diff --git a/chembl_200/CHEMBL1075104.csv b/chembl_200/CHEMBL1075104.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b416c13e87d717e1acdf8f283148b753fd6a64ac
--- /dev/null
+++ b/chembl_200/CHEMBL1075104.csv
@@ -0,0 +1,690 @@
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,5.7
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.2
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,7.5
+CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc45)nc(N4CCOCC4)c3s2)CC1,CHEMBL521851,5.6
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.5
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.0
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.5
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,6.3
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.7
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.0
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.9
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.0
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,7.05
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.7
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.7
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,7.0
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.7
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,7.8
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.85
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.8
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.8
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,8.1
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,7.0
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.3
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,5.9
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.6
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,7.2
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.1
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.8
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.9
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,6.0
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.7
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,4.5
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,7.7
+Nc1nnc2cccc(Cl)n12,CHEMBL1966799,4.0
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,7.6
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.9
+CC(=O)Nc1cc2ccccn2n1,CHEMBL1976872,4.6
+c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)cc1,CHEMBL1998953,7.7
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.4
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,7.6
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,5.7
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,5.9
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.5
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.1
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.7
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.7
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.0
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,6.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,9.2
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,7.0
+Nc1ncnc2sccc12,CHEMBL1972934,4.9
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1,CHEMBL2007559,7.4
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.8
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,6.3
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,5.4
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.6
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,4.1
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.8
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,5.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,5.8
+COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,CHEMBL235157,7.2
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.2
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.4
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.45
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.5
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,6.5
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.5
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,7.0
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.4
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,6.4
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.8
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,6.3
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,7.7
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.1
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,6.3
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.3
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.5
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.0
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.1
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.8
+O=C1Nc2ccccc2Nc2ccccc21,CHEMBL1727312,4.5
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,5.6
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.1
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.9
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.0
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,8.9
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,8.1
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.8
+CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL234085,6.7
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.9
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.1
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+C(=Cc1ccc2nccn2n1)c1ccccc1,CHEMBL1988622,5.4
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.1
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.7
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.2
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.7
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,5.1
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,6.6
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,8.6
+Cc1csc2nc(N)nn12,CHEMBL1965838,4.4
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.2
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,7.3
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,5.9
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.6
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,9.2
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.3
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.1
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.8
+Cc1ccc2c(c1)C(=O)Nc1ccccc1N2,CHEMBL1970873,4.1
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.0
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.8
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.2
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.4
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.7
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,5.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.8
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.8
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,4.4
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.4
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,6.2
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,7.5
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.0
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.8
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.0
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.4
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.6
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.8
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,6.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.4
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,5.6
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,7.1
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.5
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,5.7
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.5
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,6.1
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,7.5
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.6
+COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,CHEMBL1978713,6.0
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,9.1
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.2
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,6.2
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.2
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.6
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,6.0
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.3
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.8
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,9.5
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.0
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,5.7
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.9
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,6.8
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.8
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.9
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.2
+CN(C)CCCN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1964948,6.3
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.3
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,7.6
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.7
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.5
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,7.8
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.1
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,8.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.4
+Nc1nnc2sc3ccccc3n12,CHEMBL2001704,4.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.6
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,7.6
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.7
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,5.5
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.3
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.4
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.2
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.2
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,5.0
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,6.0
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,7.4
+COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C,CHEMBL2012582,8.22
+Cc1[nH]nc2ccnc(OC3CCCC3)c12,CHEMBL2152709,6.07
+Cn1cc(/C=C/c2[nH]nc3ccnc(OC4CCCCC4)c23)cn1,CHEMBL2152707,9.52
+CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12,CHEMBL2152708,8.62
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL2170016,8.52
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2171745,8.757
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1F,CHEMBL2171744,7.195
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL2171743,8.85
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Br)ncc1Cl,CHEMBL2171742,7.89
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2C)ncc1Cl,CHEMBL2171741,8.14
+CNc1nc(Nc2ccccc2OC(F)F)ncc1Cl,CHEMBL2171740,8.15
+CNc1nc(Nc2ccccc2Br)ncc1Cl,CHEMBL2171739,7.48
+CNc1nc(Nc2ccccc2OC)ncc1Cl,CHEMBL2171738,8.22
+CNc1nc(Nc2ccccc2C)ncc1Cl,CHEMBL2171737,7.7
+CNc1nc(Nc2ccccc2)ncc1Cl,CHEMBL2171736,7.96
+Cc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1C,CHEMBL2171747,7.7
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncc1Cl,CHEMBL2171748,8.22
+Cc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1,CHEMBL2171735,8.0
+CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178134,8.85
+CCNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F,CHEMBL2178141,8.46
+CCNc1nc(Nc2cc(F)c(C(=O)NCC(C)(C)O)cc2OC)ncc1C(F)(F)F,CHEMBL2178140,9.0
+CNc1nc(Nc2cnc(C3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178139,8.05
+CCNc1nc(Nc2cnc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178138,8.52
+CNc1nc(Nc2cc(F)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F,CHEMBL2178137,8.7
+CNc1nc(Nc2ccc(-c3nnnn3C)cc2Cl)ncc1C(F)(F)F,CHEMBL2178136,8.125
+COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1,CHEMBL2178135,9.0
+CNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178133,8.38
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F,CHEMBL2178132,7.88
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2F)ncc1C(F)(F)F,CHEMBL2178131,8.235
+CNc1nc(Nc2cc(C)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178130,8.7
+CNc1nc(Nc2cc(C)c(C(=O)N3CCOCC3)cc2Cl)ncc1C(F)(F)F,CHEMBL2178129,8.15
+CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1C(F)(F)F,CHEMBL2178127,8.495
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1C(F)(F)F,CHEMBL2178126,8.55
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178125,9.0
+CNc1nc(Nc2cc(Cl)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL2178124,8.7
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(OC)n1,CHEMBL2178123,8.3
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC)n1,CHEMBL2178142,8.015
+CNc1nc(Nc2cnn(CC(C)(C)O)c2Cl)ncc1C(F)(F)F,CHEMBL2326726,8.05
+CNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F,CHEMBL2326715,8.4
+CNc1nc(Nc2cnn(C)c2C)ncc1C(F)(F)F,CHEMBL2326714,8.7
+CNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F,CHEMBL2326713,8.1
+CNc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F,CHEMBL2326712,7.39
+CNc1nc(Nc2ccnn2C)ncc1C(F)(F)F,CHEMBL2326711,7.96
+CNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F,CHEMBL2326710,7.68
+CNc1nc(Nc2cnn(CC(C)(C)O)c2C)ncc1C(F)(F)F,CHEMBL2326725,8.05
+CNc1nc(Nc2cnn(CC(C)(C)C#N)c2C)ncc1C(F)(F)F,CHEMBL2326724,8.52
+CNc1nc(Nc2cnn(CCC#N)c2C)ncc1C(F)(F)F,CHEMBL2326723,8.22
+CNc1nc(Nc2cn(CCC#N)nc2C)ncc1C(F)(F)F,CHEMBL2326722,8.3
+CNc1nc(Nc2cnn(CCOC)c2C)ncc1C(F)(F)F,CHEMBL2326721,8.7
+CNc1nc(Nc2cn(CCOC)nc2C)ncc1C(F)(F)F,CHEMBL2326720,8.22
+CNc1nc(Nc2cnn(C(C)C)c2C)ncc1C(F)(F)F,CHEMBL2326719,8.52
+CNc1nc(Nc2cn(C(C)C)nc2C)ncc1C(F)(F)F,CHEMBL2326718,8.22
+CCn1ncc(Nc2ncc(C(F)(F)F)c(NC)n2)c1C,CHEMBL2326717,8.7
+CCn1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1,CHEMBL2326716,8.22
+COc1cc(N2CCOCC2)ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1,CHEMBL2397014,8.15
+CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F,CHEMBL3122117,8.7
+CNc1nc(Nc2cn([C@H]3CCN(C4COC4)C[C@H]3F)nc2C)ncc1C(F)(F)F,CHEMBL3122116,8.7
+CNc1nc(Nc2cnn(C3CCN(C4COC4)CC3)c2C)ncc1C(F)(F)F,CHEMBL3122122,8.4
+CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F,CHEMBL3122121,8.7
+CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F,CHEMBL3122120,8.7
+CNc1nc(Nc2cnn(C3(C#N)CC3)c2Cl)ncc1C(F)(F)F,CHEMBL3122118,8.7
+CNc1nc(Nc2cn(C3(C#N)CC3)nc2C)ncc1C(F)(F)F,CHEMBL3122115,8.52
+CNc1nc(Nc2cnn(C(C)(C)C#N)c2C)ncc1C(F)(F)F,CHEMBL3122114,9.0
+CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F,CHEMBL3122113,9.15
+CNc1nc(Nc2cnn3c2C(C)OCC3)ncc1C(F)(F)F,CHEMBL3122108,8.52
+CNc1nc(Nc2cnn3c2C(C)O[C@@H](C)C3)ncc1C(F)(F)F,CHEMBL3122107,8.22
+CNc1nc(Nc2cnn3c2COCC3)ncc1C(F)(F)F,CHEMBL3122106,8.52
+CNc1nc(Nc2cnn3c2COC(C)(C)C3)ncc1C(F)(F)F,CHEMBL3122105,9.05
+CCNc1nc(Nc2cc(C(C)(C)C#N)nn2C)ncc1C(F)(F)F,CHEMBL3122119,9.15
+CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(C(C)C)c3)c12,CHEMBL3655560,7.72
+CN1CCc2c(-c3[nH]nc4ccnc(OC5CCOCC5)c34)cccc21,CHEMBL3655561,6.31
+CNC(=O)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3655562,7.6
+C[C@H]1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCOCC4)c23)C1,CHEMBL3651729,7.47
+O=C(CCc1[nH]nc2ccnc(OC3CCCCC3)c12)N1CCC[C@H](c2ccccc2)C1,CHEMBL3651730,7.85
+O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(C2CC2)CC1,CHEMBL3651731,7.77
+c1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)cc(N2CCOCC2)n1,CHEMBL3651732,7.57
+CN1CCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)CC1,CHEMBL3651733,8.22
+c1cc2n[nH]c(C3CC3)c2c(OC2CCCCC2)n1,CHEMBL3651734,7.62
+c1cc2n[nH]c(C3CC3)c2c(OC2CCOCC2)n1,CHEMBL3651735,7.46
+CCC(C)Oc1nccc2n[nH]c(C3CC3)c12,CHEMBL3651736,7.11
+Cc1[nH]nc2ccnc(OC3CCOC3)c12,CHEMBL3651737,6.8
+c1coc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651738,6.88
+c1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651739,8.22
+c1cc2[nH]nc(-c3cnn(CC4CCC4)c3)c2c(OC2CCCCC2)n1,CHEMBL3651740,7.26
+CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(C(C)C)c3)c12,CHEMBL3651741,7.74
+CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(C(C)C)c3)c12,CHEMBL3651742,7.72
+COc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(C(C)C)c3)c12,CHEMBL3651743,7.11
+COc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12,CHEMBL3651744,7.85
+CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1,CHEMBL3651745,7.41
+CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N(C)C,CHEMBL3651746,7.35
+CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)NC1COC1,CHEMBL3651747,8.52
+O=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCOCC1,CHEMBL3651748,6.66
+FC(F)(F)COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12,CHEMBL3651749,7.51
+CC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1,CHEMBL3651750,7.59
+CC(C)n1cc(-c2n[nH]c3ccnc(OC(C)C(F)(F)F)c23)cn1,CHEMBL3651751,7.89
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)nc(N2CCOCC2)n1,CHEMBL3651752,7.19
+COc1nccc2[nH]nc(-c3cnn(C4COC4)c3)c12,CHEMBL3651753,7.51
+COc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12,CHEMBL3651754,7.6
+COc1nccc2[nH]nc(-c3cnn(CC4(C)COC4)c3)c12,CHEMBL3651755,6.97
+c1cc2[nH]nc(-c3cnn(CC4CCOCC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651756,7.96
+FC(F)(F)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1,CHEMBL3651757,8.22
+c1cc2[nH]nc(-c3cnn(C4CCOC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651758,8.3
+Cc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(C)n1,CHEMBL3651759,8.3
+COc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1,CHEMBL3651760,7.66
+Fc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1,CHEMBL3651761,7.34
+COc1cc(-c2n[nH]c3ccnc(OC)c23)ccn1,CHEMBL3651762,7.1
+COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12,CHEMBL3651763,7.54
+COc1nccc2[nH]nc(-c3ccnc(C(F)(F)F)c3)c12,CHEMBL3651764,7.12
+COc1nccc2n[nH]c(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)c12,CHEMBL3651765,6.68
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCCC2)n1,CHEMBL3651766,8.52
+CC1CCCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)C1,CHEMBL3651767,8.22
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(NC2COC2)n1,CHEMBL3651768,6.87
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCC2)n1,CHEMBL3651769,8.05
+Cn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1,CHEMBL3651770,8.0
+COc1nccc2[nH]nc(-c3ccnc(N4[C@H]5CC[C@@H]4COC5)c3)c12,CHEMBL3651771,7.1
+COc1nccc2[nH]nc(-c3ccnc(N4C[C@@H]5C[C@H]4CO5)c3)c12,CHEMBL3651772,7.29
+COc1nccc2[nH]nc(-c3ccnc(N4CCCC4)c3)c12,CHEMBL3651773,7.59
+COc1nccc2[nH]nc(-c3ccnc(-c4cnn(C)c4)c3)c12,CHEMBL3651774,7.38
+CC(C)n1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21,CHEMBL3651775,7.7
+c1cc2[nH]nc(-c3ccc4c(c3)ncn4C3COC3)c2c(OC2CCOCC2)n1,CHEMBL3651776,7.72
+c1cc2[nH]nc(-c3ccc4ncn(C5COC5)c4c3)c2c(OC2CCOCC2)n1,CHEMBL3651777,7.25
+FC1(F)CC1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21,CHEMBL3651778,7.64
+c1cc2[nH]nc(-c3ccc4ncn(C5CCOC5)c4c3)c2c(OC2CCOCC2)n1,CHEMBL3651779,7.47
+c1cc2[nH]nc(-c3ccc4c(c3)ncn4C3CCOC3)c2c(OC2CCOCC2)n1,CHEMBL3651780,8.0
+Clc1ccccc1C#Cc1[nH]nc2ccnc(OC3CCOCC3)c12,CHEMBL3651781,8.3
+O=C(c1ccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)cc1)N1CCOCC1,CHEMBL3651782,7.12
+CN(C)C(=O)c1ccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)cc1F,CHEMBL3651783,6.98
+c1cc2[nH]nc(-c3ccc4c[nH]nc4c3)c2c(OC2CCOCC2)n1,CHEMBL3651784,7.89
+c1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1,CHEMBL3651785,7.85
+Cn1ncc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21,CHEMBL3651786,7.89
+CC(C)n1cc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2n1,CHEMBL3651787,7.49
+Cn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21,CHEMBL3639506,7.44
+c1cc2[nH]cc(-c3cnn([C@@H]4CCOC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651788,8.3
+c1cc2[nH]nc(-c3cnn([C@H]4CCOC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651789,8.52
+Cc1[nH]nc2cc(C3CC3)nc(OC3CCCCC3)c12,CHEMBL3651790,6.57
+c1ccc2ncc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2c1,CHEMBL3651791,7.92
+N#CCc1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651792,7.77
+CN(C)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651793,7.3
+CC(C)NC(=O)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651794,7.11
+O=C(NC1CC1)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651795,7.57
+N#Cc1cncc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651796,6.76
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c2cc[nH]c2c1,CHEMBL3651797,6.35
+c1cc(CN2CCOCC2)cc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651798,6.97
+COc1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)ccn1,CHEMBL3651799,7.4
+c1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)ccn1,CHEMBL3651800,6.78
+CC(C)n1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)cn1,CHEMBL3651801,7.52
+CS(=O)(=O)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1,CHEMBL3651802,7.54
+COc1nccc2n[nH]c(-c3cccc(S(C)(=O)=O)c3)c12,CHEMBL3651803,7.35
+CC(C)C1=NNC(=C2N=Nc3ccnc(NC4CCOCC4)c32)N1,CHEMBL3651804,8.15
+CNC(=O)c1cccc(-c2[nH]nc3cc(C)nc(OC4CCOCC4)c23)c1,CHEMBL3651805,6.81
+Cc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651806,7.46
+COc1nccc2n[nH]c(-c3ccc(S(C)(=O)=O)cc3)c12,CHEMBL3651807,7.05
+N#Cc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1,CHEMBL3651808,6.89
+Cn1cccc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)c1=O,CHEMBL3651809,8.15
+CC(Oc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12)C(F)(F)F,CHEMBL3651810,7.8
+COCCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12,CHEMBL3651811,7.64
+O=C1OCCN1CCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12,CHEMBL3651812,6.45
+CC(C)n1cc(-c2n[nH]c3ccnc(OCCN4CCOC4=O)c23)cn1,CHEMBL3651813,6.49
+COc1nccc2[nH]nc(-c3cnn(C4CCOCC4)c3)c12,CHEMBL3651814,7.48
+COC(=O)c1[nH]nc2ccnc(NC3CCOCC3)c12,CHEMBL3651815,7.0
+c1cc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c(OC2CCOCC2)n1,CHEMBL3651816,7.89
+Cc1[nH]nc2ccnc(NC3CCOCC3)c12,CHEMBL3651817,6.89
+c1cc(-c2n[nH]c3ccnc(OC4CCOC4)c23)cc(N2CCOCC2)n1,CHEMBL3651818,7.89
+c1cncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1,CHEMBL3655539,7.68
+c1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)ccn1,CHEMBL3655540,7.59
+c1ncc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1,CHEMBL3655541,7.34
+N#Cc1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1,CHEMBL3655542,8.05
+N#Cc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cc1,CHEMBL3655543,7.6
+CN(C)C(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1,CHEMBL3655544,7.74
+c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(-c2cn[nH]c2)n1,CHEMBL3655545,7.92
+CC(=O)Nc1ccccc1-c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1,CHEMBL3655546,7.18
+CC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1,CHEMBL3655547,7.68
+CC(=O)Nc1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1,CHEMBL3655548,8.0
+CC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cc1,CHEMBL3655549,7.96
+CNC(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1,CHEMBL3639544,7.82
+CN(C)C(=O)c1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cc1,CHEMBL3655550,8.05
+CCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1,CHEMBL3655551,7.92
+CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(C(C)C)c3)c12,CHEMBL3655552,8.22
+CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCC1,CHEMBL3655553,8.1
+CC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12,CHEMBL3655554,6.42
+O=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCCC1,CHEMBL3655555,6.12
+CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOC4)c23)cn1,CHEMBL3655556,8.15
+COc1nccc2[nH]nc(-c3cnn(C4CCOC4)c3)c12,CHEMBL3655557,7.64
+CNC(=O)c1cccc(-c2[nH]nc3cc(C)nc(OC)c23)c1,CHEMBL3655558,6.7
+COc1nccc2[nH]nc(-c3ccnc(N4C[C@H](C)O[C@H](C)C4)c3)c12,CHEMBL3655559,7.6
+CNc1nc(Nc2ccc(-c3nn[nH]n3)cc2Cl)ncc1C(F)(F)F,CHEMBL3676107,8.52
+CNc1nc(Nc2ccc(-c3nnn(C)n3)cc2Cl)ncc1C(F)(F)F,CHEMBL3676108,7.74
+CNc1nc(Nc2ccc(-n3cncn3)cc2OC)ncc1C(F)(F)F,CHEMBL3676109,8.52
+CNc1nc(Nc2ccc(-c3cnn(C)c3)cc2OC)ncc1C(F)(F)F,CHEMBL3676110,8.4
+CNc1nc(Nc2cc(F)c(-c3nc(C)no3)cc2OC)ncc1C(F)(F)F,CHEMBL3676111,7.49
+CNc1nc(Nc2cc(OC)c(-c3nnc(C)o3)cc2Cl)ncc1C(F)(F)F,CHEMBL3676112,8.1
+CNc1nc(Nc2ccc(-c3cncn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3676113,8.7
+CNc1nc(Nc2ccc(-c3nnnn3C)cc2OC)ncc1Cl,CHEMBL3676114,8.15
+CNc1nc(Nc2cc(OC)c(-c3cnnn3C)cc2Cl)ncc1C(F)(F)F,CHEMBL3676115,8.4
+CNc1nc(Nc2ccc(-c3cnoc3)cc2OC)ncc1Cl,CHEMBL3676116,7.82
+CNc1nc(Nc2ccc(-c3nccn3C)cc2OC)ncc1Cl,CHEMBL3676117,8.15
+CNc1nc(Nc2ccc(-c3cncn3C)cc2OC)ncc1Cl,CHEMBL3676118,8.7
+CNc1nc(Nc2ccc(-c3cnnn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3676119,8.7
+CNc1nc(Nc2ccc(-c3nnn(C)n3)cc2OC)ncc1C(F)(F)F,CHEMBL3676120,8.0
+CNc1nc(Nc2cc(OC)c(-c3nccn3C)cc2Cl)ncc1C(F)(F)F,CHEMBL3676121,8.52
+CNc1nc(Nc2ccc(-c3nnnn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3676122,8.52
+CNc1nc(Nc2cc(OC)c(-c3cncn3C)cc2Cl)ncc1C(F)(F)F,CHEMBL3676123,8.52
+CNc1nc(Nc2cc(F)c(-c3nnnn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3676124,8.0
+CNc1nc(Nc2ccc(-c3cnnn3C)cc2OC)ncc1Cl,CHEMBL3676125,8.52
+CNc1nc(Nc2cc(OC)c(-c3c(C)nn(C)c3C)cc2Cl)ncc1C(F)(F)F,CHEMBL3681028,8.52
+CNc1nc(Nc2ccc(-c3ccnn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681029,9.0
+CNc1nc(Nc2ccc(-c3c(C)noc3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681030,9.0
+CNc1nc(Nc2ccc(-n3cnnn3)cc2OC)ncc1C(F)(F)F,CHEMBL3681031,8.7
+CNc1nc(Nc2cc(OC)c(-c3ccnn3C)cc2Cl)ncc1C(F)(F)F,CHEMBL3681032,8.3
+CCNc1nc(Nc2cc(F)c(-c3nnc(C)o3)cc2OC)ncc1C(F)(F)F,CHEMBL3681033,8.15
+CNc1nc(Nc2cc(F)c(-c3nnc(C)o3)cc2OC)ncc1C(F)(F)F,CHEMBL3681034,7.92
+CNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1C(F)(F)F,CHEMBL3681035,7.39
+CNc1nc(Nc2cc(OC)c(-c3cnn(C)c3)cc2Cl)ncc1C(F)(F)F,CHEMBL3681036,7.96
+CNc1nc(Nc2ccc(-c3nnc(C)o3)cc2Cl)ncc1Cl,CHEMBL3681037,7.52
+CNc1nc(Nc2ccc(-c3nc(C)no3)cc2Cl)ncc1Cl,CHEMBL3681038,7.1
+CNc1nc(Nc2ccc(-c3cnn(C)c3)cc2OC)ncc1Cl,CHEMBL3681039,8.7
+CNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1Cl,CHEMBL3681040,7.36
+CNc1nc(Nc2cc(OC)c(-c3nnc(C)o3)cc2Cl)ncc1Cl,CHEMBL3681041,7.92
+CNc1nc(Nc2ccc(-c3cn(C)nc3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681042,8.7
+CNc1nc(Nc2ccc(-c3cnn(C)c3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681043,8.52
+CNc1nc(Nc2ccc(-c3nncn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681044,8.7
+CNc1nc(Nc2cc(F)c(-c3cnn(C)c3C(=O)N(C)C)cc2OC)ncc1C(F)(F)F,CHEMBL3681045,9.0
+CNc1nc(Nc2cc(F)c(-n3nnnc3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681046,8.52
+CNc1nc(Nc2cc(F)c(-c3cnnn3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681047,8.7
+CNc1nc(Nc2cc(F)c(-c3cnn(C4COC4)c3)cc2OC)ncc1C(F)(F)F,CHEMBL3681048,8.0
+CNc1nc(Nc2cc(C)c(-n3nnnc3C)cc2OC)ncc1C(F)(F)F,CHEMBL3681049,9.0
+CNc1nc(Nc2cc(C)c(-n3nnnc3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3681050,9.0
+CNc1nc(Nc2cc(F)c(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3681051,8.3
+CNc1nc(Nc2ccc(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3681052,8.0
+CNc1nc(Nc2cc(F)c(-n3nnnc3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3681053,8.4
+CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)CCO3)ncc1C(F)(F)F,CHEMBL3694794,8.52
+CNc1nc(Nc2cc3c(cc2OC)N(C)C(=O)C(C)(C)O3)ncc1Cl,CHEMBL3694795,9.0
+CNc1nc(Nc2cc3oc(C(=O)N(C)C)cc3cc2OC)ncc1C(F)(F)F,CHEMBL3694796,9.0
+CNc1nc(Nc2cc3c(cc2Cl)n(C)c(=O)n3C)ncc1C(F)(F)F,CHEMBL3694797,8.7
+CNc1nc(Nc2cc3oc(=O)n(C)c3cc2Cl)ncc1C(F)(F)F,CHEMBL3694798,8.55
+CNc1nc(Nc2cc3nc(C)oc3cc2Cl)ncc1C(F)(F)F,CHEMBL3694799,8.3
+CNc1nc(Nc2cc3c(cc2OC)CN(C)C3=O)ncc1C(F)(F)F,CHEMBL3694800,8.3
+CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1Cl,CHEMBL3694801,8.52
+CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1C(F)(F)F,CHEMBL3694802,9.0
+CNc1nc(Nc2ccc3c(c2OC)CN(C2CC2)C3=O)ncc1C(F)(F)F,CHEMBL3694803,8.15
+CNc1nc(Nc2ccc3c(c2OC)CN(C)C3=O)ncc1C(F)(F)F,CHEMBL3694804,9.0
+CNc1nc(Nc2cc3c(cc2OC)N(C)C(=O)C(C)(C)O3)ncc1C(F)(F)F,CHEMBL3694805,8.1
+CNc1nc(Nc2cc3oc(=O)[nH]c3cc2Cl)ncc1Cl,CHEMBL3694806,8.4
+CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)CC3)ncc1C(F)(F)F,CHEMBL3694807,8.15
+CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)CC3)ncc1C#N,CHEMBL3694808,7.36
+CNc1nc(Nc2cc3cnn(C)c(=O)c3cc2OC)ncc1C(F)(F)F,CHEMBL3694809,7.57
+CCN1Cc2c(ccc(Nc3ncc(C(F)(F)F)c(NC)n3)c2OC)C1=O,CHEMBL3694810,8.05
+CNc1nc(Nc2ccc3c(c2OC)CN(C(C)(C)O)C3=O)ncc1C(F)(F)F,CHEMBL3694811,8.4
+CNc1nc(Nc2ccc3c(c2OC)CN(C2COC2)C3=O)ncc1C(F)(F)F,CHEMBL3694812,8.05
+CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)C3)ncc1C(F)(F)F,CHEMBL3694813,8.3
+CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCOCC2)cn3C)ncc1C(F)(F)F,CHEMBL3694814,8.52
+CNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F,CHEMBL3694815,8.0
+CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C2COC2)C3)ncc1C(F)(F)F,CHEMBL3694816,8.22
+CCNc1nc(Nc2cc3c(cc2OC)C(=O)N(C2COC2)C3)ncc1C(F)(F)F,CHEMBL3694817,8.7
+CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N(C)C)cn3C)ncc1C(F)(F)F,CHEMBL3694818,8.22
+CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCNCC2)cn3C)ncc1C(F)(F)F,CHEMBL3694819,8.4
+CCNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCOCC2)cn3C)ncc1C(F)(F)F,CHEMBL3694820,9.0
+CNc1nc(Nc2cc3c(cc2OC)c(C(=O)N2CCOCC2)cn3C)ncc1C(F)(F)F,CHEMBL3694821,9.0
+CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2CCN(C)CC2)cn3C)ncc1C(F)(F)F,CHEMBL3694822,9.0
+CCN1CCN(C(=O)c2cn(C)c3cc(Nc4ncc(C(F)(F)F)c(NC)n4)c(Cl)cc23)CC1,CHEMBL3694823,9.0
+CNc1nc(Nc2cc3c(cc2Cl)c(C(=O)N2C[C@@H]4C[C@H]2CO4)cn3C)ncc1C(F)(F)F,CHEMBL3694824,8.52
+CNc1nc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2OC)ncc1F,CHEMBL3641768,7.35
+CNc1nc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1Cl,CHEMBL3641769,8.21
+CNc1nc(Nc2ccc(C(=O)NC3CC3)cc2OC)ncc1Cl,CHEMBL3641770,8.62
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(F)F)ncc1Cl,CHEMBL3641771,4.31
+CNc1nc(Nc2ccc(C(=O)N3CCN4CCCCC4C3)cc2OC)ncc1Cl,CHEMBL3641772,8.46
+CNc1nc(Nc2ccc(C(=O)N3CC(C)CC(C)C3)cc2OC)ncc1Cl,CHEMBL3641773,8.21
+CNc1nc(Nc2ccc(C(=O)N3CCCCC3)cc2OC)ncc1Cl,CHEMBL3641774,8.6
+CNc1nc(Nc2ccc(C(=O)N3CCC3)cc2OC)ncc1Cl,CHEMBL3641775,8.28
+CNc1nc(Nc2ccc(C(=O)N3CCC(F)(F)CC3)cc2OC)ncc1Cl,CHEMBL3641776,8.52
+CNc1nc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2OC)ncc1Cl,CHEMBL3641777,8.47
+CNc1nc(Nc2ccc(C(=O)N3CCCC(C(F)(F)F)C3)cc2OC)ncc1Cl,CHEMBL3641778,8.55
+CNc1nc(Nc2ccc(C(=O)N3CCCC3C)cc2OC)ncc1Cl,CHEMBL3641779,8.42
+CNc1nc(Nc2ccc(C(=O)N3CCCC3)cc2OC)ncc1Cl,CHEMBL3641780,8.33
+CNc1nc(Nc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2OC)ncc1Cl,CHEMBL3641781,8.44
+CCC1(CC)CN(C(=O)c2ccc(Nc3ncc(Cl)c(NC)n3)c(OC)c2)CCO1,CHEMBL3641782,8.26
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3CO)cc2OC)ncc1Cl,CHEMBL3641783,8.36
+CNc1nc(Nc2ccc(C(=O)N3CCOC(CC(C)C)C3)cc2OC)ncc1Cl,CHEMBL3641784,8.38
+CNc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2OC)ncc1Cl,CHEMBL3641785,8.55
+CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC)n1,CHEMBL3641786,8.37
+CNc1nc(Nc2ccc(C(N)=O)cc2OC)ncc1Cl,CHEMBL3641787,8.29
+CNc1nc(Nc2ccc(C(=O)NC(C)C)cc2OC)ncc1Cl,CHEMBL3641788,8.7
+CNc1nc(Nc2ccc(C(=O)N3C4CCC3COC4)cc2OC)ncc1Cl,CHEMBL3639406,8.6
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC(C)C)n1,CHEMBL3641789,7.89
+CNc1nc(Nc2ccc(C(=O)N3CC4CC3CO4)cc2OC)ncc1Cl,CHEMBL3641790,8.35
+CNc1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)cc2OC)ncc1Cl,CHEMBL3641791,8.7
+CNc1nc(Nc2ccc(C(=O)NCCCN)cc2OC)ncc1Cl,CHEMBL3641792,8.64
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C1CC1,CHEMBL3641793,7.245
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCC(C)C)n1,CHEMBL3641794,8.4
+CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2OC)ncc1Cl,CHEMBL3641795,8.66
+CNc1nc(Nc2ccc(C(=O)N3CCC(C(C)(C)O)CC3)cc2OC)ncc1Br,CHEMBL3641796,8.62
+CNc1nc(Nc2ccc(C(=O)N3CCC(C(F)(F)F)C3)cc2OC)ncc1Br,CHEMBL3641797,8.19
+CNc1nc(Nc2ccc(C(=O)N3CCC(C#N)CC3)cc2OC)ncc1Br,CHEMBL3641798,8.39
+CNc1nc(Nc2ccc(C(=O)N3CCN(C4CCC4)CC3)cc2OC)ncc1Br,CHEMBL3641799,8.64
+CNc1nc(Nc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2OC)ncc1Br,CHEMBL3641800,8.42
+CNc1nc(Nc2ccc(C(=O)N3CCC(OC)CC3)cc2OC)ncc1Br,CHEMBL3641801,8.62
+CNc1nc(Nc2ccc(C(=O)N3CC[C@@H](O)C3)cc2OC)ncc1Br,CHEMBL3641802,8.29
+CNc1nc(Nc2ccc(C(=O)N3CCN(C4COC4)CC3)cc2OC)ncc1Br,CHEMBL3641803,8.1
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(C)C)ncc1Cl,CHEMBL3641804,7.81
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCC2CC2)n1,CHEMBL3641805,8.57
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC2CCC2)n1,CHEMBL3641806,8.82
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2O)ncc1Cl,CHEMBL3641807,7.54
+CCN1CCN(C(=O)c2ccc(Nc3ncc(Br)c(OC)n3)c(OC)c2)CC1,CHEMBL3641808,8.6
+COc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2CCC2)ncc1Br,CHEMBL3641809,8.55
+CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL3641810,8.6
+COc1cc(C(=O)N2CC(N3CCOCC3)C2)ccc1Nc1ncc(Br)c(OC)n1,CHEMBL3641811,8.3
+CNc1nc(Nc2ccc(C(=O)N3CC(N4CCOCC4)C3)cc2OC)ncc1Cl,CHEMBL3641812,8.57
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC2(C)CCC2)n1,CHEMBL3641813,8.62
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCC2CCOC2)n1,CHEMBL3641814,7.85
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(I)c(OC)n1,CHEMBL3641815,8.68
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCCC2CC2)n1,CHEMBL3641816,8.74
+COCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL3641817,8.03
+COCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCC(F)(F)F)ncc1Cl,CHEMBL3641818,8.02
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)ncc1Cl,CHEMBL3641819,8.22
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1OC,CHEMBL3641820,6.59
+COCCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL3641821,8.24
+CNc1nc(Nc2cc(OC)c(C(=O)N(C)C)cc2Cl)ncc1Cl,CHEMBL3641822,7.93
+CNc1nc(Nc2cc(OC)c(C(N)=O)cc2Cl)ncc1Cl,CHEMBL3641823,8.03
+CNc1nc(Nc2cc(OC)c(C(=O)NCCO)cc2Cl)ncc1Cl,CHEMBL3641824,7.96
+CNC(=O)c1cc(Cl)c(Nc2ncc(Cl)c(NC)n2)cc1OC,CHEMBL3641825,7.95
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(F)(F)CC3)cc2Cl)ncc1Cl,CHEMBL3641826,8.11
+CCNc1nc(Nc2cc(OC)c(C(=O)NC3CC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641827,8.46
+CCNc1nc(Nc2cc(OC)c(C(=O)NCCOC)cc2Cl)ncc1C(F)(F)F,CHEMBL3641828,8.03
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCNCC3)cc2Cl)ncc1Cl,CHEMBL3641829,8.05
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(N(C)C)CC3)cc2Cl)ncc1Cl,CHEMBL3641830,8.55
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(O)C3)cc2Cl)ncc1Cl,CHEMBL3641831,8.07
+CNc1nc(Nc2cc(OC)c(C(=O)NC3COC3)cc2Cl)ncc1Cl,CHEMBL3641832,7.56
+CNc1nc(Nc2cc(OC)c(C(=O)NC3CC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641833,8.28
+CNc1nc(Nc2cc(OC)c(C(=O)NC3CCN(C)CC3)cc2Cl)ncc1Cl,CHEMBL3641834,8.35
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCCC3)cc2Cl)ncc1Cl,CHEMBL3641835,8.13
+CNc1nc(Nc2cc(OC)c(C(=O)NC(C)(C)C)cc2Cl)ncc1Cl,CHEMBL3641836,7.55
+CNc1nc(Nc2cc(OC)c(C(=O)N(C)C)cc2Cl)ncc1C(F)(F)F,CHEMBL3641837,8.17
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(O)CC3)cc2Cl)ncc1Cl,CHEMBL3641838,8.44
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOC(CO)C3)cc2Cl)ncc1Cl,CHEMBL3641839,8.16
+CNc1nc(Nc2cc(OC)c(C(=O)N(C)CCO)cc2Cl)ncc1Cl,CHEMBL3641840,8.11
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCCOCC3)cc2Cl)ncc1Cl,CHEMBL3641841,8.24
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(C#N)CC3)cc2Cl)ncc1Cl,CHEMBL3641842,8.48
+CNc1nc(Nc2cc(OC)c(C(=O)N3CC(O)C3)cc2Cl)ncc1Cl,CHEMBL3641843,8.27
+CNc1nc(Nc2cc(OC)c(C(=O)NC3(C#N)CC3)cc2Cl)ncc1Cl,CHEMBL3641844,7.86
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(C#N)C3)cc2Cl)ncc1Cl,CHEMBL3641845,8.35
+CNc1nc(Nc2cc(OC)c(C(=O)N3C[C@H](C)N[C@H](C)C3)cc2Cl)ncc1Cl,CHEMBL3641846,7.48
+CNc1nc(Nc2cc(OC)c(C(=O)NC3CCN(C)CC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641847,8.82
+CNc1nc(Nc2cc(OC)c(C(=O)NC3COC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641848,8.39
+CNc1nc(Nc2cc(OC)c(C(=O)NCC(C)(C)O)cc2Cl)ncc1C(F)(F)F,CHEMBL3641849,8.1
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCNCC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641850,8.39
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(C#N)C3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641851,8.54
+CNc1nc(Nc2cc(F)c(C(=O)N3CCC(C#N)C3)cc2OC)ncc1C(F)(F)F,CHEMBL3641852,8.74
+CNC(=O)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(NC)n2)cc1F,CHEMBL3641853,8.33
+CNc1nc(Nc2cc(OC)c(C(=O)N(C)CC(C)(C)O)cc2Cl)ncc1C(F)(F)F,CHEMBL3641854,8.2
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C2CC2)c(OC)n1,CHEMBL3641855,7.05
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(C)=O,CHEMBL3641856,7.17
+COCCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL3641857,8.16
+COCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(C)C)ncc1Br,CHEMBL3641858,7.87
+COCCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2CCC2)ncc1Cl,CHEMBL3641859,7.84
+CNc1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)cc2OC2CCCC2)ncc1Cl,CHEMBL3641860,8.2
+CNc1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)cc2OC)ncc1Cl,CHEMBL3641861,8.2
+CNc1nc(Nc2ccc(C(=O)N3CC(F)(F)OC(F)(F)C3)cc2OC)ncc1C#N,CHEMBL3641862,7.68
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2C2CC2)ncc1Cl,CHEMBL3641863,7.62
+CNc1nc(Nc2ccc(C(=O)NC3CC(F)(F)C3)cc2OC)ncc1C#N,CHEMBL3641864,8.19
+CNc1nc(Nc2ccc(C(=O)NCC3CC3)cc2OC)ncc1C#N,CHEMBL3641865,8.38
+CNc1nc(Nc2ccc(C(=O)N3CC[C@H](F)C3)cc2OC)ncc1C#N,CHEMBL3641866,8.125
+CNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1,CHEMBL3641867,8.18
+CCN(CC)C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1,CHEMBL3641868,8.17
+CNc1nc(Nc2ccc(C(=O)NC(C)C)cc2OC)ncc1C#N,CHEMBL3641869,8.36
+CCNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1,CHEMBL3641870,8.02
+CNc1nc(Nc2ccc(C(=O)N3CCCCC3)cc2OC)ncc1C#N,CHEMBL3641871,8.48
+CNc1nc(Nc2ccc(C(=O)NCC(F)F)cc2OC)ncc1C#N,CHEMBL3641872,7.92
+CNc1nc(Nc2ccc(C(=O)NC(C)(C)C)cc2OC)ncc1C#N,CHEMBL3641873,8.34
+CCN(C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1)C(C)C,CHEMBL3641874,8.27
+CNc1nc(Nc2ccc(C(=O)N3CCC(F)(F)C3)cc2OC)ncc1C#N,CHEMBL3641875,8.09
+CNc1nc(Nc2ccc(C(=O)N3CCC3)cc2OC)ncc1C#N,CHEMBL3641876,7.58
+CNc1nc(Nc2ccc(C(=O)N(C)C(C)C)cc2OC)ncc1C#N,CHEMBL3641877,8.17
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC2CCOC2)n1,CHEMBL3641878,7.74
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(C)C)ncc1C(F)(F)F,CHEMBL3641879,8.03
+CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(NC)n1,CHEMBL3641880,8.38
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2CC2)ncc1Cl,CHEMBL3641881,8.7
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2CC2)ncc1Br,CHEMBL3641882,8.6
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCCS(C)(=O)=O)n1,CHEMBL3641883,7.58
+CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL3641884,8.47
+CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL3641885,8.06
+CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL3641886,8.05
+CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL3641887,8.28
+COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(OC)n1,CHEMBL3639407,8.25
+CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL3641888,8.43
+CNc1nc(Nc2cc(OC)c(C(=O)NCCCN)cc2Cl)ncc1Cl,CHEMBL3641889,8.42
+COCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL3641890,8.39
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NCC(C)OC)n1,CHEMBL3641891,8.02
+CNc1nc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2C)ncc1Cl,CHEMBL3641892,8.21
+CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2F)ncc1C(F)(F)F,CHEMBL3641895,8.85
+CCNc1nc(Nc2cc(F)c(C(=O)N(C)C)cc2OC)ncc1C#N,CHEMBL3641896,8.01
+CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F,CHEMBL3641897,8.74
+CCNc1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)c(F)c2OC)ncc1C(F)(F)F,CHEMBL3641898,8.55
+CNc1nc(Nc2ccc(C(=O)N3C[C@H](F)[C@@H](F)C3)cc2OC)ncc1C#N,CHEMBL3641899,7.87
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCC(OC)C3)cc2Cl)ncc1C(F)(F)F,CHEMBL3641900,8.3
+CNc1nc(Nc2cc(F)c(C(=O)N3CCC(OC)C3)cc2OC)ncc1C(F)(F)F,CHEMBL3641901,8.57
+CNc1nc(Nc2cc(F)c(C(=O)N(C)CC(C)(C)O)cc2OC)ncc1C(F)(F)F,CHEMBL3641902,8.04
+CNc1nc(Nc2cc(F)c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2OC)ncc1C(F)(F)F,CHEMBL3641903,8.1
+CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(C)C)ncc1C(F)(F)F,CHEMBL3641904,8.35
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(N2CCCCC2)n1,CHEMBL3641905,7.92
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(N2CCCC2)n1,CHEMBL3641906,7.75
+CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F,CHEMBL3641907,8.7
+CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1Cl,CHEMBL3643944,8.3
+COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(OC)n1,CHEMBL3643945,7.72
+COc1cc(Nc2ncc(Cl)c(OC)n2)c(Cl)cc1C(=O)N1CCOCC1,CHEMBL3643946,7.33
+COc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)ncc1Cl,CHEMBL3643947,7.33
+COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(OC)n1,CHEMBL3643948,7.62
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(OC)n1,CHEMBL3643949,7.7
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC2CCOCC2)n1,CHEMBL3643950,7.48
+CNc1nc(Nc2cc(OC)c(C(=O)NC3(C#N)CC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3643952,8.38
+CNC(=O)c1cc(Cl)c(Nc2ncc(C(F)(F)F)c(NC)n2)cc1OC,CHEMBL3643953,8.34
+CNc1nc(Nc2cc(OC)c(C(=O)N3CC(C)OC(C)C3)cc2Cl)ncc1C(F)(F)F,CHEMBL3643954,8.1
+O=C(c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)c(Br)c1)N1CCOCC1,CHEMBL3643955,7.72
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2CCC2)ncc1C(F)(F)F,CHEMBL3643956,8.6
+CNc1nc(Nc2ccc(C(=O)N3CC(F)(F)C3)cc2OC)ncc1C(F)(F)F,CHEMBL3643957,8.82
+CNc1nc(Nc2ccc(C(=O)NC3COC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643958,8.43
+CNc1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)cc2OC)ncc1C(F)(F)F,CHEMBL3643959,8.77
+CNc1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)cc2OC)ncc1C(F)(F)F,CHEMBL3643960,8.48
+CNc1nc(Nc2ccc(C(=O)N3CCCC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643961,8.39
+CCN(CC)C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NC)n2)c(OC)c1,CHEMBL3643962,8.48
+CNc1nc(Nc2ccc(C(=O)N3CCC(N(C)C)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643963,9.1
+CNc1nc(Nc2ccc(C(=O)N3CC(C)OC(C)C3)cc2OC)ncc1C(F)(F)F,CHEMBL3643964,8.31
+CNc1nc(Nc2ccc(C(=O)N3CCC(C#N)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643965,8.77
+CNc1nc(Nc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643966,8.7
+CNc1nc(Nc2ccc(C(=O)N3CCC(OC)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3639428,8.8
+CNc1nc(Nc2ccc(C(=O)NCCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643967,8.64
+CNc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643968,9.22
+CNc1nc(Nc2ccc(C(=O)NC3CCC(F)(F)CC3)cc2OC)ncc1C(F)(F)F,CHEMBL3643969,8.96
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC2COC2)ncc1Cl,CHEMBL3643970,7.89
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCC2CC2)ncc1C(F)(F)F,CHEMBL3643971,8.19
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCC2CCC2)ncc1C(F)(F)F,CHEMBL3643972,8.28
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1Br,CHEMBL3643973,8.59
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2C2CC2)ncc1C(F)(F)F,CHEMBL3643974,7.7
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Br)ncc1C(F)(F)F,CHEMBL3643975,8.12
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)ncc1C(F)(F)F,CHEMBL3643976,7.77
+CNc1nc(Nc2cc(Cl)c(C(=O)N3CCOCC3)cc2OC)ncc1Cl,CHEMBL3643977,8.57
+COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(Br)c(OC)n1,CHEMBL3643978,8.03
+CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1Cl,CHEMBL3643979,8.22
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1C(F)(F)F,CHEMBL3643951,8.62
+COc1cc(C(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(OC)n1,CHEMBL3643980,8.22
+CCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NC)n1,CHEMBL3643981,8.05
+CNc1nc(Nc2ccc(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643982,8.29
+CCNc1nc(Nc2ccc(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643983,8.64
+CNc1nc(Nc2cc(F)c(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643984,8.23
+CCNc1nc(Nc2cc(F)c(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643985,8.8
+CNc1nc(Nc2cc(F)c(C(=O)N3CCC[C@H]3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3643986,8.52
+CCNc1nc(Nc2cc(F)c(C(=O)N3CCC[C@H]3COC)cc2OC)ncc1C(F)(F)F,CHEMBL3643987,9.22
+CCNc1nc(Nc2cc(F)c(C(=O)N(CC)CCOC)cc2OC)ncc1C(F)(F)F,CHEMBL3643988,8.85
+CCN(CCOC)C(=O)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(NC)n2)cc1F,CHEMBL3643989,8.46
+CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OCC)ncc1C(F)(F)F,CHEMBL3643990,8.68
+COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C#N)c(OC)n1,CHEMBL3643991,6.86
+CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C#N,CHEMBL3643992,8.19
+CNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C#N,CHEMBL3643993,7.95
+CNc1nc(Nc2cc(F)c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2OC)ncc1C#N,CHEMBL3643994,7.43
+CCNc1nc(Nc2cc(F)c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2OC)ncc1C#N,CHEMBL3643995,7.71
+CNc1nc(Nc2cc(F)c(C(=O)N(C)C)cc2OC)ncc1C#N,CHEMBL3643996,7.2
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC(c1ccc(F)cc1)C2,CHEMBL3800174,6.805
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC(c1cccc(F)c1)C2,CHEMBL3799749,5.635
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@H](c1ccccc1)C2,CHEMBL3798994,7.1
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](c1ccccc1)C2,CHEMBL3800284,6.975
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC(C(F)(F)F)C2,CHEMBL3798426,6.5
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC(C)C2,CHEMBL3797214,6.08
+CCCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL3798143,5.465
+CC1(C)CC(=O)c2c(OC3CCCC3)sc(-c3cc[nH]n3)c2C1,CHEMBL3799606,6.42
+O=C1CCCc2c(-c3cc[nH]n3)sc(SC3CCCC3)c21,CHEMBL3800214,6.445
+CC1(C)CC(=O)c2c(SCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL17466,6.455
+CC1(C)CC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c2C1,CHEMBL3799665,6.82
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL274281,6.78
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL275645,6.725
+CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cc[nH]n3)c2C1,CHEMBL3798316,5.35
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CCC2,CHEMBL3799347,6.615
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL17354,6.525
+CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c21,CHEMBL3797298,7.395
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@@H]2CC,CHEMBL3797431,7.345
+C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c21,CHEMBL3800405,7.275
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@@H]2C,CHEMBL3797869,7.245
+O=C1NCCc2c(-c3ccn[nH]3)sc(Sc3ccccc3)c21,CHEMBL3797335,5.575
+O=C1NCCc2c(-c3cc[nH]n3)sc(SC3CC3)c21,CHEMBL3797243,6.365
+O=C1NCCc2c(-c3cc[nH]n3)sc(SC3CCCCC3)c21,CHEMBL3799457,6.235
+O=C1NCCc2c(-c3cc[nH]n3)sc(SC3CCCC3)c21,CHEMBL3797718,6.44
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)NCC2,CHEMBL3800268,6.13
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)NCC2,CHEMBL3799978,6.345
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)NCC2,CHEMBL3799336,6.345
+CSc1sc(-c2ccn[nH]2)c2c1C(=O)N(c1ccccc1)CC2,CHEMBL3797617,5.49
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)N(C)CC2,CHEMBL3797366,5.425
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@H]2Cc1ccccc1,CHEMBL3797518,6.635
+CC[C@@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c21,CHEMBL3799852,5.995
+CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c21,CHEMBL3800129,7.215
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@H]2C,CHEMBL3799972,6.33
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@@H]2C,CHEMBL3798802,6.615
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC1(CCCC1)C2,CHEMBL3797394,6.52
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC1(CCC1)C2,CHEMBL3798436,6.735
+CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,CHEMBL17603,5.26
+COCC1Cc2c(-c3cc[nH]n3)sc(SC)c2C(=O)N1,CHEMBL3797308,6.47
diff --git a/chembl_200/CHEMBL1800.csv b/chembl_200/CHEMBL1800.csv
new file mode 100644
index 0000000000000000000000000000000000000000..106b39abc9aa03f9017f3230a72197d607b99116
--- /dev/null
+++ b/chembl_200/CHEMBL1800.csv
@@ -0,0 +1,1305 @@
+CCCCN(CC)c1nc(C)nc2c1n(CC1CC1)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL174213,6.93
+CCCCN(CC)c1nc(C)nc2c1nc(OCC1CC1)n2-c1ccc(C(C)C)cc1Br,CHEMBL178272,7.51
+CCCN(CC1CC1)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C,CHEMBL369700,8.21
+CCCCN(CC)c1cc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL171893,8.52
+COCCN(CCOC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C,CHEMBL176707,6.16
+COCCN(Cc1ccccc1)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL367920,7.58
+CCCCN(CC)c1nc(C)nc2c1nc(Cl)n2-c1ccc(C(C)C)cc1Br,CHEMBL368772,8.82
+COCCN(CCOC)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL172544,6.89
+CCCCN(CC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C,CHEMBL173074,6.91
+CCN(CCOC)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL172606,7.32
+CCCCN(CC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C,CHEMBL173196,8.36
+CCCCN(CC)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL297170,8.3
+CCCN(CCC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C,CHEMBL173780,6.59
+CCCCC(CC)Nc1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL177310,7.82
+CCC(COC)Nc1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL176721,7.37
+CCCN(CC1CC1)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)nc1C,CHEMBL173624,6.95
+CCCN(CCC)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL426044,8.12
+CCCCN(CC)c1nc(C)nc2c1nc(OC)n2-c1ccc(C(C)C)cc1Br,CHEMBL367253,8.82
+CCCCN(CC)c1nc(C)nc2c1[nH]c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL426026,6.05
+COCCNc1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL176937,5.93
+COCCN(CC1CC1)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL172358,7.91
+CCCN(CC1CC1)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL435345,8.24
+CCCCC(CC)Nc1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C,CHEMBL369371,7.76
+CCCCN(CC)c1nc(C)nc2c1nc(N1CCOCC1)n2-c1ccc(C(C)C)cc1Br,CHEMBL355803,6.46
+CCCCN(CC)c1nc(C)cc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL176176,6.33
+COCC(COC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL44698,8.745
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL10504,8.43
+CCN(c1nc(C)cc(-c2ccccn2)n1)c1c(Br)cc(OC)cc1OC,CHEMBL416882,6.65
+CCN(c1nc(C)cc(-c2ccccc2C(=O)O)n1)c1ccc(C(C)C)cc1Br,CHEMBL274439,5.45
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)=O)cc1Br,CHEMBL436978,8.34
+CCN(c1nc(C)cc(-c2ccccc2F)n1)c1ccc(C(C)C)cc1Br,CHEMBL274081,7.63
+CCN(c1nc(C)cc(-c2cccc3ccccc23)n1)c1ccc(C(C)C)cc1Br,CHEMBL276184,8.11
+CCN(c1nc(C)cc(-c2ccccc2)n1)c1ccc(C(C)C)cc1Br,CHEMBL10150,6.96
+CCN(c1nc(C)cc(-c2ccccc2-c2ccccc2)n1)c1ccc(C(C)C)cc1Br,CHEMBL10189,8.08
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(SC)cc1Br,CHEMBL274578,8.6
+CCN(c1nc(C)cc(-c2c(Cl)cccc2Cl)n1)c1ccc(C(C)C)cc1Br,CHEMBL10208,8.0
+CCCN(CCC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL10203,8.05
+CCN(c1nc(C)cc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C(C)C)cc1Br,CHEMBL9975,7.76
+CCN(c1nc(C)cc(-c2cccc(-c3ccccc3)c2)n1)c1ccc(C(C)C)cc1Br,CHEMBL10032,7.07
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1c(Br)cc(OC)cc1OC,CHEMBL276599,8.07
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)C)cc1Br,CHEMBL10175,8.51
+CCN(c1nc(C)cc(-c2ccccc2Cl)n1)c1c(Br)cc(OC)cc1OC,CHEMBL10473,8.04
+CCN(c1nc(C)cc(-c2ccccc2)n1)c1c(Br)cc(OC)cc1OC,CHEMBL10698,7.86
+CCN(c1nc(C)cc(-c2ccccc2Br)n1)c1ccc(C(C)C)cc1Br,CHEMBL10237,7.62
+CCN(c1nc(C)cc(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(C)C)cc1Br,CHEMBL10125,8.62
+CCN(c1nc(C)cc(-c2c(C)cc(C)nc2C)n1)c1c(C)cc(C(C)C)cc1Br,CHEMBL9956,7.6
+CCN(c1nc(C)cc(-c2ccccc2-c2nn[nH]n2)n1)c1ccc(C(C)C)cc1Br,CHEMBL10464,6.18
+CCN(c1nc(C)cc(-c2cccnc2)n1)c1c(Br)cc(OC)cc1OC,CHEMBL274579,6.64
+CCN(c1nc(C)cc(-c2ccccc2C#N)n1)c1ccc(C(C)C)cc1Br,CHEMBL266617,8.24
+CCN(c1nc(C)cc(-c2c(C)cc(C)cc2C)n1)c1ccc(C(C)C)cc1Br,CHEMBL276716,7.95
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1Br,CHEMBL10373,8.24
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1Br,CHEMBL275738,7.69
+CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1c(Br)cc(N(C)C)cc1OC,CHEMBL10015,8.03
+CCN(c1nc(C)cc(-c2ccccc2C)n1)c1ccc(C(C)C)cc1Br,CHEMBL268043,7.74
+CCN(c1nc(C)cc(-c2ccccc2N(C)C)n1)c1ccc(C(C)C)cc1Br,CHEMBL9794,7.11
+CCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC,CHEMBL10526,7.26
+CCN(c1nc(C)cc(-c2ccccc2N)n1)c1ccc(C(C)C)cc1Br,CHEMBL9795,5.63
+CCN(c1nc(C)cc(-c2ccccc2Cl)n1)c1ccc(C(C)C)cc1Br,CHEMBL10249,7.87
+CCN(c1nc(C)cc(-c2ccccc2NC)n1)c1ccc(C(C)C)cc1Br,CHEMBL273745,6.43
+Cc1cc(C)c(Nc2nc(C)nc(N(C)CCc3ccccc3)n2)c(C)c1,CHEMBL77527,5.68
+CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL308544,6.89
+CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL306618,7.24
+CCCN(CC1CC1)c1nc(C)nc(Nc2c(OC)cc(OC)cc2OC)n1,CHEMBL309789,5.1
+Cc1cc(C)c(Nc2nc(C)nc(N3CC=CCC3)n2)c(C)c1,CHEMBL78035,5.98
+CCCCN(CCCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL419636,6.31
+CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL307871,5.83
+Cc1cc(C)c(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)c(C)c1,CHEMBL78271,5.77
+CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC,CHEMBL77716,8.42
+C=CCN(CC=C)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL77391,6.94
+CCCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL305671,5.98
+CCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1,CHEMBL307419,6.31
+CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C,CHEMBL306482,8.64
+CCCN(CC1CC1)c1cc(Nc2c(C)cc(C)cc2C)nc(C)n1,CHEMBL80806,5.86
+CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C,CHEMBL75859,8.6
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(Br)cc(OC)cc1OC,CHEMBL9633,8.49
+CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12,CHEMBL10174,7.48
+COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2N)c(OC)c1,CHEMBL10091,7.22
+Cc1cc(C)c(-n2nnc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(C)c1,CHEMBL10315,6.77
+COc1cc(Br)c(-n2c(=O)n(C)c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1,CHEMBL10090,7.02
+CCN(c1nc(C)nc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)C)cc1Br,CHEMBL10082,8.26
+CCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C,CHEMBL10154,8.7
+COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2[N+](=O)[O-])c(OC)c1,CHEMBL10080,7.64
+COc1cc(Br)c(-n2nnc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1,CHEMBL276263,7.67
+Cc1cc(C)c(-n2c(C)c(C)c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(C)c1,CHEMBL273839,8.01
+COc1cc(Br)c(-n2c(C)nc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1,CHEMBL10142,7.49
+COc1cc(Br)c(-n2c(=O)[nH]c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1,CHEMBL10279,6.69
+CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL140894,9.15
+CCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL337768,8.92
+CCC(COC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL138155,8.72
+CCOCC(COCC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL141692,8.21
+CCCC(CCC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL138154,8.8
+CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL341820,9.4
+Cc1nc(N(C)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL334935,7.35
+CCCCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL141085,8.8
+CCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL336678,8.96
+CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL344223,9.22
+COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL141084,8.74
+CCCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL140143,8.92
+CC(=O)C(=NNc1ccccc1C(F)(F)F)Nc1cccc(F)c1,CHEMBL433505,6.71
+CC(=O)/C(=N\Nc1ccccc1C#N)Nc1cccc(Cl)c1,CHEMBL67448,6.38
+CC(=O)C(=NNc1ccccc1Cl)Nc1cccc(F)c1,CHEMBL307795,7.37
+COc1cccc(O/C(=N/Nc2ccccc2C#N)C(C)=O)c1,CHEMBL70142,5.11
+CC(=O)/C(=N\Nc1ccccc1C)Nc1cccc(Cl)c1,CHEMBL68118,6.67
+CC(=O)C(=NNc1ccccc1C)Nc1cccc(C)c1,CHEMBL67394,6.28
+CC(=O)/C(=N\Nc1ccccc1Cl)Nc1cccc(Cl)c1,CHEMBL303931,6.38
+CC(=O)/C(=N\Nc1ccccc1)Nc1cccc(Cl)c1,CHEMBL63664,5.57
+CC(=O)C(=NNc1ccccc1C(F)(F)F)Nc1cccc(C)c1,CHEMBL69374,5.85
+CC(=O)C(=NNc1ccc(C)cc1)Nc1cccc(Cl)c1,CHEMBL69431,5.64
+CC(=O)C(=NNc1ccccc1C)Nc1cccc(F)c1,CHEMBL67603,7.37
+C#Cc1cccc(NC(=NNc2ccccc2C)C(C)=O)c1,CHEMBL66157,7.21
+CC(=O)C(=NNc1ccccc1C)Nc1cccc(C(F)(F)F)c1,CHEMBL417037,6.54
+CC(=O)/C(=N\Nc1ccccc1C#N)Oc1cccc(C)c1,CHEMBL70143,6.19
+C#Cc1cccc(NC(=NNc2ccccc2Cl)C(C)=O)c1,CHEMBL416693,7.46
+COc1cccc(N/C(=N/Nc2ccccc2C(F)(F)F)C(C)=O)c1,CHEMBL67785,5.16
+COc1cccc(N/C(=N/Nc2ccccc2C)C(C)=O)c1,CHEMBL304072,5.85
+COc1cccc(N/C(=N/Nc2ccccc2Cl)C(C)=O)c1,CHEMBL68340,6.19
+CC(=O)C(=NNc1ccccc1Cl)Nc1ccc(Cl)cc1,CHEMBL67570,5.41
+CC(=O)C(=NNc1ccccc1Cl)Nc1cccc(C)c1,CHEMBL66950,6.94
+CC(=O)/C(=N\Nc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1,CHEMBL307751,6.27
+CC(=O)C(=NNc1ccccc1C#N)Nc1ccccc1,CHEMBL63140,5.97
+CC(=O)C(=NNc1ccc(Br)cc1)Nc1cccc(Cl)c1,CHEMBL69686,5.84
+CC(=O)C(=NNc1ccccc1C)Nc1ccc(Cl)cc1,CHEMBL420361,5.74
+CC(=O)C(=NNc1ccccc1)Nc1cccc(C)c1,CHEMBL70195,5.33
+CC(=O)C(=NNc1ccccc1C(F)(F)F)Nc1ccccc1,CHEMBL65721,5.65
+CC(=O)/C(=N\Nc1ccccc1C#N)Oc1ccc(Cl)cc1,CHEMBL442559,5.66
+CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])N(C)c1cccc(Cl)c1,CHEMBL66602,5.07
+CC(=O)C(=NNc1ccccc1Cl)Nc1ccccc1,CHEMBL68238,6.52
+CC(=O)C(=NNc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1,CHEMBL67121,7.29
+C#Cc1cccc(NC(=NNc2ccccc2C(F)(F)F)C(C)=O)c1,CHEMBL67438,7.18
+CC(=O)C(=NNc1ccccc1)Nc1ccccc1,CHEMBL66698,5.21
+CC(=O)C(=NNc1ccccc1C)Nc1ccccc1,CHEMBL65708,6.28
+CCCN(CC1CC1)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C,CHEMBL17619,7.88
+COCCN(CCOC)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C,CHEMBL417091,8.07
+CCCN(CC1CC1)c1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C,CHEMBL18590,7.79
+COCCN(CCOC)c1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C,CHEMBL17656,8.3
+CCN(CC)c1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C,CHEMBL17897,7.84
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12,CHEMBL333903,8.8
+CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL334237,8.41
+COCCN(CCOC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL123197,7.37
+CCCN(CCC)c1cc(C)nc2c(-c3ccccc3OC)c(C)nn12,CHEMBL333880,7.82
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(CO)nn12,CHEMBL330954,7.96
+CCCN(CC1CC1)c1cc(S(C)(=O)=O)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL123306,6.82
+CCCN(CCC)c1cc(C)nc2c(-c3cccc(OC)c3)c(C)nn12,CHEMBL121183,7.62
+CCCCN(CC)c1cc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,CHEMBL333713,8.59
+CCCN(CCO)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL121301,7.54
+CCCN(CC1CC1)c1cc(S(C)=O)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL122960,8.07
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12,CHEMBL263492,8.44
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL65078,8.727
+CCCN(CCC)c1cc(CC)nc2c(-c3ccc(Cl)cc3)c(C)nn12,CHEMBL121116,7.0
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12,CHEMBL332101,8.62
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL295563,8.755
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(C#N)cc3)c(C)nn12,CHEMBL331539,8.46
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn12,CHEMBL413756,8.89
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL120823,8.62
+CCCN(CC1CC1)c1cc(SC)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL333735,9.14
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL121286,8.72
+CCCN(CCOC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12,CHEMBL121896,8.47
+CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)c(C)nn12,CHEMBL121614,7.16
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1,CHEMBL83914,5.99
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2Cl)c(Cl)c1,CHEMBL78884,5.48
+COc1ccc(C(=O)C(Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1O,CHEMBL310783,6.41
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C(C)C)c(Cl)c1,CHEMBL310343,5.48
+Cc1ccccc1C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1,CHEMBL312239,6.33
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(F)c1,CHEMBL78608,6.36
+O=C(CCc1ccncc1)C(Nc1ccccc1Cl)c1ccccc1Br,CHEMBL309546,5.13
+CC(=O)Nc1cccc(C(=O)C(Nc2ccc(Cl)cc2Cl)c2ccccc2Br)c1,CHEMBL81912,6.29
+Cc1ccccc1[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL79587,6.81
+O=C(CCc1ccncc1)C(Nc1ccc(Cl)cc1Cl)c1ccccc1Br,CHEMBL81726,6.69
+CCc1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL311431,6.48
+Cc1ccccc1[C@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL81760,5.5
+Cc1cccc(C)c1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL432928,6.47
+Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2C)c(Cl)c1,CHEMBL79502,6.61
+Cc1cc(F)ccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL79576,6.29
+C=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1,CHEMBL81376,6.12
+CNC(=O)c1cccc(C(=O)C(Nc2ccc(C)cc2Cl)c2ccccc2Br)c1,CHEMBL309244,5.97
+Cc1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1,CHEMBL310773,6.43
+COc1ccc(C(=O)C(Nc2ccc(C)cc2Cl)c2ccccc2Br)cc1O,CHEMBL82707,5.97
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1,CHEMBL78721,6.19
+O=C(CCc1ccncc1)C(Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F,CHEMBL81262,6.0
+Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(Cl)c1,CHEMBL81117,6.04
+Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1,CHEMBL82308,6.26
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372939,6.89
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372938,7.35
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372911,7.44
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(N)=O,CHEMBL386892,8.26
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)CN[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372950,8.7
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372900,7.35
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O,CHEMBL438724,7.15
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(N)=O,CHEMBL407570,8.51
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372922,7.3
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC,CHEMBL2372937,7.31
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(N)=O,CHEMBL413591,8.52
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(N)=O,CHEMBL413613,7.09
+CCN(c1nc(C)cc(C)n1)c1ccc(C(C)=O)cc1SC,CHEMBL354022,7.05
+CCN(c1nc(C)nc(N(CCOC)CCOC)n1)c1ccc(C(C)C)cc1Br,CHEMBL355055,7.74
+CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1Br,CHEMBL168824,7.46
+CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1Br,CHEMBL432496,7.43
+CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(C(C)C)cc2SC)n1,CHEMBL165873,7.59
+CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL168844,8.4
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(SC)cc2Br)n1,CHEMBL167195,7.62
+CCC(CC)CNc1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL167738,7.36
+CCN(c1nc(C)cc(N(CCOC)CCOC)n1)c1ccc(C(C)C)cc1Br,CHEMBL354859,7.6
+CCCN(CCOC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL167444,7.96
+C=CCN(CC=C)c1nc(C)nc(N(CC)c2ccc(OC(F)(F)F)cc2Br)n1,CHEMBL167463,8.4
+CCN(c1nc(C)nc(N(CC2CC2)CC2CC2)n1)c1ccc(N(C)C)cc1C(F)(F)F,CHEMBL354395,8.3
+CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1,CHEMBL168169,8.15
+CCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1,CHEMBL167853,7.77
+CCCN(CC1CC1)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL167428,8.3
+CCCN(CCC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL354178,8.3
+CCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1,CHEMBL424538,8.22
+CCN(CCOC)c1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)n1,CHEMBL167464,7.51
+CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(C(C)=O)cc2OC)n1,CHEMBL166504,7.55
+C=CCN(c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1)C1CC1,CHEMBL166345,8.3
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1,CHEMBL353973,8.05
+CCCCN(CC)c1nc(C)nc(N(CC)c2ccc(OC(F)(F)F)cc2Br)n1,CHEMBL354367,8.3
+CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(Br)cc2OC)n1,CHEMBL166776,7.51
+C=CCNc1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL166897,7.48
+CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1,CHEMBL165531,7.85
+CCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1C,CHEMBL166110,7.27
+CCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1C(F)(F)F,CHEMBL166109,7.17
+CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1,CHEMBL355544,8.1
+CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2OC)n1,CHEMBL352378,8.0
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL166890,7.59
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(S(C)(=O)=O)cc2Br)n1,CHEMBL167171,7.62
+CCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL353890,7.57
+CCCCN(CC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL166056,8.22
+CCN(c1nc(C)cc(C)n1)c1c(Br)cc(N(C)C)cc1OC,CHEMBL166895,8.3
+CCCN(c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1)C1CC1,CHEMBL353877,8.3
+CCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1SC,CHEMBL168360,7.7
+CCC(CC)Nc1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL165824,7.39
+CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL350356,7.73
+C=CCN(CC=C)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1,CHEMBL168131,8.52
+CCN(CCOC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL167737,7.66
+CCN(c1nc(C)cc(N2CCCCC2)n1)c1ccc(C(C)C)cc1Br,CHEMBL424562,7.54
+CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1SC,CHEMBL167871,7.44
+CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1,CHEMBL166238,7.62
+CCCCN(CC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1,CHEMBL442773,8.1
+CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2Cl)n1,CHEMBL354584,7.82
+CCCCN(CC)c1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)n1,CHEMBL165473,7.64
+CCCCN(Cc1nnnn1C)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL443235,7.39
+CCCN(CC1CC1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL268993,8.05
+CCN(CC)c1nc(C)nc(N(CC)c2c(Br)cc(OC)cc2OC)n1,CHEMBL167122,8.0
+CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL168497,8.22
+CCN(c1nc(C)cc(C)n1)c1c(Br)cc(C(C)C)cc1OC,CHEMBL165589,7.59
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1,CHEMBL167177,8.3
+CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(OC)cc2OC)n1,CHEMBL353296,7.32
+CCN(c1nc(C)cc(C)n1)c1c(Br)cc(OC)cc1OC,CHEMBL46479,7.92
+CCN(c1nc(C)cc(N(CCOC)Cc2ccccc2)n1)c1ccc(C(C)C)cc1Br,CHEMBL166235,7.85
+CCC(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL167407,8.7
+CCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL165991,7.7
+CCN(c1nc(C)nc(N(CCOC)CC2CC2)n1)c1c(C)cc(C)cc1C,CHEMBL166807,7.6
+CCN(c1nc(C)nc(N2CCOCC2)n1)c1c(Br)cc(OC)cc1OC,CHEMBL424204,7.49
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1,CHEMBL165475,7.57
+CCCCN(CCOC)c1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)n1,CHEMBL166835,7.89
+CCN(Cc1ccccc1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL354791,7.77
+CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1SC,CHEMBL168359,7.22
+CCCCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL166388,8.3
+CCN(c1nc(C)cc(C)n1)c1c(Br)cc(C(C)C)cc1SC,CHEMBL168341,7.29
+CCN(CC)c1cc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1,CHEMBL169094,7.96
+C=CCN(CC=C)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1,CHEMBL424555,8.4
+CCCN(CCC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1,CHEMBL167095,8.15
+CCCCN(CCC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1,CHEMBL422555,8.1
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccsc2)CC1,CHEMBL305583,5.7
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL65484,7.82
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2cccs2)CC1,CHEMBL302396,6.6
+CCCN(c1ncc(C)c(-c2ccc(Br)cc2C)n1)C(C1CC1)C1CC1,CHEMBL66249,7.2
+CCCN(c1ncc(C)c(-c2ccc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL293627,7.72
+CCCN(c1ncc(C)c(-c2c(C)cc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL61954,7.82
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccoc2)CC1,CHEMBL417033,6.15
+CCCN(c1ncc(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1,CHEMBL63029,7.31
+CCCN(c1nccc(-c2c(Cl)cc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL63989,7.96
+CCCN(c1nccc(-c2c(F)cc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL63457,7.2
+CCCN(c1ncc(CC)c(-c2ccc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL63585,6.07
+C=CCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL291828,7.0
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1CCCC1,CHEMBL65979,5.66
+CCCN(c1nccc(-c2ccc(OC)cc2OC)n1)C(C1CC1)C1CC1,CHEMBL305354,6.34
+CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)[C@@H](c1ccccc1)C1CC1,CHEMBL291419,6.62
+Cc1nc(N2CCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1,CHEMBL169629,6.71
+COCCN(CC1CC1)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL355329,8.34
+Cc1nc(NC2CCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1,CHEMBL423833,6.92
+CCCCC(CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169952,8.51
+CCCCN(CC)c1nc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br,CHEMBL168554,9.05
+COCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(C)cc(C)cc1C,CHEMBL168788,7.68
+COCCN(CCOC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169561,8.33
+COCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169693,6.62
+CCC(Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br)C(=O)OC,CHEMBL169460,7.71
+COCC(COC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL165478,8.15
+CCCC(C)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL169280,8.15
+CCCCN(CC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC,CHEMBL169010,8.66
+COCCN(CCOC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL167777,8.23
+CCCC(Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br)C(=O)N(C)C,CHEMBL353393,6.63
+CCCCN(CCCC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL168823,8.21
+CCC(CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL435468,8.46
+CCCCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL169979,8.12
+COCCN(CCOC)c1nc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br,CHEMBL168476,8.17
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(OC(F)(F)F)cc1Br,CHEMBL168536,7.48
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL169576,7.62
+CCC(COC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168936,8.72
+COCC(Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL169538,7.56
+COCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(Br)cc(OC)cc1OC,CHEMBL169571,7.5
+CCCCN(CC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1S(C)(=O)=O,CHEMBL169521,7.08
+CCN(CC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL354398,7.6
+COCCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169195,7.17
+CCCC(CCC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL169430,8.44
+CCC(CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169248,8.72
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1S(C)(=O)=O,CHEMBL169365,5.99
+COCCNc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL352436,5.92
+COCCN(CCOC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC,CHEMBL352353,8.33
+CCC(COC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169416,8.12
+CCCCN(CC)c1nc(C)nc2c1nc(C)n2-c1c(Cl)cc(OC)cc1OC,CHEMBL423444,8.46
+COCCN(CCOC)c1ncnc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL355394,6.69
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)nc1C,CHEMBL166431,7.19
+CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL355689,8.4
+COCCN(CCO)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL434689,7.19
+CCCC(CN(C)C)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169421,7.41
+COCCNc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL353662,6.68
+CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC,CHEMBL355721,8.28
+Cc1cc(C)c(-n2c(C)c(C)c3c(N4CCOCC4)nc(C)nc32)c(C)c1,CHEMBL353425,6.7
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL424539,8.12
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(Br)cc(OC)cc1OC,CHEMBL169861,7.55
+CCCCc1nc2c(N(CC)CCCC)nc(C)nc2n1-c1c(Cl)cc(OC)cc1OC,CHEMBL170791,7.66
+COCCN(Cc1ccccc1)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168449,8.3
+CCC(CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169577,8.28
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(N(C)C)cc1Br,CHEMBL169711,7.98
+CCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169539,7.98
+CCN(CCOC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL352438,8.04
+CCCCC(CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL172684,8.29
+CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(Br)cc(OC)cc1OC,CHEMBL354940,8.46
+COCCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168883,6.54
+CCCCN(CC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL352340,8.37
+CCCC(CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL367110,8.36
+CCCC(CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL166669,8.55
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC,CHEMBL168388,7.82
+CCN(CCN(C)C)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL168846,5.57
+COCCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC,CHEMBL168459,7.62
+COCC(Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169528,7.44
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(N(C)C)cc1C(F)(F)F,CHEMBL167717,7.63
+Cc1nc(N(CCO)CCO)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1,CHEMBL167024,5.46
+CCOCC(COCC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169751,7.4
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(Br)cc(OC)cc1N(C)C,CHEMBL354280,7.32
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br,CHEMBL168531,7.69
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(SC)cc1Br,CHEMBL355006,7.97
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(S(C)(=O)=O)cc1Br,CHEMBL170844,7.0
+CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(C)cc(C)cc1C,CHEMBL168731,7.6
+COCCN(CCOC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1S(C)(=O)=O,CHEMBL169841,6.32
+CCC(CO)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169035,7.6
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)nc1C,CHEMBL172570,6.38
+CCCCN(CCCC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168646,7.49
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br,CHEMBL169955,8.13
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(C(C)=O)cc1Br,CHEMBL168252,7.47
+CCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL168664,8.24
+CCCCN(CC)c1cc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br,CHEMBL355049,8.41
+COCCN(CCOC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,CHEMBL169083,8.15
+C=CCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL353732,8.37
+CCCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL354579,7.16
+CCCCN(CC)c1nc(C)nc2c1nc(C(F)(F)F)n2-c1ccc(C(C)C)cc1Br,CHEMBL354982,8.85
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(Cl)cc(OC)cc1OC,CHEMBL168676,8.36
+CCC(CO)Nc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,CHEMBL169418,7.56
+COCC(COC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169998,7.99
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1,CHEMBL355008,5.41
+CCN(CCOC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL352916,7.68
+CCCCC(CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL355214,8.82
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(N(C)C)cc1C(F)(F)F,CHEMBL169862,7.81
+CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL172571,7.56
+CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br,CHEMBL354886,9.1
+COCCN(CCOC)c1cc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br,CHEMBL169641,8.01
+CCCCN(CC)c1ncnc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL352784,6.54
+CCC(CCOC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL353891,8.1
+COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(Cl)cc(OC)cc1OC,CHEMBL353050,7.68
+COCC(COC)N(C)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL355494,7.67
+CCCCN(CC)c1nc(C)nc2c1nc(-c1ccccc1)n2-c1c(Cl)cc(OC)cc1OC,CHEMBL353098,6.88
+CCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,CHEMBL353638,7.54
+CCC(COC)N(C)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168519,7.95
+Cc1nc(N2CCCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1,CHEMBL353856,7.34
+CCCCC(CCCC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL169781,8.35
+CCN(CC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL168353,7.91
+CCC(COC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL170788,8.01
+COCCN(Cc1cccnc1)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL168858,7.31
+CCN(c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br)C(COC)COC,CHEMBL169070,6.91
+COCC(C)(C)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,CHEMBL353238,6.71
+CCCCC(CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br,CHEMBL167017,8.54
+CCC(COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C,CHEMBL354256,7.23
+C=CCN1N=C(N(CCC)C(C2CC2)C2CC2)NC1=c1c(C)cc(C)cc1=C,CHEMBL107091,5.66
+C=c1cc(C)cc(C)c1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1CC(F)(F)F,CHEMBL106093,5.82
+CCCN(c1nc(-c2ccc(Cl)cc2Cl)n(CC)n1)C(C1CC1)C1CC1,CHEMBL106972,7.1
+C=c1cc(Br)ccc1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1C,CHEMBL108673,8.0
+C=c1cc(C)cc(C)c1=C1NN=C(N(CCC)C(C2CC2)C2CC2)N1,CHEMBL108784,5.49
+CCCN(c1nc(-c2ccc(Cl)cc2Cl)n(C)n1)c1ccccc1OC,CHEMBL106874,5.47
+C=c1cc(C)cc(C)c1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1C,CHEMBL110222,6.92
+CCCN(c1nc(-c2ccc(Cl)cc2)n(C)n1)C(C1CC1)C1CC1,CHEMBL106728,7.48
+CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(CCO)n1,CHEMBL108158,7.85
+CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1,CHEMBL431067,5.53
+C=c1cc(C)cc(C)c1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1CC,CHEMBL321155,6.51
+CCCN(c1nc(-c2cc(F)c(Cl)cc2Cl)n(C)n1)C(C1CC1)C1CC1,CHEMBL323437,7.82
+CCCN(c1nnc(-c2ccc(Cl)cc2Cl)[nH]1)C(C1CC1)C1CC1,CHEMBL175536,5.485
+C=c1cc(C)ccc1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1C,CHEMBL323257,7.14
+CCCN(c1nc(-c2ccc(Cl)cc2Cl)n(C)n1)C(C1CC1)C1CC1,CHEMBL110609,8.045
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(C1CC1)C1CC1,CHEMBL107786,7.57
+C=c1cc(Cl)ccc1=C1NC(N(CCC)C(C2CC2)C2CC2)=NN1C,CHEMBL106675,7.66
+CCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL325047,8.62
+CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL431076,8.52
+CSc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL114914,7.8
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(C)cc3)cccc12,CHEMBL115154,7.49
+COCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL325430,8.24
+CCCN(CC1CC1)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL114596,8.66
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3)cccc12,CHEMBL115928,7.28
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(OC)ccc12,CHEMBL115566,8.05
+Cc1cc(C)c2cccc(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL112389,6.34
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)cccc12,CHEMBL114419,8.05
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)ccc12,CHEMBL432607,8.35
+COCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)ccc12,CHEMBL326107,7.92
+CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL115030,8.42
+COCCN(CCOC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL115032,8.19
+CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL115099,8.49
+COc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL116106,6.85
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL113097,8.24
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL115389,9.3
+CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)cccc12,CHEMBL326074,6.38
+CCCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,CHEMBL113653,8.52
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)ccc12,CHEMBL114422,8.6
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)cccc12,CHEMBL326722,7.84
+Cc1cc(Cl)c2cccc(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL115119,8.3
+CCCN(CC1CC1)C(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C,CHEMBL340469,5.59
+CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL128100,8.07
+CCCN(Cc1sc(Nc2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1,CHEMBL131422,5.54
+CCCN(Cc1sc(N(CC)c2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1,CHEMBL131571,7.25
+CCCN(Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL130265,7.64
+CCCN(Cc1sc(N(CC)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL334976,7.17
+CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL128625,6.44
+CCCN(CCC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL128201,6.09
+CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1CC,CHEMBL130180,4.96
+CCCN(Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL128709,7.8
+CCCN(Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1,CHEMBL337409,7.68
+CCCN(Cc1oc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL128310,5.46
+CCCN(Cc1sc(N(C)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL130264,7.0
+CCCN(Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F)CC1CC1,CHEMBL338154,7.14
+CCCCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL132055,5.55
+CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL131530,4.51
+CCCN(Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F)CC1CC1,CHEMBL127783,5.29
+CCCN(Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL338780,5.34
+CCCN(Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1,CHEMBL131533,7.55
+COCCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL128566,4.29
+CCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL129196,4.8
+CCCN(Cc1sc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL131046,7.55
+CCCN(Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F)CC1CC1,CHEMBL128713,7.22
+CCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C,CHEMBL334778,5.3
+CCCN(Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F)CC1CC1,CHEMBL341313,8.11
+Cc1nc(N2CCOCC2)c2sc(=S)n(-c3ccc(C(C)C)cc3Br)c2n1,CHEMBL280449,6.91
+CCN(CC)c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br,CHEMBL18029,8.39
+CCC(C)N(c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br)C(C)CC,CHEMBL18173,7.34
+COCCN(CCOC)c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br,CHEMBL559127,8.18
+CCN(CC)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C,CHEMBL413968,8.04
+COCCN(CCOC)c1nc(C)nc2c1sc(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL17666,7.84
+CCCN(CC1CC1)c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br,CHEMBL18285,7.9
+CCCN(CC1CC1)c1nc(C)nc2c1sc(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL273559,8.39
+CCN(CC)c1nc(C)nc2c1sc(=O)n2-c1ccc(C(C)C)cc1Br,CHEMBL278895,8.03
+CCCCN(CC)c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br,CHEMBL18230,7.62
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL114649,7.46
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12,CHEMBL324495,7.09
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)n(C)nc12,CHEMBL116011,7.15
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(C)cc3Cl)n(CC)nc12,CHEMBL114821,7.49
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c12,CHEMBL114861,8.68
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c12,CHEMBL112152,8.77
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C(C)C)nc12,CHEMBL269690,7.43
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL115142,9.21
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL111665,8.7
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c12,CHEMBL322969,8.38
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CCC)c12,CHEMBL325960,6.74
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL334262,7.96
+CCCCN(CCc1ccc(OC)cc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL325996,7.1
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CCC)nc12,CHEMBL116010,7.19
+CCCCN(CCCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12,CHEMBL115313,7.56
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n[nH]c12,CHEMBL115759,7.4
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C(C)C)c12,CHEMBL112151,7.79
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12,CHEMBL115999,7.34
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12,CHEMBL419761,7.49
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n[nH]c12,CHEMBL112478,7.22
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12,CHEMBL116280,7.48
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL116167,7.49
+CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)n(C)nc12,CHEMBL422784,6.64
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL334039,8.36
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(C)cc3Cl)n(CC)nc12,CHEMBL115818,7.23
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n[nH]c12,CHEMBL420681,7.59
+CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL445075,8.78
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL114193,8.48
+Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL65308,6.51
+Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL303593,7.39
+CCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL302645,7.96
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12,CHEMBL62533,7.11
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL290762,8.3
+CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnn12,CHEMBL303789,7.4
+CCCCN(OC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL65574,6.67
+CCCC1CCCCN1c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL305092,8.19
+CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL292484,7.16
+CCCCN(CC)c1cc(C)nc2c(-c3c(Cl)cc(Cl)cc3Cl)c(C)nn12,CHEMBL65724,7.03
+CCCCN(CC)c1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12,CHEMBL292764,7.82
+CCCCN(CC)c1cc(C)nc2c(-c3ccccc3)c(C)nn12,CHEMBL65195,6.29
+CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br,CHEMBL305900,8.7
+CCCN(CC1CC1)c1cc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)n1,CHEMBL140175,7.15
+CCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C,CHEMBL344805,6.82
+CCCN(CC1CC1)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(C)n1,CHEMBL134475,6.6
+CCc1cccc(CC)c1Nc1nc(C)nc(NCc2ccc(C(F)(F)F)cc2)n1,CHEMBL343073,4.26
+CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(OC)cc2OC)n1,CHEMBL136828,5.1
+C=CCN(CC=C)c1nc(C)nc(Nc2c(CC)cccc2CC)n1,CHEMBL136519,5.24
+CCc1cccc(CC)c1Nc1nc(C)nc(N(CC)Cc2ccccc2)n1,CHEMBL137434,5.77
+CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3C)n(C)nc12,CHEMBL302742,8.4
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CC)nc12,CHEMBL66054,8.52
+CCCCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL68303,6.95
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12,CHEMBL67484,9.0
+CCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL302589,7.6
+CCCN(CCN1CCCCC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL66671,6.25
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n[nH]c12,CHEMBL66719,7.8
+CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)cc3OC)n(C)nc12,CHEMBL293469,8.0
+CCCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL68697,7.54
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)nn(CCC)c12,CHEMBL67483,7.21
+CCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL66052,6.72
+CCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL303272,7.62
+COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL304272,8.52
+CCCN(CCN1CCCC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL67646,6.94
+CCCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL417039,7.42
+CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL293228,8.7
+CCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL304335,8.52
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12,CHEMBL66275,8.52
+CCCN(CCC)c1nc(C)nc2c(-c3ccccc3Cl)n(C)nc12,CHEMBL67360,6.12
+CCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL66492,7.8
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)nn(CC)c12,CHEMBL304059,7.82
+Cc1nc(NC2CCCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL66631,6.76
+CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL303380,8.7
+CCCN(CCC)c1nc(C)nc2c(-c3c(Cl)cccc3Cl)n(C)nc12,CHEMBL66831,7.7
+Cc1nc(NC2CCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1,CHEMBL69968,7.77
+CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CCC)nc12,CHEMBL68076,7.96
+CCCN(CCN(C)C)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12,CHEMBL303639,6.84
+CCCCN(CCc1ccccn1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL323756,7.89
+CCCCN(CCCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3Cl)nn(C)c12,CHEMBL324728,8.68
+CCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112031,8.39
+CCCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112626,8.89
+CCCCN(CC1CCCN1C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL324497,6.42
+CCCCN(Cc1ccncc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL436564,7.17
+CCCCN(c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12)C(CC)CC,CHEMBL326284,8.15
+CCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112290,8.49
+COCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL325918,8.09
+CCCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112045,8.01
+CCCN(CCO)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL332040,8.36
+CCCCN(CC1CCCO1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL326355,7.95
+CCCCN(CCc1ccncc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL334061,7.47
+CCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL432976,8.89
+COCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL111960,7.49
+CCCCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL114928,7.74
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)nn(C)c12,CHEMBL115349,8.32
+CCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL114912,9.05
+CCCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL326156,8.82
+CCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL332721,8.36
+CCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL115820,7.9
+CCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL117209,8.29
+CCCCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL111838,8.4
+CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112266,6.77
+CCCN(Cc1ccc(O)cc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL325638,7.89
+COCCN(CC(C)C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL448788,7.98
+CCCCN(CCCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12,CHEMBL112264,8.29
+CCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL116003,7.62
+Cc1cc(N(CC(C)C)CC2CC2)c2c(n1)c(-c1ccc(Cl)cc1Cl)nn2C,CHEMBL112560,8.43
+CCCCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL116171,9.0
+COCCN(c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12)C(C)C,CHEMBL325051,8.01
+CCCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112336,8.17
+CCCC(CO)Nc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL111867,7.21
+CCCCN(CCSC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL112057,8.85
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(C)cc3Cl)nn(C)c12,CHEMBL114273,8.55
+CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)nn(C)c12,CHEMBL112549,6.47
+CCCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL323886,8.92
+CCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12,CHEMBL324889,7.98
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCOC)c1=O,CHEMBL82275,5.4
+CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O,CHEMBL313479,8.4
+CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC(F)F)n(CC)c1=O,CHEMBL313823,6.21
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(C)c1=O,CHEMBL83934,6.87
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCC)c1=O,CHEMBL421334,6.14
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCF)c1=O,CHEMBL84974,7.41
+CCCN(CCC)c1c(C)[nH]c(-c2c(C)cc(C)cc2OC)nc1=O,CHEMBL82265,6.03
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(C(C)C)c1=O,CHEMBL84892,7.33
+CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(CC)c1=O,CHEMBL83789,6.51
+CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O,CHEMBL84339,7.82
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC2CC2)c1=O,CHEMBL85363,6.59
+CCCN(CCC)c1c(CC)[nH]c(-c2c(C)cc(C)cc2OC)nc1=O,CHEMBL82112,6.25
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCC)c1=O,CHEMBL83970,6.72
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(C)c1=O,CHEMBL312336,6.33
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC)c1=O,CHEMBL309440,7.42
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O,CHEMBL83385,7.68
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC(F)(F)F)c1=O,CHEMBL314267,5.79
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O,CHEMBL311520,7.05
+CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(C)c1=O,CHEMBL315112,6.28
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O,CHEMBL85416,7.14
+CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O,CHEMBL84007,8.15
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL432800,9.05
+COCC(COC)n1nnc2c(Nc3c(C)cc(C)cc3Cl)nc(C)cc21,CHEMBL44169,8.48
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(N)=O,CHEMBL2372650,8.35
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+CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12,CHEMBL45187,8.94
+CCC(CC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21,CHEMBL297868,8.89
+CCCN(CCOC)c1cc(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn12,CHEMBL297886,7.86
+CCCN(CC1CC1)c1cc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)n1,CHEMBL182500,6.2
+CCCN(CC1CC1)c1cc(C(=O)c2c(OC)cc(OC)cc2OC)nc(C)n1,CHEMBL185400,5.96
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+CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C,CHEMBL182643,7.42
+CCCN(CC1CC1)c1nc(C)nc(C(=O)c2ccccc2C)c1C,CHEMBL182803,6.09
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+CCN(c1ccccc1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C,CHEMBL182825,6.33
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+FC(F)(F)c1nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n2c1CN(CC1CC1)CC1CC1,CHEMBL364537,6.62
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)CC1CC1,CHEMBL363218,6.43
+CCCN(CC1CC1)C(=O)c1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL433763,5.45
+CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12,CHEMBL362124,5.8
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(CC4CC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL186479,8.15
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL190745,7.89
+CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL188358,6.44
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL187975,6.37
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC1CCC1,CHEMBL188813,7.59
+CCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC1CC1,CHEMBL365715,7.55
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL363281,6.34
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(C)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL187924,6.24
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC1CC1,CHEMBL424812,7.7
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12)CC1CC1,CHEMBL360185,7.23
+CCCN(Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC1CC1,CHEMBL188523,7.68
+Cc1cc(C)c(-n2c3ccccc3n3c(CN(CC4CC4)CC(F)(F)C(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL427527,7.47
+CCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL187815,5.85
+CCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL362567,5.56
+CCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL189714,5.39
+CCCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,CHEMBL190823,5.11
+CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)cnn12,CHEMBL364828,7.7
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(C)nc3)c(C)nn12,CHEMBL362305,7.68
+CCCN(CCC)c1cc(C)nc2c(-c3cnc(C)cc3C)c(C)nn12,CHEMBL359784,8.14
+CCCN(CCC)c1c(F)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL444614,8.25
+CCCN(CCC)c1c(Cl)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL184740,7.41
+CCCN(CCC)c1c(Br)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL364168,6.62
+Cc1cc(NC(C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1,CHEMBL426260,7.77
+Cc1cc(NC(C)CCC(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1,CHEMBL189754,7.89
+CCC(CC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL186992,8.03
+CCCC(CCC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL188609,8.32
+CCC(COC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL184284,6.59
+COCC(Cc1ccccc1)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL361670,8.19
+CCCCN(CC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL183845,8.59
+CCCN(CC1CC1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL189821,8.59
+CCCCN(CCCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL360851,8.38
+CCN(Cc1ccccc1C)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL361509,8.62
+CCN(Cc1cccc(C)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL185705,8.62
+CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL186033,8.64
+CCN(Cc1ccccc1F)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL186592,8.47
+CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL364987,8.89
+CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL185858,8.6
+Cc1cc(N(Cc2ccccc2)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1,CHEMBL366096,7.96
+CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL365841,8.28
+CCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL363269,7.82
+CCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL364214,7.62
+CCCCN(Cc1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL188566,8.54
+CCCN(c1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,CHEMBL184752,8.06
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12,CHEMBL188844,8.575
+CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3C)c(C)nn12,CHEMBL366155,8.66
+CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12,CHEMBL187039,8.28
+CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL181718,7.64
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN(CC1CC1)CC1CC1,CHEMBL181980,7.59
+FC(F)(F)CN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL181381,7.37
+FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL178081,7.34
+CN(C)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1,CHEMBL178246,4.89
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCC1CC1,CHEMBL178374,4.54
+CCCN(CCC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL179225,6.8
+CCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL179576,6.82
+CCCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL369109,6.54
+C=CCN(CC=C)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181280,7.24
+C=CCN(CCC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL361323,7.0
+CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCC1,CHEMBL181075,7.14
+CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCCCC1,CHEMBL179416,5.2
+CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC(C)C,CHEMBL178375,6.62
+CC(C)N(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)C(C)C,CHEMBL178523,5.01
+CCCN(CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181566,6.38
+CCN(CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL361394,5.96
+CCN(CCN(C)C)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181732,4.72
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCC1,CHEMBL181765,5.0
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CC=CC1,CHEMBL181121,5.17
+COC[C@@H]1CCCN1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL369754,5.29
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1Cn1ccnc1,CHEMBL179480,4.74
+CCc1nccn1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL359494,5.74
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCCC1,CHEMBL359828,4.26
+FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CC=CCC1,CHEMBL178751,4.92
+CCCN(Cc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL182133,7.42
+CCN(Cc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL180880,6.92
+CCCN(Cc1ccc(F)cc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL369734,7.6
+CCCN(Cc1ccc(Cl)cc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL361438,7.96
+CCCN(Cc1ccc(OC)cc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181084,7.43
+CCCN(Cc1ccccc1F)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL447836,7.38
+CCCN(Cc1cccs1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181625,6.89
+CCCN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL361647,6.11
+CCCN(Cc1ccncc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL369531,7.0
+CCCN(Cc1cccnc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL360458,6.54
+CCCN(Cc1ccccn1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL368018,5.89
+FC(F)(F)CN(Cc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL361108,6.41
+FC(F)(F)CCN(Cc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL441311,8.21
+Fc1ccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)cc1,CHEMBL362448,8.32
+Fc1cccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)c1,CHEMBL369107,8.43
+FC(F)(F)CCN(Cc1ccc(Cl)cc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181134,8.49
+CCCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181884,7.55
+CCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181662,7.1
+CN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL360471,6.25
+FC(F)(F)CN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181133,7.3
+FC(F)(F)CCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL181673,6.89
+CSc1snnc1NCc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F,CHEMBL178131,5.96
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(C(C)C)C(C)C,CHEMBL178702,6.04
+CCCN(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL178725,5.59
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(C)CC,CHEMBL367789,6.16
+CCC(c1ccccc1)N(CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL178346,6.82
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(CC)c1ccccc1,CHEMBL433940,7.59
+CCCCC(c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL178836,8.17
+CCCCC(CC)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL362847,7.34
+CCCCC(CC)N(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL178618,6.36
+CCCCC(CC)N(OCCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL178667,6.55
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(CC)c1ccc(C(F)(F)F)cc1,CHEMBL178735,7.92
+CCCC(c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL359863,7.85
+CCCCC(c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL362453,8.14
+C=c1cc(OC)ccc1=C1NC(N(CCC)C(CC)c2ccc(C(F)(F)F)cc2)=NN1C,CHEMBL178117,7.85
+C=c1cc(OC)ccc1=C1NC(N(CCC)C(CCC)c2ccccc2)=NN1C,CHEMBL175902,7.21
+C=c1cc(OC)ccc1=C1NC(N(CCC)C(CCCC)c2ccccc2)=NN1C,CHEMBL426419,8.16
+CCCC(c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1,CHEMBL179647,6.92
+CCCCC(c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1,CHEMBL179540,7.62
+CCCC(c1ccccc1)N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1,CHEMBL194877,7.08
+CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL3085414,8.4
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1,CHEMBL2094043,8.28
+CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL3085416,8.2
+CCCC[C@@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL2094063,8.57
+C=c1cc(OC)ccc1=C1NC(N(CCC)[C@@H](CC)c2ccc(C(F)(F)F)cc2)=NN1C,CHEMBL3085415,7.93
+C=c1cc(OC)ccc1=C1NC(N(CCC)[C@@H](CCC)c2ccccc2)=NN1C,CHEMBL2094044,8.05
+C=c1cc(OC)ccc1=C1NC(N(CCC)[C@@H](CCCC)c2ccccc2)=NN1C,CHEMBL2093962,8.24
+CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1,CHEMBL3085417,7.66
+CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1,CHEMBL3085418,7.79
+CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@H](CC)c1ccc(C(F)(F)F)cc1,CHEMBL2093959,6.37
+CCCC[C@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1,CHEMBL2093960,7.34
+C=c1cc(OC)ccc1=C1NC(N(CCC)[C@H](CCC)c2ccccc2)=NN1C,CHEMBL2093961,7.29
+C=c1cc(OC)ccc1=C1NC(N(CCC)[C@H](CCCC)c2ccccc2)=NN1C,CHEMBL2094064,6.46
+CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23,CHEMBL371367,7.31
+CCC(CC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23,CHEMBL192335,7.21
+CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23,CHEMBL370501,7.89
+CCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23,CHEMBL191903,7.4
+COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23,CHEMBL192082,6.92
+CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3Cl)c3nc(C)cc1c23,CHEMBL195631,8.46
+CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23,CHEMBL364016,8.38
+CCCC(CCC)N1CCc2cn(-c3ccc(C#N)cc3Cl)c3nc(C)cc1c23,CHEMBL371407,8.14
+CCCC(CCC)N1CCc2cn(-c3ccc(OC)cc3C)c3nc(C)cc1c23,CHEMBL195152,8.19
+CCCC(CCC)N1CCc2cn(-c3ccc(S(C)(=O)=O)cc3Cl)c3nc(C)cc1c23,CHEMBL194607,7.89
+CCCC(CCC)N1CCc2cn(-c3ccc(OC)nc3OC)c3nc(C)cc1c23,CHEMBL195699,8.27
+CCCC(CCC)N1CCc2cn(-c3ccccc3OC)c3nc(C)cc1c23,CHEMBL192288,7.26
+CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3)c3nc(C)cc1c23,CHEMBL191755,7.52
+CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3nc(C)cc1c23,CHEMBL434910,6.72
+CCCC(CCC)N1CCc2cn(CCCOC(C)C)c3nc(C)cc1c23,CHEMBL191650,5.39
+CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23,CHEMBL191780,5.72
+CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23,CHEMBL363414,8.54
+CCC(CC)N1CCc2cn(-c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23,CHEMBL427168,8.22
+CCC(COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3nc(C)cc1c23,CHEMBL372009,7.8
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)C(F)(F)F)CCN2c1c(C)cc(C)cc1C,CHEMBL181227,7.2
+CCCN(Cc1ccc(Cl)cc1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL181002,5.52
+C=CCN(CCC)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL368245,6.13
+CCc1nc2n(c1C(=O)N(CCC(F)(F)F)CC1CC1)CCN2c1c(C)cc(C)cc1C,CHEMBL433768,7.14
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1Cl,CHEMBL368879,7.03
+CCCN(Cc1c(C)nc2n1CCN2c1c(C)cc(C)cc1C)CC1CC1,CHEMBL362799,5.18
+CCCN(Cc1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C)CC1CC1,CHEMBL179985,4.72
+C=CCN(CC=C)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL180610,5.52
+CCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccccc1)CCN2c1c(C)cc(C)cc1C,CHEMBL359499,6.18
+CCCN(CC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL369341,7.21
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(Cl)cc1Cl,CHEMBL362815,7.62
+CCc1nc2n(c1C(=O)N(CC1CC1)CC1CC1)CCN2c1c(C)cc(C)cc1C,CHEMBL178165,7.17
+CCCN(CCC)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL368041,7.0
+CCCN(CCC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL183348,6.66
+CCc1nc2n(c1C(=O)N(CC)CC1CC1)CCN2c1c(C)cc(C)cc1C,CHEMBL181283,7.03
+CCCN(CCC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL179499,6.11
+CCc1nc2n(c1C(=O)N(CC)CCC1CC1)CCN2c1c(C)cc(C)cc1C,CHEMBL181287,6.21
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(Cl)cc1Cl,CHEMBL183824,7.12
+CCCCN(CC)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL178617,6.54
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Cl,CHEMBL359936,7.39
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1C,CHEMBL359832,7.39
+CCc1nc2n(c1C(=O)N(CCC1CC1)CCC(F)(F)F)CCN2c1c(C)cc(C)cc1C,CHEMBL181823,6.19
+CCCN(Cc1ccccc1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL180284,5.39
+CCCN(Cc1cccc(F)c1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL181989,5.38
+CCCN(CC1CC1)C(=O)c1c(C)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL180178,6.66
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL359956,7.38
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1ccc(C(C)C)cc1Br,CHEMBL182624,5.81
+CCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)CCN2c1c(C)cc(C)cc1C,CHEMBL181053,6.57
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Br,CHEMBL182482,7.59
+CCCN(CCc1ccccc1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C,CHEMBL183639,6.66
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1Br,CHEMBL182278,6.9
+CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1ccc(C(C)C)cc1Br,CHEMBL180613,6.57
+CCCC(CCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32,CHEMBL188907,8.35
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32,CHEMBL190488,8.29
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(C)C)cc3Br)c3nc(C)cc1c32,CHEMBL191090,8.96
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cc3)c3nc(C)cc1c32,CHEMBL365260,7.92
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32,CHEMBL189780,7.77
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(S(C)(=O)=O)cc3)c3nc(C)cc1c32,CHEMBL191188,6.34
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(=O)OC)cc3)c3nc(C)cc1c32,CHEMBL190661,6.04
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32,CHEMBL190845,8.7
+CCCC(CCC)N1CCn2c(=O)n(-c3ccccc3OC)c3nc(C)cc1c32,CHEMBL191395,7.36
+CCCC(CCC)N1CCn2c(=O)n(-c3cccc(OC)c3)c3nc(C)cc1c32,CHEMBL361242,6.89
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OCC)cc3)c3nc(C)cc1c32,CHEMBL364938,6.85
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cn3)c3nc(C)cc1c32,CHEMBL371348,7.64
+CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OC)nc3)c3nc(C)cc1c32,CHEMBL364892,7.22
+CCCCN1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32,CHEMBL365745,5.06
+CCC(CC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32,CHEMBL364680,8.1
+CCCC(OC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32,CHEMBL190757,6.82
+CCC(CC)N1CCn2c(=O)n(-c3ccc(Cl)cc3)c3nc(C)cc1c32,CHEMBL414664,7.24
+CCC(CC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32,CHEMBL364037,6.77
+CCC(CC)N1CCn2c(=O)n(-c3ccc(OC)cc3C)c3nc(C)cc1c32,CHEMBL190881,7.7
+CCCC(OC)N1CCn2c(=O)n(-c3ccc(Cl)cc3)c3nc(C)cc1c32,CHEMBL190262,6.7
+CCCC(OC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32,CHEMBL190037,6.72
+CCCC(OC)N1CCn2c(=O)n(-c3ccc(OC)cc3C)c3nc(C)cc1c32,CHEMBL363152,6.0
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL380800,8.5
+CC[C@@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL196604,6.9
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2CC1CC1,CHEMBL371453,7.1
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](C)N2CC1CC1,CHEMBL196307,8.1
+CCC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL372653,8.4
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](C(C)C)N2CC1CC1,CHEMBL372319,8.3
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](c1ccccc1)N2CC1CC1,CHEMBL363779,8.0
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1,CHEMBL196873,6.1
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1C,CHEMBL196594,5.3
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC,CHEMBL196146,7.2
+CCCN1c2cc(C)nc3c(-c4ccc(Cl)cc4Cl)nn(c23)C[C@@H]1CC,CHEMBL265282,7.5
+CCCCN1c2cc(C)nc3c(-c4ccc(Cl)cc4Cl)nn(c23)C[C@@H]1CC,CHEMBL197197,8.2
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1C(C)C,CHEMBL363616,7.1
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC(C)C,CHEMBL195636,7.8
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CCC1,CHEMBL372905,7.7
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1Cc1ccccc1,CHEMBL364261,6.8
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CCOC,CHEMBL196740,7.3
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2CC(C)C,CHEMBL371981,6.4
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2C(C)C,CHEMBL363394,7.1
+CCC(CC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32,CHEMBL383602,8.4
+CCCCC(CCCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32,CHEMBL196270,8.3
+Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2C1CCCCC1,CHEMBL197204,6.8
+CCC(COC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32,CHEMBL426283,7.2
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1,CHEMBL194295,7.7
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3C)c3nc(C)cc(c32)N1CC1CC1,CHEMBL193522,8.1
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3OC)c3nc(C)cc(c32)N1CC1CC1,CHEMBL366179,7.6
+CC[C@H]1Cn2nc(-c3ccc(Cl)cc3F)c3nc(C)cc(c32)N1CC1CC1,CHEMBL380563,7.3
+CC[C@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL194836,8.4
+CC[C@H]1Cn2nc(-c3ccc(C)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL194890,8.2
+CC[C@H]1Cn2nc(-c3ccc(OC)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL197134,8.4
+CC[C@H]1Cn2nc(-c3ccc(F)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL197187,7.9
+CC[C@H]1Cn2nc(-c3ccc(C(=O)OC)cc3Cl)c3nc(C)cc(c32)N1CC1CC1,CHEMBL196682,6.8
+CC[C@H]1Cn2nc(-c3ccc(C)cc3C)c3nc(C)cc(c32)N1CC1CC1,CHEMBL381850,7.9
+CC[C@H]1Cn2nc(-c3ccc(OC)cc3C)c3nc(C)cc(c32)N1CC1CC1,CHEMBL196312,8.0
+CC[C@H]1Cn2nc(-c3ccc(OC)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1,CHEMBL372365,8.1
+CC[C@H]1Cn2nc(-c3ccc(C(C)C)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1,CHEMBL196879,8.1
+CC[C@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1,CHEMBL370346,8.1
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CC1,CHEMBL245671,7.8
+COCC(COC)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL245506,5.25
+CCCC(C)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL396822,5.54
+COCCN(CCOC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL245298,5.39
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)CCc4ccncc4)c(C)nc23)c(Cl)c1,CHEMBL428044,5.49
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)CCc4ccccn4)c(C)nc23)c(Cl)c1,CHEMBL396821,5.55
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)CCc4cccnc4)c(C)nc23)c(Cl)c1,CHEMBL245297,6.24
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)Cc4cccnc4)c(C)nc23)c(Cl)c1,CHEMBL248367,5.57
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)Cc4ccncc4)c(C)nc23)c(Cl)c1,CHEMBL392044,5.92
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCOCC4)c(C)nc23)c(Cl)c1,CHEMBL440232,5.85
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCCC4CCc4ccccc4)c(C)nc23)c(Cl)c1,CHEMBL438847,5.89
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCC(CCc5ccccc5)C4)c(C)nc23)c(Cl)c1,CHEMBL248163,6.15
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCC(Cc5ccccc5)C4)c(C)nc23)c(Cl)c1,CHEMBL248162,6.15
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCCC4c4ccccc4)c(C)nc23)c(Cl)c1,CHEMBL394112,6.24
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCCC4Cc4ccccc4)c(C)nc23)c(Cl)c1,CHEMBL247958,7.32
+Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCC(c5ccccc5)C4)c(C)nc23)c(Cl)c1,CHEMBL393901,8.08
+CCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247957,6.44
+CCCCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247755,7.44
+CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL392655,8.19
+CCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247753,7.3
+CCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CCC1,CHEMBL247558,7.7
+CCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CC1,CHEMBL428048,7.03
+CCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CC1,CHEMBL392654,7.44
+CCCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247557,8.23
+CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12,CHEMBL391170,7.37
+CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247359,7.82
+Cc1cc(C)c(-n2c3ncccc3n3c(CN(CC4CC4)CC4CC4)c(C)nc23)c(C)c1,CHEMBL391169,7.64
+C=CCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12,CHEMBL430391,7.59
+C=CCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247358,7.55
+CCCCN(CCCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL556060,7.74
+CCCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL393250,7.82
+C=CCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12,CHEMBL247152,7.39
+C=CCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL247151,7.96
+CCCN(Cc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,CHEMBL246944,7.55
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CCC1,CHEMBL393044,8.22
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CC1,CHEMBL391141,7.82
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CC1,CHEMBL395929,7.96
+CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12,CHEMBL246501,8.11
+CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CCC1,CHEMBL397389,8.09
+CCCN(Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CCC1,CHEMBL395833,7.77
+CCC(CC)Nc1nc(C)c(Oc2cc(C)ccn2)nc1C,CHEMBL401295,6.4
+CCc1nc(N(C)c2ncc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF,CHEMBL249212,5.92
+CCc1nc(N[C@@H]2c3ccccc3C[C@@H]2OCCF)c(CC)nc1Nc1ncc(Cl)cc1Cl,CHEMBL400952,5.76
+CCc1nc(Oc2cc(C)ncn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF,CHEMBL248996,7.29
+CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC,CHEMBL248803,7.24
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CC1,CHEMBL398843,6.67
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC,CHEMBL248785,7.66
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCO,CHEMBL400082,7.09
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CCCC1,CHEMBL250815,7.17
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)n2)nc1CC,CHEMBL430019,6.33
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ccc(C)cn2)nc1CC,CHEMBL402717,6.34
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ncccc2C)nc1CC,CHEMBL400156,6.29
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC,CHEMBL250814,7.28
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(C)c(Oc2cc(C)ccn2)nc1C,CHEMBL251006,5.91
+CCc1nc(N(C)[C@@H]2c3ccccc3C[C@@H]2OC)c(CC)nc1Oc1cc(C)ccn1,CHEMBL248577,5.9
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC,CHEMBL251397,6.65
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC(C)C,CHEMBL251200,7.66
+CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC,CHEMBL398258,7.52
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)c2)nc1CC,CHEMBL251199,6.36
+CCO[C@H]1Cc2ccccc2[C@@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC,CHEMBL399877,5.26
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC(C)=O,CHEMBL251034,5.69
+CCc1nc(Oc2ccccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF,CHEMBL398425,6.58
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF,CHEMBL398531,7.96
+CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC,CHEMBL250282,7.46
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC(C)C)c1ccccc1,CHEMBL249430,6.47
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(CO)c1ccccc1,CHEMBL249012,5.33
+CCc1nc(Oc2ncccc2C)c(CC)nc1NC(CC)c1ccccc1,CHEMBL248816,5.61
+Cc1ccnc(Oc2nc(C)c(NC(c3ccccc3)C(C)C)nc2C)c1,CHEMBL398300,5.62
+CCC(Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1,CHEMBL248623,5.67
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(c1ccccc1)C(C)C,CHEMBL449657,6.28
+CCOCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1,CHEMBL250618,6.42
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C)c1ccccc1,CHEMBL401327,6.6
+CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(CC)c1ccccc1,CHEMBL250617,7.23
+CCC(CC)Nc1nc(C)c(Nc2ncc(Cl)cc2Cl)nc1C,CHEMBL249191,5.4
+CCc1nc(NC(CC)CC)c(CC)nc1Nc1cccc(C)n1,CHEMBL400531,5.47
+CCc1nc(NC(CC)CC)c(CC)nc1Nc1ccc(Cl)cc1,CHEMBL248588,5.57
+CCc1nc(NC(CC)CC)c(CC)nc1Nc1c(Cl)cc(Cl)cc1Cl,CHEMBL248585,5.81
+CCc1nc(NC(CC)CC)c(CC)nc1Nc1ncc(Cl)cc1Cl,CHEMBL250616,6.94
+CCCN(CC1CC1)c1nc(C)c(Oc2cc(C)ccn2)nc1C,CHEMBL400155,5.92
+CCCN(CCC)c1nc(C)c(Oc2cc(C)ccn2)nc1C,CHEMBL250615,5.93
+CCCN(CCC)c1nc(CC)c(Oc2cc(C)ccn2)nc1CC,CHEMBL400154,6.15
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12,CHEMBL252688,7.49
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc12,CHEMBL252494,7.39
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc12,CHEMBL404560,7.52
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCN(C)CC2)c2ccccc12,CHEMBL252493,6.28
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCCC2)c2ccccc12,CHEMBL252492,6.92
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC2)c2ccccc12,CHEMBL404559,6.76
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN(C)C)c2ccccc12,CHEMBL252302,6.58
+CCCN(CCn1ccnc1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL252301,5.97
+CCCN(CCN1CCCC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL404558,6.67
+CCCNc1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL253915,6.78
+COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12,CHEMBL253914,8.15
+CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL404351,8.3
+CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL253913,8.05
+CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL253701,7.31
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(OC)cc2C)c2ccccc12,CHEMBL253700,7.59
+CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12,CHEMBL253699,7.88
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12,CHEMBL438888,8.12
+CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12,CHEMBL253493,7.77
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)c2ccccc12,CHEMBL253492,7.38
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12,CHEMBL253491,7.44
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2C)c2ccccc12,CHEMBL404171,7.55
+CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc12,CHEMBL253287,7.68
+CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2)c2ccccc12,CHEMBL253286,6.02
+CCCN(CCC)c1c(C)nc(-c2ccccc2Cl)c2ccccc12,CHEMBL403745,5.77
+CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)c2ccccc12,CHEMBL253084,6.99
+CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C,CHEMBL270948,7.92
+CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C,CHEMBL270738,8.07
+CCC(CC)Oc1c(C)nc(-c2c(OC)cc(C(F)F)cc2OC)nc1OC,CHEMBL498667,8.05
+CCC(CC)Oc1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC,CHEMBL497653,8.05
+CCC(CC)Oc1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL497652,8.1
+CCC(CC)Nc1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL451660,7.03
+CCCN(CCC)c1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC,CHEMBL525716,8.7
+CCCN(CCC)c1c(C)nc(-c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)nc1OC,CHEMBL497651,8.22
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)nc1OC,CHEMBL526829,6.45
+CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC,CHEMBL510224,6.56
+CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)nc1OC,CHEMBL526828,6.29
+CCCN(CCC)c1c(CC(C)(C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL523074,6.22
+CCCN(CCC)c1c(CC(C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL496269,5.94
+CCCc1nc(-c2c(C)cc(C)cc2OC)nc(OC)c1N(CCC)CCC,CHEMBL497287,7.12
+CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL524617,7.66
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OCCO,CHEMBL497286,5.79
+CCCOc1nc(-c2c(C)cc(C)cc2OC)nc(C)c1N(CCC)CCC,CHEMBL527030,7.28
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OCC,CHEMBL498318,7.8
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1Cl,CHEMBL498319,7.48
+CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC,CHEMBL497301,7.82
+CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)nc1C,CHEMBL498480,6.25
+CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3Cl)c(C)nc12,CHEMBL498311,9.7
+COCC(COC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12,CHEMBL524616,8.7
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL568606,7.89
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1OC,CHEMBL583237,7.13
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C#N)cc1C,CHEMBL567164,7.0
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C#N)cc1C#N,CHEMBL583223,6.2
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)cc1C,CHEMBL567538,6.56
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)nc1C,CHEMBL568665,7.37
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)nc1OC,CHEMBL568685,7.77
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1cnc(N(C)C)cc1C,CHEMBL584472,6.74
+CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)nc1C,CHEMBL576639,6.24
+CCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL567383,6.93
+COCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL583005,6.71
+CCCN(CCO)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566910,6.89
+CCCN(CC(=O)N(C)C)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566911,5.85
+CCCNCc1nnc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)o1,CHEMBL568607,6.0
+CCCNCc1noc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)n1,CHEMBL568188,7.08
+CCCNCc1nc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)no1,CHEMBL566938,6.91
+CCCNCc1nccn1Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL567741,6.4
+CCCNCc1cncn1Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL567382,5.6
+CC[C@@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL577239,6.87
+CC[C@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566912,6.68
+CCC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566073,7.12
+CCC[C@@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL569202,6.24
+CC[C@@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL568397,6.21
+CC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566939,5.95
+CCC(CC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL565442,7.38
+CCCC(CCC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C,CHEMBL566279,7.46
+CCCC(CCOC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C,CHEMBL568656,6.88
+CCC(CC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C,CHEMBL576664,7.07
+CCCC(CCC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C,CHEMBL569666,7.49
+CCCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C,CHEMBL576049,8.05
+Cc1cc(C)c(N2CCCn3c2nc(C)c3C(=O)N(CC2CC2)CC2CC2)c(C)c1,CHEMBL1077158,5.47
+CCCN(CC1CCC1)C(=O)c1c(C)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1085431,5.48
+CCCN(CCc1ccccc1)C(=O)c1c(C)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1083513,5.77
+CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1086163,5.64
+CCCN(CC1CC1)C(=O)c1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1086164,5.92
+CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1,CHEMBL1087164,7.49
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN(CC2CC2)CC(F)(F)F)c(C)c1,CHEMBL1087165,8.1
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN(CC2CC2)CC(F)(F)C(F)(F)F)c(C)c1,CHEMBL1087166,7.85
+C=CCN(CC=C)C(=O)c1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1087167,7.72
+CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CCC1,CHEMBL1088478,7.68
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN(CC2CCC2)CC(F)(F)F)c(C)c1,CHEMBL1088624,7.57
+CCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1,CHEMBL1088625,7.51
+CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1088626,7.17
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN(CCc2ccccc2)CC(F)(F)F)c(C)c1,CHEMBL1087803,7.42
+C=CCN(CCC)Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1077156,7.32
+CCCN(CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C,CHEMBL1087804,7.2
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCCCC2)c(C)c1,CHEMBL1087805,6.61
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CC=CCC2)c(C)c1,CHEMBL1087172,6.44
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCOCC2)c(C)c1,CHEMBL1087173,5.82
+Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCSCC2)c(C)c1,CHEMBL1087174,6.36
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3ccc(OC)cc3C)c(Cl)cn12)CC1CC1,CHEMBL1083922,7.89
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3Cl)c(Cl)cn12)CC1CC1,CHEMBL1083921,8.38
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)ccn12)CC1CC1,CHEMBL1083920,6.33
+CCCN(CC1CC1)C(=O)c1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083299,7.48
+CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1086259,7.21
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCSCC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086017,6.04
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCOCC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086016,5.77
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CC=CCC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086015,6.12
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(C)CC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082444,5.49
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCC(C)C4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082443,5.24
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCCC4C)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082442,5.8
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCCC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082441,5.92
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(c5ccccc5)C4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1085088,6.21
+Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCC4Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086061,6.72
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086059,5.72
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCc4ccccc4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1086522,6.46
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccncc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1084722,5.12
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4cccnc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083119,5.72
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccccn4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082807,5.37
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1084184,6.82
+CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1086504,8.22
+CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083102,7.68
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)Cc4ccco4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083101,6.74
+CCN(Cc1ccccc1C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083720,5.32
+CCN(Cc1ccc(Cl)c(Cl)c1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1084565,6.24
+CCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1084564,6.46
+CCCN(Cc1ccc(F)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1084297,6.46
+CCCN(Cc1cccc(F)c1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083613,6.59
+CCCN(Cc1ccc([N+](=O)[O-])cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083612,6.82
+CCCN(Cc1ccc(Cl)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083611,7.55
+CCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083608,6.77
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082339,6.8
+CCCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1086380,6.89
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(Cl)cc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082338,7.92
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(Cc4ccc(F)cc4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083593,6.8
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(F)cc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082963,7.47
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4cccc(F)c4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083036,7.31
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083035,7.37
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082720,6.96
+CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1082697,7.28
+CCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1086594,7.89
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC4CC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1082696,8.2
+CCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CCC1,CHEMBL1084511,7.8
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CC4CCC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1084235,7.89
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CCC1,CHEMBL1083952,8.28
+C=C(C)CN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1085518,7.17
+C=CCN(CC=C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1085265,7.89
+C=CCN(CCC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1084999,8.35
+CCCCN(C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1082368,6.51
+CCCCN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1086142,7.11
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC(F)(F)C(F)(F)F,CHEMBL1085989,6.36
+CCCN(CCC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1082686,7.16
+CCCN(CCOC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1082685,7.49
+CCCN(CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,CHEMBL1083935,7.92
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC(F)(F)F,CHEMBL1082302,8.08
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083320,7.8
+CCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CC1,CHEMBL1083319,8.05
+Cc1cc(C)c(-n2c(Cl)cn3c(CN(CC4CC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,CHEMBL1083933,8.28
+CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CC1,CHEMBL1086468,8.04
+COc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1,CHEMBL1287848,7.2
+CCN(Cc1nc(C)no1)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12,CHEMBL1287877,8.3
+COc1ccc(-c2c(C)nn3c(NC(C)c4nc(C)no4)cc(C)nc23)c(C)c1,CHEMBL1287878,7.6
+CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1,CHEMBL1287904,8.1
+CC[C@@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1,CHEMBL1287905,8.0
+CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1,CHEMBL1287935,8.2
+COc1ccc(-c2c(C)nn3c(NC4(c5nc(C)no5)CC4)cc(C)nc23)c(C)c1,CHEMBL1287936,7.5
+COc1ccc(-c2c(C)nn3c(NC4(c5nc(C)no5)CCC4)cc(C)nc23)c(C)c1,CHEMBL1287965,7.3
+COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1,CHEMBL1287966,7.5
+CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nnc(C)o1,CHEMBL1287996,7.0
+COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1,CHEMBL1287997,6.6
+COc1ccc(-c2c(C)nn3c(NC(C)Cc4noc(C)n4)cc(C)nc23)c(C)c1,CHEMBL1288026,7.1
+CCC(Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12)c1nc(C)no1,CHEMBL1288027,7.3
+CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12)c1nc(C)no1,CHEMBL1288058,7.3
+CCN(CCN)c1nc(C)nc2c1c1ccccc1n2-c1c(C)cc(C)cc1C,CHEMBL1771267,5.35
+CCCN(CCC)c1c(C)ncc2c(-c3ccc(Cl)cc3Cl)cccc12,CHEMBL1806727,6.99
+CCc1nc(-c2ccc(OC(F)F)cc2Cl)c(OC)nc1NC(CC)CC,CHEMBL1807059,8.6
+CCc1nc(-c2ccc(OC)cc2Cl)c(OC)nc1NC(CC)CC,CHEMBL1807058,8.96
+CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NC(CC)CC,CHEMBL1807057,8.21
+CCOc1ccc(-c2nc(OC)c(NC(CC)CC)nc2C)c(Cl)c1,CHEMBL1807056,8.23
+CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)F)cc2Cl)nc1OC,CHEMBL1807055,8.34
+CCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1OC,CHEMBL1807054,8.89
+CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC,CHEMBL1807053,9.0
+CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC(F)F)cc1Cl,CHEMBL1807052,8.85
+CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC)cc1C(F)(F)F,CHEMBL1807051,8.66
+CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(C(F)(F)F)cc1OC,CHEMBL1807050,8.36
+CCc1cc(OC)ccc1-c1nc(OC)c(NC(CC)CC)nc1CC,CHEMBL1807049,8.72
+CCc1nc(-c2ccc(Cl)cc2Cl)c(OC)nc1NC(CC)CC,CHEMBL1807048,8.1
+CCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1C,CHEMBL1807043,7.84
+CCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1OC,CHEMBL1807042,8.08
+CCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1OC,CHEMBL1807041,8.37
+CCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C,CHEMBL1807040,7.57
+CCc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1NC(CC)CC,CHEMBL1807039,8.07
+CCc1nc(NC(CC)CC)c(C)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807038,7.27
+CCCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC,CHEMBL1807037,5.44
+CCOc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC,CHEMBL1807036,6.82
+CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807035,8.23
+CCc1nc(NC(CC)CC)c(I)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807034,7.92
+CCc1nc(NC(CC)CC)c(Cl)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807033,7.15
+CCc1nc(NC(CC)CC)c(F)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807032,6.78
+CCc1nc(NC(CC)CC)cnc1-c1ccc(Cl)cc1Cl,CHEMBL1807031,6.26
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1CC(CC)CC,CHEMBL1807030,7.17
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1SC(C)CC,CHEMBL1807029,6.4
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1OC(CC)CC,CHEMBL1807028,7.34
+CCCN(CCN(C)C)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC,CHEMBL1807027,5.81
+CCc1nc(N(CCOC)CCOC)c(CC)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807026,6.89
+CCCN(CC1CC1)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC,CHEMBL1807025,7.72
+CCc1nc(N(CC2CC2)CC2CC2)c(CC)nc1-c1ccc(Cl)cc1Cl,CHEMBL1807024,7.59
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C)CN(C)C,CHEMBL1807023,6.31
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(COC)COC,CHEMBL1807022,6.65
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C1CC1)C1CC1,CHEMBL1807021,8.43
+CCc1nc(-c2cnc(OC)nc2OC)c(CC)nc1NC(CC)CC,CHEMBL1807020,7.76
+CCc1nc(-c2ccc(OC)nc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806958,7.94
+CCc1nc(-c2cnc(C)cc2N(C)C)c(CC)nc1NC(CC)CC,CHEMBL1806957,8.12
+CCc1nc(-c2ccc(OC)cc2C(F)(F)F)c(CC)nc1NC(CC)CC,CHEMBL1806956,8.36
+CCc1nc(-c2ccc(OC)cc2OC(F)(F)F)c(CC)nc1NC(CC)CC,CHEMBL1806736,8.39
+CCc1nc(-c2ccc(OC)cc2O)c(CC)nc1NC(CC)CC,CHEMBL1806735,5.93
+CCc1nc(-c2ccc(C(F)(F)F)cc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806734,8.25
+CCc1nc(-c2ccc(C)cc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806733,7.63
+CCc1nc(-c2ccc(OC(C)C)cc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806732,8.38
+CCOc1ccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c(OC)c1,CHEMBL1806731,8.11
+CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806730,8.14
+CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC(CC)CC,CHEMBL1806729,8.14
+CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC,CHEMBL1806728,8.39
+COc1ccc(-n2ncc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1,CHEMBL1836950,7.49
+COc1ccc(-n2cnc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1,CHEMBL1836931,7.33
+COc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836932,7.72
+COc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1,CHEMBL1836933,7.85
+COCc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC)cc1,CHEMBL1836934,6.8
+COc1ccc(-n2c(CC3CC3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836935,6.51
+COc1ccc(-n2c(CC(C)C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836936,6.22
+COc1ccc(-n2c(C3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836937,6.06
+COc1ccc(-n2c(C3CC(F)(F)C3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836938,6.58
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(C#N)cc3)c2n1,CHEMBL1836939,7.21
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(S(C)(=O)=O)cc3)c2n1,CHEMBL1834003,6.85
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(Cl)cc3)c2n1,CHEMBL1836940,7.96
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(F)cc3)c2n1,CHEMBL1836941,7.04
+CCOc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1,CHEMBL1836942,7.7
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(OC(F)(F)F)cc3)c2n1,CHEMBL1836943,8.05
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(OC(F)F)cc3)c2n1,CHEMBL1836944,8.3
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(OC(F)F)cc3Cl)c2n1,CHEMBL1836945,9.43
+COc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(Cl)c1,CHEMBL1836946,7.92
+COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc21,CHEMBL1836947,9.54
+Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(OC(F)F)cc3F)c2n1,CHEMBL1836948,8.15
+CCCCN(CC)c1nc(C)nc2c1c(C)c(CO)n2-c1c(C)cc(C)cc1C,CHEMBL1934749,8.22
+CCCCN(CC)c1nc(C)nc2c1c(C)c(C=O)n2-c1c(C)cc(C)cc1C,CHEMBL1934750,7.28
+CCCCN(CC)c1nc(C)nc2c1c(C)c(COC)n2-c1c(C)cc(C)cc1C,CHEMBL1934751,7.96
+CCc1nn2c(-c3c(OC)cc(COC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1,CHEMBL2087549,7.96
+COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Br)cc3Cl)c(C)nn12,CHEMBL1762817,8.7
+COCCN(CCOC)Cc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12,CHEMBL2165205,8.77
+CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc21,CHEMBL2165203,8.77
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1Br,CHEMBL3628728,8.89
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br,CHEMBL186252,8.62
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1CC,CHEMBL3628729,8.6
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Br,CHEMBL3628730,8.6
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1Cl,CHEMBL3628731,8.57
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl,CHEMBL186203,8.47
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(I)cc1C,CHEMBL3628732,8.47
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1C,CHEMBL3628733,8.41
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C,CHEMBL189089,8.4
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)(C)C)cc1Br,CHEMBL3628734,8.38
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1C,CHEMBL3628735,8.36
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1Br,CHEMBL3628736,8.36
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1Cl,CHEMBL3628737,8.36
+CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1C,CHEMBL3628738,8.27
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O,CHEMBL439883,9.1
+CCCCN(CC)c1cc(C)nc2c1N(C)C(=O)CN2c1ccc(Br)cc1Br,CHEMBL3628740,8.62
+Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2,CHEMBL3628741,6.74
+CCN(C)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br,CHEMBL3628742,7.79
+CCCN(CCC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br,CHEMBL3628743,8.51
+Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2CCF,CHEMBL3627731,7.23
+CCN(CC)c1cc(C)nc2c1N(CCF)C(=O)CN2c1ccc(C(C)C)cc1Br,CHEMBL3628744,8.14
+Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2C/C=C/CF,CHEMBL3628745,7.85
+Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2CCCCF,CHEMBL3628746,7.67
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+CCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC2CCCCC2)C(=O)NC(CC(=O)O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(N)=O)C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC1=O,CHEMBL3775307,8.95
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diff --git a/chembl_200/CHEMBL1801.csv b/chembl_200/CHEMBL1801.csv
new file mode 100644
index 0000000000000000000000000000000000000000..90f16f039f42d8f5fca1e9b42eedab445c3c5349
--- /dev/null
+++ b/chembl_200/CHEMBL1801.csv
@@ -0,0 +1,535 @@
+N=C(N)Nc1ccncc1,CHEMBL298550,4.77
+COc1ccc(/C=C/c2cc(Cl)cnc2NC(=N)N)cc1,CHEMBL54894,4.37
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL3349045,8.11
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(c3ccccc3)c3ccccc3)O[C@@H]1C2,CHEMBL418050,8.52
+CC1(C)C2CC1[C@]1(C)OB(C(CCCC(=S)NN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL2448441,11.0
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36744,7.92
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL290577,8.26
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL287918,7.62
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291026,8.54
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288176,7.89
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL285285,8.35
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,CHEMBL73737,8.49
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1,CHEMBL436454,6.31
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+CCC1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL108447,5.95
+CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109367,6.11
+CC(C)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111471,6.26
+CCc1ccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1,CHEMBL111660,5.41
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1,CHEMBL418839,6.02
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)NCC4)ccc2c1,CHEMBL111338,6.08
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+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1,CHEMBL111543,5.97
+N#Cc1ccc2cc(NC(=O)c3ccccc3)ccc2c1,CHEMBL109287,5.25
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,CHEMBL323387,6.12
+CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL442201,6.2
+CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109535,5.92
+C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1,CHEMBL80149,4.08
+N=C(N)c1ccc(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL448786,4.18
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CCC(COC(=O)N5CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC5)(CC3)CC4)CC2)cc1,CHEMBL432172,5.52
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+COc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL96493,4.6
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+N=C(N)c1ccc2nc(-c3cccc([N+](=O)[O-])c3O)[nH]c2c1,CHEMBL327789,4.82
+N=C(N)c1ccc2nc(-c3cc(F)ccc3O)[nH]c2c1,CHEMBL92277,4.68
+N=C(N)c1ccc2nc(-c3cccc(Br)c3O)[nH]c2c1,CHEMBL330244,5.77
+N=C(N)c1ccc2nc(-c3cccc(F)c3O)[nH]c2c1,CHEMBL96494,5.26
+N=C(N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1,CHEMBL319997,4.48
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1,CHEMBL316334,5.68
+N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1,CHEMBL433501,4.34
+N=C(N)c1ccc2nc(-c3cc(Br)ccc3O)[nH]c2c1,CHEMBL94254,4.54
+CCN(CC)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL330460,4.1
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1,CHEMBL94775,6.72
+Cc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL433179,4.22
+Cn1c(-c2cccc(-c3ccccc3)c2O)nc2ccc(C(=N)N)cc21,CHEMBL96428,4.92
+N=C(N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL318363,5.26
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1,CHEMBL321510,4.59
+COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL94139,4.72
+Cc1cc(Br)c(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL95097,5.49
+Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL92964,4.22
+Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL92865,4.46
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL107592,5.18
+CNC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL108354,5.6
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2)c(C(C)C)c1,CHEMBL324188,5.59
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1,CHEMBL106869,4.92
+COC(=O)C1CCCCN1C(=O)C(Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,CHEMBL105875,6.0
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1,CHEMBL319868,4.99
+COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,CHEMBL108058,6.0
+COC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL326866,5.74
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL106079,5.4
+CNC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,CHEMBL110628,6.4
+CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL322830,5.52
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1,CHEMBL318304,5.145
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1,CHEMBL104241,5.15
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCCC2)c(C(C)C)c1,CHEMBL107203,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCOCC2)c(C(C)C)c1,CHEMBL106412,5.35
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCCCC2)c(C(C)C)c1,CHEMBL320285,5.49
+COC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL318773,5.85
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCC2)c(C(C)C)c1,CHEMBL107140,5.02
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCC(C(=O)O)C2)c(C(C)C)c1,CHEMBL320257,5.09
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1,CHEMBL107210,5.11
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)O)CC2)c(C(C)C)c1,CHEMBL323452,4.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2C(=O)O)c(C(C)C)c1,CHEMBL106395,5.82
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL108468,5.92
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1,CHEMBL107256,5.11
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL106035,5.15
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C)CC2)c(C(C)C)c1,CHEMBL105935,4.68
+N=C(N)c1ccc(OCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL102148,5.09
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)cc1,CHEMBL101067,4.22
+N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101672,5.42
+CCC(=O)c1cc2ccc(C(=N)N)cc2[nH]1,CHEMBL321960,4.21
+N=C(N)c1ccc2c(ccn2Cc2ccc([N+](=O)[O-])cc2N)c1,CHEMBL101559,4.0
+N=C(N)c1ccc(OCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101261,5.41
+N=C(N)c1cccc(Cn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101726,4.18
+N=C(N)c1ccc2c(C=O)c[nH]c2c1,CHEMBL317713,4.37
+N=C(N)c1ccc(OCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL103649,5.09
+N=C(N)c1ccc2c(ccn2CCCCn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101027,5.53
+N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL99951,5.58
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL43938,4.21
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(COC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)cc3)CC2)cc1,CHEMBL297220,8.22
+CN(C)C(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107627,5.31
+CN1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107911,4.52
+N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1,CHEMBL107282,4.68
+CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(C(=N)N)c1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)C2,CHEMBL319035,4.85
+CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322901,5.28
+Cc1c(C)c(S(=O)(=O)N[C@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL107743,4.99
+N=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL51173,4.52
+N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL322165,5.48
+CS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107392,5.05
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL137780,4.72
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL135815,4.57
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1,CHEMBL135998,4.24
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1,CHEMBL336844,4.28
+N=C(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(C(=N)N)cc2)C(=O)O)cc1,CHEMBL341933,4.24
+Cc1ccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)cc1,CHEMBL109274,5.14
+COc1ccc(C(=O)O)cc1-c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL111512,5.32
+N=C(N)Nc1nccc2c(-c3ccccc3)cccc12,CHEMBL111036,4.32
+CC(O)c1ccc2ccnc(NC(=N)N)c2c1,CHEMBL113532,4.62
+COc1ccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)cc1,CHEMBL109849,5.52
+N=C(N)Nc1nccc2ccc(-c3ccccc3)cc12,CHEMBL323241,4.32
+N=C(N)Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,CHEMBL432422,5.49
+COc1ccccc1-c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL320493,4.84
+N=C(N)Nc1nccc2ccc(-c3ccc4c(c3)OCO4)cc12,CHEMBL111452,4.92
+N#Cc1cccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)c1,CHEMBL112785,5.39
+N=C(N)Nc1nccc2ccc(Br)cc12,CHEMBL321848,4.29
+N=C(N)Nc1nccc2ccccc12,CHEMBL321822,4.17
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL97597,5.28
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,CHEMBL104426,5.14
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,CHEMBL318175,4.72
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1,CHEMBL322622,5.64
+CN(C)C(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL262805,5.21
+CN1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107429,4.26
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL104192,4.92
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccccc2)CC1,CHEMBL104930,4.54
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,CHEMBL104970,5.59
+CCCCCC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL326013,5.59
+CCCCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322404,4.96
+CC1(C)C2CCC1(CCS(=O)(=O)NC(Cc1cccc(C(=N)N)c1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)C2,CHEMBL318177,4.695
+CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL421411,4.85
+CCCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107132,5.11
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1,CHEMBL104872,4.38
+COc1cc(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1C,CHEMBL105439,4.74
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(Cc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL106718,4.82
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL420476,5.2
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL321162,5.3
+CCCC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL450936,5.07
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322437,5.6
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL105569,5.52
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1,CHEMBL317271,4.99
+CCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL323304,5.46
+Cc1c(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL317199,4.52
+COC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL320393,5.55
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL320937,4.96
+CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107188,5.08
+CCN(CC)C(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107522,4.85
+N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL417020,5.82
+Cc1ccc(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54311,4.68
+N=C(N)c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL49987,5.66
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50933,5.34
+CC(C)(C(=O)O)c1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL51338,5.52
+N=C(N)c1ccc2[nH]c(-c3cc(CCCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50649,5.82
+Cc1cc(C)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54093,5.0
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCCc2ccccc2)c1,CHEMBL297961,4.49
+N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL299009,5.77
+N=C(N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53478,5.38
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCc2ccccc2)c1,CHEMBL53848,5.06
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50924,5.74
+Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54018,6.0
+N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53829,5.92
+N=C(N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1,CHEMBL24827,4.47
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(OC4CCNCC4)cc3)cc2C1,CHEMBL148323,4.6
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(C)=N)CC2)cc1,CHEMBL344281,4.6
+CC1(C)CC(=O)C=C(N2CC[C@H](Oc3ccc(C(Oc4ccc5c(c4)CN(C(=N)N)CC5)C(=O)O)cc3)C2)C1,CHEMBL147789,4.3
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCOCC2)cc1,CHEMBL357832,4.59
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCNC2)cc1,CHEMBL144079,4.4
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(OC4CCOCC4)cc3)cc2C1,CHEMBL147707,4.6
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C3=CC(=O)CC(C)(C)C3)C2)cc1,CHEMBL356973,4.3
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(C)=O)CC2)cc1,CHEMBL358566,5.0
+C=CCOC(=O)N1CC[C@H](Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)C1,CHEMBL144637,5.0
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)N)CC2)cc1,CHEMBL146940,4.6
+C=CCN1CC[C@H](Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)C1,CHEMBL342568,4.3
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCNCC2)cc1,CHEMBL147436,4.6
+CC(=N)N1CC[C@H](Oc2ccc([C@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL539053,4.747
+C=CCOC(=O)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)CC1,CHEMBL435028,4.85
+N=C(N)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)CC1,CHEMBL148357,4.36
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C(=N)N)C2)cc1,CHEMBL344309,4.35
+CC(=N)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)CC1,CHEMBL344305,4.28
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1,CHEMBL148343,5.0
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL96433,7.0
+N=C(N)c1ccc2nc(-c3c(O)cccc3O)[nH]c2c1,CHEMBL93269,5.12
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL92251,5.39
+N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL327715,5.3
+N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,CHEMBL328772,6.6
+N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1,CHEMBL92883,6.54
+N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1,CHEMBL92250,4.39
+N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1,CHEMBL284805,4.92
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,CHEMBL330234,6.05
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1,CHEMBL91962,6.46
+COc1c(-c2ccccc2)cccc1-c1cc2cc(C(=N)N)ccc2[nH]1,CHEMBL318526,4.59
+CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCCN)C1CSCCC1=O,CHEMBL2370338,4.3
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL107955,6.41
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL420540,5.13
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7962,4.32
+N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1,CHEMBL135723,5.92
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,CHEMBL330572,5.64
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4O)C3=O)cc2c1,CHEMBL93854,5.63
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431267,5.44
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1,CHEMBL328893,5.35
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431281,5.82
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL90741,5.24
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1,CHEMBL93151,5.14
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1,CHEMBL1907779,5.21
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1,CHEMBL1907778,5.4
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1,CHEMBL415741,4.23
+COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL159162,4.96
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL346117,4.49
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1,CHEMBL158814,4.77
+N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158939,6.82
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL158405,6.27
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL156858,4.37
+CC(C)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(C(=N)N)cc2)cc(C(C)C)c1C(C)C,CHEMBL157131,4.12
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL345435,5.62
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL433510,6.82
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158936,4.96
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL327600,5.33
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1,CHEMBL93796,5.33
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1,CHEMBL331943,5.36
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1,CHEMBL44050,6.85
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)c1,CHEMBL70328,5.46
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1,CHEMBL31967,4.97
+COc1cccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1,CHEMBL29205,5.16
+CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(O)c2)cs1,CHEMBL28849,4.49
+O=C(CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL339593,5.15
+O=C(CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL339594,4.0
+CC(C)COc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62492,5.66
+C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62807,5.96
+N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,CHEMBL64579,6.51
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1Cl,CHEMBL305349,6.0
+CC(C)COc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62836,5.57
+CCOc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62378,5.8
+C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL61442,5.51
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCNC4)c3O)nc2cc1F,CHEMBL303978,4.68
+C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL293892,5.59
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F,CHEMBL302913,5.8
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCNC4)c3O)nc2cc1F,CHEMBL61791,4.33
+CCOc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL293657,6.19
+N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCN4)c3O)nc2cc1F,CHEMBL62397,4.57
+N=C(N)c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1,CHEMBL303992,6.22
+CCOc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62753,5.74
+CC(C)COc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL60831,6.19
+C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL416674,6.07
+C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)CC1,CHEMBL62509,5.77
+N=C(N)c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,CHEMBL62370,5.3
+CCOc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64838,5.8
+CC(C)COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64676,5.89
+C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)C1,CHEMBL294067,5.52
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCO4)c3O)nc2cc1F,CHEMBL62588,5.38
+N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,CHEMBL59704,7.0
+N=C(N)c1ccc(NC(=O)c2ccccc2O)cc1,CHEMBL64708,4.05
+COc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12,CHEMBL303970,4.26
+Cc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1O,CHEMBL412448,4.74
+N=C(N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,CHEMBL292977,5.4
+Cc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL64096,5.22
+CC(C)Oc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12,CHEMBL304219,4.12
+Cc1cc(Br)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL61327,5.36
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL64097,6.54
+N=C(N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1,CHEMBL264760,4.57
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(F)c2)c1,CHEMBL293260,5.26
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1,CHEMBL320233,7.42
+CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL104211,7.28
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL319047,6.49
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL321319,7.25
+N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1,CHEMBL103043,5.42
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL104505,7.05
+CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1,CHEMBL421214,6.72
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1,CHEMBL105395,6.4
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,CHEMBL104166,6.82
+N=C(N)c1ccc2cccc(N)c2c1,CHEMBL319264,5.18
+COc1ccc2ccc(C(=N)N)cc2c1C1CCOC1,CHEMBL320817,5.22
+COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1,CHEMBL321944,5.07
+COc1ccc2ccc(C(=N)N)cc2c1-c1ccoc1,CHEMBL104904,5.03
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1,CHEMBL92530,5.21
+CNC(=N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O,CHEMBL431814,4.85
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CCCCC1)B(O)O,CHEMBL419892,6.6
+NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL99309,6.77
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)B(O)O,CHEMBL290376,8.29
+CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL330206,6.85
+CN(CC(=O)N[C@@H](CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1,CHEMBL95940,6.34
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CC1)B(O)O,CHEMBL317137,6.8
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL317682,6.6
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O,CHEMBL101759,6.64
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,CHEMBL48361,5.77
+COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL18767,6.52
+N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncn4)CC3)cc2C1,CHEMBL195428,4.11
+CC(=N)N1CCC(Oc2ccc(C(Cc3ccc4cc[n+](C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL180677,4.64
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)ccc2c1,CHEMBL185345,5.92
+N=C(N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL181595,6.24
+CC(C)Oc1cccc(C2CC2c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL182309,5.61
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)ccc2c1,CHEMBL426433,5.45
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Br)c2c1,CHEMBL182220,5.99
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Br)c2c1,CHEMBL360703,5.87
+CC(C)C1=NCCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL179941,5.98
+CC(C)C1=NCCc2ccc([C@H]3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL183021,5.83
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Br)c2c1,CHEMBL181599,6.62
+N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1,CHEMBL182303,6.23
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL360195,6.87
+N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1,CHEMBL182460,6.02
+CC(C)C1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C,CHEMBL185515,5.89
+CN1CCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc2C1C1CCCCC1,CHEMBL182547,6.09
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL362600,6.56
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL182959,6.61
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1,CHEMBL266349,5.74
+NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1,CHEMBL379174,5.39
+NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1,CHEMBL377651,5.54
+NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1,CHEMBL536972,6.04
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,CHEMBL211561,6.37
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL379068,5.55
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL437307,5.57
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212577,5.35
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212014,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL379194,5.62
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL378657,5.3
+N=C(N)NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c1,CHEMBL378192,5.74
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)CCN)cc2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211401,5.92
+N=C(N)NCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)cc1,CHEMBL380221,5.92
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1,CHEMBL380220,6.08
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1,CHEMBL378643,5.85
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL209794,6.12
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL379357,5.85
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1,CHEMBL210189,6.68
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL211659,5.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL210815,6.14
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL377627,6.0
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL378830,5.7
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL210771,4.7
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL212310,5.77
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211939,5.85
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(=N)N)CC2)c1,CHEMBL211209,5.51
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCNCC2)c1,CHEMBL209586,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=N)N)CC2)c(C(C)C)c1,CHEMBL211754,5.74
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL212538,6.1
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N2CCC(C(=O)NCCN)CC2)c1,CHEMBL3706845,5.51
+N=C(N)NCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706846,5.39
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL438959,6.48
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL211367,5.85
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL379586,6.22
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL379186,5.89
+Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C)c2c1OC(C)(C)C2,CHEMBL211794,4.99
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)CCc2cccc3ccccc23)CC1,CHEMBL211549,5.38
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL209334,4.92
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL426501,5.43
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL379958,5.51
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL212271,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL208586,6.59
+CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)cc1,CHEMBL379957,5.6
+CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706844,5.22
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCN)CC2)c(C(C)C)c1,CHEMBL377763,6.03
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL211086,6.11
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212031,5.74
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)CC1,CHEMBL379075,5.49
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706847,5.14
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL209963,6.44
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL209910,6.36
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CN)CC2)c(C(C)C)c1,CHEMBL209841,5.47
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210386,6.09
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCN)CC2)c(C(C)C)c1,CHEMBL379960,6.19
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212209,6.06
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL212616,6.36
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210244,5.85
+N=C(N)Nc1nccc2ccc(S(N)(=O)=O)cc12,CHEMBL227583,4.89
+CN1CCN(C(=O)C2(NS(=O)(=O)c3ccc4c(Cl)cnc(NC(=N)N)c4c3)CCCC2)CC1,CHEMBL226714,4.19
+CN(C)CCN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL227607,4.49
+CN1CCC(NS(=O)(=O)c2ccc3c(Cl)cnc(NC(=N)N)c3c2)(C(=O)O)CC1,CHEMBL227890,4.15
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCOCC3)cc12,CHEMBL227666,4.39
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCCC3)cc12,CHEMBL227976,4.41
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCC3)cc12,CHEMBL374378,4.85
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCC3)cc12,CHEMBL228170,4.8
+CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227421,4.57
+CC(C)[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL389056,4.35
+CC(C)[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227422,4.8
+C[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL223864,4.82
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)CC3CCCC3)cc12,CHEMBL227425,4.64
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc12,CHEMBL224689,5.01
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc12,CHEMBL374623,4.48
+N=C(N)Nc1nccc2ccc(S(=O)(=O)Nc3ccccc3)cc12,CHEMBL227781,5.49
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(NC(=N)N)cc1,CHEMBL238902,4.4
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468270,6.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL512118,6.34
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461870,6.3
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCO)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513339,5.59
+CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461440,5.46
+CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461441,5.68
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461655,6.26
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513818,7.07
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL466588,6.48
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL516786,6.74
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460378,6.92
+CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL518179,6.82
+CC(C)Oc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL499200,7.1
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC,CHEMBL453766,6.64
+CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460810,6.67
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468894,6.96
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccnc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468895,6.0
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL499274,6.42
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461016,6.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL469090,7.55
+Cc1nccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)n1,CHEMBL513007,6.68
+NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL459525,4.8
+NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2ccc(CN)cc2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL462253,4.19
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(CN)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL466585,6.11
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(=O)O)CC2)c1,CHEMBL495143,5.48
+COC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL498875,5.55
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL444411,5.8
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1,CHEMBL492342,5.54
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1,CHEMBL507322,5.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(N)=O)CC2)c1,CHEMBL493116,5.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL445195,5.55
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC(C(N)=O)C2)c1,CHEMBL493936,5.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCCC2)c1,CHEMBL493117,5.48
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCNCC2)c1,CHEMBL493118,5.59
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL493520,5.21
+CNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL443990,5.44
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL523865,4.87
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,CHEMBL506479,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,CHEMBL494128,5.03
+CC1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL493140,5.35
+COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492333,5.31
+COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492334,4.16
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@H]2C(=O)O)c1,CHEMBL495010,4.1
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL566340,5.22
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCNC(=N)N,CHEMBL569280,4.01
+N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809213,7.76
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1229259,7.41
+CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809214,5.82
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809216,7.2
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(c3ncccn3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809238,4.64
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809239,5.94
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809241,6.94
+CCC(NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809250,5.52
+CCC[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809251,5.68
+CC(C)[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809252,5.55
+C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809254,6.23
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(=N)N)cc1,CHEMBL1809256,6.79
+O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL1923468,4.8
+N=C(N)NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL2016865,9.09
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(c3)CNC(=O)CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016866,6.37
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016864,8.03
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016867,8.05
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016868,8.16
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016869,8.35
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016870,8.96
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC=CCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016871,8.6
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016872,8.84
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(c3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016873,9.11
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(n3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016874,8.66
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc([n+]3[O-])Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016875,8.05
+CCCCCCCCNC(=O)[C@@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1,CHEMBL2016876,6.28
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(=N)N,CHEMBL2016877,8.51
+O=C(CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL2016878,5.57
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)CNC(=O)CN1C[C@@H]2C,CHEMBL2315238,8.77
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315237,9.12
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315236,9.28
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C,CHEMBL2315235,8.79
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@H]2C,CHEMBL2315234,8.94
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+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315246,9.24
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+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315239,9.17
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+C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2332614,5.08
+N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2332607,5.48
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL2419745,5.13
+Cc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCN(C)CC1,CHEMBL3091519,4.54
+CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc(C2CC(C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127463,6.04
+N=C(N)c1cccc(N)c1,CHEMBL3247186,4.0
+N=C(N)c1ccc(C=C(O)C(=O)O)cc1,CHEMBL1231012,4.9
+N=C(N)c1cccc(OCCCOc2ccccc2)c1,CHEMBL3247193,4.7
+N=C(N)c1cccc(C(=N)Nc2cccc3ccccc23)c1,CHEMBL3247195,4.8
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)nc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289045,8.3
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(N)=O)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289041,8.1
+N=C(N)c1ccc(Oc2cc(Oc3ccc(NC(=O)CCN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289044,8.1
+N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289298,8.1
+N=C(N)c1cccc(COc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)c1,CHEMBL3289301,8.0
+N=C(N)c1ccc(Oc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289043,7.89
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289297,7.89
+N=C(N)c1ccc(COc2cc(OCc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289300,7.8
+N=C(N)c1ccc(COc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289042,7.66
+CC1CCC(C(=O)Nc2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289031,5.92
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC4CCCCC4C3)c2)cc1,CHEMBL3289028,5.82
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1,CHEMBL3289018,5.67
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCCCC3)c2)cc1,CHEMBL3289017,5.62
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289033,5.62
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289032,5.59
+CCOC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289026,5.58
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)Nc3ccc(F)cc3)c2)cc1,CHEMBL3289030,5.57
+CC1CCC(NC(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289019,5.44
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1,CHEMBL3289029,5.41
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)CC1,CHEMBL3398612,5.08
+CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL3623793,6.26
+CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL3623792,6.92
+C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC1=O,CHEMBL3623789,4.77
+CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O,CHEMBL3623788,4.84
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660184,9.0
+CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660172,8.74
+CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660185,9.22
+COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660183,9.15
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1,CHEMBL3660171,8.42
+COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660189,9.0
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660191,9.4
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660177,8.52
+CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660176,8.82
+CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660181,9.0
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660173,8.7
+CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660182,9.22
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1,CHEMBL3660187,8.66
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660186,9.6
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660188,8.3
+COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL3660190,8.57
+CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660180,9.1
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660179,8.82
+CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660175,9.1
+COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660178,8.92
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(C(=O)C3CC3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660174,9.22
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660192,8.1
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccccc3CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666822,7.69
+O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)N1,CHEMBL3666825,9.17
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666821,9.26
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCCNC(=O)c3cccc(c3)C(=O)NCCCC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666824,7.42
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3ccc(cc3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666826,8.27
+CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL3735263,5.01
+CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3735513,4.97
+CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3735217,4.9
+CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1,CHEMBL3754193,5.54
+COC(=O)Nc1ccc(-c2ccnc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)c2)cc1,CHEMBL3781319,4.9
diff --git a/chembl_200/CHEMBL1821.csv b/chembl_200/CHEMBL1821.csv
new file mode 100644
index 0000000000000000000000000000000000000000..98d169f0aa1076443efab1410e898694b0eda733
--- /dev/null
+++ b/chembl_200/CHEMBL1821.csv
@@ -0,0 +1,455 @@
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,6.26
+COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL130835,7.78
+COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL127273,7.82
+COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,CHEMBL27673,7.195
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL443780,7.73
+CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL24369,6.76
+CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285440,7.18
+CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL284137,8.34
+CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285898,6.68
+CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL286008,8.82
+O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112955,7.85
+O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL2112957,8.64
+O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1,CHEMBL369062,7.22
+O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112961,7.37
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,CHEMBL1346,8.07
+O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112956,7.52
+O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1,CHEMBL177040,7.13
+O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112959,7.51
+O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112958,7.96
+CCO/C(O)=C1\CN2CCCC(C2)C1=O,CHEMBL306462,5.59
+COC(=O)C1CC2CCCC1N2,CHEMBL64788,5.1
+CC(=O)OC(C)C[N+](C)(C)C,CHEMBL978,5.8
+CN1C2CCCC1C(OC(=O)C1CCCCC1)C2,CHEMBL313738,6.335
+O=C(OC1CC2CCCC1N2)c1ccccc1,CHEMBL84113,6.51
+CCC(=O)OC1CC2CCCC1N2C,CHEMBL440138,5.935
+CN1C2CCCC1C(OC(=O)c1ccccc1)C2,CHEMBL85190,6.215
+O=C(OC1CC2CCCC1N2)C1CCCCC1,CHEMBL82754,5.87
+COc1ccc([S@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114066,7.74
+C=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2114068,10.05
+COc1ccc([S@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115126,7.35
+COc1ccc([S@@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114064,7.89
+C=C(c1ccc([S@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2115128,9.49
+COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71124,10.15
+COc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL307810,8.66
+COc1ccc([S@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115127,7.82
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL71147,9.48
+COc1ccc([S@@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114067,7.75
+COc1ccc([S@@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2111540,7.83
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71971,7.73
+COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71531,8.04
+COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL553058,8.6
+CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL20732,4.91
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278074,5.74
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21321,5.91
+CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL279453,8.0
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21716,5.77
+CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21509,4.92
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21328,4.26
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL22108,6.39
+CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL279520,4.67
+CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1,CHEMBL424214,4.05
+CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21937,4.47
+CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL283320,4.61
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL279225,4.33
+CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL280684,4.9
+CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL265256,8.065
+CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21508,4.65
+CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278129,4.83
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL277642,7.992999999999999
+CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1,CHEMBL369575,5.38
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL564226,5.41
+CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1,CHEMBL423831,7.09
+CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL167223,6.48
+CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL354523,6.08
+Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352966,5.49
+CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL354678,6.18
+CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL169594,4.88
+CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355392,5.72
+CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL169680,5.08
+CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL172234,4.83
+CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL168223,4.06
+CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355560,5.13
+Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL354841,5.85
+COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352404,5.07
+CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355455,5.91
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1,CHEMBL170221,6.43
+CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355851,4.33
+CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1,CHEMBL168707,6.13
+CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL171216,6.22
+CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL170088,6.21
+CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL352779,4.57
+CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,CHEMBL172233,6.36
+COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL167027,5.38
+CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1,CHEMBL168704,6.34
+C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL1493369,6.53
+CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1,CHEMBL353290,6.19
+CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL355769,6.0
+CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL169494,5.62
+CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352723,5.7
+CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1,CHEMBL171102,6.89
+CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL434684,7.01
+CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL169401,5.77
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL335542,8.7
+CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL538793,7.1
+COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL136027,7.7
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1,CHEMBL545077,7.5
+CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106219,7.01
+C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL420662,7.82
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL320465,8.7
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL318995,8.52
+CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104210,7.96
+C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104332,7.14
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21,CHEMBL104574,7.14
+CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105148,8.4
+CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106218,8.52
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3,CHEMBL106224,8.7
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL59898,8.17
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3,CHEMBL105593,5.71
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21,CHEMBL104804,5.87
+COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105945,6.72
+CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105160,7.85
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL326450,9.0
+CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107679,6.96
+CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106259,5.01
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3,CHEMBL280220,8.7
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3,CHEMBL105674,6.44
+CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107444,7.82
+C=C1N=C(c2c(C)[nH]c3ccc4c(c23)CN2CCc3cc(OC)ccc3C2O4)ON1,CHEMBL104803,7.21
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3,CHEMBL105122,8.15
+CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106505,7.17
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL104693,9.0
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.6
+C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL292857,8.345
+C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2,CHEMBL306182,7.95
+C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1,CHEMBL76897,9.24
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL376897,9.85
+Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1,CHEMBL40391,6.23
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL56275,6.0
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL58824,6.1
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL57485,6.21
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL291562,5.76
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL55698,6.05
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL294663,6.05
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL430587,5.71
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL301670,6.76
+C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1,CHEMBL380759,5.04
+C#CCOC(=O)C1=CCCN(C)C1,CHEMBL128365,6.01
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2093084,4.33
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205654,8.0
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.43
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL214642,6.32
+O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212645,7.32
+CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212141,6.74
+O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214898,7.96
+O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215189,7.51
+O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL378772,7.7
+CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL213709,7.04
+CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL214342,7.39
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL438822,7.41
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214029,7.54
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215180,7.38
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL215894,6.92
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378859,7.62
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378872,7.28
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL378885,6.54
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL211976,6.82
+COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,CHEMBL219118,6.8
+COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1,CHEMBL376295,6.8
+COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1,CHEMBL216928,7.6
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1,CHEMBL216983,6.1
+COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL386983,7.9
+COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL218755,7.1
+COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL373888,7.2
+CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL373515,8.48
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL222259,9.15
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376057,9.06
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL220393,8.74
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219786,9.06
+C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375851,8.46
+C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375969,9.33
+CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219825,8.9
+CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376255,8.92
+CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376870,9.0
+CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL385328,8.63
+CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375073,8.7
+C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL45454,8.21
+C[C@@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227378,4.16
+C[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL390842,4.958
+COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1,CHEMBL242345,7.39
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1,CHEMBL396845,5.64
+C[N+]1(CC#CCOC2=NOCC2)CCCCC1,CHEMBL239436,5.77
+C(#CCN1CCCCC1)COC1=NOCC1,CHEMBL239866,5.22
+O=C1CCON1CC#CCN1CCCCC1,CHEMBL398043,6.1
+C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1,CHEMBL239038,5.22
+Cc1cc(OCC#CC[N+]2(C)CCCC2)no1,CHEMBL238825,5.23
+Cc1cc(OCC#CC[N+](C)(C)C)no1,CHEMBL239655,6.17
+O=C1CCON1CC#CCN1CCCC1,CHEMBL275104,6.65
+COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1,CHEMBL240888,4.38
+CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1,CHEMBL392888,4.72
+CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21,CHEMBL240025,5.35
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2,CHEMBL240024,6.52
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2,CHEMBL392887,6.52
+CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL429644,5.35
+CCCCSC1=CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL241283,4.96
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2,CHEMBL241282,6.15
+CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241103,5.8
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2,CHEMBL241102,6.7
+OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL442093,5.55
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2,CHEMBL391192,6.52
+COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL241101,5.7
+CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL240023,4.92
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2,CHEMBL392970,6.7
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2,CHEMBL240022,6.7
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2,CHEMBL240021,4.3
+CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241281,5.85
+CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1,CHEMBL391191,4.17
+CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21,CHEMBL241279,4.02
+CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21,CHEMBL241100,4.03
+COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2,CHEMBL391190,4.92
+c1ccc2c3c([nH]c2c1)C(Cc1ccc2c(c1)OCO2)NCC3,CHEMBL328476,4.62
+COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL393275,4.74
+COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1,CHEMBL319005,4.46
+COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C,CHEMBL241099,4.15
+COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL241082,4.11
+COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4,CHEMBL441356,5.7
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,5.07
+C[C@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227429,4.34
+Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,CHEMBL1382,8.51
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C,CHEMBL271108,8.2
+CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257643,6.92
+CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257431,6.99
+C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL257804,5.57
+CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL257174,5.93
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL402207,7.9
+OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1,CHEMBL403773,7.13
+C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL403592,4.95
+CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL256923,6.21
+C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL257586,4.95
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL402282,5.91
+OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL404866,4.65
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1,CHEMBL257547,4.64
+OC(CCCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL403029,4.0
+C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL436850,5.32
+CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL258161,5.01
+OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1,CHEMBL258385,5.93
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL254586,6.54
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21,CHEMBL478227,5.61
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21,CHEMBL478226,5.18
+CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021479,7.8
+CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C,CHEMBL2021478,7.91
+CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021477,7.73
+CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021476,7.89
+c1coc(C2CCCN2)c1,CHEMBL461087,4.06
+Cc1ccc(C[N+](C)(C)C)o1,CHEMBL92387,5.2
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL40554,5.04
+Cc1ccc([C@@H]2CCC[N+]2(C)C)o1,CHEMBL551563,5.29
+Cc1ccc([C@H]2CCC[N+]2(C)C)o1,CHEMBL553434,4.86
+Cc1ccc(C2CCC[N+]2(C)C)o1,CHEMBL555475,5.36
+C[N+]1(C)CCC[C@H]1c1ccco1,CHEMBL553155,4.67
+C[N+]1(C)CCC[C@@H]1c1ccco1,CHEMBL527880,4.55
+C[N+]1(C)CCCC1c1ccco1,CHEMBL554532,5.19
+Cc1ccc([C@@H]2CCCN2C)o1,CHEMBL450463,4.32
+Cc1ccc([C@H]2CCCN2C)o1,CHEMBL461709,4.23
+Cc1ccc(C2CCCN2C)o1,CHEMBL513277,4.61
+CN1CCC[C@H]1c1ccco1,CHEMBL450729,4.25
+CN1CCC[C@@H]1c1ccco1,CHEMBL461502,4.1
+CN1CCCC1c1ccco1,CHEMBL460470,4.16
+Cc1ccc([C@H]2CCCN2)o1,CHEMBL461089,4.53
+Cc1ccc(C2CCCN2)o1,CHEMBL505086,4.29
+c1coc([C@H]2CCCN2)c1,CHEMBL461088,4.05
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL499519,6.85
+CN1CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL523518,6.395
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL554916,6.415
+C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL539373,6.83
+CN1CCC[C@H]1[C@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL524061,6.06
+CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL496915,6.81
+CN1CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL493795,6.19
+C[N+](C)(C)C[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL557808,7.02
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1,CHEMBL552338,5.37
+CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL576663,6.98
+CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL583051,7.85
+CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571121,8.4
+CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571341,7.26
+CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569212,6.26
+CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569953,5.51
+CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL571123,6.8
+CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL576707,7.11
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL569729,7.19
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569760,7.81
+C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569307,8.37
+C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568870,7.48
+C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568775,6.43
+C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569089,5.63
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL583027,7.42
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL569712,7.71
+C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL594803,4.24
+C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593685,4.59
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C,CHEMBL595265,4.51
+C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL595022,4.06
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593620,4.52
+CC1(C)COC[C@@H](C[N+](C)(C)C)O1,CHEMBL594801,4.35
+CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593861,4.27
+C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594376,4.03
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,5.52
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.6
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,CHEMBL845,6.54
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.89
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.12
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.59
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,6.15
+c1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824784,5.75
+Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824785,5.87
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.44
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,9.48
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.59
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,5.78
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.62
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.3
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,9.13
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.94
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.85
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.53
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,CHEMBL1319362,7.85
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.1
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,6.32
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.27
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.56
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,7.82
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,8.56
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,7.28
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.65
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,8.23
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,9.39
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.92
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.79
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.33
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.64
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.29
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.89
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.66
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,7.77
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.34
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,6.66
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,7.47
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.38
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,8.98
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,6.3
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.89
+CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL1909073,8.07
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.72
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.56
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.85
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,7.24
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21,CHEMBL1201024,10.01
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.54
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,6.35
+CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,CHEMBL481,6.66
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.72
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,7.05
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,CHEMBL1490,9.12
+CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,CHEMBL2107687,8.44
+CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,CHEMBL1200604,8.46
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.96
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,6.26
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.17
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.44
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.2
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.72
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,CHEMBL1910856,9.94
+CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL1464005,9.42
+CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3,CHEMBL2010872,5.54
+C1CCC(CN2C3CCC2CC3)CC1,CHEMBL2030625,5.21
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,5.96
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,6.45
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.38
+CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042554,7.15
+CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042553,8.63
+CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042552,8.31
+C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042551,4.77
+C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042407,4.95
+C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042406,6.82
+C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042405,8.83
+C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042404,8.58
+C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL2042403,4.53
+C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL2042402,4.91
+CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042400,4.6
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,5.95
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,5.53
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.63
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,6.33
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.09
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.89
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.91
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,6.18
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.29
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,5.85
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,6.01
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.16
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,5.54
+CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312352,5.24
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312361,5.72
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312376,4.98
+CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1,CHEMBL2312389,4.94
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1,CHEMBL1180343,5.76
+CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12,CHEMBL1187846,7.43
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N,CHEMBL12098,7.21
+CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL17045,6.39
+Clc1cc(Cl)cc(N2CCNCC2)c1,CHEMBL2335158,4.5
+OC(CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2,CHEMBL3085495,7.49
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1,CHEMBL37372,6.25
+CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1,CHEMBL2377269,8.02
+CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1,CHEMBL2377268,6.55
+CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1,CHEMBL2377267,8.83
+CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2106570,7.88
+CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1,CHEMBL2377392,7.05
+CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2377387,8.14
+CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377385,5.77
+C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377384,6.17
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.27
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,7.68
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,5.9
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.45
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,6.15
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.19
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.89
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,6.05
+COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432061,5.23
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432060,5.41
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,5.42
+COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432056,5.17
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,6.21
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432052,5.55
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,5.45
+CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432043,5.16
+COc1ccc(CN(C)[C@H]2C3C4CC5C3C(=O)C3C5C4C32)cc1OC,CHEMBL2432042,5.13
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,5.39
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,5.9
+CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,CHEMBL3354065,6.68
+CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354066,7.58
+CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354067,8.1
+CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354068,9.05
+CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354069,8.97
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354070,8.18
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354071,7.84
+O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1,CHEMBL3354072,6.23
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,CHEMBL3354073,6.35
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,CHEMBL3354074,6.41
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1,CHEMBL3354075,6.81
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1,CHEMBL3354076,6.95
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1,CHEMBL3354077,7.02
+CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143469,9.11
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL3354078,7.49
+C[N+](C)(C)C[C@@H]1COCCO1,CHEMBL3309718,4.68
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,CHEMBL387632,5.05
+CC1OC2(CS1)CN1CCC2CC1,CHEMBL168815,5.99
+CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O,CHEMBL3577945,6.06
+O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1,CHEMBL3629360,9.46
+COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,CHEMBL3770346,6.405
+CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,CHEMBL3770870,6.705
+CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,CHEMBL3769740,5.57
+COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br,CHEMBL3770667,6.28
+COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1I,CHEMBL3770686,5.775
+CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N,CHEMBL3770968,5.37
+CCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N,CHEMBL3770360,5.495
diff --git a/chembl_200/CHEMBL1833.csv b/chembl_200/CHEMBL1833.csv
new file mode 100644
index 0000000000000000000000000000000000000000..30a7b290bc4f600cdace334e4b698c6c4808db5d
--- /dev/null
+++ b/chembl_200/CHEMBL1833.csv
@@ -0,0 +1,1050 @@
+COc1cc(CCN)c2c(c1OC)OCC2,CHEMBL102347,6.395
+COc1c2c(c(CCN)c3c1OCC3)CCO2,CHEMBL316527,6.605
+CCOc1c(OC)cc(CCN)cc1OC,CHEMBL319415,6.26
+COc1cc(CCN)cc(OC)c1OC,CHEMBL26687,6.1
+CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL101008,8.847000000000001
+COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2,CHEMBL445106,6.585
+COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2,CHEMBL307770,4.95
+C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL305275,8.87
+CC(N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL149024,9.72
+COc1ccc2[nH]cc(C(C)CN)c2c1,CHEMBL149564,8.08
+N[C@H]1C[C@@H]1c1c[nH]c2ccccc12,CHEMBL357702,7.03
+NC1CC1c1c[nH]c2ccccc12,CHEMBL358810,7.23
+CC(CN)c1c[nH]c2ccccc12,CHEMBL148463,7.06
+NC1CC1c1c[nH]c2ccc(F)cc12,CHEMBL147656,8.24
+COc1ccc2[nH]cc(C3CC3N)c2c1,CHEMBL147434,7.42
+N[C@@H]1C[C@H]1c1c[nH]c2ccccc12,CHEMBL358522,7.23
+COc1cccc2[nH]cc(C3CC3N)c12,CHEMBL148091,7.19
+C[C@H](N)CN1CCc2ccc(Cl)cc21,CHEMBL76307,7.27
+CSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL451543,7.05
+CCSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL80862,6.72
+C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21,CHEMBL80246,7.06
+CCSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL80731,7.21
+C[C@H](N)CN1CCc2ccc(Br)cc21,CHEMBL309760,7.34
+C[C@H](N)CN1CCc2cc(F)c(I)cc21,CHEMBL76301,7.42
+C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21,CHEMBL76781,8.29
+NCCc1c[nH]c2ccc(O)cc12,CHEMBL39,7.898
+C[C@H](N)CN1CCc2cc(F)c(Cl)cc21,CHEMBL80366,7.51
+CSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL76474,7.68
+C[C@H](N)CN1CCc2ccc3c(c21)CCO3,CHEMBL77880,7.31
+C[C@H](N)CN1CCc2ccc3c(c21)CCCO3,CHEMBL80482,6.45
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,7.555
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,6.17
+CN(C)CCc1c[nH]c2sccc12,CHEMBL13086,6.32
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,7.0
+CN(C)CCc1c[nH]c2ccsc12,CHEMBL13147,6.67
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.11
+C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL135076,7.72
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,8.28
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,7.89
+NCCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL27173,7.85
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,7.89
+CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3,CHEMBL131736,7.96
+COc1cc(C[C@@H](C)N)c(OC)cc1I,CHEMBL134519,7.74
+CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL412876,7.59
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,5.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,5.7
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,5.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL14255,8.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14374,7.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2,CHEMBL14726,7.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2,CHEMBL14606,8.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2,CHEMBL274066,7.9
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2,CHEMBL280322,5.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2,CHEMBL280465,8.1
+CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1,CHEMBL416896,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2,CHEMBL274692,7.9
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,7.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2,CHEMBL14469,7.6
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14460,7.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2,CHEMBL14458,8.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2,CHEMBL278267,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2,CHEMBL280297,7.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2,CHEMBL14111,8.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2,CHEMBL14276,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2,CHEMBL14076,7.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2,CHEMBL446942,7.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2,CHEMBL14368,7.7
+COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1,CHEMBL276571,7.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2,CHEMBL417082,8.1
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL276140,7.9
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,5.9
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.0
+CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL114012,5.4
+CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL289436,8.0
+CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL297445,6.8
+CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41792,7.8
+CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL44015,7.5
+CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41389,8.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2,CHEMBL299506,6.6
+CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL52919,6.9
+Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1,CHEMBL292228,6.9
+Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL59584,7.2
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2,CHEMBL294030,7.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL58765,6.9
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1,CHEMBL55958,5.3
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1,CHEMBL56050,6.3
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1,CHEMBL55079,7.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1,CHEMBL299726,6.1
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1,CHEMBL55292,7.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1,CHEMBL298696,5.6
+Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1,CHEMBL54775,6.6
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1,CHEMBL301784,6.5
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2,CHEMBL53793,6.7
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2,CHEMBL299938,7.9
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2,CHEMBL55964,7.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2,CHEMBL53308,7.1
+Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL56336,6.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1,CHEMBL56232,5.7
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2,CHEMBL55331,7.5
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2,CHEMBL53113,7.2
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL56508,7.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1,CHEMBL54610,6.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1,CHEMBL54769,6.2
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL301012,7.7
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1,CHEMBL433060,6.5
+CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55792,7.3
+CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55472,7.0
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1,CHEMBL291510,6.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1,CHEMBL59097,5.7
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1,CHEMBL299530,6.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1,CHEMBL53152,7.0
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL54560,7.4
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2,CHEMBL55207,7.9
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL52308,6.8
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2,CHEMBL55969,8.2
+Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1,CHEMBL53939,7.6
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21,CHEMBL293597,6.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2,CHEMBL54719,7.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2,CHEMBL55914,8.1
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2,CHEMBL55344,6.7
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2,CHEMBL55784,7.7
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2,CHEMBL52592,7.7
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2,CHEMBL291949,8.1
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21,CHEMBL300618,6.4
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21,CHEMBL52783,6.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2,CHEMBL55597,7.9
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2,CHEMBL293937,7.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2,CHEMBL54707,8.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2,CHEMBL55335,7.6
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21,CHEMBL55388,6.3
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21,CHEMBL56405,6.6
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2,CHEMBL54484,7.8
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2,CHEMBL53063,7.6
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2,CHEMBL301409,7.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2,CHEMBL432879,7.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2,CHEMBL14401,7.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2,CHEMBL14863,8.0
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2,CHEMBL14841,7.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2,CHEMBL14652,7.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2,CHEMBL277111,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2,CHEMBL277732,6.3
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL428879,8.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2,CHEMBL14345,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2,CHEMBL14864,8.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2,CHEMBL278685,7.0
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL157910,5.7
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1,CHEMBL88193,6.7
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,8.7
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1,CHEMBL90175,6.4
+COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL93862,8.0
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,CHEMBL92809,6.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1,CHEMBL328375,6.9
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1,CHEMBL89967,6.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL88402,6.5
+COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL432217,7.0
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl,CHEMBL313745,6.4
+COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1,CHEMBL310656,6.9
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL91454,5.9
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1,CHEMBL88571,6.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL88894,7.1
+COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90346,7.3
+COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90470,6.7
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,5.9
+COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1,CHEMBL90467,5.9
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1,CHEMBL88809,6.6
+COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL91221,8.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL90565,6.4
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL90267,5.5
+Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C,CHEMBL300835,8.4
+COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl,CHEMBL56557,7.8
+CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL54062,7.5
+Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1,CHEMBL59266,6.2
+CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL57135,7.3
+CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL417753,7.1
+CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21,CHEMBL301209,7.9
+Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21,CHEMBL299498,8.6
+Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1,CHEMBL291536,5.4
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.2
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.0
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,7.04
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,5.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,5.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,5.7
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1,CHEMBL71707,6.3
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.6
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.36
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,6.51
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,7.57
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,7.52
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12,CHEMBL361929,6.6
+Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190584,7.23
+Clc1ccc2c(c1)N1CCNCC1C2,CHEMBL188605,7.28
+Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2,CHEMBL188033,7.89
+Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2,CHEMBL364534,7.17
+C[C@H]1CNC[C@@H]2Cc3ccccc3N12,CHEMBL2096711,5.59
+Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190699,8.49
+C[C@@H]1CNC[C@H]2Cc3ccccc3N12,CHEMBL2112055,7.82
+Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2,CHEMBL191054,7.56
+Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2,CHEMBL187739,8.0
+C[C@@H]1CNC[C@@H]2Cc3ccccc3N21,CHEMBL2096809,6.74
+Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2,CHEMBL425545,6.85
+Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL190124,7.68
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12,CHEMBL361079,7.96
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12,CHEMBL187888,7.05
+CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL187787,6.02
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,5.9
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.7
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.0
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,5.9
+CN(C)CCc1cn(C)c2cccc(O)c12,CHEMBL197664,7.42
+CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12,CHEMBL198123,5.26
+CCCCn1cc(CCN(C)C)c2c(O)cccc21,CHEMBL198124,8.24
+CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21,CHEMBL371753,6.77
+CN(C)CCc1c[nH]c2cc(O)ccc12,CHEMBL382750,5.2
+CN(C)CCc1c[nH]c2cccc(F)c12,CHEMBL197646,8.08
+CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1,CHEMBL371899,6.94
+Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12,CHEMBL445331,5.25
+Oc1cccc2[nH]cc(CCN3CCCC3)c12,CHEMBL364061,6.37
+CN(C)Cc1c[nH]c2cccc(O)c12,CHEMBL194588,5.91
+CN(C)Cc1cn(C)c2cccc(O)c12,CHEMBL370221,5.91
+CN(C)CCCc1c[nH]c2cccc(O)c12,CHEMBL198617,7.01
+CC(Cc1c[nH]c2cccc(O)c12)N(C)C,CHEMBL194202,6.13
+COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2,CHEMBL197630,6.9
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198171,7.1
+COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1,CHEMBL198097,5.9
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL197807,6.5
+COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1,CHEMBL383800,5.9
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198330,6.3
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL199177,6.1
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C,CHEMBL197170,5.8
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO,CHEMBL198192,5.9
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL198007,6.5
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL198109,6.9
+O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL371211,6.8
+COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1,CHEMBL198712,5.7
+NCCn1ncc2ccc(O)cc21,CHEMBL199385,7.82
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,8.09
+C[C@@H](N)Cn1ncc2ccc(O)cc21,CHEMBL437314,7.46
+COc1ccc2cnn(C[C@H](C)N)c2c1,CHEMBL199775,8.12
+Cc1c(O)ccc2cnn(C[C@H](C)N)c12,CHEMBL200104,8.06
+C[C@H](N)Cn1ncc2ccc(O)c(F)c21,CHEMBL197653,8.77
+C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21,CHEMBL373245,8.42
+C[C@H](N)Cn1ncc2ccc(O)c(I)c21,CHEMBL201132,8.22
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.28
+Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL379223,6.13
+COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL383042,6.05
+C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL202324,6.34
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1,CHEMBL201117,6.2
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1,CHEMBL380763,6.29
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl,CHEMBL202538,6.42
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2,CHEMBL202458,6.86
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1,CHEMBL202616,6.87
+C[C@H](N)Cn1ccc2ccc3cnccc3c21,CHEMBL202656,6.11
+C[C@H](N)Cn1ccc2ccc3ccncc3c21,CHEMBL201897,6.68
+C[C@H](N)Cn1ccc2ccc3cccnc3c21,CHEMBL201062,6.94
+C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21,CHEMBL201454,7.74
+C[C@H](N)Cn1ccc2ccc3ncccc3c21,CHEMBL201930,7.92
+Clc1ccc2c(n1)N1CCNCC1C2,CHEMBL203025,6.66
+C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21,CHEMBL383694,6.78
+C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12,CHEMBL203393,7.09
+C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21,CHEMBL203396,6.66
+C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12,CHEMBL203230,7.32
+CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206618,5.88
+CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206394,6.53
+C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL382618,6.08
+C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12,CHEMBL203013,6.76
+COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL383051,6.42
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12,CHEMBL206386,5.94
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12,CHEMBL206333,7.17
+Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206845,7.11
+COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL205671,6.36
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12,CHEMBL202795,5.74
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,7.47
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL209324,7.28
+COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213839,6.3
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL213272,6.0
+COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL210053,6.7
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL212886,6.3
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL215864,5.9
+COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL386332,5.8
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212270,6.2
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL376962,6.5
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL385921,5.8
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL439504,5.7
+O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1,CHEMBL213368,5.8
+COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL214398,6.0
+COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl,CHEMBL211719,5.8
+COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL427398,6.4
+COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL210007,6.9
+COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL438963,6.3
+COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL426684,6.3
+COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212482,6.7
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213987,6.2
+O=C1c2ccccc2C2CNCCN12,CHEMBL376455,5.34
+O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12,CHEMBL223584,5.46
+O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL222514,7.13
+CC(C)Oc1cccc2c1C(=O)N1CCNCC21,CHEMBL223628,5.8
+O=C1c2c(O)cccc2C2CNCCN12,CHEMBL387344,5.43
+CSc1cccc2c1C(=O)N1CCNCC21,CHEMBL220207,7.08
+N#Cc1cccc2c1C(=O)N1CCNCC21,CHEMBL223090,5.41
+O=C1c2c(Cl)cccc2C2CNCCN12,CHEMBL223896,6.51
+O=C1c2c(F)cccc2C2CNCCN12,CHEMBL223469,5.43
+O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12,CHEMBL219734,6.26
+COc1cccc2c1C(=O)N1CCNCC21,CHEMBL376456,6.72
+O=C1c2c(cccc2C(F)(F)F)C2CNCCN12,CHEMBL220274,6.6
+CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL375302,6.63
+C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL219837,7.62
+CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL2113264,8.15
+C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL223272,7.54
+C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL376676,6.94
+C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL223271,5.63
+C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL373402,5.52
+CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL220789,5.5
+CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1,CHEMBL375642,5.8
+CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL223440,6.61
+COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL220157,6.05
+CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21,CHEMBL374436,7.12
+COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O,CHEMBL222466,6.33
+CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21,CHEMBL223468,7.74
+COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21,CHEMBL385577,7.07
+O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12,CHEMBL220900,7.15
+O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12,CHEMBL375575,5.39
+COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL373531,5.85
+CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223466,6.26
+Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223292,6.14
+CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1,CHEMBL220833,7.54
+O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL375170,6.68
+C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220115,5.68
+C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL222566,6.19
+CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373695,6.72
+CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373483,6.66
+CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373905,6.42
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL221113,6.82
+Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374562,6.47
+CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374660,5.89
+COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220211,5.96
+O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL374659,6.33
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1,CHEMBL395072,6.7
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL234494,6.6
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C,CHEMBL397709,6.9
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1,CHEMBL234492,6.9
+COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396527,6.5
+COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234739,6.6
+COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395298,7.2
+COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234738,7.0
+COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234533,7.0
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234532,6.7
+COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395297,6.7
+COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234531,6.9
+COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1,CHEMBL395059,6.7
+COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396748,6.3
+COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234006,6.7
+COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234109,6.8
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396747,6.9
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1,CHEMBL396505,6.5
+COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL234947,6.7
+COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232254,7.2
+COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232047,6.6
+COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395098,7.5
+COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232046,7.4
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232045,6.7
+COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O,CHEMBL231833,6.1
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL397259,6.8
+COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL535626,6.7
+COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL388882,6.7
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,8.8
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,8.8
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,7.76
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,8.32
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,9.0
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,7.9
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,6.735
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,CHEMBL243712,6.5
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.26
+NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12,CHEMBL392760,6.34
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,5.8
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,5.5
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,6.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,5.8
+Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2,CHEMBL403902,6.57
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1,CHEMBL256811,5.0
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1,CHEMBL403764,6.51
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1,CHEMBL404581,5.89
+Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1,CHEMBL404582,6.0
+CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL257944,6.4
+Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1,CHEMBL271111,5.05
+Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1,CHEMBL271318,6.68
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1,CHEMBL271317,5.66
+CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408154,5.65
+CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408155,7.15
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1,CHEMBL271212,6.66
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1,CHEMBL271419,5.6
+FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL271418,7.66
+Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL269974,8.6
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL270188,7.52
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1,CHEMBL402164,7.4
+N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL255802,7.7
+COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL401509,8.32
+Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL272082,9.0
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL402357,7.52
+CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2,CHEMBL255543,7.7
+CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2,CHEMBL273173,7.15
+CCc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL407909,8.6
+c1cc2c3c(ccc2o1)CCNCC3,CHEMBL261489,7.05
+c1cc2ccc3c(c2o1)CCNCC3,CHEMBL261490,7.47
+CNc1ccc2c(c1Cl)CCNCC2,CHEMBL405717,6.68
+COc1ccc2c(c1Cl)CCNCC2,CHEMBL406957,7.08
+Clc1c(Br)ccc2c1CCNCC2,CHEMBL259480,7.6
+Clc1ccc2c(c1Cl)CCNCC2,CHEMBL262862,7.0
+Fc1ccc2c(c1Cl)CCNCC2,CHEMBL429689,6.39
+N#Cc1ccc2c(c1Cl)CCNCC2,CHEMBL406585,7.19
+O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2,CHEMBL405829,6.52
+CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1,CHEMBL407636,6.0
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,6.85
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.31
+NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12,CHEMBL484345,6.81
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL482562,6.89
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1,CHEMBL520129,6.76
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.81
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,7.52
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,7.01
+COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1,CHEMBL474473,5.77
+COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1,CHEMBL475965,6.04
+Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL477008,7.19
+O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3,CHEMBL515624,6.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,6.5
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,5.7
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,6.64
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.52
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.49
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.02
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL476838,5.73
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,6.33
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.25
+COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL490633,5.56
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL490634,5.98
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,5.71
+NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl,CHEMBL451232,7.8
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,7.8
+NCC1CC1c1ccccc1Br,CHEMBL492916,7.66
+Cc1cccc([C@H]2C[C@@H]2CN)c1,CHEMBL445747,7.07
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,7.05
+O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL566379,6.305
+O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL569513,6.17
+O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL566396,6.96
+O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1,CHEMBL566356,6.78
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.27
+Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21,CHEMBL594717,8.11
+Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1,CHEMBL594469,6.82
+C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2,CHEMBL595645,7.08
+Cc1cccc2c1C(=O)NC1CCNCCN21,CHEMBL590580,8.0
+O=C1NC2CCNCCN2c2cccc(Cl)c21,CHEMBL590483,7.64
+Cc1ccc2c(c1)N1CCNCCC1NC2=O,CHEMBL590531,7.34
+O=C1NC2CNCCCN2c2cccc(Cl)c21,CHEMBL590721,6.13
+O=C1NC2CCNCCN2c2ccccc21,CHEMBL590816,7.17
+O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21,CHEMBL590333,7.89
+O=C1NC2CNCCN2c2ccc(Cl)cc21,CHEMBL590482,7.14
+O=C1NC2CNCCN2c2cccc(Cl)c21,CHEMBL605402,7.74
+Cc1cccc2c1N1CCNCC1NC2=O,CHEMBL590332,5.62
+Cc1ccc2c(c1)N1CCNCC1NC2=O,CHEMBL590331,6.55
+Cc1ccc2c(c1)C(=O)NC1CNCCN21,CHEMBL590089,7.21
+O=C1NC2CNCCN2c2ccccc21,CHEMBL590077,6.86
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL597002,7.0
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1,CHEMBL603483,5.87
+Cc1ccc(S(=O)(=O)c2[nH]nc3ccc(N4CCC(N)CC4)cc23)c2ccccc12,CHEMBL599663,6.31
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1,CHEMBL598850,7.11
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1,CHEMBL598851,6.35
+N[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598229,7.68
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,6.56
+NC1CN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598443,7.01
+CN(C)[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598444,6.37
+CN(C)[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL597009,6.23
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21,CHEMBL599263,6.73
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21,CHEMBL599466,6.72
+Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12,CHEMBL605971,6.34
+CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12,CHEMBL591940,6.59
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC,CHEMBL236587,7.39
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl,CHEMBL236610,7.13
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1,CHEMBL1078745,7.03
+O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1,CHEMBL1090397,5.46
+O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1,CHEMBL1092029,5.39
+O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1,CHEMBL1090757,5.62
+O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1,CHEMBL1091104,5.76
+COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1,CHEMBL1091105,5.4
+CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1,CHEMBL1091106,5.78
+CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1082761,6.77
+CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1083654,6.33
+CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1082763,6.82
+CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1083075,6.73
+COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1,CHEMBL1209157,6.74
+c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214829,6.3
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214830,7.82
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214831,6.58
+FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214891,7.02
+CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214892,6.18
+FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214893,6.63
+COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214894,7.55
+CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214895,6.52
+FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214958,6.61
+CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214959,6.59
+FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214960,6.73
+COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214961,8.01
+CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214962,7.14
+FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215036,7.24
+CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215037,6.94
+FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215038,6.74
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,6.5
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222554,5.8
+CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O,CHEMBL1222624,6.2
+O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1,CHEMBL1222692,7.5
+Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222693,7.8
+Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2,CHEMBL1222694,7.2
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O,CHEMBL1222695,7.0
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O,CHEMBL1222762,7.6
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O,CHEMBL1222763,6.5
+COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222764,6.8
+O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224031,6.65
+CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224032,6.24
+CCCNC(=O)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224033,6.42
+O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224034,7.38
+CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224035,6.31
+O=C(Nc1ccccc1)N1OCC2COc3ccccc3C21,CHEMBL1224036,5.79
+CCCNC(=O)N1OCC2COc3ccccc3C21,CHEMBL1224102,5.18
+O=C(NC1CCCCC1)N1OCC2COc3ccccc3C21,CHEMBL1224103,5.75
+Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C21,CHEMBL1224106,5.4
+CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258723,5.08
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,7.18
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.54
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,6.77
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,9.55
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1,CHEMBL1277917,6.01
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL1277104,6.22
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12,CHEMBL1277105,6.63
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,7.06
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277837,7.02
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1275630,6.55
+O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12,CHEMBL1278001,6.85
+O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277312,6.1
+O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277216,5.8
+O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277035,6.6
+O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277034,7.4
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276948,7.1
+O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,CHEMBL1276947,6.4
+O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276859,6.0
+CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278202,8.0
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278201,7.0
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1,CHEMBL1278113,5.9
+O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277584,5.9
+O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277585,6.0
+O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277679,6.6
+CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277769,8.5
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277770,6.8
+COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278020,5.9
+CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278116,7.8
+COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,CHEMBL74355,5.9
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,7.52
+COc1cc2c(CCNC(C)=O)c[nH]c2cc1F,CHEMBL333886,5.6
+COc1ccc2[nH]c3c(c2c1)CCNC3C,CHEMBL221811,6.31
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,7.48
+CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL254832,5.49
+O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL46516,6.82
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,9.06
+COc1ccc2[nH]cc(CN)c2c1,CHEMBL1276050,5.79
+Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL81330,7.16
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,7.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,6.9
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,6.8
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,6.7
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,5.9
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,6.5
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642851,6.17
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,6.81
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,5.75
+O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642889,6.17
+NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642865,6.46
+O=C(Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL1642866,7.48
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643902,5.22
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.16
+OC[C@@H]1CSC(c2ccccc2O)=N1,CHEMBL1651090,5.87
+NC(=O)c1csc(-c2ccccc2O)n1,CHEMBL1651091,5.99
+NC(=O)C1CSC(c2ccccc2O)=N1,CHEMBL1651092,5.9
+C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C,CHEMBL1651093,5.41
+C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C,CHEMBL1651094,5.33
+C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO,CHEMBL1651095,6.3
+Cc1sc(-c2ccccc2O)nc1C=O,CHEMBL1651096,5.81
+CC(=O)c1ccc2c(c1)Nc1ccccc1S2,CHEMBL407734,6.52
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,6.25
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668584,5.98
+Nc1nccc(-c2c[nH]c3cccc(O)c23)n1,CHEMBL50498,6.82
+COc1cccc2[nH]cc(-c3ccnc(N)n3)c12,CHEMBL1829959,7.06
+CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,CHEMBL1836317,6.61
+c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834251,6.51
+COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834252,6.92
+COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834253,6.54
+COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834254,6.33
+c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834255,6.83
+COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834256,6.2
+COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834257,6.61
+COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1833977,6.81
+c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834258,6.56
+COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834259,6.48
+COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834260,6.46
+COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834261,6.45
+CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,CHEMBL388590,5.94
+COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CHEMBL12089,5.66
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,6.32
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,5.13
+CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CHEMBL65,6.21
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.36
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,8.28
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,7.29
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,6.9
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,8.13
+Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,CHEMBL357995,6.01
+CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CHEMBL502620,6.15
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,8.18
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,4.8
+Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O,CHEMBL1110,7.19
+O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1,CHEMBL1909048,6.02
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.23
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.09
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,7.35
+Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL1909050,5.93
+CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CHEMBL311469,5.7
+CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O,CHEMBL1629810,7.4
+O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1,CHEMBL1909051,6.01
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.7
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.36
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.44
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,7.21
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1405,5.06
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.16
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,5.87
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.16
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,8.58
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.6
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.66
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.07
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.88
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.82
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.44
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.15
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.25
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.64
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,6.17
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,7.15
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,6.63
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,6.08
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.62
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,5.93
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,8.38
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,4.66
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.13
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.36
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.55
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.7
+Cc1cc(O)cc(C)c1Cl,CHEMBL398440,5.93
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.33
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.06
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.82
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.22
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.78
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,5.67
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,5.71
+COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,CHEMBL9514,4.89
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.66
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,5.58
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.37
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,7.31
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,7.24
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,5.75
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.51
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,5.62
+CC(C)c1cccc(C(C)C)c1O,CHEMBL526,5.46
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.07
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.53
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,6.66
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,6.3
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.19
+Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,CHEMBL46,6.34
+Cc1cccc(C)c1OCC(C)N,CHEMBL558,6.14
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,CHEMBL547,6.27
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.67
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,6.4
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,8.33
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.45
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,8.49
+O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,CHEMBL98350,4.63
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.4
+c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,CHEMBL1333512,7.05
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.27
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,7.68
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,6.73
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,5.71
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.49
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,5.58
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,5.51
+CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL998,6.81
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,6.48
+Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,CHEMBL408,6.08
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,7.17
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.98
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,7.33
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,CHEMBL38,6.64
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,CHEMBL1630578,4.93
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.09
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.88
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.72
+CC(C)NC[C@@H](O)COc1cccc2ccccc12,CHEMBL275742,6.55
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,6.58
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,5.67
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.22
+Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,CHEMBL83668,5.89
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,7.52
+COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,CHEMBL537403,7.62
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,7.0
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,7.1
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.06
+CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1,CHEMBL1922537,5.1
+C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1,CHEMBL1922538,5.27
+CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1,CHEMBL1922539,5.28
+COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949930,5.21
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,5.5
+COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1,CHEMBL2158704,6.79
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,7.25
+Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165137,9.22
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165126,9.22
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,6.98
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,6.49
+Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170062,6.48
+CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1,CHEMBL2181171,6.2
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.47
+CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1,CHEMBL2181169,6.79
+CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1,CHEMBL2181170,6.87
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,7.01
+CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1,CHEMBL2181189,7.39
+CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1,CHEMBL2181187,7.53
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,CHEMBL2203551,5.29
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.65
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.53
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.07
+Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12,CHEMBL2205361,6.03
+COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1,CHEMBL2205360,6.69
+COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL2323581,9.27
+CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL2323580,9.01
+CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL2323579,9.0
+CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL14022,8.66
+C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL2323578,8.15
+C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1201087,8.85
+COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1,CHEMBL2337102,7.85
+c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2,CHEMBL2337103,7.82
+O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21,CHEMBL2337500,7.32
+CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337499,7.1
+CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21,CHEMBL2337492,7.62
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337106,7.06
+Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337503,6.72
+O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21,CHEMBL2337493,7.4
+O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337490,7.31
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21,CHEMBL2337488,6.85
+Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337494,7.64
+Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337105,6.27
+Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337496,6.32
+Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337104,6.75
+CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337504,6.73
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O,CHEMBL2337502,5.77
+CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337498,6.11
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337497,6.04
+O=C1N[C@H]2CNC[C@@H]2c2ccccc21,CHEMBL2337495,5.24
+O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337491,5.2
+O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337489,5.62
+Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337501,8.4
+CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1,CHEMBL2334981,5.5
+CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2,CHEMBL2338343,5.28
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,6.74
+COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397878,6.94
+O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12,CHEMBL2397877,7.27
+CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397897,7.33
+Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397896,7.49
+COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397913,6.66
+CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397911,7.4
+C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12,CHEMBL2397888,6.4
+C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397887,7.41
+O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3,CHEMBL2397914,7.68
+COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397912,7.77
+Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397910,7.68
+CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397909,6.89
+CCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397908,7.2
+COc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397907,7.11
+CCc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397905,6.03
+Cc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397904,6.93
+N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397903,5.24
+COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397902,6.71
+O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12,CHEMBL2397901,6.9
+O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12,CHEMBL2397900,6.11
+CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397899,6.47
+CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397898,6.64
+Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397880,6.98
+O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12,CHEMBL2397915,6.47
+N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397895,6.29
+COc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397894,6.86
+O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12,CHEMBL2397893,8.1
+O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12,CHEMBL2397892,7.33
+O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12,CHEMBL2397891,8.22
+CCc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397890,8.7
+Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397889,7.89
+C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397886,5.79
+C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1,CHEMBL2397885,6.17
+C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1,CHEMBL2396668,5.87
+CN1CCN2C(=O)c3ccccc3C[C@@H]2C1,CHEMBL2397884,6.31
+O=C1c2ccccc2C[C@@H]2CNCCN12,CHEMBL2397881,6.67
+O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12,CHEMBL2397906,5.26
+C[C@@]12CNCCN1C(=O)c1ccccc1C2,CHEMBL2397883,5.46
+O=C1c2ccccc2C[C@H]2CNCCN12,CHEMBL2397882,5.24
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.0
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.2
+O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL241115,5.7
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,6.77
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,CHEMBL74656,7.4
+Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1,CHEMBL1334465,6.49
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.13
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,6.52
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,6.3
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.71
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,5.57
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.25
+CNC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C,CHEMBL2442265,5.3
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL512332,5.34
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O,CHEMBL404232,5.35
+O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12,CHEMBL2058696,5.57
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O,CHEMBL463249,5.57
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C,CHEMBL2058428,5.61
+O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL2058695,5.78
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058427,5.79
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12,CHEMBL2058409,5.85
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12,CHEMBL2058408,5.86
+CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1,CHEMBL2058699,5.87
+CN1C(=O)/C(=C\c2c[nH]c3ccccc23)N=C1N,CHEMBL513803,5.89
+CNC1=N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C,CHEMBL2442268,5.89
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O,CHEMBL1170237,5.9
+CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1,CHEMBL2058700,5.94
+CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1,CHEMBL2058701,6.0
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058429,6.02
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12,CHEMBL1173525,6.02
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,6.05
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058416,6.05
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL1173331,6.07
+CNC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C,CHEMBL2442269,6.08
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058407,6.11
+CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1,CHEMBL2058698,6.11
+CNC1=N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C,CHEMBL2442266,6.11
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL508657,6.15
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058418,6.18
+CN1C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N=C1N,CHEMBL2442277,6.23
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O,CHEMBL2058419,6.23
+CNC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C,CHEMBL2442267,6.28
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C,CHEMBL2058417,6.31
+NC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2442274,6.34
+NC1=N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2442271,6.35
+O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058694,6.43
+CNC1=N/C(=C\c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2058706,6.45
+CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O,CHEMBL2058420,6.46
+CNC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1,CHEMBL2058702,6.54
+NC1=N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1,CHEMBL2442273,6.57
+NC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1,CHEMBL2442270,6.63
+CN1C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N=C1N,CHEMBL2442275,6.64
+CN1C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N=C1N,CHEMBL511879,6.72
+CNC1=N/C(=C\c2c[nH]c3cc(Br)ccc23)C(=O)N1,CHEMBL2058705,6.81
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,7.0
+CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N=C1N,CHEMBL2442276,7.03
+CNC1=N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2058704,7.03
+NC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2442272,7.29
+CNC1=N/C(=C\c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2058703,7.3
+Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,CHEMBL2441619,6.39
+Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093187,6.72
+Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093186,6.64
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2,CHEMBL3092759,8.74
+NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL3092753,8.74
+NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2,CHEMBL3092763,7.28
+NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2,CHEMBL3092762,7.56
+NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O,CHEMBL3092761,7.06
+NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2,CHEMBL3092760,8.96
+NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2,CHEMBL3092758,9.4
+NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2,CHEMBL3092757,8.62
+NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2,CHEMBL3092756,8.44
+NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12,CHEMBL3092755,8.0
+NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12,CHEMBL3092754,8.68
+CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,CHEMBL294951,8.7
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,6.18
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.98
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,7.245
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.06
+O=c1cc(CCc2ccccc2)oc2cccc(O)c12,CHEMBL479683,5.61
+O=c1cc(CCc2cccs2)oc2cccc(O)c12,CHEMBL3126302,6.0
+O=c1cc(CCCc2ccccc2)oc2cccc(O)c12,CHEMBL3126299,6.6
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,8.3
+CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1,CHEMBL3260311,6.84
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,7.13
+Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1,CHEMBL3260335,6.28
+FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1,CHEMBL3260336,7.92
+C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1,CHEMBL3260337,5.12
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,7.33
+CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310123,8.37
+CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343663,7.39
+CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343664,7.51
+COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343665,8.48
+CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343666,8.32
+COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343667,8.7
+NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2,CHEMBL3343668,9.29
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2,CHEMBL3343669,8.77
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2,CHEMBL3343670,8.29
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2,CHEMBL3343671,8.04
+NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2,CHEMBL3343672,8.57
+NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2,CHEMBL3343673,8.29
+CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310119,7.47
+NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2,CHEMBL3310120,7.74
+N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2,CHEMBL3310121,9.05
+CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310122,8.36
+Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O,CHEMBL3310713,8.96
+CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O,CHEMBL3310714,9.15
+COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310118,8.2
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2,CHEMBL3310117,8.18
+Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2,CHEMBL3310116,9.17
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2,CHEMBL3310115,9.96
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2,CHEMBL3310114,7.96
+CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310113,8.8
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2,CHEMBL3310112,9.04
+Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310111,9.09
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2,CHEMBL3310110,8.77
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2,CHEMBL3310109,8.82
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.14
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,5.79
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,6.1
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,5.86
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.05
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,5.98
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.57
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.28
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402669,7.15
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1,CHEMBL3402668,7.18
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1,CHEMBL3402667,6.4
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1,CHEMBL3402666,7.1
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1,CHEMBL3402665,6.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1,CHEMBL3402664,7.52
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1,CHEMBL3402663,6.68
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402662,6.6
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402661,6.27
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1,CHEMBL3402660,5.39
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1,CHEMBL3402659,5.39
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1,CHEMBL3402658,6.19
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1,CHEMBL3402657,6.77
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1,CHEMBL3402656,7.7
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1,CHEMBL3402655,7.4
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1,CHEMBL3402680,8.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402681,6.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402682,7.14
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1,CHEMBL3402683,6.15
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1,CHEMBL3402684,6.52
+Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21,CHEMBL3402685,5.22
+Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21,CHEMBL3402686,6.1
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1,CHEMBL3402679,6.62
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1,CHEMBL127307,7.03
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1,CHEMBL3402678,6.96
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1,CHEMBL3402677,7.15
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1,CHEMBL3402676,7.3
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1,CHEMBL3402675,7.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1,CHEMBL3402674,7.4
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402670,7.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402671,7.22
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402672,6.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1,CHEMBL3402673,8.1
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,5.97
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL464099,6.49
+O=c1cc(COCc2ccccc2)oc2cccc(O)c12,CHEMBL3593952,5.8
+O=c1cc(CCc2ccco2)oc2cccc(O)c12,CHEMBL3593951,5.7
+O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12,CHEMBL3593950,6.0
+O=c1cc(CCc2cccc(O)c2)oc2cccc(O)c12,CHEMBL3593949,5.9
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608450,7.02
+CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608451,6.68
+CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609140,6.51
+CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609141,6.22
+CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609142,6.18
+COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609143,6.52
+C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609144,6.38
+COc1cc2c3c(c1O)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609146,6.15
+CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3c2C1Cc1cc2c(cc1-3)OCO2,CHEMBL3609147,6.38
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(CC1CC1)CC2c1ccccc1)OCO4,CHEMBL3609148,5.84
+CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612940,5.6
+Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C,CHEMBL365751,6.61
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1,CHEMBL3734894,7.23
+COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735643,6.64
+COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736516,7.68
+COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735261,8.39
+COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735434,7.44
+COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1,CHEMBL3736207,8.17
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735911,8.34
+COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2,CHEMBL3736149,8.24
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,7.59
+COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736252,7.77
+COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC,CHEMBL3735862,7.23
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,7.08
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,7.03
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,6.38
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,7.0
+Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C,CHEMBL3765778,5.72
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,7.69
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,8.14
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,7.41
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,8.21
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,7.56
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,7.165
+COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814737,7.85
+COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814708,7.27
+COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814485,7.35
+COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813789,7.29
+COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815000,7.74
+COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814821,7.77
+COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815066,7.85
+COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814559,7.74
+COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815112,8.77
+COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813796,8.51
+COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813726,8.47
+COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813855,7.89
+Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21,CHEMBL85194,7.68
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,6.91
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,7.44
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,5.8
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,6.04
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,6.69
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.29
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,7.29
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.47
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,6.12
+O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,CHEMBL3817911,6.4
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,5.9
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,5.77
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.25
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,6.69
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,5.93
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,6.21
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.56
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.82
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,6.23
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,6.14
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,6.45
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,6.63
diff --git a/chembl_200/CHEMBL1844.csv b/chembl_200/CHEMBL1844.csv
new file mode 100644
index 0000000000000000000000000000000000000000..18a720ce78c70eab1eec945cb56c8b2fef40fb2c
--- /dev/null
+++ b/chembl_200/CHEMBL1844.csv
@@ -0,0 +1,348 @@
+COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,CHEMBL124660,6.7
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,8.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,8.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,7.6
+COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,CHEMBL261849,7.4
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,7.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.8
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.3
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.4
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,7.3
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.9
+Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,CHEMBL101253,6.0
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.6
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,6.0
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.5
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.4
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.4
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,7.1
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.4
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,8.5
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.6
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,8.5
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1,CHEMBL1971141,6.4
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,8.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1988778,8.5
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.7
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.4
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.9
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,8.0
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.6
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.8
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.0
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.6
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.7
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,8.2
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,8.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,8.0
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.7
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.2
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.4
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,7.9
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.1
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.3
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,8.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,7.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,8.7
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.75
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.2
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.1
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.0
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,5.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.6
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,7.4
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,5.7
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.9
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,7.5
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.6
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,6.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.9
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.2
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,6.2
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,8.0
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,6.3
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,5.0
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,8.6
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1Cl,CHEMBL2006581,5.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,8.3
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.7
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,8.6
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.4
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,6.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.7
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,8.4
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.5
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.1
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.8
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.9
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,6.9
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.8
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.35
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.7
+Cc1cc(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1993996,8.9
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,7.6
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.5
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.1
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.8
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.8
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,7.5
+COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1,CHEMBL1991356,5.6
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.4
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,9.2
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.2
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,8.2
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.9
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.6
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.2
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,8.3
+CCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N,CHEMBL209534,5.9
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,9.0
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3Cl)n2)c1,CHEMBL1995428,6.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,8.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.2
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.8
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.4
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.9
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.7
+CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C#N,CHEMBL424872,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,7.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,8.9
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,9.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.2
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.6
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.6
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,7.2
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,7.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.4
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.1
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,8.3
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,8.7
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.7
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,7.7
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.7
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,7.4
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.4
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.3
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.2
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.1
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1,CHEMBL1985491,8.7
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,8.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.9
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.2
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.9
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,7.1
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.8
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,8.0
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.0
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.2
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.9
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,8.3
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,5.4
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4n[nH]c(N)c34)cc2)c1,CHEMBL2007266,7.8
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.9
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.4
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,8.2
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.0
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.3
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.5
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,8.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,8.5
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.6
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.9
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.3
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.9
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,6.2
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,5.9
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.9
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,7.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL271441,9.1
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,7.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.7
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.9
+Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL273187,9.5
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.8
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)ccc1F,CHEMBL1986979,8.8
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,7.6
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,8.5
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.8
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,6.0
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,7.4
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.6
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.8
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.5
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.1
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.8
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,7.1
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.9
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,7.8
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,8.6
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.8
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,6.4
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.7
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,7.8
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,6.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.5
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,8.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.4
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.9
+CCOc1nc(C(=O)NCc2ccncc2)cc(N)c1C#N,CHEMBL1984206,5.8
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,6.7
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.7
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.7
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.4
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.6
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.1
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,8.4
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,6.3
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.2
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,7.7
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.0
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.5
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.9
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,5.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,8.4
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,7.8
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.6
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,7.0
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,8.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,9.2
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.7
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,7.2
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.8
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,7.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.9
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,5.8
+Nc1ncnc2sccc12,CHEMBL1972934,4.9
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.8
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,8.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.6
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,5.6
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,8.8
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.7
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,5.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.2
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,4.1
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,8.0
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,6.9
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.7
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,7.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1,CHEMBL1992242,7.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,5.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,8.4
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,7.0
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.8
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.0
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.2
+Nc1[nH]nc2c(OCCCn3cccc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL1965387,7.5
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.5
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.6
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,8.1
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.1
+N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,CHEMBL1980802,6.8
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,8.6
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,8.4
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,CHEMBL2004355,6.7
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.4
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,8.6
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,7.6
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,7.1
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,8.1
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1994638,8.8
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,8.6
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.8
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.9
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.5
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,5.8
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,7.0
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.8
+CC(C)Nc1nccc(Nc2ncc(-c3ccccc3)s2)n1,CHEMBL2002432,6.2
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.2
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.3
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.0
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.5
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.3
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.8
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO,CHEMBL1236126,5.7
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.0
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.7
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.9
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.1
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3ccnc4c3c(N)nn4C)cc2)c1,CHEMBL1986507,8.7
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.9
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,6.5
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,6.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.8
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.7
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,6.4
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.5
+CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1,CHEMBL1993374,6.3
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,6.4
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,8.3
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,7.3
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.7
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.1
+Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1,CHEMBL259922,7.6
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,7.8
+NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O,CHEMBL1980246,5.8
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL374044,9.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,6.7
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.8
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.2
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21,CHEMBL404366,9.5
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,7.0
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,6.0
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.5
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.9
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.8
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.1
+C[C@@H](O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2022856,8.5
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,5.68
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,6.64
diff --git a/chembl_200/CHEMBL1855.csv b/chembl_200/CHEMBL1855.csv
new file mode 100644
index 0000000000000000000000000000000000000000..313e681e0d7e2e1666e07eedefdaa44493c887dd
--- /dev/null
+++ b/chembl_200/CHEMBL1855.csv
@@ -0,0 +1,643 @@
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)C(C)C)c2=O)c1F,CHEMBL119739,6.01
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)CC(C)C)c2=O)c1F,CHEMBL116259,7.41
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)CC(C)C)c2=O)c1F,CHEMBL117670,8.19
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)Cc3ccccc3)c2=O)c1F,CHEMBL119149,7.18
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1F,CHEMBL119391,6.225
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)Cc3ccccc3)c2=O)c1F,CHEMBL117396,7.8
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)C(C)C)c2=O)c1F,CHEMBL330804,7.29
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)CCc3ccccc3)c2=O)c1F,CHEMBL116576,6.02
+CN[C@H](CC(C)C)Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O,CHEMBL116071,8.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C3CCCC3)N(C)C)c2=O)c1F,CHEMBL115703,9.22
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)CC(C)(C)C)c2=O)c1F,CHEMBL115965,7.15
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)C3CCCC3)c2=O)c1F,CHEMBL119808,8.0
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C3CCCC3)N(C)C)c2=O)c1F,CHEMBL333850,8.62
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)C3CCCC3)c2=O)c1F,CHEMBL119185,7.03
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](Cc3ccccc3)N(C)C)c2=O)c1F,CHEMBL116074,8.1
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)C3CCCCC3)c2=O)c1F,CHEMBL180124,7.34
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](NC(C)C)C3CCCC3)c2=O)c1F,CHEMBL117504,7.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C3CCCCC3)N(C)C)c2=O)c1F,CHEMBL119774,8.39
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](CC(C)C)NC(C)C)c2=O)c1F,CHEMBL116976,7.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](NC(C)C)C3CCCCC3)c2=O)c1F,CHEMBL327076,7.64
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL419998,8.57
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL324375,7.26
+CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCN(CC)CC)n2c1=O,CHEMBL132392,6.36
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL130513,6.72
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL130126,8.92
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NC4CCCC4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL434423,8.04
+CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL339273,6.81
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccc2)cc1,CHEMBL337919,8.68
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NC4CCCCC4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL131127,7.49
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL127502,6.4
+CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL340156,8.48
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NCCCc4ccccc4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL130558,8.96
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCN(CC)CC)cc1,CHEMBL434995,8.24
+CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n(Cc3ccccc3F)cc(-c3nc(C(C)(C)C)co3)c(=O)n12,CHEMBL132338,7.19
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL128810,7.68
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL335610,7.36
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NCCOC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL434621,6.2
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NCCCc4ccccc4)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL339468,7.77
+CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n(Cc3ccccc3F)cc(C3=NC(C)(C)CO3)c(=O)n12,CHEMBL132339,6.57
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL132616,7.38
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)C)cc1,CHEMBL131942,6.89
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc([N+](=O)[O-])cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL130195,6.35
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL130400,8.4
+CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL334537,7.85
+CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL335647,8.42
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL308910,8.55
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL337865,7.21
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL130487,7.0
+CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL131182,8.0
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL337748,7.85
+Cc1cc(-c2c(OCC[C@@H]3CCN3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C,CHEMBL120432,9.4
+CCc1ccc(CN[C@@H](C)Cn2c(=O)c(-c3cccc(OC)c3F)c(C)n(Cc3c(F)cccc3F)c2=O)o1,CHEMBL22314,7.82
+CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)c2c1=O,CHEMBL71917,9.7
+CCCC(=O)Nc1ccc(-c2cn3c(=O)c(C(=O)OC(CC)CC)cn(Cc4ccccc4F)c3n2)cc1,CHEMBL68964,4.55
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)Cc2ccco2)cc1,CHEMBL71793,7.54
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCOC)cc1,CHEMBL303260,7.44
+CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL68664,6.02
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2N2CCC3C=CC=CC3C2)cc1,CHEMBL308696,6.54
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccc2)cc1,CHEMBL306684,7.85
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN2CCCC2)cc1,CHEMBL69914,5.66
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL273358,7.39
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CC#N)cc1,CHEMBL70276,6.52
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)Cc2cccnc2)cc1,CHEMBL304156,7.28
+CCCC(=O)Nc1ccc(-c2cn3c(=O)c(C(=O)OCC)cn(Cc4ccccc4F)c3n2)cc1,CHEMBL262787,4.52
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL71141,7.92
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL302769,8.12
+CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL70851,6.64
+CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL67638,7.1
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCCc3ccccn3)c2=O)c1,CHEMBL280430,6.11
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1,CHEMBL326510,5.6
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3ccccn3)c2=O)c1,CHEMBL23823,6.34
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCc3ccccc3)c2=O)c1,CHEMBL23767,6.89
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCc3ccccn3)c2=O)c1,CHEMBL23854,7.82
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)N(C)CCCOCC(C)C)c2=O)c1,CHEMBL113455,6.62
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N(C)Cc3ccccc3)c2=O)c1,CHEMBL113216,6.48
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]3CCCN3Cc3ccccn3)c2=O)c1,CHEMBL325326,7.49
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)NCCc3ccccn3)c2=O)c1,CHEMBL334037,6.77
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3ccccc3)c2=O)c1,CHEMBL25714,6.85
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)NCc3ccccc3)c2=O)c1,CHEMBL320920,6.55
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)Cc3ccccn3)c2=O)c1,CHEMBL324759,6.33
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)N(C)CCc3ccccn3)c2=O)c1,CHEMBL112287,7.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)N(C)Cc3ccccc3)c2=O)c1,CHEMBL432585,6.51
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)Cc3ccccc3)c2=O)c1,CHEMBL112093,6.6
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)N(C)Cc3ccccn3)c2=O)c1,CHEMBL113151,7.74
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N)c2=O)c1,CHEMBL322283,4.74
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]3CCCN3Cc3ccccn3)c2=O)c1,CHEMBL431248,6.68
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCCc3ccccn3)c2=O)c1,CHEMBL23337,7.1
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)NCCCOCC(C)C)c2=O)c1,CHEMBL325391,7.09
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)NCc3ccccn3)c2=O)c1,CHEMBL113059,7.28
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCc3ccccn3)c2=O)c1,CHEMBL325942,6.26
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)Cc3ccccn3)c2=O)c1,CHEMBL112611,7.02
+CCOC(=O)c1cn(Cc2cc(F)ccc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL127384,5.92
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL337172,5.74
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL334063,7.0
+CCOC(=O)c1cn(Cc2ccccc2OC)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL340856,5.18
+COc1ccc(-c2c(C#N)c3n(Cc4ccccc4F)cc(C(=O)OC(C)C)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL130855,6.4
+CN(CCc1ccccn1)Cc1c(-c2ccc(OC3CCCC3)cc2)c(C#N)c2n(Cc3ccccc3F)cc(C(=O)OC3CCCC3)c(=O)n12,CHEMBL131665,7.48
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OC4CCCC4)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL339968,7.51
+CCOC(=O)c1cn(Cc2cccc(F)c2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL435793,5.62
+CCOC(=O)c1cn(Cc2ccccc2C#N)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL337433,5.31
+CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL131589,5.43
+CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3cccnc3)n2c1=O,CHEMBL130861,4.55
+CCOC(=O)c1cn(Cc2ccccc2)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL132387,5.59
+CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL334729,6.4
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL407399,6.3
+CCOC(=O)c1cn(Cc2ccccc2OC)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL341124,5.66
+CCOC(=O)c1cn(Cc2c(F)cccc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL335196,6.1
+COc1ccc(-c2c(C#N)c3n(Cc4ccccc4F)cc(C(=O)OC4CCCC4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL339211,6.59
+COc1ccc(-c2c(C#N)c3n(Cc4ccccc4F)cc(C(=O)OC4CCOC4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL340677,5.68
+CCOC(=O)c1cn(Cc2ccccc2)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL132179,4.38
+CCOC(=O)c1cn(Cc2c(F)cccc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL130607,5.7
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL443027,7.6
+COc1ccc(-c2c(C#N)c3n(Cc4ccccc4F)cc(C(=O)OC(C4CC4)C4CC4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL128262,5.6
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL340934,6.74
+CCOC(=O)c1cn(Cc2ccccc2Cl)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL132661,5.07
+CCOC(=O)c1cn(Cc2cc(F)ccc2F)c2c(C#N)c(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL335650,5.22
+CCN(CCc1ccccn1)Cc1c(C(C)(C)C)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12,CHEMBL52506,8.1
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)Cc4ccccn4)n3c2=O)c1,CHEMBL49297,7.96
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccc1,CHEMBL301322,6.89
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCCc4ccccn4)n3c2=O)c1,CHEMBL301285,6.8
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)CCc4ccccn4)n3c2=O)c1,CHEMBL50546,8.28
+CCCCN(C)Cc1c(C(C)(C)C(=O)OC)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12,CHEMBL49872,6.49
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CNCCc4ccccn4)cn3c2=O)c1,CHEMBL48193,6.46
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)C)n3c2=O)c1,CHEMBL48944,5.77
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)Cc1ccccn1,CHEMBL299348,8.38
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN1CCN(C)CC1,CHEMBL51232,5.11
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc4c(n3c2=O)CN(CCc2ccccn2)CC4(C)C)c1,CHEMBL295807,4.92
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCc4ccccc4)n3c2=O)c1,CHEMBL295275,6.62
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCC4CCCCC4)n3c2=O)c1,CHEMBL299320,6.37
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccn1,CHEMBL298982,8.92
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)Cc1ccccc1O,CHEMBL51983,6.31
+COCCN(C)Cc1c(C(C)(C)C(=O)OC)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12,CHEMBL301103,6.52
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCc4ccccn4)n3c2=O)c1,CHEMBL50009,7.52
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCC4CCCC4)n3c2=O)c1,CHEMBL299335,5.19
+CCN(CC)CCN(C)Cc1c(C(C)(C)C)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12,CHEMBL48806,6.59
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)Cc1ccccc1,CHEMBL50856,7.23
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)Cc4ccccc4)n3c2=O)c1,CHEMBL48316,7.14
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN1CCc2ccccc2C1,CHEMBL299850,5.04
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)Cc1cccnc1,CHEMBL48389,6.4
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CO)c(CN(C)Cc4ccccn4)n3c2=O)c1,CHEMBL300079,8.1
+COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)CCc4ccccc4)n3c2=O)c1,CHEMBL300080,6.72
+COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN1CCC(c2ccccc2)CC1,CHEMBL300484,5.29
+COCCN(C)Cc1c(C(C)(C)C)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12,CHEMBL297938,6.37
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cccc(OC)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL297491,8.34
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL116989,5.59
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(CN(C)Cc3ccco3)n2c1=O,CHEMBL117346,7.04
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL117977,7.38
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(CN(C)Cc3ccco3)n2c1=O,CHEMBL435784,4.62
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL117069,8.05
+CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL116988,6.7
+CN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL122064,6.19
+CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL332570,6.82
+CCN(CC)CCN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL333213,7.12
+CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL22055,9.7
+C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL333103,7.37
+O=c1c2c(CN3CCNCC3)c(-c3ccc([N+](=O)[O-])cc3)sc2n(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1,CHEMBL332194,6.34
+CN(Cc1ccccc1)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL332138,7.44
+CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL280213,8.54
+CN(CCc1ccccc1)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL120260,6.77
+CC(C)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL330834,7.06
+CN(Cc1ccccc1)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL262557,6.74
+CC(C)CNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL332837,7.77
+CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL121441,7.8
+CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CCN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL334148,6.44
+CC(C)C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL120149,7.24
+CN(Cc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL331762,8.05
+CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL333518,9.22
+CCCCN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL333233,6.57
+CC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL332355,8.39
+CCNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL332463,7.96
+CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL435167,9.4
+CN(Cc1ccccc1)Cc1c(-c2ccc(N(C)C)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL330835,7.21
+CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,CHEMBL21126,9.1
+COCCN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL334110,6.77
+CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CCCN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,CHEMBL332616,6.52
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1C(C)c1ccccc1,CHEMBL430618,6.85
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1C(F)(F)F,CHEMBL308289,8.455
+COc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL430613,6.82
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1Cl,CHEMBL75439,7.58
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccc1,CHEMBL72913,6.03
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1,CHEMBL73575,6.01
+Cc1ccc(Cn2c(C)c(-c3ccccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)o1,CHEMBL73454,6.37
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1,CHEMBL433302,7.26
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Cl,CHEMBL74721,7.71
+COCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL73526,5.845
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1,CHEMBL76277,7.16
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1,CHEMBL311407,7.15
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccc(F)c1,CHEMBL311380,7.19
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CCCCC1,CHEMBL72606,6.775
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccnc1,CHEMBL72199,6.08
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC(C)C,CHEMBL74925,6.27
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1C1CCCCC1,CHEMBL310716,6.59
+CCCCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL308154,6.64
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1F,CHEMBL74686,7.707000000000001
+Cc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL75954,7.58
+Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL419270,8.23
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3)c2=O)c1,CHEMBL23237,7.12
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3F)c2=O)c1,CHEMBL111980,7.05
+COc1ccc(CNC[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)cc1,CHEMBL331592,6.14
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)CC3CC3)c2=O)c1,CHEMBL325233,6.23
+COc1cccc(CNC[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL112559,7.7
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCC(C)C)c2=O)c1,CHEMBL112131,5.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3OC)c2=O)c1,CHEMBL23256,6.49
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccc(F)cc3)c2=O)c1,CHEMBL110052,6.6
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)CCc3ccccn3)c2=O)c1,CHEMBL326804,7.7
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)Cc3ccccc3)c2=O)c1,CHEMBL113183,6.82
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3C)c2=O)c1,CHEMBL282707,6.4
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3C)c2=O)c1,CHEMBL23321,7.15
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNC3CCCC3)c2=O)c1,CHEMBL112188,6.37
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCC3CC3)c2=O)c1,CHEMBL114183,5.8
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3)c2=O)c1,CHEMBL432262,6.43
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3cccc(F)c3)c2=O)c1,CHEMBL111933,7.07
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C3CCN(Cc4ccccc4)C3)c2=O)c1,CHEMBL114399,6.55
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)CCc3ccccn3)c2=O)c1,CHEMBL419212,5.74
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCC(C)C)c2=O)c1,CHEMBL113068,6.72
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3F)c2=O)c1,CHEMBL112461,6.26
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C3CCN(CCc4ccccn4)C3)c2=O)c1,CHEMBL326885,5.08
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)CC3CC3)c2=O)c1,CHEMBL112625,5.15
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNC3CCCC3)c2=O)c1,CHEMBL112881,6.02
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C3CCNC3)c2=O)c1,CHEMBL114370,4.82
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)Cc3ccccc3)c2=O)c1,CHEMBL112730,5.7
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCC3CC3)c2=O)c1,CHEMBL114619,6.11
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCc3ccccc3)c2=O)c1,CHEMBL64795,6.62
+Cc1c(-c2cccc(OC(F)(F)F)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL64273,5.32
+COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1,CHEMBL293247,5.77
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCCc3cnc[nH]3)c2=O)c1,CHEMBL64066,5.42
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@H]3Cc3ccccn3)c2=O)c1,CHEMBL303140,6.89
+CCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1,CHEMBL417558,6.66
+CCc1c(-c2cccc(OC)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL304002,5.66
+Cc1c(-c2ccccc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL22563,6.4
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@@H]3Cc3ccccn3)c2=O)c1,CHEMBL64212,5.32
+COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL23900,6.64
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCCC3c3ccccn3)c2=O)c1,CHEMBL303811,6.28
+Cc1c(-c2ccc3c(c2)OCCO3)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL22929,7.62
+Cc1c(-c2ccc3c(c2)OCO3)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL23797,7.42
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCCc3ccccc3)c2=O)c1,CHEMBL64252,5.96
+Cc1c(-c2cccc(O)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL60618,6.32
+Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL60153,7.52
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)CCc2ccncc2)cc1,CHEMBL68985,5.85
+CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O,CHEMBL308446,6.64
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cccc(S)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL303621,7.25
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN2CCCN(C)CC2)cc1,CHEMBL304067,5.02
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc(OC)c(OC)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL68753,6.96
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(Br)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL68537,5.6
+COCCN(C)Cc1c(-c2ccc(OC)cc2)nc2n(Cc3ccccc3F)c(C)c(-c3ccc4c(c3)OCO4)c(=O)n12,CHEMBL66808,6.82
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN2CCOCC2)cc1,CHEMBL304950,4.55
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cc(OC)c(OC)c(OC)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL68698,6.43
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)CCc2ccccc2F)cc1,CHEMBL305034,7.17
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cc(Cl)cc(Cl)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL304548,7.0
+CCN(CC)CCN(C)Cc1c(-c2ccc(OC)cc2)nc2n(Cc3ccccc3F)c(C)c(-c3ccc4c(c3)OCO4)c(=O)n12,CHEMBL67370,6.89
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccccc4OC)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL71400,7.19
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cccc(C(F)(F)F)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL67820,6.85
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL306431,7.33
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc(OC)cc4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL432922,7.74
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4cccc(F)c4)c(=O)n3c2CN(C)CCc2ccccn2)cc1,CHEMBL69361,7.1
+CCCCN(C)Cc1c(-c2ccc(OC)cc2)nc2n(Cc3ccccc3F)c(C)c(-c3ccc4c(c3)OCO4)c(=O)n12,CHEMBL68625,6.66
+COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)CCc2ccccc2)cc1,CHEMBL68988,6.96
+COC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1,CHEMBL331277,7.62
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccccc3)o1)C(C)(C)CCC2(C)C,CHEMBL326313,6.99
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNC(=O)C(F)(F)F)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL332923,7.18
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCCC3)o1)C(C)(C)CCC2(C)C,CHEMBL430250,6.74
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@H](CNC(=N)N)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL115482,7.8
+Cc1cnc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cn1,CHEMBL116246,7.25
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CN(C)C)cc3)o1)C(C)(C)CCC2(C)C,CHEMBL326606,7.1
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CN)c3)o1)C(C)(C)CCC2(C)C,CHEMBL421418,7.04
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CN)cc3)o1)C(C)(C)CCC2(C)C,CHEMBL119856,6.85
+Cc1ccc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cc1,CHEMBL324771,7.08
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL117863,7.89
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCC(CNC(=O)C(F)(F)F)C3)o1)C(C)(C)CCC2(C)C,CHEMBL445074,7.7
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNC(=N)N)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL261145,7.4
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CN)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL115425,7.38
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCC(CN)C3)o1)C(C)(C)CCC2(C)C,CHEMBL117330,6.76
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNCc4cc(=O)[nH]c(=O)[nH]4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL325747,7.62
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@@H](CNC(=N)N)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL117736,7.4
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL323687,6.6
+CCOC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1,CHEMBL325843,7.29
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCN(C(=N)N)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL116986,6.66
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(C#N)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL117170,7.77
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNCc4c(C)noc4C)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL324394,6.74
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCNCC3)o1)C(C)(C)CCC2(C)C,CHEMBL116611,6.15
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL323863,7.27
+Cc1c(-c2ccccc2F)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL277439,7.09
+COCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1,CHEMBL23231,5.82
+Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL23604,6.66
+COc1cc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc(OC)c1OC,CHEMBL22852,4.97
+COCc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL429062,5.85
+Cc1c(-c2ccc3ccccc3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL22937,6.34
+CSc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL22459,6.92
+COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1OC,CHEMBL22300,5.32
+CCOc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL281776,6.17
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1F,CHEMBL417645,8.52
+Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL23198,6.77
+Cc1c(-c2cccc(F)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL421858,5.92
+Cc1c(-c2ccc3c(c2)OC(F)(F)O3)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL23737,6.33
+Cc1c(-c2cccc(Cl)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL22559,6.43
+Cc1c(-c2cccc(C(C)C)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL23908,6.62
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3C)c2=O)c1F,CHEMBL283170,8.15
+Cc1c(-c2ccc(C(C)C)cc2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F,CHEMBL22196,6.96
+C=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1,CHEMBL23673,6.47
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@H](CNc4ccnc(NC[C@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL331204,6.76
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nccc(Cl)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL120834,6.77
+COc1cc(OC)nc(NCC2CCC(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)CC2)n1,CHEMBL333349,6.52
+Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CC[C@H](CNc4ccnc(NC[C@@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL121535,7.55
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCC(CNc4ncccn4)C3)o1)C(C)(C)CCC2(C)C,CHEMBL333730,7.17
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ccnc(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL333345,8.03
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nccc(NCC5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL120420,7.13
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4ncc(C#N)c(N)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL331087,7.2
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4cc(Cl)nc(N)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL121551,7.46
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ccnc(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL121145,8.0
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ncc(C)c(NCC5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL333574,7.85
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL120164,7.25
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(N5CCOCC5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL121367,7.1
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ncc(F)c(N)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL120397,6.66
+COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1,CHEMBL123284,7.96
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ncccn4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL331337,6.89
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4ncccn4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL332305,6.82
+COC(=O)c1cc(C)nc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1,CHEMBL118330,6.29
+COCCNc1nccc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1,CHEMBL121412,7.36
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4ncccn4)cc3)o1)C(C)(C)CCC2(C)C,CHEMBL123301,6.96
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(C(F)(F)F)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL122653,6.11
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL124056,8.1
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4ccnc(Cl)n4)CC3)o1)C(C)(C)CCC2(C)C,CHEMBL121576,6.99
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4nccc(NCC5CCCO5)n4)cc3)o1)C(C)(C)CCC2(C)C,CHEMBL331855,7.4
+Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(NCC5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C,CHEMBL119546,7.48
+Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCC(Nc4nccc(NCC5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C,CHEMBL333461,7.24
+Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1,CHEMBL120048,7.54
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,CHEMBL303274,8.72
+CC(=O)N[C@@H]1CCC(=O)NCC(=O)NCC[C@H]2NC(=O)[C@@H](CC(=O)NC[C@H](C(N)=O)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC2=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC1=O,CHEMBL438897,9.62
+CC(C)C[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)NCCC(=O)N2CC=C[C@H]2C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C,CHEMBL264806,7.85
+CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCNC(=O)CNC(=O)CC[C@H](NC1=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2,CHEMBL405548,9.85
+CC(=O)N1CC=C[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,CHEMBL269726,9.57
+CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2,CHEMBL441208,9.49
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL292291,8.32
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL40743,6.72
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL418256,7.73
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL384920,6.69
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,CHEMBL418067,8.14
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](NC)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL288396,7.1
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(CC3CC3)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,CHEMBL408925,8.89
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C,CHEMBL12282,9.48
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,CHEMBL264043,8.82
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+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL275467,7.73
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+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@H]2CC(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL276217,6.56
+CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCCC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,CHEMBL12666,5.79
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F,CHEMBL540207,7.66
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](c3ccccc3)N(C)C)c2=O)c1F,CHEMBL361128,7.82
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+Cc1c(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL426783,8.55
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+NC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1)CO2)c1ccccc1,CHEMBL361619,6.15
+NC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1F)CO2)c1ccccc1,CHEMBL362025,6.64
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+COc1cccc(-c2c3n(c(=O)n(CC(N)c4ccccc4)c2=O)C(c2ccccc2)CO3)c1F,CHEMBL425529,6.9
+N[C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1)CS2)c1ccccc1,CHEMBL179101,6.8
+NC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1,CHEMBL362283,6.66
+COc1cccc(-c2c3n(c(=O)n(CC(N)c4ccccc4)c2=O)C(c2ccccc2F)CS3)c1F,CHEMBL362237,7.4
+NC(Cn1c(=O)c(-c2ccccc2Cl)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1,CHEMBL181945,7.03
+COc1cccc(-c2c3n(c(=O)n(CC(N)c4ccccc4)c2=O)C(c2ccccc2F)CS3)c1Cl,CHEMBL360126,8.35
+COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL191817,8.274
+COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F,CHEMBL363094,6.24
+N[C@@H](Cn1c(=O)c(-c2cccc(O)c2F)cn(Cc2c(F)cccc2F)c1=O)c1ccccc1,CHEMBL370480,6.18
+N[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2F)c1=O)c1ccccc1,CHEMBL192172,8.22
+CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL371613,8.89
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+COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl,CHEMBL192912,9.0
+COc1cccc(-c2cn(Cc3c(F)cccc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL192171,8.85
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+N[C@@H](Cn1c(=O)c(-c2ccccc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL365985,8.11
+N[C@@H](Cn1c(=O)c(-c2ccccc2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL193031,8.1
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+N[C@@H](Cn1c(=O)c(-c2cccc(O)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL435689,7.74
+CCOc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL190929,8.74
+N[C@@H](Cn1c(=O)c(-c2cccc(OCC(F)(F)F)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL192096,8.09
+CC(C)Oc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL370711,8.2
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+Cc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(Cl)c1,CHEMBL365561,8.59
+N[C@@H](Cn1c(=O)c(-c2ccc(C(F)(F)F)cc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL189964,6.7
+COc1cccc(-n2c(=O)n(CCN(C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL180352,5.38
+COc1cccc(N2CN(Cc3c(F)cccc3F)C(=O)N(C[C@H](N)c3ccccc3)C2=O)c1,CHEMBL2113012,8.64
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1,CHEMBL366701,7.43
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3)c2=O)c1,CHEMBL369723,6.92
+N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccccc2F)c1=O)c1ccccc1,CHEMBL182284,7.05
+N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O)c1ccccc1,CHEMBL182145,6.66
+N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1,CHEMBL179953,6.39
+NC(Cc1c[nH]c2ccccc12)Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O,CHEMBL359741,6.42
+CCNc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1,CHEMBL365695,6.57
+Cc1c(-c2csc(N3CCOCC3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL360384,5.82
+Cc1c(-c2csc(Nc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL184855,7.15
+Cc1c(-c2csc(N(C)c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL367812,7.47
+Cc1c(-c2csc(NCc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL186646,7.46
+Cc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1,CHEMBL361313,6.68
+Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)c(C)c1,CHEMBL360625,6.89
+Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,CHEMBL187217,7.31
+COc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1,CHEMBL366127,6.89
+COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,CHEMBL365001,7.38
+COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1OC,CHEMBL363900,7.48
+Cc1c(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL360363,6.8
+Cc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cs1,CHEMBL363659,6.92
+Cc1c(-c2csc(-c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL426058,7.59
+Cc1c(-c2csc(Cc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL364842,8.05
+Cc1c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL187243,7.33
+Cc1c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL361513,6.82
+Cc1c(-c2csc(-c3ccc(F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL438201,7.38
+Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,CHEMBL363731,7.74
+Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1F,CHEMBL425178,7.31
+Cc1c(-c2csc(-c3ccccc3Cl)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL185154,7.52
+Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL183938,7.82
+Cc1c(-c2csc(-c3ccc4c(c3)CCO4)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL364840,7.7
+CCOC(=O)Nc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,CHEMBL185143,8.15
+Cc1c(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL367806,6.3
+Cc1c(-c2cccs2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL186563,8.0
+Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)s1,CHEMBL365012,8.52
+Cc1c(-c2ccc(Cl)s2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL363759,8.7
+Cc1c(-c2ccc(Cl)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL184345,7.85
+Cc1c(-c2csc(N)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,CHEMBL367369,5.52
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3F)c2=O)c1,CHEMBL175821,6.92
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3F)c2=O)c1F,CHEMBL176056,7.7
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(CC(N)CC(C)C)c2=O)c1F,CHEMBL179212,6.21
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL367388,8.05
+COc1cccc(-n2c(=O)n(CCC(N)c3ccccc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL360447,7.15
+COc1cccc(-n2c(=O)n(CCC(N)c3ccccc3F)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL180421,6.1
+COc1cccc(-n2c(=O)n(CCC(N)c3ccccc3Cl)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL368153,6.74
+COc1cccc(-n2c(=O)n(CC[C@H](N)CC(C)C)c(=O)n(Cc3c(F)cccc3F)c2=O)c1F,CHEMBL369706,5.82
+COc1cccc(-n2c(=O)n(Cc3c(Cl)cccc3C#N)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL367548,7.14
+COc1ccccc1Cn1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(-c2cccc(OC)c2F)c1=O,CHEMBL176020,6.92
+COc1cccc(-n2c(=O)n(Cc3ccccc3C)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL176029,7.54
+COc1cccc(-n2c(=O)n(Cc3cccnc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL177182,7.18
+COc1cccc(-n2c(=O)n(CCC(N)c3cccs3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL179023,7.57
+COc1cccc(-n2c(=O)n(Cc3c(Cl)cccc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL369453,7.44
+COc1cccc(-n2c(=O)n(Cc3ccccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL175465,7.96
+COc1cccc(-n2c(=O)n(CCC(N)c3cccc(F)c3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL175491,7.18
+COc1cccc(-n2c(=O)n(Cc3ccccc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL178218,7.7
+COc1cccc(-n2c(=O)n(CCC(N)c3cccnc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL360472,6.24
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(CC(CN)c3ccccc3)c2=O)c1,CHEMBL177523,7.55
+COc1cccc(-n2c(=O)n(CCC(N)c3ccc(F)cc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL175869,7.08
+COc1cccc(-n2c(=O)n(CC[C@H](N)c3ccccc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1F,CHEMBL360047,7.62
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL180372,8.3
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL175711,8.52
+COc1cccc(-n2c(=O)n(CCC(N)c3ccccc3C)c(=O)n(Cc3c(F)cccc3F)c2=O)c1,CHEMBL176284,7.12
+COc1cccc(-n2c(=O)n(C[C@H](N)c3ccccc3)c(=O)n(C(C)c3c(F)cccc3F)c2=O)c1F,CHEMBL366883,6.2
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,9.4
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCc2cn(CCOCCOCCOCCOCCn3cc(CNC(=O)CN(Cc4ccccc4)Cc4c(-c5ccc(NC(=O)NCC)cc5)nc5n(Cc6c(F)cccc6F)cc(C(=O)OCC)c(=O)n45)nn3)nn2)Cc2ccccc2)cc1,CHEMBL392008,6.71
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCc2cn(CCOCCOCCOCCn3cc(CNC(=O)CN(Cc4ccccc4)Cc4c(-c5ccc(NC(=O)NCC)cc5)nc5n(Cc6c(F)cccc6F)cc(C(=O)OCC)c(=O)n45)nn3)nn2)Cc2ccccc2)cc1,CHEMBL395826,7.16
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCc2cn(CCOCCOCCn3cc(CNC(=O)CN(Cc4ccccc4)Cc4c(-c5ccc(NC(=O)NCC)cc5)nc5n(Cc6c(F)cccc6F)cc(C(=O)OCC)c(=O)n45)nn3)nn2)Cc2ccccc2)cc1,CHEMBL395825,7.23
+C#CCNC(=O)CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)NCC)cc2)nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12,CHEMBL235179,8.28
+CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)NCc4cn(CCOCCOCCOCCn5cc(CNC(=O)Nc6ccc(-c7nc8n(Cc9c(F)cccc9F)cc(C(=O)OCC)c(=O)n8c7CN(C)Cc7ccccc7)cc6)nn5)nn4)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL392434,7.53
+CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)NCc4cn(CCOCCOCCn5cc(CNC(=O)Nc6ccc(-c7nc8n(Cc9c(F)cccc9F)cc(C(=O)OCC)c(=O)n8c7CN(C)Cc7ccccc7)cc6)nn5)nn4)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL427981,7.63
+C#CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)Cc2ccccc2)cc1,CHEMBL237734,8.87
+C#CCNC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)NCC)cc3)c(CN(C)Cc3ccccc3)n2c1=O,CHEMBL238160,6.79
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccccc2)CC3)c1,CHEMBL236544,5.89
+CN(C)[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1,CHEMBL430171,7.15
+CN[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1,CHEMBL392709,7.35
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL236152,8.0
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCN(C[C@@H]3CCCN3Cc3ccccn3)C1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL393093,5.86
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1Cc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL393092,7.7
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1C1CCCC1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL235519,5.86
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCN(CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL235046,6.22
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236967,6.31
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCN(Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236966,6.8
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCN(C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236965,5.59
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCNC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236550,5.61
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL236197,5.62
+O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL236142,7.52
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL392731,7.6
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCCN4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL413239,6.02
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCCN4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL392815,6.28
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCCN4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL392733,5.59
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCCCN4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL392087,5.77
+Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236342,6.74
+Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL236137,5.74
+CCc1ccc(CN2CCc3c(c(=O)n(CCN(C)C)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL392688,5.85
+Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3C(F)(F)F)C2)sc2ccccc12,CHEMBL413238,8.0
+Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3ccccc3F)C2)sc2ccccc12,CHEMBL262581,7.1
+Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3ccccc3)C2)sc2ccccc12,CHEMBL392607,6.52
+Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3CC3CCCCC3)C2)sc2ccccc12,CHEMBL262580,6.42
+Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)sc2ccccc12,CHEMBL262579,7.82
+Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL235270,8.3
+Cc1cc(Cl)ccc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1,CHEMBL392605,8.3
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)c(Cl)c1)C2,CHEMBL392604,6.59
+Cc1ccccc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1,CHEMBL236332,7.07
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1cccc(Cl)c1)C2,CHEMBL236331,6.07
+CCSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL16745,7.82
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2,CHEMBL392603,6.09
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(F)(F)F)cc1)C2,CHEMBL392602,7.52
+CSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL235269,7.91
+COc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL235051,7.0
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL236127,7.77
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(C)(C)C)cc1)C2,CHEMBL235050,6.52
+CCc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL242399,7.7
+Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1,CHEMBL235520,7.46
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(CCc1c[nH]c3ccccc13)C2,CHEMBL236546,6.29
+CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccccc1)C2,CHEMBL235084,6.0
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccccc2OC)CC3)c1,CHEMBL398583,6.01
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccc(-n4ccnc4)cc2)CC3)c1,CHEMBL395183,6.27
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(CCc2c[nH]c4ccccc24)CC3)c1,CHEMBL412581,5.66
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccncc2)CC3)c1,CHEMBL236750,5.8
+COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CNCC3)c1,CHEMBL236545,6.01
+CCOC(=O)c1cn(Cc2c(F)cccc2F)c2cc(-c3ccc(NC(=O)CC)cc3)c(CN(C)Cc3ccccc3)cc2c1=O,CHEMBL405449,7.3
+Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(C)CNCCCCc2ccnnc2)c1,CHEMBL408746,9.15
+CNCCNc1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1,CHEMBL411526,9.0
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)NCc3nccs3)c2=O)c1F,CHEMBL260062,8.22
+COc1ccc(CN2CC3CC(c4ccc(N(C)C)c5ccccc45)N4C(=O)N(CCN5CCOCC5)C(=O)C34C2)cc1NC(C)=O,CHEMBL260816,7.68
+CC(CCN1CCc2c(c(=O)n(CCN3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C,CHEMBL263118,5.36
+NC(CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2,CHEMBL410680,5.49
+Cc1ccc(CN2CCc3c(c(=O)n(CC4CCNCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL260540,5.72
+CNC(Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C)cc1C)C2)c1ccccc1,CHEMBL260552,7.3
+Cc1ccc(CN2CCc3c(c(=O)n(CC4NCCc5ccccc54)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1,CHEMBL172192,6.96
+CC(C)CN(C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(OC(F)(F)F)cc1)C2,CHEMBL260058,5.6
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCC(=O)NCC#Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL406958,6.77
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC(C(=O)NCC#Cc3ccc(C#CCNC(=O)C4CCN(C(=O)CN(Cc5ccccc5)Cc5c(-c6ccc(NC(=O)NCC)cc6)nc6n(Cc7c(F)cccc7F)cc(C(=O)OCC)c(=O)n56)CC4)cc3)CC2)Cc2ccccc2)cc1,CHEMBL438168,6.29
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC[C@H]2C(=O)NCC#Cc2ccc(C#CCNC(=O)[C@@H]3CCCN3C(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)cc2)Cc2ccccc2)cc1,CHEMBL260750,6.13
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCCCC(=O)NCC#Cc2ccc(C#CCNC(=O)CCCCCNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)cc2)Cc2ccccc2)cc1,CHEMBL260812,6.21
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCC(=O)NCC#Cc2ccc(C#CCNC(=O)CCCNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)cc2)Cc2ccccc2)cc1,CHEMBL406960,6.22
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@H](C(=O)NCC#Cc2ccc(C#CCNC(=O)[C@@H](NC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)C(C)C)cc2)C(C)C)Cc2ccccc2)cc1,CHEMBL408760,6.14
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc2ccc(C#CCNC(=O)[C@H](C)NC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)cc2)Cc2ccccc2)cc1,CHEMBL259878,6.32
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCC(=O)NCC#Cc2ccc(C#CCNC(=O)CNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)cc2)Cc2ccccc2)cc1,CHEMBL262599,6.28
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC(C(=O)NCC#Cc3cccc(C#CCNC(=O)C4CCN(C(=O)CN(Cc5ccccc5)Cc5c(-c6ccc(NC(=O)NCC)cc6)nc6n(Cc7c(F)cccc7F)cc(C(=O)OCC)c(=O)n56)CC4)c3)CC2)Cc2ccccc2)cc1,CHEMBL436906,6.4
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC[C@H]2C(=O)NCC#Cc2cccc(C#CCNC(=O)[C@@H]3CCCN3C(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)c2)Cc2ccccc2)cc1,CHEMBL266172,6.03
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCCCC(=O)NCC#Cc2cccc(C#CCNC(=O)CCCCCNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)c2)Cc2ccccc2)cc1,CHEMBL406084,6.03
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCC(=O)NCC#Cc2cccc(C#CCNC(=O)CCCNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)c2)Cc2ccccc2)cc1,CHEMBL436862,6.09
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@H](C(=O)NCC#Cc2cccc(C#CCNC(=O)[C@@H](NC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)C(C)C)c2)C(C)C)Cc2ccccc2)cc1,CHEMBL406713,5.66
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc2cccc(C#CCNC(=O)[C@H](C)NC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)c2)Cc2ccccc2)cc1,CHEMBL437260,5.28
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCC(=O)NCC#Cc2cccc(C#CCNC(=O)CNC(=O)CN(Cc3ccccc3)Cc3c(-c4ccc(NC(=O)NCC)cc4)nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)c2)Cc2ccccc2)cc1,CHEMBL408759,5.96
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)NCC(=O)N2CCC(C(=O)NCC#Cc3ccccc3C#CCNC(=O)C3CCN(C(=O)CN(Cc4ccccc4)Cc4c(-c5ccc(NC(=O)NCC)cc5)nc5n(Cc6c(F)cccc6F)cc(C(=O)OCC)c(=O)n45)CC3)CC2)Cc2ccccc2)cc1,CHEMBL404611,6.3
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC#Cc2ccccc2C#CCNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)Cc2ccccc2)cc1,CHEMBL429690,6.07
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)NCCCCCC(=O)NCC#Cc2ccccc2C#CCNC(=O)CCCCCNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)Cc2ccccc2)cc1,CHEMBL260318,6.15
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)NCCCC(=O)NCC#Cc2ccccc2C#CCNC(=O)CCCNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)Cc2ccccc2)cc1,CHEMBL262335,6.08
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)N[C@H](C(=O)NCC#Cc2ccccc2C#CCNC(=O)[C@@H](NC(=O)CNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)C(C)C)C(C)C)Cc2ccccc2)cc1,CHEMBL436697,5.48
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc2ccccc2C#CCNC(=O)[C@H](C)NC(=O)CNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)Cc2ccccc2)cc1,CHEMBL436878,5.52
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)ccc(=O)n3c2CN(CC(=O)NCC(=O)NCC#Cc2ccccc2C#CCNC(=O)CNC(=O)CN(Cc2ccccc2)Cc2c(-c3ccc(NC(=O)NCC)cc3)nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n23)Cc2ccccc2)cc1,CHEMBL258970,6.0
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC(C(=O)NCC#Cc3ccccc3)CC2)Cc2ccccc2)cc1,CHEMBL415279,6.85
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N2CCC[C@H]2C(=O)NCC#Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL260647,6.59
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCCCC(=O)NCC#Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL262334,6.42
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCCCC(=O)NCC#Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL261649,6.24
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@H](C(=O)NCC#Cc2ccccc2)C(C)C)Cc2ccccc2)cc1,CHEMBL439076,6.11
+CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL259220,5.8
+CC[C@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,CHEMBL401807,8.13
+CC[C@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,CHEMBL257599,7.7
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](C)NC3CCCC3)c2=O)c1F,CHEMBL403081,7.48
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NC3CCCC3)c2=O)c1F,CHEMBL255242,7.17
+CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,CHEMBL404180,8.43
+CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,CHEMBL401632,8.38
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1F,CHEMBL259906,9.21
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1,CHEMBL259907,8.35
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](CO)NC3CCCC3)c2=O)c1F,CHEMBL407719,8.31
+COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL509075,8.8
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](c3ccccc3)N(C)CCCC(=O)O)c2=O)c1F,CHEMBL503705,8.43
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL510538,8.12
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3Cl)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL502341,8.96
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL502182,9.05
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL506877,8.68
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL501329,7.92
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL509440,7.15
+COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL510285,8.38
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL468551,9.3
+Cc1c(-c2cccc(OCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL452474,8.0
+Cc1c(-c2cccc(OCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL449373,8.33
+Cc1c(-c2cccc(OCCCC(=O)O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL448253,8.12
+Cc1c(-c2cccc(OCCCCCC(=O)O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL453441,8.82
+Cc1c(-c2cccc(OCCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL454774,8.96
+Cc1c(-c2cccc(OCCCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL505033,8.905
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCNCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL502967,7.57
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCC(C)(C)CC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL447424,7.54
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCOCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL509347,7.42
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCOCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL506338,8.03
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCN(C)CC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL450414,7.46
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCNCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL499442,6.81
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCN(C)CC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL452198,7.01
+Cc1c(-c2cccc(OCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL447592,7.28
+N[C@@H](Cn1c(=O)c(-c2cccc(OCCCCC(=O)O)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL448656,7.47
+Cc1c(-c2cccc(OCCCCC(=O)O)c2F)c(=O)n(C[C@@H](c2ccccc2)N(C)C)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL509267,7.82
+CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL451916,8.92
+Cc1c(-c2cccc(OCCCCC(=O)O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F,CHEMBL449468,8.39
+N[C@@H](Cn1c(=O)c(-c2cccc(OCCCCCC(=O)O)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL444989,7.48
+COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL455769,7.49
+N[C@@H](Cn1c(=O)c(-c2ccc(CNCC(=O)O)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL499849,5.41
+CCOC(=O)CNCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1,CHEMBL503624,6.96
+CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](NCCCC(=O)O)c2ccccc2)c1=O,CHEMBL508020,8.44
+O=C(O)CCCN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2F)c1=O)c1ccccc1,CHEMBL526887,7.38
+O=C(O)CCCN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL450471,8.485
+COc1cccc(-c2cn(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL453167,8.47
+COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,CHEMBL526327,7.66
+COC(=O)CCCN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL445691,7.18
+N[C@@H](Cn1c(=O)c(-c2ccc(CSCC(=O)O)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL499589,5.43
+NCC(=O)OCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1,CHEMBL499307,7.11
+N[C@@H](Cn1c(=O)c(-c2ccc(COC(=O)CO)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL499026,8.0
+N[C@@H](Cn1c(=O)c(-c2ccc(COC(=O)C3CC3)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL508435,8.48
+NCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1,CHEMBL497747,5.96
+N[C@@H](Cn1c(=O)c(-c2ccc(CO)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,CHEMBL495882,7.16
+COc1cccc(-c2c(F)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1,CHEMBL468546,7.47
+C=C1C(Cl)=CC=C1c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O,CHEMBL466531,7.85
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL466731,9.7
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3S(C)=O)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL466730,8.36
+N[C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1F)CO2)c1ccccc1,CHEMBL494621,6.64
+N[C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CS2)c1ccccc1,CHEMBL513126,6.96
+COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)C(c2ccccc2F)CS3)c1Cl,CHEMBL513346,8.35
+COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)C(c2ccccc2F)CS3)c1F,CHEMBL468552,7.4
+N[C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1F)CS2)c1ccccc1,CHEMBL523709,6.66
+COc1cccc(-n2c(=O)c(Cc3c(F)cccc3F)nn(C[C@H](N)c3ccccc3)c2=O)c1,CHEMBL494968,6.96
+COc1cccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl,CHEMBL539167,8.64
+COc1cccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,CHEMBL466736,7.89
+N[C@@H](Cn1c(=O)c(Cc2c(F)cccc2F)nn(-c2ccccc2F)c1=O)c1ccccc1,CHEMBL466541,6.24
+COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(C)(N)c3ccccc3)c2=O)c1F,CHEMBL493794,7.64
+COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1,CHEMBL494803,8.22
diff --git a/chembl_200/CHEMBL1862.csv b/chembl_200/CHEMBL1862.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3739dedce84e106dd534cb8505db378b5639e4c8
--- /dev/null
+++ b/chembl_200/CHEMBL1862.csv
@@ -0,0 +1,856 @@
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,7.5
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.8
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,6.4
+Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,CHEMBL207471,6.3
+Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C,CHEMBL206575,5.3
+O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1,CHEMBL207360,6.0
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2,CHEMBL379308,5.6
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1,CHEMBL378175,4.7
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(I)cc1,CHEMBL210766,6.1
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1,CHEMBL209617,6.22
+O=C(Nc1ccccc1)Nc1nnc(Cc2ccccc2)s1,CHEMBL438610,4.24
+COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1,CHEMBL376993,5.7
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1I,CHEMBL207986,5.89
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(I)cc1,CHEMBL206046,6.4
+Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1,CHEMBL436137,7.96
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL230686,7.707000000000001
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL248044,6.02
+N#Cc1cnc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL399438,6.52
+N#Cc1cnc2ccc(-c3ccc(CN)cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL245800,6.11
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1,CHEMBL248393,7.36
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCOCC1,CHEMBL248392,6.7
+COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL401251,6.41
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCc1cccnc1,CHEMBL248391,6.52
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1,CHEMBL248222,5.74
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1,CHEMBL248221,5.74
+Cc1cc(-c2c(O)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL231220,8.3
+Cc1cc(-c2cc(N)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL231524,7.8
+Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL251015,7.62
+Cc1cc(-c2cc(O)ccc2Br)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL398279,9.0
+Cc1cc(-c2c(F)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL440963,8.47
+Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL250821,8.89
+Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL400303,7.57
+CCN(CC)CCN1CCC(S(=O)(=O)c2ccc(Nc3nnc4cc(-c5cc(O)ccc5Cl)cc(C)c4n3)cc2)CC1,CHEMBL398845,8.46
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12,CHEMBL250625,8.46
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12,CHEMBL399268,8.77
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12,CHEMBL250623,8.36
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12,CHEMBL250423,8.29
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(CCN4CCCC4)C(C)C)cc3)nc12,CHEMBL250218,8.54
+CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1,CHEMBL250021,9.4
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12,CHEMBL250019,9.52
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12,CHEMBL249821,8.52
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL249820,8.11
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12,CHEMBL249819,8.38
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc12,CHEMBL399246,9.3
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc12,CHEMBL250214,8.77
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)NCCN4CCCC4)cc3)nc12,CHEMBL400403,8.59
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12,CHEMBL250213,10.21
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL400402,8.89
+Cc1cc(-c2ccccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL268825,7.38
+COc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1,CHEMBL270452,5.9
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1Cl,CHEMBL270454,6.04
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccccc1Cl,CHEMBL408291,6.12
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1Cl,CHEMBL271010,6.39
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1,CHEMBL271009,6.4
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc(F)cc1,CHEMBL271008,6.43
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1Cl,CHEMBL402288,6.57
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1Cl,CHEMBL255164,6.65
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1,CHEMBL255368,6.66
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1,CHEMBL255165,6.68
+COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1,CHEMBL402891,6.71
+COc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1,CHEMBL272947,6.72
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(F)cc1,CHEMBL272288,6.78
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(Cl)cc1,CHEMBL255225,6.98
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1,CHEMBL402568,7.04
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(F)cc1,CHEMBL255324,7.05
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl,CHEMBL255522,7.08
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc(Cl)cc1,CHEMBL272999,7.14
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1,CHEMBL409082,7.15
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(Cl)cc1,CHEMBL403731,7.33
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4cccc(Cl)c4)ncnc32)cc1,CHEMBL429600,6.92
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1,CHEMBL270492,7.7
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4cccc(F)c4)ncnc32)cc1,CHEMBL261827,7.0
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(F)cc2)cc1,CHEMBL270286,6.7
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccc4)ncnc32)cc1,CHEMBL410931,6.36
+Fc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL270958,6.14
+Fc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL412298,7.4
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL272169,5.7
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccc4Cl)ncnc32)cc1,CHEMBL273090,6.7
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Cl)cc2)cc1,CHEMBL406658,7.1
+Clc1ccc(C(Cl)Cn2ncc3c(NCc4cccc(Cl)c4)ncnc32)cc1,CHEMBL408966,7.1
+ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1,CHEMBL411043,6.41
+Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL298445,6.8
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,6.8
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12,CHEMBL256101,8.69
+O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1,CHEMBL504598,7.05
+O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1,CHEMBL477342,6.56
+O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1,CHEMBL478825,6.44
+COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2,CHEMBL477139,7.17
+Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1,CHEMBL476513,6.6
+COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1,CHEMBL476304,7.8
+O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cccs1,CHEMBL476303,5.46
+O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccs1,CHEMBL517822,7.3
+O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1cccs1,CHEMBL477555,6.07
+O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccs1,CHEMBL477343,6.87
+Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1,CHEMBL517047,7.23
+O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cccs1,CHEMBL476515,6.1
+O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccs1,CHEMBL476514,5.78
+O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccs1,CHEMBL477344,6.77
+O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1,CHEMBL517204,6.61
+O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1,CHEMBL518430,7.01
+O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccs1,CHEMBL477554,6.2
+O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1,CHEMBL478181,6.89
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,7.567
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.6
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL289125,5.143
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL288280,6.572
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL312214,5.32
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL40798,5.92
+CCOCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL291273,5.82
+CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL83847,6.4
+CSc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL401238,6.4
+CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL238559,6.4
+CSc1nc(NCCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL453358,6.4
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,CHEMBL443929,6.24
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,CHEMBL454119,6.96
+CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL475739,6.01
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL475740,6.66
+CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL514140,6.47
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL473102,6.7
+CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL516070,6.66
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL475336,6.4
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL475337,6.41
+CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL515135,6.52
+CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL515885,6.3
+CCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL454120,6.48
+CCCNc1nc(SCCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL510861,6.6
+CCCCNc1nc(SCCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL454922,6.28
+CCCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL508986,6.55
+CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL454923,7.0
+CCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL454144,6.06
+CCCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL508027,6.49
+CCOCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL455163,6.26
+CSc1nc(N2CCCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL507594,5.85
+CSc1nc(N2CCCCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL455164,6.06
+CSc1nc(N2CCOCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473103,6.01
+CSc1nc(NCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473516,6.72
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473517,6.57
+CCCNc1nc(N(C)C)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL473727,6.49
+CN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL473923,6.55
+CN(C)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL473726,6.8
+CC(C)(C)N1CN(c2ccc(Cl)cc2)C(=N)C2C=NN=C21,CHEMBL404666,6.28
+CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL428029,7.4
+CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL401447,6.82
+CSc1nc(NCCc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235758,6.7
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL238561,7.22
+CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL564746,6.46
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL399627,6.82
+CSc1nc(NCCc2ccc(C)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL415264,6.43
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL400211,6.22
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL238304,6.96
+CSc1nc(NCCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235757,6.49
+CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL241539,6.49
+CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL391724,7.1
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL241750,6.6
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL241540,7.0
+COc1ccc(CNc2nc(SC)nc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL551542,6.52
+CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL236375,7.05
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL241749,6.96
+CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL392301,6.89
+CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235756,6.64
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,7.6
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.0
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.5
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.4
+Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(N)c3)nc21,CHEMBL577269,10.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.1
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,7.0
+Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccc(N)c3)nc21,CHEMBL1223343,8.1
+Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NCc3cccc(N)c3)nc21,CHEMBL1223344,7.22
+Cn1c(=O)c(-c2ccccc2)cc2cnc(NCc3cccc(N)c3)nc21,CHEMBL1223410,5.7
+Cn1c(=O)c(-c2c(F)cccc2F)cc2cnc(NCc3cccc(N)c3)nc21,CHEMBL1223411,7.4
+Cn1c(=O)c(-c2ccccc2Br)cc2cnc(NCc3cccc(N)c3)nc21,CHEMBL1223412,7.4
+CSc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1,CHEMBL1223413,7.15
+CCCCCCNc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1,CHEMBL1223481,6.05
+Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccc(NC(=O)CN)c3)nc21,CHEMBL1223482,7.7
+Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccc(C(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)nc21,CHEMBL1223483,7.7
+CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1,CHEMBL386051,9.7
+Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(NC(=O)CN)c3)nc21,CHEMBL1221411,10.7
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,7.8
+CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21,CHEMBL1242754,5.8
+Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL1775041,6.41
+CCCNc1nc(SCCN2CCOCC2)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL1775040,6.47
+ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL1775039,7.05
+Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL1775038,6.24
+ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL1775037,6.57
+Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL1775036,6.86
+ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL1775035,6.767
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1,CHEMBL1775047,5.8
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1,CHEMBL1773092,5.68
+Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1,CHEMBL1775046,6.18
+Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1,CHEMBL1775045,5.92
+CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL1775043,5.7
+CCCNc1nc(S(C)(=O)=O)nc2c1cnn2/C=C\c1ccccc1,CHEMBL1775044,6.14
+OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C\c3ccccc3)c2n1,CHEMBL1775042,6.66
+CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836675,6.0
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836676,5.73
+CSc1nc(NCc2ccccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836677,6.11
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836680,5.97
+Fc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1,CHEMBL1836681,5.31
+CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL1629808,7.19
+Clc1cccc(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL238774,6.62
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,7.0
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,6.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.0
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,8.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.6
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.2
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,6.7
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.2
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.4
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.2
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,8.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.1
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.7
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.5
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.7
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,7.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.3
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.2
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.6
+N#Cc1cnc2c(Br)cnn2c1N,CHEMBL1991095,4.1
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,9.6
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.2
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,9.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,7.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,6.3
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.7
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.6
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.8
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.9
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,8.6
+CC(=O)Nc1cc2ccccn2n1,CHEMBL1976872,4.2
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.6
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.2
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,7.3
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,8.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,5.9
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.4
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,9.2
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.0
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,8.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,8.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,9.3
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.1
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.1
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.7
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.8
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.0
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,8.6
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.6
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,7.6
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.4
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,6.5
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.6
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.4
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.0
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.6
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.3
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.3
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,7.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,6.3
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,9.3
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.6
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.0
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,6.7
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,7.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.6
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.4
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,5.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.8
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.6
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,5.7
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.7
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.9
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.4
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.5
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.0
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.8
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.7
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.8
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.4
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.7
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.8
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.0
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.8
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.5
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.2
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,7.8
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.6
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.3
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.3
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.6
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,6.5
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.9
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.3
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.3
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.1
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,5.9
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,7.9
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.6
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.0
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,5.4
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.7
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.4
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,6.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.6
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.3
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.0
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,8.8
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.8
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.8
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.7
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,6.1
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.7
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,7.0
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+Clc1cc2nnc(-c3ccccc3)n2cn1,CHEMBL1998228,4.2
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.6
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.6
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.1
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.8
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.8
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.3
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,5.8
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,6.2
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.3
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.4
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.7
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.7
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,8.5
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,7.1
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.2
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,7.4
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,7.1
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,7.1
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.3
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,7.3
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.8
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,6.1
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,8.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,8.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,6.3
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.3
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,7.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,8.6
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.4
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,6.7
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.0
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.2
+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,5.6
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,8.6
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,5.6
+CC(C)Nc1nccc(Nc2ncc(-c3ccccc3)s2)n1,CHEMBL2002432,7.1
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.1
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.3
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,8.0
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.7
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.9
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.1
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.7
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,7.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.5
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,6.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,8.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.6
+CN(C)c1c(NC(=O)c2c(F)cccc2F)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1992473,6.3
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.8
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.9
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.3
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,8.4
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.8
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.1
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21,CHEMBL404366,6.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.5
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.7
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,8.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.6
+CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21,CHEMBL1241489,7.16
+COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1,CHEMBL1785020,6.12
+CCOc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1,CHEMBL1785021,5.8
+CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc21,CHEMBL2030556,6.55
+COc1ccc(-c2nn(CC3CCNCC3)c3ncnc(N)c23)cc1C,CHEMBL2030558,5.26
+COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,CHEMBL685,5.34
+Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,CHEMBL2030560,5.0
+C[C@@H](O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2022856,9.1
+C(=C\n1ncc2c(NCCc3ccccc3)ncnc21)\c1ccccc1,CHEMBL203493,5.01
+ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(I)cc1,CHEMBL2397818,7.3
+Cc1ccc(C(Cl)Cn2ncc3c(Nc4ccccc4)ncnc32)cc1,CHEMBL2397817,7.22
+FC(F)(F)c1cc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc(C(F)(F)F)c1,CHEMBL2397816,5.74
+COc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397815,5.32
+ClC(Cn1ncc2c(NCc3cccc(Br)c3)ncnc21)c1ccc(Br)cc1,CHEMBL2397814,5.9
+ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397812,5.52
+Fc1ccc(F)c(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397810,5.57
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1,CHEMBL2397809,5.6
+Clc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1Cl,CHEMBL2397808,5.96
+Clc1ccc(Cl)c(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397807,5.48
+Clc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1,CHEMBL2397806,6.85
+Clc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccc(Br)cc1,CHEMBL2397805,8.3
+Clc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397804,7.68
+ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397803,5.88
+ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397802,6.21
+ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccccc1,CHEMBL2397801,6.05
+Fc1cccc(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL2397800,5.84
+ClC(Cn1ncc2c(Nc3cccc(Br)c3)ncnc21)c1ccccc1,CHEMBL2397799,6.59
+Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(Br)c4)ncnc32)cc1,CHEMBL2397798,6.18
+Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1,CHEMBL2397797,6.74
+Fc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397796,7.26
+CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL41910,6.49
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCC(=O)NO)c1,CHEMBL2408778,5.63
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,6.92
+Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CCc2ccccc2)c1,CHEMBL3393986,6.89
+CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394082,6.37
+CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394083,6.82
+CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3393071,6.92
+Oc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL3394091,6.82
+ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394092,6.92
+CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617732,6.01
+O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617738,6.14
+C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1)c1ccco1,CHEMBL3617740,5.92
+O=C(Nc1cc2ccc(N3CCCCC3)cc2cn1)C1CC1,CHEMBL3684995,8.22
+Clc1ccccc1-c1ccc2cc(Nc3ncccn3)ncc2c1,CHEMBL3684996,6.86
+Clc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1,CHEMBL3684997,8.15
+CSCNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1,CHEMBL3684998,7.14
+CNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1,CHEMBL3684999,6.38
+COc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685000,8.7
+Cc1ccc(F)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3685001,6.36
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCC3)ncc2c1,CHEMBL3685002,9.0
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCC3)ncc2c1,CHEMBL3685003,7.92
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCCC3)ncc2c1,CHEMBL3685004,7.41
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3)ncc2c1,CHEMBL3685005,7.39
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccc(F)cc3)ncc2c1,CHEMBL3685006,7.59
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(F)CC3)ncc2c1,CHEMBL3685007,7.82
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(C)CC3)ncc2c1,CHEMBL3685008,7.3
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1,CHEMBL3685009,9.76
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3(F)F)ncc2c1,CHEMBL3685010,9.4
+Cc1cnc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685011,8.52
+Nc1ccc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3685012,9.0
+N#Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685013,9.0
+N#Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685014,9.05
+Cc1c(Cl)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685015,9.0
+Cc1cc(F)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685016,9.52
+Cc1cc(Cl)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685017,9.0
+COc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685018,9.22
+CC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685019,9.4
+Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685020,10.52
+Cn1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3685021,8.52
+Cc1n[nH]c(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685022,8.52
+O=C(Nc1cc2ccc(-c3cc(O)ccc3Cl)cc2cn1)C1CC1,CHEMBL3685023,10.4
+Cc1cc(F)c(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685024,9.3
+Cc1ccc(F)cc1-c1ccc2cc(NC3=NC(C)(C)CO3)ncc2c1,CHEMBL3685025,6.67
+O=C(Nc1cc2ccc(N3CCCC3)cc2cn1)C1CC1,CHEMBL3685026,7.77
+O=C(Nc1cc2ccc(C3CCCCC3)cc2cn1)C1CC1,CHEMBL3685027,8.7
+CN1CCN(c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1,CHEMBL3685028,6.39
+O=C(Nc1cc2ccc(C3CCCC3)cc2cn1)C1CC1,CHEMBL3685029,8.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1,CHEMBL3685030,8.52
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1,CHEMBL3685031,9.0
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccncc3)ncc2c1,CHEMBL3685032,8.15
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3F)ncc2c1,CHEMBL3685033,7.07
+COc1ccc(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)cc1,CHEMBL3685034,7.28
+Cc1cccnc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685035,10.0
+Cc1ncccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685036,9.0
+O=C(Nc1cc2ccc(-c3ccc4[nH]ccc4c3)cc2cn1)C1CC1,CHEMBL3685037,9.0
+O=C(Nc1cc2ccc(N3CCC(O)CC3)cc2cn1)C1CC1,CHEMBL3685038,8.52
+O=C(Nc1cc2ccc(N3CCNCC3)cc2cn1)C1CC1,CHEMBL3685039,6.62
+Cn1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cccc1=O,CHEMBL3685040,7.8
+CC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685041,9.52
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC(F)(F)F)ncc2c1,CHEMBL3685042,8.52
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(C)(C)C)ncc2c1,CHEMBL3685043,8.7
+COCC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685044,9.52
+Cc1ccc(C#N)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685045,9.7
+COc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685046,8.52
+O=C(Nc1cc2ccc(-c3ccccn3)cc2cn1)C1CC1,CHEMBL3685047,8.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3685048,10.025
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1,CHEMBL3685049,10.025
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CN(C)C)ncc2c1,CHEMBL3685050,9.0
+CCn1nccc1C(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685051,7.47
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3cccc(F)c3)ncc2c1,CHEMBL3639839,7.24
+COc1ccccc1C(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685052,6.88
+COc1cccc(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)c1,CHEMBL3685053,6.44
+O=C(Nc1cc2ccc(-c3cccc4[nH]ccc34)cc2cn1)C1CC1,CHEMBL3685054,9.52
+N#Cc1cc(F)c(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685055,10.15
+Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685056,10.7
+CCC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685057,9.3
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(C)C)ncc2c1,CHEMBL3685058,8.05
+O=C(Nc1cc2ccc(-c3cncnc3)cc2cn1)C1CC1,CHEMBL3685059,8.4
+Cc1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3685060,9.15
+Cc1nc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cs1,CHEMBL3685061,7.89
+O=C(Nc1cc2ccc(-c3cc[nH]n3)cc2cn1)C1CC1,CHEMBL3685062,9.3
+Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685063,9.15
+Cn1ccc(=O)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685064,7.38
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(F)(F)F)ncc2c1,CHEMBL3685065,7.48
+N#Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685066,9.7
+N#Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685067,9.05
+N#Cc1cc(F)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685068,10.22
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(F)F)ncc2c1,CHEMBL3685069,9.0
+Cc1ccc(F)cc1-c1ccc2cc(NS(C)(=O)=O)ncc2c1,CHEMBL3685070,7.57
+Cc1ccc(F)cc1-c1ccc2cc(NS(=O)(=O)C3CC3)ncc2c1,CHEMBL3685071,7.38
+CNC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685072,10.0
+O=C(Nc1cc2ccc(Nc3ccccc3)cc2cn1)C1CC1,CHEMBL3685073,9.0
+Cc1ncncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685074,9.3
+COc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685075,9.22
+Cc1ccc(C(F)(F)F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685076,7.7
+Cc1ccc(N(C)C)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685077,9.0
+Cc1cnccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685078,8.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)N(C)C)ncc2c1,CHEMBL3685079,8.52
+Cc1ccnc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685080,9.52
+Cc1ncnc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685081,8.7
+O=C(Nc1cc2ccc(OC3CCCCC3)cc2cn1)C1CC1,CHEMBL3685082,7.57
+O=C(Nc1cc2ccc(Sc3ccccc3)cc2cn1)C1CC1,CHEMBL3685083,7.89
+Cn1nccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685084,8.7
+O=C(Nc1cc2ccc(-c3cncc(F)c3)cc2cn1)C1CC1,CHEMBL3685085,9.3
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1,CHEMBL3685086,7.38
+O=C(Nc1cc2ccc(-c3ccc[nH]3)cc2cn1)C1CC1,CHEMBL3685087,9.15
+N#Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685088,9.7
+Cc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685089,10.52
+Cc1ccc(F)cc1-c1ccc2cc(NC(C)C(F)(F)F)ncc2c1,CHEMBL3685090,7.38
+Cc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1,CHEMBL3685091,7.38
+CC(C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685092,9.1
+O=C(Nc1cc2ccc(OC(F)F)cc2cn1)C1CC1,CHEMBL3685093,8.4
+Cc1ccc(F)cc1-c1ccc2c(Cl)c(N)ncc2c1,CHEMBL3685094,7.82
+Cc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685095,10.52
+Cc1ccc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685096,10.52
+O=C(Nc1cc2ccc(-c3ccc(F)c(O)c3)cc2cn1)C1CC1,CHEMBL3685097,10.05
+Cc1ccc(C(N)=O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685098,9.05
+CCNC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685099,9.7
+Cc1ccc(F)cc1-c1ccc2c(Cl)c(NC(=O)C3CC3)ncc2c1,CHEMBL3685100,8.7
+Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1,CHEMBL3685101,10.7
+Cc1c[nH]nc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685102,10.0
+Cc1ccc(F)cc1-c1ccc2c(Br)c(NC(=O)C3CC3)ncc2c1,CHEMBL3685103,9.05
+O=C(Nc1cc2ccc(Oc3ccccc3)cc2cn1)C1CC1,CHEMBL3685104,8.52
+O=C(Nc1cc2ccc(Oc3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3685105,8.3
+O=C(Nc1cc2ccc(Oc3cccc(F)c3)cc2cn1)C1CC1,CHEMBL3685106,8.3
+O=C(Nc1cc2ccc(Oc3cccc(Cl)c3)cc2cn1)C1CC1,CHEMBL3685107,8.1
+O=C(Nc1cc2ccc(Oc3ccc(F)cc3)cc2cn1)C1CC1,CHEMBL3685108,7.7
+O=C(Nc1cc2ccc(Oc3cccnc3)cc2cn1)C1CC1,CHEMBL3685109,8.22
+COCCNC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1,CHEMBL3685110,9.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCNCC3)ncc2c1,CHEMBL3685111,8.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)C3)ncc2c1,CHEMBL3685112,8.52
+CCN1CCC(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)CC1,CHEMBL3685113,8.7
+Cc1ccncc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1,CHEMBL3685114,8.7
+Cc1ccc(F)cc1-c1ccc2c(F)c(NC(=O)C3CC3)ncc2c1,CHEMBL3685115,9.15
+CCNC(=O)Nc1ncc2cc(-c3cc(F)ccc3C)ccc2c1Cl,CHEMBL3685116,7.43
+CCNC(=O)Nc1ncc2cc(-c3cc(F)ccc3C)ccc2c1F,CHEMBL3685117,8.4
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC3CC3)ncc2c1,CHEMBL3685118,9.05
+Cc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1,CHEMBL3685119,9.22
+O=C(Nc1cc2ccc(-c3cnccn3)cc2cn1)C1CC1,CHEMBL3685120,7.74
+Cc1cnc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3685121,7.38
+O=C(Nc1cc2ccc(Oc3cncnc3)cc2cn1)C1CC1,CHEMBL3685122,7.38
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC(C)C)ncc2c1,CHEMBL3685123,9.0
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC3COC3)ncc2c1,CHEMBL3685124,9.7
+Cc1ccc(F)cc1-c1ccc2cc(Nc3cccc(=O)[nH]3)ncc2c1,CHEMBL3685125,7.68
+Cc1ncc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cc1F,CHEMBL3685126,8.4
+Cc1ccc(C(C)(C)O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685127,7.66
+COc1cccc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1,CHEMBL3685128,8.4
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)N3CCN(C)CC3)ncc2c1,CHEMBL3685129,8.4
+Cc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685130,8.7
+Cc1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)ccn1,CHEMBL3685131,7.38
+Cn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1,CHEMBL3685132,8.15
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC3CCOCC3)ncc2c1,CHEMBL3685133,9.22
+O=C(Nc1cc2ccc(-c3cccc4n[nH]cc34)cc2cn1)C1CC1,CHEMBL3685134,10.4
+O=C(Nc1cc2ccc(-c3ccc4c[nH]nc4c3)cc2cn1)C1CC1,CHEMBL3685135,7.96
+O=C(Nc1cc2ccc(-c3ccnnc3)cc2cn1)C1CC1,CHEMBL3685136,7.47
+Cc1nccnc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685137,9.0
+CC(C)Nc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685138,9.15
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685139,9.52
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685140,9.15
+CC(C)COc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685141,7.92
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)OC(C)C)ncc2c1,CHEMBL3685142,8.3
+Nc1cncc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685143,8.4
+Nc1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)ccn1,CHEMBL3685144,8.15
+CC(C)=Cc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685145,8.52
+Cc1cc(Cl)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685146,10.0
+O=C(Nc1cc2ccc(-c3cnccc3Cl)cc2cn1)C1CC1,CHEMBL3685147,10.15
+CC(C)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685148,9.0
+Cn1ncc2c(-c3ccc4cc(NC(=O)C5CC5)ncc4c3)cccc21,CHEMBL3685149,8.05
+O=C1Cc2c(cccc2-c2ccc3cc(NC(=O)C4CC4)ncc3c2)N1,CHEMBL3685150,9.22
+Cc1c(F)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3639840,10.7
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3c3ccccc3)ncc2c1,CHEMBL3685151,8.15
+Cc1cc(CO)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1,CHEMBL3685152,8.3
+Cc1cc(C(C)(C)O)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1,CHEMBL3685153,8.3
+Cc1cc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685154,9.05
+Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1,CHEMBL3685155,10.0
+Cc1ncc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685156,8.52
+COc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685157,7.52
+C[C@@H](CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685158,8.7
+CC(C)(CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685159,7.96
+Cc1ccc(C(C)O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685160,9.0
+O=C(Nc1cc2ccc(-c3cccc(CO)c3)cc2cn1)C1CC1,CHEMBL3685161,8.7
+O=C(Nc1cc2ccc(-c3cc(CO)ccc3Cl)cc2cn1)C1CC1,CHEMBL3685162,9.7
+O=C(Nc1cc2ccc(-c3cc(CO)ccc3F)cc2cn1)C1CC1,CHEMBL3685163,9.1
+CCOc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685164,8.15
+O=C(Nc1cc2ccc(OCCO)cc2cn1)C1CC1,CHEMBL3685165,8.22
+CC(CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685166,9.1
+C[C@H](CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685167,7.96
+COC[C@H](C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685168,8.1
+Cc1ccc(NC(=O)c2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685171,9.0
+O=C(Nc1cc2ccc(-c3cccnc3CO)cc2cn1)C1CC1,CHEMBL3685172,10.0
+Cc1cc(C(=O)Nc2ccc(C)c(-c3ccc4cc(NC(=O)C5CC5)ncc4c3)c2)ccn1,CHEMBL3685173,9.1
+Cc1ccc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685174,9.7
+Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685175,8.7
+Cc1ccc(NC(=O)C2CCN(C)CC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685176,8.15
+Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685177,10.0
+Cc1c(N)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685178,10.05
+Cc1c(O)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685179,10.4
+Cc1cc(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685180,10.7
+Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685181,10.15
+O=C(Nc1cc2ccc(N3CCC(O)C3)cc2cn1)C1CC1,CHEMBL3685182,9.0
+NCc1cccc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3685183,7.39
+Cc1c(CO)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685184,9.7
+CC(C)(C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685185,7.89
+Cc1ccc(NC(=O)c2ccc(C(C)N(C)C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685186,9.52
+Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1,CHEMBL3685187,9.7
+COC[C@@H](C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685188,7.57
+C[C@H](CCO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685189,7.64
+O=C(Nc1cc2ccc(OC3CCC3)cc2cn1)C1CC1,CHEMBL3685190,8.15
+O=C(Nc1cc2ccc(-c3cnccc3CO)cc2cn1)C1CC1,CHEMBL3685191,9.4
+C[C@@H](CCO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685194,8.7
+O=C(Nc1ccc(Cl)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1)C1CCOCC1,CHEMBL3685195,8.7
+O=C(Nc1ccc(F)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1)C1CCOCC1,CHEMBL3685196,7.57
+Cc1ccccc1-c1ccc2cnc(NC(=O)C3CC3)cc2c1,CHEMBL3685197,8.4
+Cc1ccc(NC(=O)[C@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685198,9.22
+Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3685199,9.4
+CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1,CHEMBL3689538,9.3
+CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1,CHEMBL3689539,9.4
+Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689540,9.52
+C[C@H](CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689541,9.15
+C[C@@H](CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689542,9.15
+Cc1ccc(NC(=O)C2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689543,9.16
+Cc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689544,10.0
+CNC(=O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3689545,8.0
+Cc1ccc(NC(=O)N2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689546,9.4
+Cc1ccc(NC(=O)C2CN(C)CCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689547,9.7
+Cc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689548,10.05
+Cc1ccc(NC(=O)N2CCOC(CO)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689549,9.3
+CC(C)Sc1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689550,9.0
+CC(C)S(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689551,9.0
+CC(C)S(=O)(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689552,9.0
+O=C(Nc1cc2ccc(-c3cnccc3C(F)(F)F)cc2cn1)C1CC1,CHEMBL3689553,9.52
+Cc1c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cnc(CO)c1F,CHEMBL3689554,10.7
+COc1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1,CHEMBL3689555,8.7
+Cc1ccc(NC(=O)c2ccc(C3CCCN3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689558,9.52
+Cc1ccc(NC(=O)c2ccc(C3CCN(C)C3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689559,9.15
+Cc1nc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689560,8.7
+Cc1c(NC(=O)C2CCOCC2)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689561,7.38
+Cc1ccncc1-c1ccc2cc(N)ncc2c1,CHEMBL3689562,7.44
+Cc1ncc(N)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689566,8.4
+Cc1cc([C@@H](C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689567,10.175
+Cc1cc([C@H](C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689568,10.175
+Cc1ncc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689572,8.05
+O=C(Nc1cc2ccc(NCCO)cc2cn1)C1CC1,CHEMBL3689573,7.77
+Cc1ccc2n[nH]cc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689574,10.52
+Cc1ncc2n[nH]cc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689575,10.4
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3689576,9.4
+Cc1ccncc1-c1ccc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c1,CHEMBL3689577,10.22
+Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689578,10.3
+Cc1ccncc1-c1ccc2cc(NC(=O)C3C4COCC43)ncc2c1,CHEMBL3689579,9.4
+Cc1cnc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689580,8.7
+Cc1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c(C)cn1,CHEMBL3689581,7.7
+Cc1ccc(C(=O)NC2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689582,9.1
+O=C(Nc1cc2ccc(-c3cncc4n[nH]cc34)cc2cn1)C1CC1,CHEMBL3689583,9.0
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3c3ccc(CN(C)C)cc3)ncc2c1,CHEMBL3689584,9.7
+COCC(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689585,8.7
+CO[C@H](C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689586,8.4
+CO[C@@H](C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689587,8.7
+O=C(Nc1cc2ccc(-c3cccc4[nH]cnc34)cc2cn1)C1CC1,CHEMBL3689589,9.0
+COC(C)(C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689590,8.52
+Cc1ccc(C(=O)NC2COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689591,9.0
+Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689592,9.7
+CCS(=O)(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689593,8.52
+Cc1ccc(NC(=O)C2(O)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689594,9.52
+Cc1ccc(F)cc1-c1ccc2cc(C(=O)NC3CC3)ncc2c1,CHEMBL3689595,7.38
+COc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689598,8.7
+Cc1ccc(NS(=O)(=O)C2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689599,8.0
+Cc1ccc(NC(=O)N2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689600,9.52
+Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689601,8.7
+Cc1ccc(NC(=O)N2CCC[C@@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689602,9.7
+Cc1ccc(NC(=O)N2CCC[C@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689603,9.7
+Cc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689604,9.4
+Cc1ccc(NC(=O)N2CC[C@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689605,9.22
+Cc1cnc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3639884,8.4
+Cc1ncc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689606,10.0
+Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1,CHEMBL3689608,10.335
+Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689609,10.335
+Cc1ccc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689610,9.52
+Cc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689611,9.0
+Cc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689612,9.3
+COCCNC(=O)c1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1,CHEMBL3689614,9.0
+Cc1ccc(C(=O)NC(C)(C)CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689615,7.96
+Cc1ccc(C(=O)Nc2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689616,9.22
+Cc1ccc(C(=O)N2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689617,7.4
+Cc1cncc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689618,9.0
+Cc1ccncc1-c1ccc2c(C#N)c(N)ncc2c1,CHEMBL3689619,8.3
+Cc1ccncc1-c1ccc2c(C#N)c(NC(=O)C3CC3)ncc2c1,CHEMBL3689620,9.15
+Cc1cc(C(=O)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689621,8.52
+Cc1ccc(F)cc1-c1ccc2cc(C(=O)NC3CCC3)ncc2c1,CHEMBL3689622,7.38
+Cc1c(F)cc(C(=O)NC2COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689623,9.0
+Cc1ccc(C(=O)NC2COC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689624,9.0
+Cc1ccc(C(=O)NC2CCOCC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689625,9.0
+Cc1c(F)cc(NC(=O)C2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689626,8.7
+Cc1cc(C(C)(C)O)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689627,8.15
+Cc1ccc(NC(=O)C2CCC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689628,9.7
+Cc1ccc(C(=O)NC2(C)COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689629,8.7
+Cc1ccc(C(=O)NC2(C)COC2)cc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689630,8.0
+Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689631,10.7
+Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689632,10.0
+CNC(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1,CHEMBL3689633,10.0
+O=C(Nc1cc2cnc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1,CHEMBL3689634,9.4
+O=C(Nc1cc2c(Cl)nc(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689635,9.1
+Cc1nc(-c2ccccc2Cl)cc2cnc(NC(=O)C3CC3)cc12,CHEMBL3689636,10.0
+O=C(Nc1cc2cnc(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689637,9.52
+O=C(Nc1cc2cnc(-c3ccccc3Cl)c(=O)c-2c[nH]1)C1CC1,CHEMBL3689638,7.7
+O=C(Nc1cc2c(=O)[nH]c(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689639,8.3
+O=C(Nc1cc2c[n+]([O-])c(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689640,9.1
+COc1nc(-c2ccccc2Cl)cc2cnc(NC(=O)C3CC3)cc12,CHEMBL3689641,8.7
+CCc1nc(-c2ccccc2Cl)cc2cnc(NC(=O)C3CC3)cc12,CHEMBL3689642,9.52
+O=C(Nc1cc2c(C3CC3)nc(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689643,8.7
+O=C(Nc1cc2cnc(C3CCCCC3)cc2cn1)C1CC1,CHEMBL3689644,8.7
+Cc1ccncc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1,CHEMBL3689645,9.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1,CHEMBL3689646,10.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)[n+]1[O-],CHEMBL3689647,9.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-],CHEMBL3689648,9.4
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)n1,CHEMBL3689649,10.1
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C#N)n1,CHEMBL3689650,9.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCCCC2)n1,CHEMBL3689651,8.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCCC2)n1,CHEMBL3689652,8.4
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1,CHEMBL3689653,9.7
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1,CHEMBL3689654,7.92
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cccnc2)n1,CHEMBL3689655,9.7
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Nc2ccccc2)n1,CHEMBL3689656,7.96
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(NC2CCCC2)n1,CHEMBL3689657,8.3
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CF)n1,CHEMBL3689658,9.7
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccnn2C)n1,CHEMBL3689659,9.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(S(C)(=O)=O)n1,CHEMBL3689660,9.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccccc2)n1,CHEMBL3689661,9.4
+Cc1nc(C)c(-c2nc(-c3cc(F)ccc3C)cc3cnc(NC(=O)C4CC4)cc23)s1,CHEMBL3689662,9.52
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnccc2C)n1,CHEMBL3689663,9.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cc[nH]n2)n1,CHEMBL3689665,9.7
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnn(C)c2)n1,CHEMBL3689666,10.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cn[nH]c2)n1,CHEMBL3689667,10.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(C)(C)O)n1,CHEMBL3689668,9.7
+Cc1c2cc(NC(=O)C3CC3)ncc2cc(-c2ccccc2Cl)[n+]1[O-],CHEMBL3689669,9.0
+Cc1ccc(CO)cc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1,CHEMBL3689670,10.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCNCC2)n1,CHEMBL3689671,9.15
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CN(C)C)n1,CHEMBL3689672,8.0
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCNCC2)n1,CHEMBL3689673,9.0
+CNCc1nc(-c2cc(F)ccc2C)cc2cnc(NC(=O)C3CC3)cc12,CHEMBL3689674,8.3
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCNC2)n1,CHEMBL3689675,8.7
+Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C2CCOC2)n1,CHEMBL3689676,9.4
+Cc1ccncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689677,9.4
+Cc1ccc2n[nH]cc2c1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689678,10.7
+Cc1ccc(C(=O)NC2(C)COC2)cc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689679,7.38
+O=C(Nc1cc2ncc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1,CHEMBL3689680,9.52
+CCc1nc2cc(NC(=O)C3CC3)ncc2cc1-c1ccccc1Cl,CHEMBL3689681,7.96
+O=C(Nc1cc2ccc(-c3c(Cl)cccc3Cl)nc2cn1)C1CC1,CHEMBL3689682,7.82
+OCc1cccc(Nc2cc3ccc(-c4ccccc4Cl)nc3cn2)c1,CHEMBL3689683,6.67
+O=C(Nc1cc2ccc(-c3ccccc3Cl)nc2cn1)C1CC1,CHEMBL3689684,8.52
+Cc1cc2cc(NC(=O)C3CC3)ncc2nc1-c1cc(F)ccc1Cl,CHEMBL3689685,7.77
+Cc1ccc(F)cc1-c1cc(C)c2cc(NC(=O)C3CC3)ncc2n1,CHEMBL3689686,7.72
+Cc1ccc(F)cc1-c1cc(=O)c2cc(NC(=O)C3CC3)ncc2[nH]1,CHEMBL3689687,8.1
+O=C(Nc1cc2ccc(C3(O)CCCCC3)nc2cn1)C1CC1,CHEMBL3689688,7.89
+O=C(Nc1cc2c(=O)cc(-c3ccccc3Cl)[nH]c2cn1)C1CC1,CHEMBL3689689,8.22
+O=C(Nc1cc2ccc(C3(O)CCCC3)nc2cn1)C1CC1,CHEMBL3689690,8.15
+Cc1nc(Cl)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689691,9.1
+Cc1ccncc1-c1ccc2cc(NC(=O)C3CCO3)ncc2c1,CHEMBL3689692,8.715
+O=C(Nc1cc2ccc(Br)cc2cn1)C1CC1,CHEMBL3689693,7.6
+O=C(Nc1cc2ccc(-c3c(F)cc(F)cc3Cl)cc2cn1)C1CC1,CHEMBL3689694,9.63
+O=C(Nc1cc2ccc(-c3c(F)ccc(F)c3Cl)cc2cn1)C1CC1,CHEMBL3689695,9.79
+Cc1cccc(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689696,10.15
+Cc1cccc(Cl)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689697,9.8
+O=C(Nc1cc2ccc(-c3cc(F)ccc3F)cc2cn1)C1CC1,CHEMBL3689698,9.46
+O=C(Nc1cc2ccc(-c3c(F)cccc3F)cc2cn1)C1CC1,CHEMBL3689699,9.76
+Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689700,9.94
+Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689701,9.17
+O=C(Nc1cc2ccc(-c3ccncc3Cl)cc2cn1)C1CC1,CHEMBL3689702,8.86
+O=C(Nc1cc2ccc(-c3ccncc3)cc2cn1)C1CC1,CHEMBL3689703,8.25
+O=C(Nc1cc2ccc(-c3cccnc3)cc2cn1)C1CC1,CHEMBL3689704,9.15
+Cc1cccc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3639885,9.69
+O=C(Nc1cc2ccc(-c3c(Cl)cccc3C(F)(F)F)cc2cn1)C1CC1,CHEMBL3689705,7.71
+N#Cc1ccccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689706,9.76
+O=C(Nc1cc2ccc(-c3ccccc3Cl)cc2cn1)C1CC1,CHEMBL3689707,9.51
+O=C(Nc1cc2ccc(-c3ccccc3F)cc2cn1)C1CC1,CHEMBL3689708,9.26
+CN1CCN(c2nccc(Nc3cc4ccc(-c5c(Cl)cccc5Cl)cc4cn3)n2)CC1,CHEMBL3689709,8.62
+Clc1cccc(Cl)c1-c1ccc2cc(Nc3ccnc(N4CCOCC4)n3)ncc2c1,CHEMBL3689710,8.99
+CCc1cc(Nc2cc3ccc(-c4c(Cl)cccc4Cl)cc3cn2)nc(N2CCOCC2)n1,CHEMBL3689711,8.3
+CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3cc(NC(C)=O)ncc3c2)c1F,CHEMBL3689712,7.66
+Cc1ccncc1-c1cc2cnc(NC(=O)C3CC3F)cc2cn1,CHEMBL3689715,9.28
+CC1CC(C)N1c1ccc2cc(NC(=O)C3CC3F)ncc2c1,CHEMBL3689716,7.38
+Cc1c(F)cncc1-c1cc2cnc(NC(=O)C3CC3F)cc2c[n+]1[O-],CHEMBL3689717,8.98
+Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689718,9.77
+O=C(Nc1cc2ccc(-c3cccc4n[nH]nc34)cc2cn1)C1CC1,CHEMBL3689719,10.14
+O=C(Nc1cc2ccc(-c3cc(F)cc4n[nH]cc34)cc2cn1)C1CC1,CHEMBL3689720,9.8
+Cc1c(-c2ccc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cnc(C(C)(C)O)c1F,CHEMBL3689721,9.57
+Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689722,10.73
+Cc1ccc[n+]([O-])c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689723,10.05
+Cc1cc(S(C)=O)ncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1,CHEMBL3689724,7.6
+CCO[C@@H]1CC1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1,CHEMBL3689727,9.35
+CCO[C@H]1CC1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1,CHEMBL3689728,9.35
+Cc1ccnc([C@@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689730,9.49
+Cc1ccnc([C@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689731,9.49
+Cc1cc(C(O)C(F)F)ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1,CHEMBL3689735,7.47
+Cc1ccc(C(=O)NC2CC(F)(F)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689738,9.15
+Cc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689739,8.68
+Cc1cc(C(C)(C)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689740,9.66
+Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1,CHEMBL3689741,8.59
+Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1,CHEMBL3689742,8.77
+Cc1cc[n+]([O-])cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689743,9.78
+Cc1ccncc1-c1cc2c[n+]([O-])c(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1,CHEMBL3689744,7.38
+Cc1ccc(C(=O)NC2(CO)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689745,9.23
+Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689746,9.71
+O=C(Nc1cc2cnc(-c3ccccc3OC(F)(F)F)cc2cn1)[C@@H]1C[C@@H]1F,CHEMBL3689747,7.66
+Cc1ccc2n[nH]cc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1,CHEMBL3689748,8.3
+Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1,CHEMBL3689749,9.38
+Cc1ccc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3689750,8.11
+Cc1ccc(C(=O)NC2(C)COC2)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3689751,7.38
+Cc1ncc(C(=O)NC2CCC2)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3689752,7.62
+Cc1ncc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(N)ncc2c1,CHEMBL3689753,7.38
+Cc1ccc(C(=O)NC2(C)COC2)c(F)c1-c1ccc2cc(N)ncc2c1,CHEMBL3689754,7.38
+Cc1ccc(C(=O)NC2(C)CCC2)cc1-c1ccc2c(Cl)c(N)ncc2c1,CHEMBL3689755,7.47
diff --git a/chembl_200/CHEMBL1867.csv b/chembl_200/CHEMBL1867.csv
new file mode 100644
index 0000000000000000000000000000000000000000..240c6327f9e5cd05b94b9abd88ccd085548363d0
--- /dev/null
+++ b/chembl_200/CHEMBL1867.csv
@@ -0,0 +1,680 @@
+Cc1c(NC2=NCCN2)cccc1-c1ccccc1,CHEMBL92221,7.72
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,7.03
+Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2,CHEMBL432155,8.22
+Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2,CHEMBL308570,8.77
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.39
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,8.19
+CC1CN=C(Nc2ccc3nccnc3c2Br)N1,CHEMBL72995,5.42
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,7.43
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,8.17
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.99
+Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1,CHEMBL72147,7.13
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,5.89
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL448620,5.78
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,6.05
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,6.235
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL290860,6.045
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,7.11
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,7.08
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC[N-][N+]#N)N1,CHEMBL98063,6.33
+COc1nc(C)nc(Cl)c1NC1=NCCN1,CHEMBL19236,6.82
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,7.18
+O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL555190,8.76
+O=C(NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL551711,8.93
+O=C(NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL538808,9.12
+O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL540594,7.28
+O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL539824,7.82
+O=C(NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL554019,9.41
+O=C(NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL539606,8.9
+O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL542520,7.58
+O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL543232,9.06
+O=C(NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL542527,8.87
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,7.02
+COc1ccc(Nc2ncc[nH]2)c(C)c1,CHEMBL77913,8.0
+COc1ccc(Nc2ncc[nH]2)c(C)c1OC,CHEMBL308863,6.89
+Cc1c(Nc2ncc[nH]2)ccc2nccnc12,CHEMBL75491,7.51
+c1c[nH]c(Nc2ccc3nc[nH]c3c2)n1,CHEMBL74544,7.12
+COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C,CHEMBL75257,8.31
+Brc1ccccc1Nc1ncc[nH]1,CHEMBL76457,6.68
+Brc1c(Nc2ncc[nH]2)ccc2nccnc12,CHEMBL1019,6.29
+Clc1cccc(Cl)c1Nc1ncc[nH]1,CHEMBL1022,7.02
+c1c[nH]c(Nc2ccc3nccnc3c2)n1,CHEMBL74449,5.51
+COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C,CHEMBL78190,7.41
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,6.12
+COc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL6310,5.86
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.6
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1788223,6.06
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL1788222,6.35
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,6.26
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51433,5.74
+COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL2092927,5.52
+NC1=NC2(CCc3cccc(Cl)c3C2)CO1,CHEMBL133231,8.8
+COc1cccc2c1CCC1(CN=CN1)C2,CHEMBL336332,7.92
+Fc1cccc2c1CC1(CC2)CN=CN1,CHEMBL131220,7.92
+Clc1cc(Cl)c2c(c1)CC1(CC2)CN=CN1,CHEMBL338683,8.52
+COc1ccc2c(c1)CC1(CC2)CN=CN1,CHEMBL133579,7.29
+COc1ccc2c(c1)CCC1(CN=CN1)C2,CHEMBL336970,7.06
+Cc1ccc2c(c1)CC1(CC2)CN=CN1,CHEMBL98471,8.15
+C1=NCC2(CCc3ccccc3C2)N1,CHEMBL130853,7.47
+COc1cccc2c1CC1(CC2)CN=CN1,CHEMBL131417,7.29
+FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1,CHEMBL101340,5.81
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,7.62
+CCc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL123448,7.51
+COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL123325,8.09
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL279436,6.65
+CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2,CHEMBL114166,6.94
+COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12,CHEMBL122404,6.97
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,CHEMBL3392247,5.81
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284103,6.4
+CN1CCc2c(Cl)ccc3oc(Br)c(c23)C1,CHEMBL123138,7.27
+COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL10347,8.34
+CN1CCc2cccc(Cl)c2CC1,CHEMBL123349,8.03
+COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL31410,5.91
+Cc1c(NC2=NCCN2)ccc2c1NCCO2,CHEMBL298936,8.92
+Cc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL49284,8.02
+Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,CHEMBL647,8.54
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2,CHEMBL93171,9.1
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,8.23
+COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL422597,9.1
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2,CHEMBL94435,7.01
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2,CHEMBL93801,7.18
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2,CHEMBL91297,6.63
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,8.61
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2,CHEMBL420830,7.64
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2,CHEMBL92496,6.63
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2,CHEMBL90966,6.93
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2,CHEMBL90419,7.59
+COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL90247,9.3
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2,CHEMBL328735,7.92
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL93489,8.06
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2,CHEMBL327875,8.85
+C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1,CHEMBL90943,9.05
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2,CHEMBL91824,7.47
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2,CHEMBL90843,6.73
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2,CHEMBL94129,8.3
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2,CHEMBL328377,7.66
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2,CHEMBL328631,8.03
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2,CHEMBL98889,7.66
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL95218,8.23
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL419894,8.05
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2,CHEMBL101411,7.16
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2,CHEMBL101361,8.28
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2,CHEMBL419336,8.52
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2,CHEMBL99916,8.77
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2,CHEMBL98646,8.77
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2,CHEMBL101596,8.96
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2,CHEMBL328195,8.85
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2,CHEMBL319573,8.54
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2,CHEMBL319119,9.52
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2,CHEMBL329065,8.72
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL98541,8.54
+COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1,CHEMBL99868,9.0
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2,CHEMBL100879,9.52
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL263424,8.96
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2,CHEMBL319530,9.3
+Cc1sc(C)c2c1CCCC2c1cnc[nH]1,CHEMBL30739,7.17
+c1cc(-c2c[nH]cn2)c2ccsc2c1,CHEMBL30534,6.56
+C1=C(c2cnc[nH]2)c2sccc2CC1,CHEMBL30955,6.65
+C1=C(c2cnc[nH]2)c2ccsc2CC1,CHEMBL286246,6.6
+Cc1sc(C)c2c1CCC=C2c1cnc[nH]1,CHEMBL284795,7.6
+c1ncc(C2CCCc3sccc32)[nH]1,CHEMBL284213,7.57
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,5.65
+COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1,CHEMBL420060,6.21
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,6.14
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,8.46
+c1ccc2c(c1)OCC(C1=NCCN1)O2,CHEMBL10316,8.133
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,7.7
+Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71479,5.41
+O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21,CHEMBL70740,6.1
+CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1,CHEMBL74114,6.06
+CS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL544290,5.25
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,6.78
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,7.09
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,7.23
+CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1,CHEMBL74467,5.35
+CCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL70973,5.88
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,7.09
+COc1ccc(SC)c(NCC2=NCCN2)c1,CHEMBL70691,6.66
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,7.38
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,6.7
+COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71001,5.44
+CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL74071,5.53
+CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1,CHEMBL70563,5.3
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,7.2
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,7.74
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,7.32
+CS(=O)c1ccccc1NCC1=NCCN1,CHEMBL542402,6.01
+CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1,CHEMBL70326,6.4
+Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12,CHEMBL74342,4.83
+Brc1c(NC2=NCCO2)ccc2nccnc12,CHEMBL73164,4.58
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,6.51
+C1COC(N2CCOCC2)=N1,CHEMBL75201,4.78
+c1ccc2c(c1)CCCC2NC1=NCCO1,CHEMBL75030,8.63
+CCC[C@H]1CCCCC1NC1=NCCO1,CHEMBL310335,8.53
+C1CCCC(NC2=NCCO2)CC1,CHEMBL305928,8.27
+c1ccc2c(c1)CCCC2NC1=NCCCO1,CHEMBL306377,7.59
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,6.02
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,6.17
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,5.67
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,6.96
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,5.66
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,6.35
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,6.2
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,6.12
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,5.8
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,6.2
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,5.68
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,5.93
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,6.04
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,5.95
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,6.56
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,6.17
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,6.02
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,5.89
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,6.3
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,6.45
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,6.22
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,6.19
+COc1ccc(OC)c(C(O)CN)c1,CHEMBL1076,5.84
+CCS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111496,6.88
+CC(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL109848,6.26
+CC(N)C(O)c1ccccc1,CHEMBL61006,6.56
+Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL323402,7.14
+CS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111554,6.98
+CS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL109783,7.48
+CCS(=O)(=O)Nc1cccc2c1CCC2c1cnc[nH]1,CHEMBL111771,7.01
+CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1,CHEMBL326702,6.77
+Oc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL317912,8.06
+CCS(=O)(=O)Nc1ccc2c(c1)C(c1cnc[nH]1)CCC2,CHEMBL327116,7.64
+CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1cnc[nH]1,CHEMBL108804,7.35
+O=C(Nc1cccc2c1CCCC2c1cnc[nH]1)C(F)(F)F,CHEMBL110751,6.51
+CN(c1cccc2c1CCCC2c1cnc[nH]1)S(C)(=O)=O,CHEMBL111463,7.07
+O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL321644,6.02
+c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL295186,7.86
+c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50720,7.82
+c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL47313,8.84
+CCC[C@H]1CCCC[C@@H]1NC1=NCCO1,CHEMBL297752,8.53
+c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL297228,7.74
+c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50719,7.68
+C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL297827,7.8
+c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL48341,7.51
+CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL296660,7.55
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,5.34
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42335,5.11
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,5.47
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,5.73
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,5.89
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL43594,4.86
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,6.64
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,5.71
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,7.0
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,5.1
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.5
+C1=NCC(CC2=Cc3ccccc3CC2)N1,CHEMBL407509,7.0
+CCC1(c2cnc[nH]2)Cc2ccccc2C1,CHEMBL353972,8.717
+C1=NCC(Cc2cc3ccccc3o2)N1,CHEMBL167644,7.7
+Clc1cccc2ccc(CC3CN=CN3)cc12,CHEMBL168168,7.6
+C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1,CHEMBL354611,8.5
+C1=NCC(CC2Cc3ccccc3C2)N1,CHEMBL353843,8.4
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,8.2
+C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1,CHEMBL165529,8.9
+Fc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353139,7.4
+CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,CHEMBL262777,7.3
+Clc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353200,7.5
+Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL436234,6.8
+C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1,CHEMBL353212,7.2
+CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL316495,6.02
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC(F)(F)F)N1,CHEMBL320736,5.64
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,6.09
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,6.43
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL323579,6.39
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COC)N1,CHEMBL100045,6.24
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1,CHEMBL99864,7.0
+CCNC(=O)C1=C(CC)NC(=COCCN)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95290,5.77
+O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1,CHEMBL196451,7.54
+CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112970,8.8
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1,CHEMBL2112978,9.05
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1,CHEMBL2112981,7.7
+c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112984,8.4
+CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112973,7.7
+CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112975,7.48
+CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL426959,7.33
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112983,8.1
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112985,8.62
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112971,8.19
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2,CHEMBL2112976,7.13
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2,CHEMBL2112969,8.04
+COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1,CHEMBL2112977,7.96
+C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112979,7.37
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL2112982,8.74
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112972,8.74
+COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL176002,9.3
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1,CHEMBL180470,9.7
+COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL435352,10.0
+CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL179237,8.89
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1,CHEMBL369378,8.89
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1,CHEMBL176261,10.0
+CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL176116,9.4
+COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL175853,9.15
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1,CHEMBL175911,9.05
+C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL180322,9.05
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1,CHEMBL178588,8.33
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1,CHEMBL425324,9.0
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,6.81
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,6.9
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,6.6
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,6.57
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,6.52
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.0
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,6.39
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.14
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,7.14
+Clc1ccc2c(c1Cl)CNCC2,CHEMBL287837,5.19
+NS(=O)(=O)c1ccc2c(c1)CNCC2,CHEMBL26717,5.47
+O=[N+]([O-])c1ccc2c(c1)CNCC2,CHEMBL281289,5.49
+CC1Cc2ccc([N+](=O)[O-])cc2CN1,CHEMBL59719,5.32
+O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2,CHEMBL59441,5.41
+O=[N+]([O-])c1ccc2c(c1)CNC(CF)C2,CHEMBL97282,5.49
+O=[N+]([O-])c1ccc2c(c1)CNC(C(F)F)C2,CHEMBL182376,5.44
+O=[N+]([O-])c1ccc2c(c1)CNC(C(F)(F)F)C2,CHEMBL112351,5.47
+FC(F)(F)C1Cc2ccc(Br)cc2CN1,CHEMBL112964,5.36
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,8.2
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,7.62
+Cc1ccc(N(N=C2NCCO2)c2cccc(O)c2)cc1,CHEMBL370818,8.33
+COc1cccc(N(N=C2NCCO2)c2ccc(C)cc2)c1,CHEMBL194323,8.38
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,5.64
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,5.99
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.6
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,5.445
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,5.55
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212912,6.34
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL213834,6.05
+Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213424,6.34
+Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213336,6.1
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,CHEMBL378669,6.49
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL213492,5.7
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL425069,6.77
+CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL106525,5.49
+CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL217366,5.44
+CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2,CHEMBL217768,6.2
+Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1,CHEMBL217180,5.44
+Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1,CHEMBL216399,6.3
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1,CHEMBL384925,6.24
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1,CHEMBL216290,5.77
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C,CHEMBL425622,5.77
+CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1,CHEMBL425803,5.96
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C,CHEMBL267464,5.66
+CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1,CHEMBL217665,6.14
+Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL216727,5.91
+Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217568,6.11
+Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL1689423,5.84
+Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL384318,5.64
+Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL218730,6.19
+Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217452,6.17
+Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217177,5.72
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL217278,5.98
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL383978,6.04
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL262901,6.08
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL216674,6.07
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217567,6.1
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217203,5.73
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1,CHEMBL217202,5.85
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1,CHEMBL218679,6.05
+Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C,CHEMBL425983,6.15
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1,CHEMBL218457,5.85
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1,CHEMBL386169,5.1
+Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C,CHEMBL440594,6.0
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1,CHEMBL216197,6.05
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C,CHEMBL214661,6.01
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C,CHEMBL424917,5.88
+CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C,CHEMBL276417,5.86
+CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C,CHEMBL216464,6.02
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1,CHEMBL385722,5.02
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C,CHEMBL217542,5.66
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C,CHEMBL268217,5.73
+Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1,CHEMBL217254,5.73
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O,CHEMBL217253,5.51
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO,CHEMBL218675,5.93
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO,CHEMBL214996,5.51
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,6.74
+CC(Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL128168,7.32
+CC(Oc1ccccc1-c1ccccn1)C1=NCCN1,CHEMBL221989,5.92
+CC(Oc1ccccc1-c1ccccc1)C1=NCCC1,CHEMBL222593,5.09
+CC(Oc1ccccc1-c1ccccc1)C1=NCCO1,CHEMBL222591,5.09
+c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1,CHEMBL1204386,5.865
+CC(Sc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL374954,6.47
+CC(Nc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL130884,7.04
+CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1,CHEMBL223836,7.83
+CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1,CHEMBL222371,7.43
+CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1,CHEMBL221523,6.91
+CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL222928,7.22
+CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1,CHEMBL222138,6.76
+CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1,CHEMBL222798,7.47
+CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL374584,7.56
+CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1,CHEMBL373830,6.51
+Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1,CHEMBL426900,7.38
+Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1,CHEMBL222973,7.29
+Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1,CHEMBL223830,7.33
+CC(Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL385310,7.34
+CC(Oc1ccccc1-c1cccs1)C1=NCCN1,CHEMBL223829,7.77
+CC(Oc1ccccc1-c1ccncc1)C1=NCCN1,CHEMBL442045,6.55
+CC(Oc1ccccc1-c1cccnc1)C1=NCCN1,CHEMBL373535,6.86
+C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL397753,7.14
+C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL242693,7.09
+C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL396013,7.04
+C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL242265,6.73
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2,CHEMBL247665,6.73
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2,CHEMBL394218,7.38
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2,CHEMBL247664,6.85
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2,CHEMBL428407,6.34
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2,CHEMBL392771,6.67
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2,CHEMBL246852,6.52
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2,CHEMBL393597,6.07
+COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1,CHEMBL246639,5.59
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2,CHEMBL392992,5.76
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2,CHEMBL246229,6.87
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2,CHEMBL392991,6.69
+COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2,CHEMBL246228,6.4
+CC(Oc1ccccc1)C1=NCCN1,CHEMBL273485,7.57
+COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1,CHEMBL492648,6.9
+COC1(C2=NCCN2)COc2c(cccc2-c2ccccc2)O1,CHEMBL492647,6.59
+c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1,CHEMBL522151,6.62
+c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1,CHEMBL492445,6.4
+c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1,CHEMBL492444,6.55
+c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1,CHEMBL493272,6.14
+c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL523048,6.62
+CC(Oc1ccccc1C1CCCCC1)C1=NCCN1,CHEMBL451229,7.13
+CC(Oc1ccccc1C1CCCC1)C1=NCCN1,CHEMBL495096,7.3
+C=CCc1ccccc1OC(C)C1=NCCN1,CHEMBL495095,7.24
+CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1,CHEMBL495097,6.67
+CCO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL492639,6.38
+CO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL442815,6.18
+CC(Oc1ccccc1/C=N/O)C1=NCCN1,CHEMBL493675,6.54
+c1ccc(OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL494885,7.03
+c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1,CHEMBL512062,6.67
+c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1,CHEMBL448802,6.09
+c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1,CHEMBL448147,5.99
+c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1,CHEMBL468710,5.76
+c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1,CHEMBL468711,6.0
+c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1,CHEMBL512289,6.95
+Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1,CHEMBL508084,6.42
+c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1,CHEMBL448908,5.96
+CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1,CHEMBL513871,6.94
+CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1,CHEMBL469127,6.55
+CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1,CHEMBL466012,6.69
+Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1,CHEMBL466634,6.33
+Fc1ccc(C2Cc3nccn3C2)c(-c2cc[nH]n2)c1,CHEMBL511211,5.83
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL191703,6.18
+O=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL14638,7.37
+S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,CHEMBL260374,6.9
+CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br,CHEMBL493091,7.16
+COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1,CHEMBL518592,6.54
+O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL477816,6.49
+O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL478026,7.57
+N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1,CHEMBL515331,6.49
+CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1,CHEMBL477608,6.65
+CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1,CHEMBL514837,7.11
+CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1,CHEMBL476569,7.125
+O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1,CHEMBL476774,6.35
+c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1,CHEMBL491420,7.58
+c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL179648,6.81
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,7.13
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,9.0
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.06
+CC(OC1=NCCN1)c1ccccc1,CHEMBL571314,7.57
+C=CCc1ccccc1C(C)OC1=NCCN1,CHEMBL570973,7.24
+Cc1ccccc1C(C)OC1=NCCN1,CHEMBL570863,7.61
+CCCc1ccccc1C(C)OC1=NCCN1,CHEMBL576078,7.3
+CC(OC1=NCCN1)c1ccccc1C1CC1,CHEMBL576623,7.64
+c1ccc(C2CC2)c(OCC2=NCCN2)c1,CHEMBL13852,7.23
+Cc1ccccc1COC1=NCCN1,CHEMBL576819,7.46
+CCCc1ccccc1COC1=NCCN1,CHEMBL569933,7.31
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,6.96
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,9.09
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,8.7
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,9.62
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,5.89
+C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,CHEMBL226335,5.03
+CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL1085510,8.8
+COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221498,8.77
+COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221499,8.28
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221544,8.34
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,8.33
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,8.56
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221545,8.39
+COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221591,7.95
+COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221592,8.07
+COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221593,8.21
+COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221594,8.54
+Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21,CHEMBL1224527,5.46
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,6.28
+C[C@]12C[C@@]1(c1cnc[nH]1)Cc1ccccc12,CHEMBL1255771,9.35
+CC1(C)[C@@H]2c3ccccc3C[C@@]21c1cnc[nH]1,CHEMBL1255770,8.97
+CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255724,9.39
+CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255723,9.86
+C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1256378,9.76
+CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1255616,9.07
+CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256610,9.29
+C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256609,9.66
+CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256608,7.34
+CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256566,8.4
+CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256565,8.48
+CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1cnc[nH]1,CHEMBL1256502,7.93
+c1ccc2c(c1)C[C@]1(c3cnc[nH]3)C[C@H]21,CHEMBL1256414,10.27
+CCC1(c2cnc[nH]2)Cc2ccc(F)cc2C1,CHEMBL1255582,8.14
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.65
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.66
+C=CCc1ccccc1O[C@H](C)C1=NCCN1,CHEMBL1276139,7.0
+C=CCc1ccccc1O[C@@H](C)C1=NCCN1,CHEMBL1276140,7.28
+CC(Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276218,7.64
+C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276219,7.35
+C[C@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276220,7.68
+C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276247,6.78
+C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276248,7.35
+C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278084,7.4
+C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278085,7.01
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.12
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.16
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,5.93
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,8.26
+CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,CHEMBL990,5.86
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.47
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.84
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,6.69
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.74
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.31
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,5.63
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.59
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.27
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.93
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.53
+Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,CHEMBL1365675,6.46
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,6.88
+CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CHEMBL311469,5.1
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,6.65
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.34
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.51
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.7
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.79
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.68
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,7.82
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.69
+CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,CHEMBL50588,7.85
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,7.3
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.63
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.66
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,6.2
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.1
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,9.1
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,5.95
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.73
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.21
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.18
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.3
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.24
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,9.13
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,9.41
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.74
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.35
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.28
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.45
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,6.88
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.78
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.99
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.28
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,6.97
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.16
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.12
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.4
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,7.04
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.16
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,6.29
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.9
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,6.59
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,7.0
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,5.95
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.6
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.82
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.56
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.2
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.07
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.09
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.16
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,5.99
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.83
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,6.79
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.94
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.83
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,7.17
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.36
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,5.86
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,6.22
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,5.13
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.26
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,5.56
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,6.21
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.09
+O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,CHEMBL119385,4.89
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.47
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.66
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.3
+C#CCN(C)[C@H](C)Cc1ccccc1,CHEMBL972,6.17
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.82
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.14
+CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,CHEMBL84158,6.11
+CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,CHEMBL822,5.67
+CC1CCC(NC(=O)N(CCCl)N=O)CC1,CHEMBL12948,5.74
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.97
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.12
+Clc1ccccc1CN1CCc2sccc2C1,CHEMBL833,6.84
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,6.43
+CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL26,6.12
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.2
+CC(Oc1ccccc1Cl)C1=NCCN1,CHEMBL1956191,7.54
+CC(Oc1ccccc1Br)C1=NCCN1,CHEMBL1956192,7.64
+CC(Oc1ccccc1C(F)(F)F)C1=NCCN1,CHEMBL1956193,6.74
+CCc1ccccc1OC(C)C1=NCCN1,CHEMBL156336,7.62
+CC(Oc1ccccc1C(C)C)C1=NCCN1,CHEMBL266613,7.14
+C=C(C)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956194,7.14
+CC(Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL1956195,7.44
+CCOc1ccccc1OC(C)C1=NCCN1,CHEMBL1956196,7.01
+CC(C)Oc1ccccc1OC(C)C1=NCCN1,CHEMBL14208,7.08
+CC(Oc1ccccc1OC1CC1)C1=NCCN1,CHEMBL1956197,7.08
+COc1ccccc1OC(C)C1=NCCN1,CHEMBL1956199,7.24
+CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1,CHEMBL1956200,5.5
+CC(Oc1ccccc1C=O)C1=NCCN1,CHEMBL1956201,5.98
+CC(=O)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956202,5.99
+CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,CHEMBL17860,8.36
+Cc1cccc(C)c1OC(C)C1=NCCN1,CHEMBL155866,7.93
+CCc1cccc(CC)c1OC(C)C1=NCCN1,CHEMBL157955,7.5
+C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1,CHEMBL157206,7.78
+CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1,CHEMBL1956203,6.31
+c1ccc(C2COC(C3=NCCN3)CO2)cc1,CHEMBL1956900,6.3
+c1ccc([C@H]2CO[C@H](C3=NCCN3)CO2)cc1,CHEMBL1956901,5.1
+c1ccc([C@@H]2CO[C@@H](C3=NCCN3)CO2)cc1,CHEMBL1956902,6.4
+c1ccc([C@H]2COC[C@@H](C3=NCCN3)O2)cc1,CHEMBL1956903,5.27
+c1ccc([C@@H]2COC[C@@H](C3=NCCN3)O2)cc1,CHEMBL1956904,5.2
+c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1,CHEMBL1956906,5.42
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2,CHEMBL2022269,6.14
+Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022272,6.43
+Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2,CHEMBL2022273,6.39
+OCCOCCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1,CHEMBL2022275,6.34
+CC1CN=C(Nc2c(Cl)cccc2Cl)N1,CHEMBL2058631,5.71
+CC1COC(NC(C2CC2)C2CC2)=N1,CHEMBL2058632,5.31
+Clc1ccccc1NC1=NCCC1,CHEMBL2058633,5.52
+CC1CCC(Nc2ccc(I)cc2Cl)=N1,CHEMBL2058635,5.59
+C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089155,7.35
+C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089156,7.38
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,4.77
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.89
+Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12,CHEMBL2205361,5.91
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,6.02
+COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1,CHEMBL2205360,6.19
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.2
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.02
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.02
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,5.56
+COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432046,5.28
+c1ccc2oc(C3=NCCN3)cc2c1,CHEMBL404505,4.57
+c1ccc(OC2CC2)c(OCC2=NCCN2)c1,CHEMBL2431280,6.5
+Brc1ccccc1OCC1=NCCN1,CHEMBL2431279,7.02
+CCCc1ccccc1OCC1=NCCN1,CHEMBL13917,7.31
+c1ccc(OCC2=NCCN2)c(CC2CC2)c1,CHEMBL2431281,7.11
+C=CCc1ccccc1OCC1=NCCN1,CHEMBL14107,6.9
+CCCc1ccccc1OC(C)C1=NCCN1,CHEMBL2431282,7.3
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.525
+Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,CHEMBL2441619,5.92
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.39
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,5.74
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.64
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,7.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.2
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.07
+CCOc1ccc(NC(=N)NCc2ccco2)cc1,CHEMBL3289533,5.83
+CN(C)c1ccc(NC(=N)NCc2ccco2)cc1,CHEMBL3289532,6.67
+N=C(NCc1ccco1)Nc1ccc2c(c1)CCCC2,CHEMBL3289531,6.29
+CCNc1ccc(NC(=N)NCc2ccco2)cc1,CHEMBL3289530,5.97
+N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2,CHEMBL3289529,5.82
+CCOc1ccc(NC(=N)NCCO)cc1,CHEMBL3289528,4.72
+CN(C)c1ccc(NC(=N)NCCO)cc1,CHEMBL3289527,5.73
+N=C(NCCO)Nc1ccc2c(c1)CCCC2,CHEMBL3289526,5.76
+CCNc1ccc(NC(=N)NCCO)cc1,CHEMBL3289525,4.73
+N=C(NCCO)Nc1ccc2c(c1)OCO2,CHEMBL3289524,4.93
+CCOc1ccc(NC(=N)Nc2ccccc2)cc1,CHEMBL3289523,5.65
+CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1,CHEMBL3289522,6.41
+N=C(Nc1ccccc1)Nc1ccc2c(c1)CCCC2,CHEMBL3289521,6.58
+CCNc1ccc(NC(=N)Nc2ccccc2)cc1,CHEMBL3289520,5.31
+N=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2,CHEMBL3289534,5.36
+CCCNC(=N)Nc1ccc(OCC)cc1,CHEMBL3289535,5.37
+CCCNC(=N)Nc1ccc(N(C)C)cc1,CHEMBL3289536,5.95
+CCCNC(=N)Nc1ccc2c(c1)CCCC2,CHEMBL3289537,6.17
+CCCNC(=N)Nc1ccc(NCC)cc1,CHEMBL3289538,5.08
+CCCNC(=N)Nc1ccc2c(c1)OCO2,CHEMBL3289539,4.82
+CCOc1ccc(NC(=N)N)cc1,CHEMBL3289540,6.85
+CCOc1ccc(NC2=NCC(C)N2)cc1,CHEMBL3289541,4.85
+CC1CN=C(Nc2ccc(N(C)C)cc2)N1,CHEMBL3289542,5.48
+CC1CN=C(Nc2ccc3c(c2)CCCC3)N1,CHEMBL3289543,6.0
+CCNc1ccc(NC2=NCC(C)N2)cc1,CHEMBL3289544,4.91
+CC1CN=C(Nc2ccc3c(c2)OCO3)N1,CHEMBL3289545,5.63
+CCOc1ccc(NC2=NCC(c3ccco3)N2)cc1,CHEMBL3289546,5.58
+CN(C)c1ccc(NC2=NCC(c3ccco3)N2)cc1,CHEMBL3289547,5.88
+c1coc(C2CN=C(Nc3ccc4c(c3)CCCC4)N2)c1,CHEMBL3289548,6.16
+CCNc1ccc(NC2=NCC(c3ccco3)N2)cc1,CHEMBL3289549,5.66
+c1coc(C2CN=C(Nc3ccc4c(c3)OCO4)N2)c1,CHEMBL3289550,5.77
+CCOc1ccc(NC2=NCCN2)cc1,CHEMBL3289551,7.1
+c1ccc2c(c1)cnn2NC1=NCCN1,CHEMBL1186220,7.28
+Fc1ccc2cnn(NC3=NCCN3)c2c1,CHEMBL3343699,7.48
+Fc1cccc2cnn(NC3=NCCN3)c12,CHEMBL3343700,7.19
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608450,6.14
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.99
+Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C,CHEMBL3814535,4.24
+CCCCCNc1cc(C)n(CCCCC)c(=O)c1,CHEMBL3814593,4.21
+CCCCCn1c(C)cc(NCc2ccccc2)cc1=O,CHEMBL3814220,4.39
+CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O,CHEMBL3814521,4.1
+Cc1cc(NCCC(C)C)cc(=O)n1CCC(C)C,CHEMBL3814626,4.28
+Cc1cc(NCc2ccccc2)cc(=O)n1CCC(C)C,CHEMBL3814276,4.57
+Cc1cc(NCc2ccc(Cl)cc2)cc(=O)n1CCC(C)C,CHEMBL3814259,4.0
+CN1CCCCC1CCn1c2ccccc2c2ccccc21,CHEMBL3593723,5.92
+CN1CCCCC1CCn1cnc2ccccc21,CHEMBL3593725,4.96
+CCC1(C2=NCCN2)Cc2ccccc2O1,CHEMBL57895,8.36
+Cc1cccc([C@H](C)c2cnc[nH]2)c1C,CHEMBL778,8.6
diff --git a/chembl_200/CHEMBL1871.csv b/chembl_200/CHEMBL1871.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4cc86c3933c3cef024102ac86774f3ad7ea77620
--- /dev/null
+++ b/chembl_200/CHEMBL1871.csv
@@ -0,0 +1,757 @@
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL717,8.54
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])cc1,CHEMBL50023,5.2
+C=C1CCCC(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL417729,6.13
+CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL156142,7.12
+CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc21,CHEMBL346487,7.21
+CC1(C)Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC1(C)C,CHEMBL156806,6.72
+CC1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC1(C)C,CHEMBL160665,7.14
+CCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL351148,7.54
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC1(CCCCC1)CC3,CHEMBL345854,8.05
+CCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1C,CHEMBL160230,8.0
+CCC1(CC)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL160250,6.99
+CCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NC(C)(C)C=C3C,CHEMBL160239,6.17
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NC(C)(C)CC3,CHEMBL346827,7.25
+CCC1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC1(C)C,CHEMBL350465,6.6
+CCCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL160713,7.16
+CC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC(C)(C)C1(C)C,CHEMBL157344,6.45
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCCC1(C)CC3,CHEMBL157407,7.11
+CN1c2cc3c(cc2CCC1(C)C)c(C(F)(F)F)cc(=O)n3C,CHEMBL435651,7.77
+CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)n(C)c1c2C,CHEMBL160923,6.06
+Cc1c2c(cc3c(C(F)(F)F)cc(=O)[nH]c13)C(C)CC(C)(C)N2,CHEMBL347910,7.07
+CC1=CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL160386,7.09
+CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)[nH]c1c2C,CHEMBL157703,7.09
+CC1=CC(C)(C)N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL347870,6.16
+CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL156982,7.27
+CC1(C)CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL6874,7.59
+CCC1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1,CHEMBL422707,7.16
+CC(C)C1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL156751,6.19
+CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL160451,6.94
+CC1=C(C)C(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL349539,6.57
+C[C@@H]1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC(C)(C)[C@H]1C,CHEMBL160257,6.82
+Cc1c2c(cc3c(C(F)(F)F)cc(=O)n(C)c13)C(C)CC(C)(C)N2,CHEMBL352002,7.4
+CC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL345342,7.41
+C[C@H]1[C@@H](C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC1(C)C,CHEMBL156641,6.34
+CC1CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL156278,7.34
+CC1(C)C=Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL350877,7.105
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL139835,7.85
+CC12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2,CHEMBL156312,6.77
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277,6.17
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3,CHEMBL336353,6.09
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3,CHEMBL413309,5.84
+CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL806,5.66
+C[C@H]1Nc2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C,CHEMBL351519,8.05
+CCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@H]31,CHEMBL352456,6.71
+C[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2[C@H]1C,CHEMBL162569,8.22
+C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(C(F)(F)F)cc(=O)n(C)c3cc1N2C,CHEMBL161980,7.11
+C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL351465,8.0
+CCCN1c2cc3c(cc2[C@H]2CCCC[C@H]21)c(C(F)(F)F)cc(=O)n3C,CHEMBL165912,7.2
+CC1(C)CNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL351022,7.55
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,CHEMBL350932,8.3
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@]31C,CHEMBL422196,8.05
+CN1c2cc3c(cc2[C@H]2CCCC[C@H]21)c(C(F)(F)F)cc(=O)n3C,CHEMBL161892,8.0
+C[C@H]1N(C)c2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C,CHEMBL349631,7.48
+CN1c2cc3c(cc2[C@@]2(C)CCCC[C@@H]12)c(C(F)(F)F)cc(=O)n3C,CHEMBL163143,7.01
+CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12,CHEMBL423620,7.11
+C[C@H]1Nc2cc3c(cc2[C@H]1C)c(C(F)(F)F)cc(=O)n3C,CHEMBL348918,8.0
+C[C@H]1CC[C@H]2Nc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3[C@H]2C1,CHEMBL166212,7.64
+C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1,CHEMBL163366,8.05
+C[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C,CHEMBL165219,7.68
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@H]31,CHEMBL163425,8.4
+C[C@@H]1CNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL349229,7.77
+C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(C(F)(F)F)c3cc12,CHEMBL351447,7.68
+C[C@H]1CC[C@H]2Nc3cc4c(cc3[C@H]2C1)c(C(F)(F)F)cc(=O)n4C,CHEMBL165803,7.03
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NCC3,CHEMBL162503,7.21
+CC1(C)CCC[C@@H]2c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@@H]21,CHEMBL162368,7.1
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCC3,CHEMBL166323,7.39
+CN1c2cc3c(cc2[C@H]2CCCC(C)(C)[C@H]21)c(C(F)(F)F)cc(=O)n3C,CHEMBL163142,7.23
+CN1CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc21,CHEMBL162103,6.78
+C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL296323,9.52
+C[C@](O)(CBr)C(=O)Nc1ccc(N)c(C(F)(F)F)c1,CHEMBL49615,7.09
+C[C@@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL48159,7.78
+C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL302870,8.4
+CCC1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL390728,7.96
+CCCCS(=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3,CHEMBL132295,7.02
+CC1(C)CCc2cc3c(C(F)(F)F)cc(Cl)nc3cc2N1,CHEMBL133792,7.08
+CN1c2cc3nc(C#N)cc(C(F)(F)F)c3cc2CCC1(C)C,CHEMBL132427,7.07
+CC1(C)CCc2cc3c(C(F)(F)F)cc(Br)nc3cc2N1,CHEMBL134140,6.8
+CC1(C)CCc2cc3c(C(F)(F)F)cc(C#N)nc3cc2N1,CHEMBL335316,7.66
+CC1(C)CCc2cc3c(C(F)(F)F)cc(NS(C)(=O)=O)nc3cc2N1,CHEMBL134180,6.24
+CC1=CC(C)(C)Nc2cc3nc(Cl)cc(C(F)(F)F)c3cc21,CHEMBL133331,6.49
+CC1(C)CCc2cc3c(C(F)(F)F)cc(F)nc3cc2N1,CHEMBL133503,7.96
+CC1(C)CCc2cc3c(C(F)(F)F)ccnc3cc2N1,CHEMBL338922,8.3
+CN1c2cc3nc(Cl)cc(C(F)(F)F)c3cc2CCC1(C)C,CHEMBL133289,6.53
+CC1=CC(C)(C)Nc2cc3nc(F)cc(C(F)(F)F)c3cc21,CHEMBL132803,7.24
+CS(=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3,CHEMBL134209,7.7
+CN1c2cc3nc(F)cc(C(F)(F)F)c3cc2CCC1(C)C,CHEMBL133465,7.02
+CN1c2cc3nc(Br)cc(C(F)(F)F)c3cc2CCC1(C)C,CHEMBL133167,6.37
+C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@H]1O,CHEMBL299766,5.0
+C=C1CCCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51669,5.96
+C=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48745,5.72
+C=C1C[C@H](CO)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL296156,5.17
+C=C1C=C(C)CC(C)(C)C1(O)Cc1ccc([N+](=O)[O-])cc1,CHEMBL2113712,5.19
+C=C1C[C@H](C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL50454,5.94
+C=C1CCCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48858,5.81
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL54270,5.71
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])c(C)c1,CHEMBL299512,5.57
+CCOC1=CC(=O)C(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1,CHEMBL49966,5.0
+C=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48358,5.82
+C=C1C[C@H](C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL53549,6.16
+C=C1CCC[C@H](C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL299778,5.78
+C=C1C=C(C)CC(C)(C)C1C/C=C/c1cc(OC)c(Br)cc1O,CHEMBL49978,5.63
+C=C1C=C(C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL51933,5.82
+COc1cc(CC2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br,CHEMBL50849,5.52
+C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@@]1(C)O,CHEMBL50534,5.18
+C=C1CCC[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51788,6.24
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48746,5.84
+C=C1C(C)=CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL50619,5.19
+C=C1C=C(C)C(Cc2cc(OC)c(Br)cc2O)C(C)(C)C1,CHEMBL299828,5.8
+C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C,CHEMBL50241,8.96
+O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,CHEMBL78646,6.74
+COc1ccc2c(c1)CCC1=CC(=O)CC[C@@]12Cc1ccccc1,CHEMBL82307,7.27
+Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1,CHEMBL77779,6.89
+O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL310180,5.89
+COc1ccc2c(c1)CCC1=CC(=O)CC[C@]12Cc1ccccc1,CHEMBL78807,6.16
+CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C,CHEMBL78704,7.05
+CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL78625,6.19
+CCC1CCNc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL27297,8.05
+CC1(C)CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL281028,7.92
+C[C@H]1CNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1CCC(F)(F)F,CHEMBL281945,8.7
+CC1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL283449,8.05
+CCCC1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL280865,7.54
+CCC1CCN(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL27413,6.58
+CC[C@H]1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC[C@H]1C,CHEMBL2113261,7.57
+CCC1(CC)CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL282866,7.24
+CC(C)C[C@H]1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC[C@@H]1C,CHEMBL2113248,7.14
+CC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC[C@H]1C,CHEMBL282204,8.1
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCCC3,CHEMBL286684,7.72
+CCC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC[C@@H]1C,CHEMBL418198,8.1
+CC(C)CC1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL282813,7.66
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC[C@@H]1CCC[C@H]31,CHEMBL27812,8.1
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC[C@@H]1CCCC[C@H]31,CHEMBL431493,8.7
+CCC1CCN(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL27945,6.2
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC[C@H]1CCCC[C@H]31,CHEMBL25802,7.82
+CC1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2NC[C@@H]1C,CHEMBL436344,7.8
+CC(C)C1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL27276,7.89
+C[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL268326,8.22
+C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C,CHEMBL7058,7.82
+CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C[C@@H]1C,CHEMBL7455,7.92
+CC[C@@H]1C[C@H](C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL7373,7.68
+CC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C,CHEMBL7053,7.96
+CC[C@@H]1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL7177,8.1
+CC[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1CC,CHEMBL7421,7.54
+C[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C,CHEMBL6983,7.66
+CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C[C@H]1C,CHEMBL7089,7.96
+CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL427957,7.64
+CC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1CC,CHEMBL6959,7.8
+CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2CC1(C)C,CHEMBL6689,7.3
+CC[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C,CHEMBL266269,7.82
+CCC[C@@H]1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL268569,7.62
+CC(C)[C@@H]1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL267850,6.96
+CC[C@H]1C[C@@H](CC)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL7383,8.05
+CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2CC1(CC)CC,CHEMBL267471,7.38
+C[C@@H]1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL267141,8.15
+C[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2CC1(C)C,CHEMBL267907,7.09
+CCC[C@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1CC,CHEMBL7231,7.49
+CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O,CHEMBL2112349,7.57
+CCCCC1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114941,6.04
+CCCCC1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL322108,6.11
+CCCCC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL326092,5.88
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(Cl)cc1-3,CHEMBL286446,6.21
+CCCCC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL112987,6.05
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(F)cc1-3,CHEMBL116007,6.34
+CC1=CC(C)(C)Nc2ccc3c(c21)C(CCC(C)C)Oc1ccccc1-3,CHEMBL114607,5.83
+CCCOC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL116221,6.16
+CCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL325221,5.69
+CCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415524,5.8
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3,CHEMBL337856,6.02
+COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL335996,6.36
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3,CHEMBL137103,6.05
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL134421,5.58
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL32812,6.1
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,CHEMBL302362,6.07
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL286158,6.09
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL34015,6.16
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL32603,5.92
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL284475,6.14
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL36564,6.21
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL35525,6.3
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL285705,5.97
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34824,6.25
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL35429,5.93
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL36065,5.96
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(Cl)cc1-3,CHEMBL318409,5.85
+C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,CHEMBL131,5.573
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL95644,5.47
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OCSC)c1)O2)C(C)=CC(C)(C)N3,CHEMBL97206,5.51
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OC(=O)N(C)C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL317578,5.51
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3,CHEMBL101914,5.73
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL318513,6.1
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3,CHEMBL103092,5.8
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL320690,5.82
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3,CHEMBL317921,5.23
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286595,5.57
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(C)cc(Br)c1)Oc1ccccc1-3,CHEMBL101907,5.46
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(F)c1)Oc1ccccc1-3,CHEMBL102754,5.84
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccccc1-3,CHEMBL102720,5.73
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL102403,5.63
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL430855,5.67
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3,CHEMBL102541,5.59
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL386630,7.54
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,CHEMBL166444,9.4
+C=CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266282,5.91
+C=CCC1Oc2cccc(NC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL440454,5.59
+C=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL268239,5.88
+C=CCC1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267231,7.02
+C=CCC1Oc2cccc(SC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8394,5.61
+C#Cc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL7671,6.19
+C=CCC1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266709,5.69
+C=CCC1Oc2cccc(C=C)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267940,6.62
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)NCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL414318,7.47
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL407672,8.05
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(C)=O)cc3)C[C@@]21C,CHEMBL364368,8.05
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]4CC[C@H]5[C@H]6[C@H](C[C@H](O)[C@@]54C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]6O)C(=O)O)cc3)C[C@@]21C,CHEMBL436859,7.47
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)OC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL411185,7.68
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)OC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL266935,8.21
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL427568,8.07
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL408376,8.13
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL384975,7.8
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCS(=O)(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL406027,7.77
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL415621,8.34
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL2096804,8.32
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL2096708,8.48
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC[C@H]4[C@H](O)CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@H]45)cc3)C[C@@]21C,CHEMBL440251,7.28
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]54)cc3)C[C@@]21C,CHEMBL263942,7.43
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]54)cc3)C[C@@]21C,CHEMBL414041,7.74
+O=C1[C@H]2C3C=CC(CC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1,CHEMBL184981,7.315
+O=C1[C@H]2C3C=CC(CCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL369542,8.05
+O=C1[C@H]2C3C=CC([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL367375,8.52
+O=C1[C@H]2C3C=CC(C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL181571,9.15
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL187605,7.4
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL414845,6.74
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21,CHEMBL188129,7.22
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21,CHEMBL188545,5.99
+CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N12,CHEMBL364393,6.64
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21,CHEMBL188803,6.62
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21,CHEMBL188857,6.72
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@]1(C)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL188261,5.85
+O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL185880,9.0
+O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL188297,8.3
+N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)cc1C(F)(F)F,CHEMBL362566,8.0
+O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL426623,8.0
+N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)c2ccccc12,CHEMBL365921,7.4
+N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)c4ccccc4)N3C2=O)cc1C(F)(F)F,CHEMBL189600,6.92
+O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])cc1,CHEMBL365650,8.0
+CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)N32)cc1,CHEMBL447184,6.16
+CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N32)cc1,CHEMBL365482,7.15
+CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)cc4)C(=O)N32)cc1,CHEMBL371392,7.0
+C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL410683,6.5
+C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL402063,6.62
+CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1,CHEMBL198037,5.47
+CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL197548,5.54
+CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1,CHEMBL370567,5.82
+CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL199238,5.93
+C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL197595,8.34
+O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL436784,8.724
+O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC(F)(F)F)ccc2[nH]1,CHEMBL267260,8.15
+CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL217769,8.15
+O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC3CC3)ccc2[nH]1,CHEMBL217324,8.2
+CCN(c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(C)C,CHEMBL217402,8.13
+CCCCN(CCCC)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL216949,6.65
+CCCN(CCC)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL442240,7.19
+CCN(CC)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL277378,8.36
+CN(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL217168,6.82
+CC(C)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL217428,7.24
+CCCNc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL405835,7.27
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c2ccccc12,CHEMBL425646,8.448
+N#Cc1ccc(N2C(=O)C3C(O)CCN3C2=O)c2ccccc12,CHEMBL218914,8.26
+O=C1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL220359,8.75
+O=C1C2C(O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL374781,8.46
+O=C1[C@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL2096842,8.37
+O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL219198,8.82
+O=C1C2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL374121,8.77
+N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)N3C2=O)c2ccccc12,CHEMBL218809,7.62
+O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL384533,9.0
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC1CCCCN31,CHEMBL226609,7.8
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H]1CCCN31,CHEMBL227749,7.57
+CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227695,6.96
+CC(C)[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL226559,7.29
+CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL226558,8.55
+CC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL390746,7.72
+C[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227088,8.24
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL388997,8.03
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227440,8.11
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,CHEMBL389481,7.64
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,CHEMBL227394,8.4
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC,CHEMBL224207,8.25
+CCN1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2OCC1C,CHEMBL227305,8.38
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1,CHEMBL227033,6.95
+CCC1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL376360,7.52
+CCC1CN(CC)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL388831,7.47
+CCC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL227463,7.24
+CC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL268589,7.48
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccc1,CHEMBL390577,6.69
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1,CHEMBL227784,8.8
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F,CHEMBL227783,8.4
+CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL375907,7.32
+CC(C)CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL227645,7.77
+CCCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL227590,8.02
+CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL224204,8.92
+CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL227030,7.82
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1445,8.24
+CCC1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL3706874,7.96
+CC(C)(C)CNc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706911,7.25
+CC(C)CNc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706910,7.23
+O=c1cc(C(F)(F)F)c2cc(NC3CCCC3)ccc2[nH]1,CHEMBL3706909,7.13
+O=c1cc(C(F)(F)F)c2cc(NCC(F)(F)C(F)(F)F)ccc2[nH]1,CHEMBL3706908,7.11
+O=c1cc(C(F)(F)F)c2cc(NCC(F)(F)F)ccc2[nH]1,CHEMBL3706907,7.8
+CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(F)(F)F,CHEMBL3706903,6.8
+CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NC,CHEMBL3706902,6.06
+Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(C)C,CHEMBL3706901,6.19
+CCCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1C,CHEMBL3706900,6.19
+CCC(C)c1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706899,7.89
+CCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706898,8.05
+CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706897,7.7
+Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706896,7.52
+CCCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706895,6.62
+CCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706894,7.52
+CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706893,6.33
+CN(C)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706892,6.12
+O=c1cc(C(F)(F)F)c2ccc(NCc3ccccc3)cc2[nH]1,CHEMBL3706891,6.79
+O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)C(F)(F)F)cc2[nH]1,CHEMBL3706889,7.44
+O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)F)cc2[nH]1,CHEMBL3706888,7.82
+O=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1,CHEMBL3706887,6.0
+O=c1cc(C(F)(F)F)c2ccc(NC3CCCC3)cc2[nH]1,CHEMBL3706886,6.0
+O=c1cc(C(F)(F)F)c2ccc(NC3CCC3)cc2[nH]1,CHEMBL3706885,6.79
+C=CC(C)(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706884,6.93
+CCC(C)(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706883,6.96
+CC(C)(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706882,6.87
+CC(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706881,7.19
+CC(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706880,7.1
+CCCCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706879,7.3
+CCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706878,7.54
+CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706877,7.08
+Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706876,6.39
+CCCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706875,7.43
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c2ncccc12,CHEMBL397274,7.68
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1,CHEMBL388210,7.47
+COc1cc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc1C#N,CHEMBL439873,7.62
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1C(F)(F)F,CHEMBL388421,8.11
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1Cl,CHEMBL230052,8.82
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1-c1ccccc1,CHEMBL230053,7.32
+Cc1cc(C#N)ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O,CHEMBL389606,8.07
+Cc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1C,CHEMBL389607,8.35
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F,CHEMBL230694,8.54
+COc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1C,CHEMBL230695,8.43
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1F,CHEMBL390849,8.89
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Br,CHEMBL398226,8.92
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C#N,CHEMBL231014,8.1
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c(F)c1F,CHEMBL231015,8.37
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c(F)c1Cl,CHEMBL394592,8.52
+COc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1Cl,CHEMBL394593,8.21
+Cc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1Cl,CHEMBL231122,9.15
+COc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C,CHEMBL395502,8.09
+COc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F,CHEMBL231327,8.1
+CCc1cc(C#N)ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O,CHEMBL231328,7.85
+CCc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F,CHEMBL397217,8.48
+CC1=C(c2ccc(C#N)c(Cl)c2C)C(=O)N2CC[C@H](O)[C@@H]12,CHEMBL395483,9.3
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@H]2C(C)C)ccc(C#N)c1Cl,CHEMBL390594,7.64
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL229211,8.66
+CC[C@@H]1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL390593,8.64
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL229210,9.0
+CC[C@H]1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229160,9.15
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL229159,8.54
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL389250,8.72
+CC[C@@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229916,8.8
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C)ccc(C#N)c1Cl,CHEMBL229862,8.4
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL375918,9.05
+CC[C@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229861,9.05
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL229860,8.81
+Cc1c(N2C[C@H]3[C@H](CC[C@H]3O)C2=O)ccc(C#N)c1Cl,CHEMBL389077,8.66
+Cc1c(N2C[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl,CHEMBL229808,8.46
+Cc1cc(=O)[nH]c2ccc(N(CC(C)C)CC(F)(F)F)cc12,CHEMBL235346,7.92
+C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL235347,8.01
+C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL394194,8.27
+C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F,CHEMBL235128,6.95
+C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F,CHEMBL235127,8.04
+O=c1cc(O)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL235126,6.0
+COc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL393280,7.64
+O=c1cc(Br)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL238332,9.3
+O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL238331,9.3
+O=c1cc(C(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL238330,9.4
+CC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL238124,7.68
+CCCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL392004,7.38
+CCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL238123,8.27
+Cc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL238122,8.85
+O=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL391798,7.62
+CC(=O)C(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706931,8.51
+O=c1cc(C(F)(F)F)c2cc(N(Cc3ccoc3)CC(F)(F)F)ccc2[nH]1,CHEMBL3706930,7.85
+O=C(N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F,CHEMBL3706929,6.0
+CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706928,7.72
+O=c1cc(C(F)(F)F)c2cc(N(Cc3cccs3)CC(F)(F)F)ccc2[nH]1,CHEMBL3706927,7.21
+O=c1cc(C(F)(F)F)c2cc(N(Cc3ccccc3)CC(F)(F)F)ccc2[nH]1,CHEMBL3706926,7.1
+O=c1cc(C(F)(F)F)c2cc(N(CCO)CC(F)(F)F)ccc2[nH]1,CHEMBL237682,8.18
+O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)C(F)(F)F)ccc2[nH]1,CHEMBL237681,7.51
+O=c1cc(C(F)(F)F)c2cc(N(CCC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL391940,6.94
+O=c1cc(C(F)(F)F)c2cc(N(CC(Cl)Cl)CC(F)(F)F)ccc2[nH]1,CHEMBL428026,8.22
+O=c1cc(C(F)(F)F)c2cc(N(CCCl)CC(F)(F)F)ccc2[nH]1,CHEMBL237474,8.59
+O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL440980,8.77
+CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL393865,7.54
+CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL237473,6.61
+CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL237472,7.92
+CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL237262,8.54
+CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL393864,7.48
+CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL237261,7.92
+CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL237259,8.05
+O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)Cl)ccc2[nH]1,CHEMBL393664,8.64
+O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)F)ccc2[nH]1,CHEMBL237045,9.3
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL394369,6.54
+CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL428922,6.46
+CO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL397920,6.96
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)O)O2)C(C)=CC(C)(C)N3,CHEMBL244537,5.82
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,CHEMBL397919,6.54
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(O)C(F)(F)F)O2)C(C)=CC(C)(C)N3,CHEMBL243656,5.72
+COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL395716,6.82
+O=c1cc(C(F)(F)F)c2cc(N3CCCC3)ccc2[nH]1,CHEMBL446191,5.77
+C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL2113293,8.12
+C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL467888,8.82
+C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL395992,8.0
+C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL243252,7.15
+C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL243251,7.37
+C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL244896,7.72
+CC1CCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL244895,7.14
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(O)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706946,6.04
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706943,6.24
+COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL3706942,6.2
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL3706940,6.15
+CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1170,9.6
+COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C,CHEMBL234394,7.44
+Cc1c(N2C[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL234185,7.85
+Cc1c(N2C(C)[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL391770,7.7
+Cc1c(N2C[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL233977,6.72
+Cc1c(N2C(=O)[C@@H]3C[C@H](O)CN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL391769,7.36
+Cc1c(N2C(=O)[C@]3(C)[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL391768,8.09
+Cc1c(N2C(=O)[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL233774,7.54
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL233773,9.35
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,CHEMBL1393,7.4
+COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2C1C1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21,CHEMBL237122,5.05
+C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391439,6.23
+C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235209,6.07
+CC12C[C@@H](O)C(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12,CHEMBL272574,8.62
+CC12C[C@H](O)C(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12,CHEMBL255331,8.14
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12,CHEMBL403039,7.77
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)n4nccc34)C(=O)[C@@H]12,CHEMBL255216,7.74
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12,CHEMBL446626,8.52
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@@H]12,CHEMBL271261,7.57
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@@H]12,CHEMBL271262,7.77
+COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)CCC3(C)O2)ccc1-c1cnco1,CHEMBL403061,7.92
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3cnc(C#N)c(Cl)c3)C(=O)[C@@H]12,CHEMBL403213,8.4
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL403214,7.77
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12,CHEMBL257668,8.52
+CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)CCC3(C)O2)ccc1C#N,CHEMBL272509,8.52
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12,CHEMBL403668,9.0
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL403669,7.77
+CC12CCC(C)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL272510,7.39
+CC12CCC(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL404506,6.39
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,CHEMBL255157,5.39
+N#Cc1ccc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)cc1C(F)(F)F,CHEMBL427721,5.93
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1,CHEMBL271925,5.95
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL271924,6.16
+Cc1cc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)ccc1Cl,CHEMBL255367,7.11
+Cc1ccc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)cc1Cl,CHEMBL437214,6.31
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1,CHEMBL270450,6.42
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1,CHEMBL270586,6.66
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12,CHEMBL402930,7.28
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL402807,8.52
+CC(C)(C)OC(=O)N1CC2CC1[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL404315,7.4
+O=C1[C@H]2C3CCC(C3)N2C(=O)N1c1cccc(C(F)(F)F)c1,CHEMBL255776,7.68
+Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12,CHEMBL258241,6.0
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C(F)(F)F)c3c1OC2,CHEMBL402136,7.57
+O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1ccccc1CO3,CHEMBL450334,8.1
+O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1,CHEMBL257751,8.52
+COc1cccc2c(=O)oc3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12,CHEMBL403219,7.3
+O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1c(O)cccc1OC3,CHEMBL253535,8.89
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C(F)(F)F)c3c1CO2,CHEMBL401629,7.96
+C=CCC1Oc2cccc(OC)c2-c2ccc3[nH]c(=O)cc(C)c3c21,CHEMBL258384,5.8
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1C(C)O2,CHEMBL253744,6.6
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1C(OC)O2,CHEMBL253746,5.63
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1C(O)O2,CHEMBL258190,5.89
+COc1c(O)ccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1CO2,CHEMBL427731,8.3
+Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3,CHEMBL257151,7.59
+COc1cccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1CO2,CHEMBL256947,7.23
+COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,CHEMBL256768,7.68
+CCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1OC,CHEMBL256977,7.21
+COc1c(C(=O)OC(F)(F)F)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,CHEMBL256769,8.0
+COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,CHEMBL427898,8.4
+Cc1cc(=O)[nH]c2ccc3c4c(C(=O)OC(C)(C)C)cccc4oc(=O)c3c12,CHEMBL401711,8.06
+COc1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,CHEMBL450933,7.55
+COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1,CHEMBL258397,6.21
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,CHEMBL259820,6.04
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258191,7.24
+COc1ccc2cc[nH]c2c1-c1cc(C)c2c(c1Cl)C(C)CC(C)(C)N2,CHEMBL253745,5.82
+Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL429842,7.3
+Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL257152,6.11
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](CO)N3CC(F)(F)F,CHEMBL404512,7.82
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](C(F)(F)F)N3CC(F)(F)F,CHEMBL257988,6.55
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](C(F)(F)F)N3CC(F)(F)F,CHEMBL401805,8.23
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F,CHEMBL256330,8.08
+Cc1cccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1,CHEMBL257387,6.74
+Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1,CHEMBL257379,8.96
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](c1ccccc1)N3CC(F)(F)F,CHEMBL404222,6.82
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](c1ccccc1)N3CC(F)(F)F,CHEMBL402835,8.89
+CSCC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL404483,8.62
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](CC(F)(F)F)N3CC(F)(F)F,CHEMBL256284,7.74
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)F)N3CC(F)(F)F,CHEMBL256326,8.18
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](CF)N3CC(F)(F)F,CHEMBL254798,7.49
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](CF)N3CC(F)(F)F,CHEMBL429311,8.59
+N#CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL256126,7.74
+COC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL404568,6.96
+COC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL402039,8.03
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](CO)N3CC(F)(F)F,CHEMBL436644,7.66
+O=C(c1cccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)N1CCCC1,CHEMBL482064,6.43
+O=C(c1ccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1,CHEMBL482063,6.47
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1,CHEMBL520428,6.96
+CCN(CC)C(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C,CHEMBL481139,7.0
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O,CHEMBL480162,6.66
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O,CHEMBL519112,7.12
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1CO,CHEMBL480960,6.77
+CCOC(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C,CHEMBL521251,6.74
+COC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1,CHEMBL480959,6.74
+CC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1,CHEMBL479988,6.85
+Cn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1,CHEMBL521249,6.57
+Cn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1,CHEMBL480955,6.89
+Cn1cc(N(Cc2ccccc2)c2ccccc2[N+](=O)[O-])cc1C(=O)N1CCCC1,CHEMBL520603,5.89
+Cn1cc(N(Cc2ccc(CO)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL481746,5.74
+Cn1cc(N(Cc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL480934,6.14
+Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1,CHEMBL481939,6.09
+Cn1cc(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL481107,6.1
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL518945,6.96
+Cn1cc(N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL519780,6.28
+CC(C)N(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481356,5.47
+CCN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481355,5.7
+CN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481350,5.44
+Cc1cc(C)cc(N(Cc2ccc(CO)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL481686,5.66
+Cc1cc(C)cc(N(Cc2ccc(O)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL481515,6.16
+Cc1cc(C)cc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL481514,6.46
+Cc1cc(C)cc(N(CC2CCCCC2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL519450,6.31
+Cc1cc(C)cc(N(c2cc(C(=O)N3CCCC3)n(C)c2)C(C)C)c1,CHEMBL516752,5.57
+CCN(c1cc(C)cc(C)c1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481152,5.57
+Cc1cc(C)cc(N(C)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL480183,5.21
+Cn1cc(Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL516610,5.31
+Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL444991,5.51
+Cc1c(/N=C2\OC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484919,9.1
+Cc1c(/N=C2\OC[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL520174,9.52
+Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484726,9.52
+Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484727,9.7
+Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL521329,8.64
+Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484728,9.52
+Cc1c(/N=C2\O[C@@H](C(C)C)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483745,9.15
+Cc1c(NC2=NC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483746,8.0
+Cc1c(/N=C2\N(C)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL519169,8.72
+Cc1c(/N=C2\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483941,7.72
+Cc1c(N2C(NC#N)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL482549,7.77
+C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL514646,5.13
+CC12CC(C)(C(=O)Nc3nccs3)C(c3ccccc31)c1ccccc12,CHEMBL474189,5.54
+CC12CC(C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12,CHEMBL514630,5.03
+C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL333745,8.78
+CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,CHEMBL125236,8.4
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL124718,8.21
+C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL512283,8.77
+C[C@@]1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1,CHEMBL242469,6.2
+N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c2ccccc12,CHEMBL3084525,8.3
+CN(C)C1CC(C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL467887,7.83
+C=C[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,CHEMBL467790,8.96
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL384467,5.85
+CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1,CHEMBL522172,5.82
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1164379,7.98
+N#Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1163602,8.64
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,CHEMBL1163604,7.74
+COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1,CHEMBL1163595,5.34
+COc1cc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1163643,6.31
+COc1cc(C(CC(=O)c2cccc(C)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1163975,5.82
+COc1cc(C(CC(=O)c2cccc(F)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1165799,5.5
+Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1,CHEMBL1163976,7.19
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(F)c1,CHEMBL1164485,7.29
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1163598,7.02
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Cl)c1,CHEMBL1163597,6.96
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Br)c1,CHEMBL1163645,6.91
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccccc1,CHEMBL1163646,7.2
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(F)cc1,CHEMBL1163644,7.52
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Cl)cc1,CHEMBL1163746,7.74
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Br)cc1,CHEMBL1163747,7.41
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1,CHEMBL1165642,6.38
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1,CHEMBL1163902,6.0
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1,CHEMBL1163620,6.55
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)c1cccc(Cl)c1,CHEMBL1163717,6.31
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1,CHEMBL1163625,5.88
+N#Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163822,6.05
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1163899,6.49
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1,CHEMBL1164856,6.2
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1164858,6.94
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1165483,7.43
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1,CHEMBL1164752,7.46
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)cc1,CHEMBL1163480,7.35
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(F)cc1,CHEMBL1163481,7.19
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1cccc(F)c1,CHEMBL1163485,7.19
+COc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)c1,CHEMBL1163484,6.39
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1,CHEMBL1163529,6.85
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccccc1,CHEMBL1165353,7.13
+Cc1ccc(C(=O)CC(Nc2cccc([N+](=O)[O-])c2)c2cccc(F)c2)cc1,CHEMBL1164339,6.69
+Cc1ccc(C(=O)CC(Nc2ccc(F)cc2)c2cccc(F)c2)cc1,CHEMBL1163588,6.49
+Cc1ccc(C(=O)CC(Nc2ccc(F)c(F)c2)c2cccc(F)c2)cc1,CHEMBL1163585,5.92
+Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1165497,7.62
+Cc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1164158,6.47
+C[C@]12CNC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1208812,7.68
+CN1C(=O)[C@@]2(C)O[C@@](C)(C1=O)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210840,7.7
+C[C@@]12O[C@@](C)(C(=O)N(CC3CC3)C1=O)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210841,7.3
+CC(C)[N+]1([O-])C(=O)[C@@]2(C)O[C@@](C)(C1=O)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210843,5.44
+CC(C)N1C(=O)[C@@]2(C)O[C@@](C)(C1=O)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210908,7.85
+C[C@]12CN(O)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210909,7.43
+CON1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210910,8.43
+CCCN1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209903,7.85
+CCC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209904,7.08
+CC(C)C(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209905,7.41
+C[C@]12CN(C(=O)C3CC3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209906,7.44
+C[C@]12CN(C(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209970,7.64
+CCOC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209973,8.24
+CCCOC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210033,8.18
+CC(C)OC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210842,7.96
+CCNC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210907,6.75
+CC(C)NC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209971,7.01
+C[C@]12CN(C(=O)Nc3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209972,7.4
+C[C@]12CN(C(=O)Nc3ccc(F)cc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210034,7.54
+C[C@]12CN(S(C)(=O)=O)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210035,7.25
+CCS(=O)(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210036,7.8
+C[C@]12CN(S(=O)(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210090,7.92
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+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@]2(C)COC)cc1F,CHEMBL3588961,7.39
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)CO)cc1F,CHEMBL3588965,7.36
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]2C)cc1F,CHEMBL3588959,7.02
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]2C)cc1F,CHEMBL3589391,6.32
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2C)cc1F,CHEMBL3589390,6.59
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605919,6.63
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12,CHEMBL3605921,5.38
+COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12,CHEMBL3605922,5.21
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1,CHEMBL3605923,5.39
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1,CHEMBL3605924,5.95
+CS(=O)(=O)Nc1cccc2cc[nH]c12,CHEMBL3605925,6.45
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)(C)C)cc12,CHEMBL3605926,6.64
+COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605927,6.16
+COc1ccc(F)cc1-c1c(-c2ccccc2)[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605928,6.04
+COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12,CHEMBL3605929,5.95
+COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605930,6.16
+CS(=O)(=O)Nc1cccc2c(-c3cccc(Cl)c3)c[nH]c12,CHEMBL3605932,7.04
+COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605933,6.4
+CS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12,CHEMBL3605934,6.3
+C[C@@]12C[C@H](O)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12,CHEMBL3623114,8.1
+C[C@@]12C[C@@H](C(=O)O)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623115,5.8
+CC(C)OC(=O)[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623116,7.64
+CN(C(=O)[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12)c1ccccc1,CHEMBL3623117,7.3
+C[C@@]12C[C@@H](N)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623118,7.51
+CCC(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623119,8.52
+CNS(=O)(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623120,7.3
+CC(C)NC(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623121,7.51
+CN1CCN(OC(=O)N[C@@H]2C[C@]3(C)O[C@]2(C)[C@@H]2C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)[C@@H]23)CC1,CHEMBL3623122,8.15
+C[C@@]12C[C@@H](NS(C)(=O)=O)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623123,7.92
+C[C@@]12C[C@@H](NS(=O)(=O)c3ccccc3)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623124,8.0
+C[C@@]12C[C@@H](NS(=O)(=O)c3ccccc3F)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623125,9.0
+C[C@@]12C[C@@H](NS(=O)(=O)c3cccnc3)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623126,8.7
+CCS(=O)(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623127,8.77
+Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764446,8.28
+Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765823,7.77
+Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765171,9.17
+Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764185,8.69
diff --git a/chembl_200/CHEMBL1875.csv b/chembl_200/CHEMBL1875.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b8e38b863f5b6f94467ee64a307b5b7541a8c73c
--- /dev/null
+++ b/chembl_200/CHEMBL1875.csv
@@ -0,0 +1,386 @@
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,6.42
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,5.4
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,5.62
+COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1N1CCNCC1,CHEMBL154274,5.5
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,5.4
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,5.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,5.5
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,5.4
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,5.72
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,5.3
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,5.8
+CCCCN1CCC(COC(=O)c2cc(I)c(N)c3c2OCCO3)CC1,CHEMBL114112,8.66
+CC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21,CHEMBL99591,7.04
+CC(C)N1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1,CHEMBL97019,7.975
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,6.4
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,6.6
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,7.54
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,5.77
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,5.74
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,5.9
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL328918,8.15
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNc2ccc([N+](=O)[O-])c3nonc23)CC1,CHEMBL89225,8.12
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1,CHEMBL85125,7.19
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL327999,7.49
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL312940,5.76
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL156206,6.74
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL315590,7.62
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL86624,6.74
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCCCCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL315526,7.02
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL86777,7.51
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCN2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)CC1,CHEMBL88355,7.23
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL433149,6.58
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL90559,7.11
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)CC1,CHEMBL87063,6.74
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL86985,6.94
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(Cl)nn2)CC1,CHEMBL330848,8.7
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccn2)CC1,CHEMBL332553,8.82
+COc1cccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1,CHEMBL334325,8.52
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccncc2)CC1,CHEMBL122914,8.46
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL333028,7.64
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2OC)CC1,CHEMBL121766,7.19
+COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCN(c2ccccc2)CC1,CHEMBL2112621,7.94
+COc1ccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1,CHEMBL339936,7.75
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL124485,6.15
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2F)CC1,CHEMBL421256,7.77
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2Cl)CC1,CHEMBL125670,6.53
+CCOC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1,CHEMBL122818,7.64
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(Cc2ccccc2)CC1,CHEMBL420166,6.62
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cncnc2)CC1,CHEMBL125926,8.04
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL331264,6.7
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cnccn2)CC1,CHEMBL121776,8.85
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL127876,6.79
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccnn2)CC1,CHEMBL331396,8.85
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cnc(Cl)nc2)CC1,CHEMBL125716,8.01
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL180830,10.0
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(Cc3cccnc3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL181415,9.8
+CS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL179799,9.5
+CCCS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL360245,10.0
+CC(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL179833,9.9
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL367354,10.5
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL360449,10.1
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCCCC2)CC1)c1cccc2c1OCCO2,CHEMBL181928,9.7
+CC1(C)CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL178285,9.9
+CCCC1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL180201,10.2
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCC3(CCCC3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL361118,10.6
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1)c1cccc2c1OCCO2,CHEMBL362582,9.4
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCNCC2)CC1)c1cccc2c1OCCO2,CHEMBL180697,9.8
+CN1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL180632,9.6
+CCN1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL424790,10.3
+CCCN1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL181126,10.5
+CC(C)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL182999,10.5
+CCC(C)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL181202,10.6
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL180835,10.8
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL180680,10.3
+O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1)c1cccc2c1OCCO2,CHEMBL360531,9.6
+CC(=O)N1CCN(S(=O)(=O)CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1,CHEMBL178669,9.9
+CCCCN1CCC(CNC(=O)c2cccc3c2OCCO3)CC1,CHEMBL182590,9.1
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCOCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL371707,7.72
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCOCCOCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL198271,8.52
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCCOCCOCCOCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL370796,8.22
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCN)CC1,CHEMBL197965,7.89
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL2113157,7.62
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL2113158,7.51
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1,CHEMBL198719,8.15
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL390075,7.7
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL197751,7.68
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1,CHEMBL197752,8.3
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1,CHEMBL370227,8.05
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1,CHEMBL199150,7.8
+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,CHEMBL2113159,7.43
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+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,5.1
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+COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL488325,8.7
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+COc1ccc2[nH]c(=O)n(C(=O)N[C@H]3C[C@@H]4CC[C@H](C3)N4C)c2c1,CHEMBL3084582,7.2
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+C[C@@]12CCCN1CC[C@H]2CNC(=O)c1cc(Cl)cc2nc[nH]c12,CHEMBL472219,8.85
+COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1,CHEMBL83954,7.5
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+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCC[C@@H]2C(N)=O)cc2ccccc21,CHEMBL558855,7.3
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+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCOCC2)cc2ccccc21,CHEMBL549650,7.4
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+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCCCC2)cc2ccccc21,CHEMBL561398,8.2
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+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2,CHEMBL556438,6.8
+COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1,CHEMBL539652,6.5
+COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1,CHEMBL541969,5.8
+COc1cc(N)c(Cl)cc1C(=O)NCCN1CCNCC1,CHEMBL539212,5.9
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc2ccccc21,CHEMBL556235,6.6
+CC(C)n1c(=O)c(C(=O)NCC2CCNCC2)cc2ccccc21,CHEMBL551535,6.1
+CC(C)n1c(=O)c(C(=O)NC2CCNCC2)cc2ccccc21,CHEMBL551614,5.5
+CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccccc21,CHEMBL550064,7.2
+CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21,CHEMBL552796,8.1
+CC(C)n1nc(C(=O)NC2CCNCC2)c2ccccc21,CHEMBL61130,6.4
+CC(C)n1c(=O)n(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccccc21,CHEMBL551820,6.5
+CC(C)n1c(=O)n(C(=O)NCC2CCNCC2)c2ccccc21,CHEMBL560940,7.4
+CC(C)n1c(=O)n(C(=O)NC2CCNCC2)c2ccccc21,CHEMBL553658,5.8
+CC(C)n1c(=O)n(C(=O)NCCN2CCNCC2)c2ccccc21,CHEMBL550459,6.9
+COc1ccc2[nH]cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4)c2c1,CHEMBL551743,5.5
+COc1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1,CHEMBL570780,5.4
+COc1ccc2[nH]cc(C(=O)NC3CCNCC3)c2c1,CHEMBL558757,5.5
+COc1ccc2[nH]cc(C(=O)NCCN3CCNCC3)c2c1,CHEMBL553688,6.5
+CCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1,CHEMBL570074,6.0
+CCCCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1,CHEMBL557053,7.0
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+CCCCCN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2,CHEMBL551941,7.2
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+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCO)CC1,CHEMBL562477,6.7
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCO)CC1,CHEMBL552693,7.2
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCO)CC1,CHEMBL555447,7.1
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCO)cc2ccccc21,CHEMBL552420,6.9
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCO)cc2ccccc21,CHEMBL563261,7.2
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCCO)cc2ccccc21,CHEMBL560876,7.3
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL563276,5.1
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL557867,7.7
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL559548,7.4
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+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCS(=O)(=O)O)CC1,CHEMBL560597,4.6
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCS(=O)(=O)O)CC1,CHEMBL551678,5.2
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCS(=O)(=O)O)CC1,CHEMBL549998,4.8
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCS(=O)(=O)O)cc2ccccc21,CHEMBL552075,6.0
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+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCCS(=O)(=O)O)cc2ccccc21,CHEMBL550122,7.2
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCCCC2)CC1,CHEMBL563445,6.6
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1,CHEMBL562902,8.0
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCCCC2)CC1,CHEMBL562636,8.5
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCCCC2)cc2ccccc21,CHEMBL558259,7.1
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCN2CCCCC2)cc2ccccc21,CHEMBL558719,8.3
+CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCCN2CCCCC2)cc2ccccc21,CHEMBL538706,8.5
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCN(S(C)(=O)=O)CC2)CC1,CHEMBL550530,6.9
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCN(S(C)(=O)=O)CC2)CC1,CHEMBL558924,7.4
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCN(S(C)(=O)=O)CC2)CC1,CHEMBL558261,7.8
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+Cn1cc2c(OCC3CCN(CCc4ccccc4C(=O)O)CC3)nc3ccccc3c2c1,CHEMBL2179673,6.7
+Cn1cc2c(OCC3CCN(CCc4ccc(C(=O)O)cc4)CC3)nc3ccccc3c2c1,CHEMBL2179674,8.7
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+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(C(=O)O)cc3)CC2)c2ccccc21,CHEMBL2179707,9.1
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diff --git a/chembl_200/CHEMBL1889.csv b/chembl_200/CHEMBL1889.csv
new file mode 100644
index 0000000000000000000000000000000000000000..dc796a62271b1ef35c72b11a52e5a6bd6dbd8104
--- /dev/null
+++ b/chembl_200/CHEMBL1889.csv
@@ -0,0 +1,535 @@
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+O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1,CHEMBL443498,6.89
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+O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl,CHEMBL318392,6.21
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+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1,CHEMBL106229,6.05
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+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCCCC1,CHEMBL87455,7.86
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+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1,CHEMBL87887,8.35
+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CCN(C)CC1,CHEMBL86936,8.04
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+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1,CHEMBL86384,8.39
+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(OCCCCCCN2CCN(C)CC2)c1,CHEMBL330510,6.67
+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1,CHEMBL89552,8.98
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+COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1,CHEMBL329026,5.72
+COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1,CHEMBL432043,5.47
+Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1,CHEMBL330494,4.85
+O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1,CHEMBL96255,5.85
+O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1,CHEMBL330094,4.96
+COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1,CHEMBL314290,5.89
+O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1,CHEMBL329141,5.72
+O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1,CHEMBL93603,6.15
+O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1,CHEMBL421180,4.85
+O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1,CHEMBL330005,6.39
+O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1,CHEMBL90657,6.31
+O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1,CHEMBL328791,6.96
+COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O,CHEMBL281243,5.8
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL31065,5.9
+CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1,CHEMBL283894,5.8
+O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL32404,5.4
+COc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1,CHEMBL439430,6.94
+COc1ccc(C[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1,CHEMBL265137,7.74
+COc1ccc(C[C@@H](NC(=O)C(N)Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1,CHEMBL1161782,6.34
+N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL1161780,6.83
+CC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL408657,5.83
+N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL410401,8.6
+N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL1161783,7.7
+CC(=O)N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL410673,7.62
+N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O,CHEMBL264101,9.1
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL1254117,5.85
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113189,6.14
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1,CHEMBL2113200,6.21
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113196,5.96
+COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1,CHEMBL2113195,5.89
+O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO,CHEMBL2113181,7.03
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113179,6.21
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113177,6.24
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113201,7.19
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113185,6.88
+CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113203,6.75
+COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113211,5.93
+COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113208,6.29
+Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL2113205,5.16
+CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL2113216,5.43
+COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL2113215,6.36
+CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113213,5.31
+CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113212,5.67
+CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113210,5.4
+CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113209,5.86
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113207,6.21
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113204,6.29
+COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1OC,CHEMBL371223,6.22
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1,CHEMBL383149,5.8
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1,CHEMBL198622,6.24
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1,CHEMBL197378,5.8
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1,CHEMBL427190,5.74
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1,CHEMBL200368,5.73
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1,CHEMBL200329,5.49
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1,CHEMBL372122,6.19
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1,CHEMBL2113202,5.44
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113198,6.33
+Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1,CHEMBL381433,6.49
+COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1,CHEMBL373167,6.94
+COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1,CHEMBL200682,7.15
+COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1,CHEMBL114302,6.52
+C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O,CHEMBL196816,6.22
+Cc1ccn(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)n1,CHEMBL363910,6.46
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL395579,7.52
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL242728,7.48
+CC(C)N1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL244389,7.89
+CCCCN1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL397186,7.98
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL241305,8.23
+O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL245115,8.35
+O=C(NCc1ccccc1C(F)(F)F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL394867,9.03
+O=C(NCc1cc(F)cc(F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL438319,9.09
+O=C(NCc1cccc(Cl)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL446720,9.18
+O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL394866,9.29
+O=C(NCc1cc(C(F)(F)F)ccc1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL397185,9.39
+O=C(NCc1cccc(Cl)c1Cl)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL411179,9.42
+O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL397179,9.7
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL411960,8.0
+O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCCN1CCCCC1,CHEMBL427816,8.05
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL439462,8.71
+CCCN1CCN(C(=O)CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL396955,8.92
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL411629,8.84
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL427810,8.93
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(CC2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL396954,9.34
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL411757,9.57
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL409562,7.56
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL409561,8.1
+NC1CC[N+](Cc2ccccc2)(C(=O)C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL389360,8.25
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(CN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL409370,8.43
+O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL389359,8.83
+O=C(C[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCc1cccc(C(F)(F)F)c1,CHEMBL388701,5.21
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL244227,7.52
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(N2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL389828,7.52
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL245072,8.29
+N[C@H]1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)C1,CHEMBL388258,8.44
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL394830,8.72
+NC1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL394829,8.95
+NCCC1CCCCN1C(=O)C(C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL396758,7.21
+O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCN(C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL396757,7.58
+CC(C)N1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL396756,7.74
+NC1CC[N+](Cc2ccccc2)(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL389139,7.88
+O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL439398,8.47
+O=C(NCc1cccc(C(F)(F)F)c1)C(C(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL241826,8.93
+C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1,CHEMBL244243,8.9
+CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL279328,9.18
+C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1,CHEMBL395817,9.52
+CCCCN1CCN(C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1,CHEMBL395778,8.19
+C[C@@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1,CHEMBL241886,6.75
+C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1,CHEMBL397026,8.06
+O=C(NCc1cccc(C(F)(F)F)c1F)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1,CHEMBL397025,8.95
+CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O,CHEMBL1161978,10.05
+CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1,CHEMBL1161979,8.68
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240,8.62
+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1,CHEMBL467154,7.55
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1,CHEMBL466762,6.14
+COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511215,6.36
+COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1,CHEMBL469005,5.37
+COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511917,5.62
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1,CHEMBL467545,6.69
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1,CHEMBL467378,6.41
+COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1,CHEMBL512105,5.49
+COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511265,5.91
+COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1,CHEMBL467186,6.88
+COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1,CHEMBL512257,7.36
+COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1,CHEMBL467185,6.57
+COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1,CHEMBL467184,6.28
+COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL515111,6.1
+N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL475561,5.4
+Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1,CHEMBL514031,5.7
+O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1,CHEMBL447916,5.4
+Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1,CHEMBL474621,8.5
+Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL482323,8.6
+COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL482321,7.9
+Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1,CHEMBL521444,7.3
+O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL482322,7.1
+O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL480546,8.4
+N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL480584,6.8
+O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL520595,6.3
+COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL481568,5.8
+Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL481569,7.6
+O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1,CHEMBL481730,5.1
+O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1,CHEMBL515447,5.4
+COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL474609,5.0
+CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C,CHEMBL491422,5.42
+CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl,CHEMBL489386,5.54
+CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C,CHEMBL489387,6.67
+CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C,CHEMBL522255,5.77
+CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1,CHEMBL492029,6.245
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1,CHEMBL515660,7.3
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1,CHEMBL458634,7.6
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1,CHEMBL458635,7.8
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1,CHEMBL457544,7.3
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1,CHEMBL456263,7.2
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1,CHEMBL528996,7.59
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnc4)c4ccccc43)c(Cl)c2)n1,CHEMBL486064,7.4
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncc4)c4ccccc43)c(Cl)c2)n1,CHEMBL486268,7.82
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccc4)c4ccccc43)c(Cl)c2)n1,CHEMBL520040,7.37
+Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1,CHEMBL473872,7.52
+COc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1,CHEMBL509183,7.33
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1,CHEMBL474072,7.42
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N(C)C)n4)c4ccccc43)c(Cl)c2)n1,CHEMBL455279,7.32
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1,CHEMBL446566,7.66
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cnccn4)c4ccccc43)c(Cl)c2)n1,CHEMBL474274,7.24
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1,CHEMBL475684,7.37
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncn4)c4ccccc43)c(Cl)c2)n1,CHEMBL514772,7.36
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nccs4)c4ccccc43)c(Cl)c2)n1,CHEMBL477868,7.37
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5s4)c4ccccc43)c(Cl)c2)n1,CHEMBL449517,7.26
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5[nH]4)c4ccccc43)c(Cl)c2)n1,CHEMBL510500,7.14
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccco4)c4ccccc43)c(Cl)c2)n1,CHEMBL477456,7.14
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1,CHEMBL478902,5.2
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(N)=O)c4ccccc43)c(Cl)c2)n1,CHEMBL478082,6.72
+CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F,CHEMBL478083,7.89
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1,CHEMBL478283,7.55
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1,CHEMBL490049,7.23
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)O)c4ccccc43)c(Cl)c2)n1,CHEMBL490249,6.64
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1,CHEMBL521597,7.4
+O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL577816,5.21
+O=C(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL575359,5.44
+O=C(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL575574,5.16
+O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1CCCN1CCC(NCc2cccs2)CC1,CHEMBL567176,5.34
+O=S(=O)(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL572921,5.06
+O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL575986,5.3
+O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,CHEMBL575972,5.25
+CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1,CHEMBL574450,5.05
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1,CHEMBL583081,6.14
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1,CHEMBL583082,7.48
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(OC)c1,CHEMBL583083,6.72
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccc(F)cc3)CC2)c(OC)c1,CHEMBL572760,6.4
+COc1ccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1,CHEMBL583084,5.31
+COc1cccc(CNC2CCN(S(=O)(=O)CCC3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1,CHEMBL572983,5.59
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1,CHEMBL572835,5.32
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1,CHEMBL572984,6.31
+CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1,CHEMBL575987,5.9
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCC(C)C)CC2)c(OC)c1,CHEMBL575796,6.02
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CC3)CC2)c(OC)c1,CHEMBL575797,5.9
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1,CHEMBL576341,6.15
+COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCOCC3)CC2)c(OC)c1,CHEMBL572754,6.26
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1,CHEMBL592250,6.9
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1,CHEMBL592493,7.67
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1,CHEMBL592494,6.95
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1,CHEMBL606976,6.76
+COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1,CHEMBL592495,7.61
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1,CHEMBL603205,5.74
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1,CHEMBL592731,6.13
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1,CHEMBL591310,6.03
+COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1,CHEMBL590097,6.59
+COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1,CHEMBL592732,6.23
+COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1,CHEMBL609848,6.0
+COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1,CHEMBL592733,6.28
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1,CHEMBL590099,5.71
+COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL590349,5.87
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1,CHEMBL589125,5.615
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1,CHEMBL594591,6.22
+COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1,CHEMBL602641,5.77
+COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1,CHEMBL589128,6.14
+COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL594828,5.95
+C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1,CHEMBL593325,7.37
+C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1,CHEMBL594026,7.77
+C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1,CHEMBL594488,7.41
+C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1,CHEMBL606464,7.89
+Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1,CHEMBL594953,6.77
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1,CHEMBL602872,7.43
+Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL602671,6.2
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N(C)C,CHEMBL603075,6.77
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCCC1,CHEMBL602871,6.78
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL360648,6.48
+Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1,CHEMBL605373,7.74
+Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1,CHEMBL601931,7.57
+COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1,CHEMBL1092499,5.89
+COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1,CHEMBL1090417,6.11
+COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1,CHEMBL1089682,5.96
+CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1,CHEMBL1089025,5.64
+COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1,CHEMBL1093365,5.48
+COc1ccc(N(C)C(=O)c2cnc(-c3ccc(F)cc3C)cn2)cn1,CHEMBL1093366,5.7
+CCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1,CHEMBL1094002,5.14
+COCCN(C(=O)c1cnc(-c2ccc(C#N)cc2C)cn1)c1ccc(OC)nc1,CHEMBL1092457,4.92
+CCN(C(=O)c1cnc(-c2cccc(F)c2C)cn1)c1ccc(OC)nc1,CHEMBL1092458,5.23
+Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2,CHEMBL1755,9.37
+Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1,CHEMBL1083094,10.3
+Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1,CHEMBL1083095,7.19
+Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1,CHEMBL1086272,9.51
+Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1,CHEMBL1084822,7.96
+Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C,CHEMBL1084823,10.22
+Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C,CHEMBL1084824,7.44
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1C,CHEMBL1084307,7.7
+COc1cc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)ccc1-c1ccccc1C,CHEMBL1084308,7.34
+COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2,CHEMBL1084825,9.27
+COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2,CHEMBL1083730,7.6
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(C)cccc1C,CHEMBL1083731,9.22
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1Oc1ccccc1,CHEMBL1083732,7.65
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1,CHEMBL1086052,8.59
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc(Cl)ccc1C,CHEMBL1086053,8.56
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1,CHEMBL1086293,8.4
+CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1,CHEMBL1086294,8.99
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1,CHEMBL1084325,9.43
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(-c2ccccc2)c1,CHEMBL1084326,7.88
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1,CHEMBL1083443,8.35
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C,CHEMBL1083444,8.65
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1,CHEMBL1085299,9.1
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Oc2ccccc2)cc1,CHEMBL1085300,7.23
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12,CHEMBL1085301,8.42
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(-c2ccccc2)oc2ccccc12,CHEMBL1085548,5.3
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc2ccccc2s1,CHEMBL1084801,8.42
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12,CHEMBL1083703,9.1
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2c1oc1ccccc12,CHEMBL1083704,7.41
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12,CHEMBL1084008,10.0
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12,CHEMBL1084111,8.27
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1,CHEMBL1084112,7.77
+COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1,CHEMBL1084386,6.98
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl,CHEMBL1082493,8.97
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1,CHEMBL1086068,8.24
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12,CHEMBL1086069,7.63
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12,CHEMBL1086070,9.15
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1/C=C/c1ccccc1,CHEMBL1083254,7.29
+COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(-c2ccccc2)s1,CHEMBL1084864,7.04
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1,CHEMBL1083765,7.39
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3csc4ccccc34)cc2Cl)C1,CHEMBL1084069,6.5
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1,CHEMBL1084070,7.28
+COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2,CHEMBL1082835,7.06
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4csc5ccccc45)c4ccccc34)cc2Cl)C1,CHEMBL1085624,6.95
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1,CHEMBL1085850,7.02
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3cccc4ccccc34)cc2Cl)C1,CHEMBL1085851,6.35
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1,CHEMBL1085123,7.02
+COc1cc(-c2cccc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2,CHEMBL1085378,6.82
+CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2Cl)c1,CHEMBL1084085,6.73
+CC(=O)Nc1cccc(-c2cc(Cl)c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2Cl)c1,CHEMBL1084086,5.3
+CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1,CHEMBL1084455,6.94
+COc1cc(-c2cccc(NC(C)=O)c2)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2,CHEMBL1084362,6.75
+CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(Cl)c3)c3ccccc23)c1,CHEMBL1084456,7.03
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1,CHEMBL1083479,7.47
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cc(Cl)c(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1,CHEMBL1083480,7.2
+CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1,CHEMBL1086574,7.41
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+CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1,CHEMBL2017868,6.28
+CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1,CHEMBL2017869,5.06
+COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2017979,5.32
+CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21,CHEMBL2172290,5.76
+CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21,CHEMBL2172289,6.21
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1,CHEMBL420762,6.71
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1,CHEMBL119793,8.09
+COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1,CHEMBL2370569,9.41
+CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C,CHEMBL2391300,6.21
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,5.25
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1,CHEMBL3416768,7.32
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCS(=O)c3ccccc32)cc1,CHEMBL3416769,6.04
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@](=O)c3ccccc32)cc1,CHEMBL3416770,6.26
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCS(=O)c3c(C)cccc32)cc1,CHEMBL3416772,6.06
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@](=O)c3c(C)cccc32)cc1,CHEMBL3416773,6.18
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1,CHEMBL3416774,8.16
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1,CHEMBL3416766,7.17
+CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21,CHEMBL3416885,9.0
+CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1,CHEMBL3416884,8.4
+CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21,CHEMBL3416883,9.0
+O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12,CHEMBL3416882,8.85
+CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21,CHEMBL3416881,9.3
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccccc2Cl)CC1,CHEMBL3416880,6.93
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1,CHEMBL3416879,7.64
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL3416878,8.1
+O=C1Nc2ccccc2C2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)O1,CHEMBL3416877,7.49
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O,CHEMBL3416876,7.62
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12,CHEMBL3416875,7.57
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)COc1ccccc12,CHEMBL3416874,7.8
+O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21,CHEMBL3416873,8.3
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12,CHEMBL3416872,7.41
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12,CHEMBL3416871,8.05
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12,CHEMBL3416870,8.3
+CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21,CHEMBL3416869,8.7
+CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1,CHEMBL3416868,9.0
+O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12,CHEMBL3416867,7.49
+Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1S(=O)(=O)c1ccccc1,CHEMBL3416866,5.3
+Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1C(=O)c1ccccc1,CHEMBL3416865,5.41
+Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1,CHEMBL3416864,6.53
+O=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1,CHEMBL3416862,5.18
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12,CHEMBL3416861,8.4
+Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1,CHEMBL3416860,8.7
+CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12,CHEMBL3416859,7.09
+CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1,CHEMBL3416858,5.55
+Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1,CHEMBL3416757,7.74
+COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1,CHEMBL3763951,7.21
+Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2,CHEMBL3764572,6.33
+Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2,CHEMBL3765525,6.35
+Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2,CHEMBL3763217,6.89
+Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2,CHEMBL3763823,7.19
+COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1,CHEMBL3763620,6.39
+COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1,CHEMBL3765356,6.58
+COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1,CHEMBL3763174,6.71
+COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1,CHEMBL3765689,6.61
diff --git a/chembl_200/CHEMBL1898.csv b/chembl_200/CHEMBL1898.csv
new file mode 100644
index 0000000000000000000000000000000000000000..772c390cdd65ff4077b4a40d5b950e9e8a2ec10d
--- /dev/null
+++ b/chembl_200/CHEMBL1898.csv
@@ -0,0 +1,759 @@
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C,CHEMBL282693,8.6
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1,CHEMBL15933,7.5
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CCO5)cc3)c(C)c2)no1,CHEMBL20791,8.6
+Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1,CHEMBL281350,8.067
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1,CHEMBL21724,8.8
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C,CHEMBL20963,9.0
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C,CHEMBL21790,8.5
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,7.0
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL420997,6.47
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,6.66
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,7.17
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL97650,8.38
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,6.32
+Cn1nnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL330603,7.7
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cn[nH]n4)cc23)CC1,CHEMBL97422,7.51
+Cn1ccnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL318735,7.96
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1,CHEMBL329280,7.35
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,7.25
+Cn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL328940,7.17
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,6.44
+Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL328048,8.23
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,7.32
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,6.7
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,6.96
+CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL330171,6.68
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL421573,7.12
+CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL318249,7.55
+Cn1cnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL327662,7.7
+Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL98299,8.19
+Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL97184,8.55
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,6.25
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,7.44
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL94612,7.85
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,5.11
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,7.96
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,6.38
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,6.72
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,8.19
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,6.04
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1,CHEMBL127411,5.51
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,5.64
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CCN(C)C,CHEMBL118360,7.72
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1/C=C\CN(C)C,CHEMBL2111779,7.965
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1/C=C/CN(C)C,CHEMBL119800,7.8
+CN(C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O,CHEMBL119264,7.885
+COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c2c1,CHEMBL84171,6.5
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2[nH]nc3cc(F)ccc23)CC1,CHEMBL441259,6.68
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccc(F)cc23)CC1,CHEMBL83732,6.68
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2coc3cc(F)ccc23)CC1,CHEMBL82488,6.81
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1,CHEMBL81191,6.82
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2nsc3cc(F)ccc23)CC1,CHEMBL444843,6.7
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2cccc3ccccc23)CC1,CHEMBL79693,7.14
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1169435,6.41
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL83617,6.597
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL310744,6.51
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2noc3cc(F)ccc23)CC1,CHEMBL79853,6.81
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2csc3cc(F)ccc23)CC1,CHEMBL81703,6.73
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)C1,CHEMBL79725,7.02
+NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1159649,6.7
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL79674,6.88
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,5.58
+CN1CCN(c2cccc3ccc(OCCOc4ccc5[nH]cc(CCN)c5c4)cc23)CC1,CHEMBL31217,9.12
+CN1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CCN)c6c5)cc4)cc23)CC1,CHEMBL282950,9.15
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(C(=O)COc5ccc6cccc(N7CCN(C)CC7)c6c5)CC4)cc23)CC1,CHEMBL285402,8.59
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,6.225
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,7.985
+CN1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL30831,8.68
+CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4c3CC(N(CCC)CCC)CC4)c2C1,CHEMBL29951,8.19
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C1CCCCC1,CHEMBL162771,6.89
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C1CCCCC1,CHEMBL348756,7.42
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccccc1,CHEMBL163151,7.4
+O=S(=O)(c1cccc2ccccc12)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL162011,6.39
+COc1ccc(C(=S)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL159278,7.24
+C1=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CCNC1,CHEMBL422192,6.12
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL163516,6.77
+Cc1ccc(C(=O)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL162012,7.2
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL440008,7.19
+COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL349675,6.85
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccc(Cl)cc1,CHEMBL351036,7.44
+Cc1ccc(C(=S)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL162049,7.49
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccc(Cl)cc1,CHEMBL162724,7.09
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccccc1,CHEMBL352181,7.17
+O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL349903,6.96
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1cccc2ccccc12,CHEMBL423789,7.19
+Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL349174,6.85
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1cccc2ccccc12,CHEMBL161894,7.02
+O=S(=O)(c1ccccc1)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL163639,6.36
+COc1ccc(C(=O)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL428991,7.36
+CN(C)CCc1c[nH]c2ccc(C3=CCN(C)CC3)cc12,CHEMBL115415,6.21
+COc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL113994,8.62
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4cccc5ccccc45)CC3)cc12,CHEMBL117397,8.49
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cc12,CHEMBL323666,7.64
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccccc4)CC3)cc12,CHEMBL325175,8.32
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC45CC6CC(CC(C6)C4)C5)CC3)cc12,CHEMBL323705,7.41
+Cc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL114571,8.52
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4cccc5ccccc45)CC3)cc12,CHEMBL113893,8.42
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC4CCCCC4)CC3)cc12,CHEMBL323603,7.85
+Cc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL113950,8.82
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc12,CHEMBL114780,8.42
+COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL115941,7.85
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4ccccc4)CC3)cc12,CHEMBL334259,8.24
+COc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL431866,8.38
+Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL116876,7.77
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)cc12,CHEMBL332484,7.96
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4ccc(Cl)cc4)CC3)cc12,CHEMBL115663,8.82
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC4CCCCC4)CC3)cc12,CHEMBL113868,7.89
+CC(C)(C)c1ccc(CC2=NCCN2)cc1,CHEMBL308727,5.17
+Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1,CHEMBL303441,5.41
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,9.52
+Cc1ccc(CC2=NCCN2)c(C)c1O,CHEMBL72167,5.7
+COc1cccc(CC2=NCCN2)c1,CHEMBL70831,5.79
+Cc1cc(C(C)(C)C)ccc1CC1=NCCN1,CHEMBL70409,6.15
+Cc1cc(Br)cc(C)c1CC1=NCCN1,CHEMBL307408,5.8
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,CHEMBL312448,7.87
+Cc1cc(C(C)(C)C)cc(C)c1CC(=N)N,CHEMBL73281,6.22
+Oc1cccc(CC2=NCCN2)c1,CHEMBL450281,5.43
+CC(C)c1ccc(CC2=NCCN2)cc1,CHEMBL73670,5.56
+Cc1cc(C(C)C)cc(C)c1CC1=NCCN1,CHEMBL308042,7.43
+Cc1cc(C)c(CC2=NCCN2)c(C)c1,CHEMBL72178,5.46
+Cc1ccc(O)c(C)c1CC1=NCCN1,CHEMBL309162,5.24
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,5.97
+NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147901,9.8
+NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12,CHEMBL357830,9.66
+NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL424128,9.3
+NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCCCCCOc5ccc6[nH]cc(CCN)c6c5)cc4)cc3)cc12,CHEMBL342323,9.42
+NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL144397,9.52
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL356277,9.57
+NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL148314,8.77
+NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL343196,8.6
+CC(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL331240,8.48
+NCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL147851,9.96
+NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12,CHEMBL148022,9.49
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL146720,9.44
+NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL144030,10.0
+NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147677,9.7
+NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL144128,9.59
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12,CHEMBL357478,9.85
+CNCCOc1cccc(C)c1C,CHEMBL2112766,6.5
+CCCN(C)CCCOc1ccccc1C1CCCC1,CHEMBL136962,5.92
+CCCN(C)CCOc1ccccc1C1CCCC1,CHEMBL140415,6.37
+CCCNCCOc1cccc2ccccc12,CHEMBL138683,6.7
+NCCOc1cccc2ccccc12,CHEMBL337539,7.0
+CCCCN(CCCC)CCOc1cccc2ccccc12,CHEMBL334465,5.57
+NCCCOc1cccc2ccccc12,CHEMBL342704,6.54
+CC(C)NCCCOc1cccc2ccccc12,CHEMBL139737,5.12
+CNCCOc1cccc2ccccc12,CHEMBL138958,7.59
+CC(C)NCCOc1cccc2ccccc12,CHEMBL138963,6.92
+OCCNCCOc1cccc2ccccc12,CHEMBL336092,6.97
+CNCCOc1ccccc1,CHEMBL136311,5.22
+CN(C)CCOc1cccc2ccccc12,CHEMBL139103,7.03
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,5.39
+CNCCCOc1ccccc1,CHEMBL138509,5.46
+CCCN(C)CCOc1cccc2ccccc12,CHEMBL140417,6.12
+CN(CCOc1cccc2ccccc12)Cc1ccccc1,CHEMBL140416,6.59
+CN(C)CCCCOc1cccc2ccccc12,CHEMBL136470,6.33
+CCNCCOc1cccc2ccccc12,CHEMBL136236,7.18
+CN(C)CCCOc1cccc2ccccc12,CHEMBL138136,6.59
+CC(C)NCCOc1cccc2[nH]ccc12,CHEMBL139230,5.95
+CCCCN(CC)CCOc1cccc2ccccc12,CHEMBL138907,5.91
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1,CHEMBL104753,6.0
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1,CHEMBL105958,6.48
+CC(=O)Nc1ncc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL104158,5.54
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CC4)nc23)CC1,CHEMBL104720,5.77
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL320198,5.22
+COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL321562,6.12
+CN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1,CHEMBL105327,6.21
+Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105025,6.82
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(C#N)c4)nc23)CC1,CHEMBL419547,6.23
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)nc23)CC1,CHEMBL105118,6.41
+CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL323264,7.85
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL103503,7.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc23)CC1,CHEMBL103550,5.8
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCC4)nc23)CC1,CHEMBL420475,6.42
+CN1CCC(c2c[nH]c3ccc(N)nc23)CC1,CHEMBL318105,6.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc23)CC1,CHEMBL104692,6.57
+CN1CCC(c2c[nH]c3ccc(OS(C)(=O)=O)nc23)CC1,CHEMBL105556,7.6
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1,CHEMBL321967,6.19
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4)nc23)CC1,CHEMBL105743,6.09
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL103424,6.41
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1,CHEMBL105091,5.96
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL431041,6.57
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,5.92
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(C#N)cc4)nc23)CC1,CHEMBL104484,6.51
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL101690,6.773
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1,CHEMBL102250,6.03
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccn4)nc23)CC1,CHEMBL105722,6.0
+CN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc23)CC1,CHEMBL105369,8.49
+COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL104374,6.96
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccs4)nc23)CC1,CHEMBL321080,6.41
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,6.14
+CCCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL101686,7.49
+Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1,CHEMBL449406,5.92
+CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12,CHEMBL158941,9.19
+CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,CHEMBL1185,8.38
+CNCCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL357034,8.72
+CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL1278,8.48
+CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,CHEMBL1279,7.99
+CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,CHEMBL905,8.0
+COc1ccc2ccc(N3CCNCC3)cc2c1,CHEMBL129661,8.7
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc23)CC1,CHEMBL129813,9.37
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5ccccc5C#N)CC4)cc23)CC1,CHEMBL2112660,9.42
+Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1,CHEMBL128699,8.85
+COc1cccc(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c1OC,CHEMBL338015,9.36
+Cc1ccccc1N1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL340786,9.52
+Cc1ccccc1CN1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL2112662,9.7
+COc1ccc(NC(=O)c2ccc(-c3ccc(C4=NOC(C)N4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL339308,9.85
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1,CHEMBL2112661,9.37
+CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL44054,7.98
+Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL300686,6.93
+CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL45929,7.33
+CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL300519,7.85
+CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL297660,6.33
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL49826,7.81
+CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL297471,6.51
+CCc1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL49048,5.79
+C1=CCN(CCc2c[nH]c3ccc(-c4cccs4)cc23)C1,CHEMBL173162,6.97
+c1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1,CHEMBL353256,6.15
+CC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL173656,7.15
+CN(C)CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL170192,7.64
+Clc1ccc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)s1,CHEMBL423610,6.32
+OC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL174141,6.95
+COC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL369798,8.0
+NCCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL355517,7.49
+CN(C)CCc1c[nH]c2ccc(-c3ccsc3)cc12,CHEMBL171129,7.77
+CN(C)CCc1c[nH]c2ccc(-c3ccc(Cl)s3)cc12,CHEMBL422737,6.52
+Cc1ccc(-c2ccc3[nH]cc(CCN(C)C)c3c2)s1,CHEMBL174355,6.88
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2,CHEMBL2113347,6.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)C2,CHEMBL2368612,6.0
+N#Cc1ccc2c(c1)CN(CCCCNC(=O)/C=C/c1c[nH]c3ccccc13)CC2,CHEMBL553591,6.8
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)CC2,CHEMBL2113350,6.8
+CS(=O)(=O)c1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4cc(C#N)ccc4C3)CC2)c1,CHEMBL2113352,5.2
+O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL552599,7.0
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)cc1,CHEMBL261917,5.8
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,6.3
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(-c2ccccc2)cc1,CHEMBL97637,6.5
+Cc1cc(N2CCNCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2n1,CHEMBL97211,5.9
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,6.2
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL97158,5.7
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,6.3
+CCc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL98965,5.5
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95823,5.6
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,8.5
+NCCc1c[nH]c2ccc(C(N)=O)cc12,CHEMBL18840,8.9
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,6.5
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,5.8
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,6.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,5.4
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,5.8
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,6.0
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,5.9
+Cc1cc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)ccc1Br,CHEMBL21369,6.9
+COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL282229,9.3
+Cc1cc(C(=O)Nc2ccc(C)c(N3CCN(C)CC3)c2)ccc1Br,CHEMBL20771,7.9
+COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1,CHEMBL277467,8.2
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.4
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.1
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,6.1
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,6.2
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,6.2
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.2
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,5.4
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1,CHEMBL71707,6.0
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.9
+CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL158627,5.3
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,5.48
+CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143967,6.835
+CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143767,7.52
+CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL326667,8.76
+CCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111376,8.8
+CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111284,7.46
+CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322054,7.4
+CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1,CHEMBL418823,6.87
+CCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL109526,8.34
+CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL327103,7.28
+CN(C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12,CHEMBL109360,7.2
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,8.46
+CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL109839,7.68
+CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL107617,8.7
+CCCCCCCCCOc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL107487,7.28
+CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111150,8.64
+NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12,CHEMBL110318,7.66
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,6.6
+CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL321190,8.96
+CCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL320079,9.0
+CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111283,7.85
+CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322349,7.23
+CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1,CHEMBL414420,6.56
+NCCc1c[nH]c2ccccc12,CHEMBL6640,7.44
+CCc1ccc2[nH]cc(CCN)c2c1,CHEMBL107511,8.11
+CC(=O)c1ccc2[nH]cc(CCN)c2c1,CHEMBL110317,8.13
+CCCCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL108818,6.73
+CCCCCCCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL111107,6.76
+NC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL111316,8.0
+COc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL108337,6.47
+CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL97450,8.92
+NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143512,7.795
+COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1,CHEMBL344127,9.7
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1,CHEMBL71474,6.92
+CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1,CHEMBL71899,6.39
+CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL70589,7.42
+CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL71091,6.71
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL304573,6.02
+CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL65196,6.46
+CCCNC1CCc2cc(F)ccc2C1,CHEMBL302373,5.82
+CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304426,6.44
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1,CHEMBL302263,6.55
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL307521,5.96
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL70652,6.75
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL307786,6.03
+CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1,CHEMBL70882,5.78
+CCCN(CCC)C1CCc2cc(F)c3c(c(C=O)cn3C)c2C1,CHEMBL71319,6.21
+CCCN(CCC)C1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1,CHEMBL303269,6.43
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL71247,6.07
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL71395,6.23
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL308347,7.59
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71625,6.68
+CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL305743,6.67
+CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1,CHEMBL71299,6.36
+CCCN(CCC)C1CCc2c(ccc(F)c2N)C1,CHEMBL71676,5.69
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302172,6.86
+CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1,CHEMBL69562,6.1
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL70710,6.85
+CCCc1c[nH]c2c(F)cc3c(c12)CC(N(CCC)CCC)CC3,CHEMBL71663,6.75
+CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302171,5.64
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL441256,7.09
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL70431,6.26
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL71804,6.52
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304767,7.25
+CCCNC1CCc2ccc3[nH]ccc3c2C1,CHEMBL305976,6.32
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69943,6.65
+C=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304984,7.31
+CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71640,6.71
+c1ccc(CCCNCC2CCc3ccc4[nH]ccc4c3C2)cc1,CHEMBL70980,6.64
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL420191,6.0
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1744041,6.66
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788198,6.92
+CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71469,6.96
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL2112317,5.79
+CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70680,7.96
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL72062,7.34
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL306197,7.4
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL423127,6.94
+CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL303339,6.64
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL70606,5.34
+CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788197,7.85
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL72285,6.6
+CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL312525,6.64
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL305837,7.96
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL303921,6.73
+CN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL413105,6.57
+CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744040,7.7
+CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL292274,5.77
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL420748,6.61
+Cc1cc(C(C)(C)C)cc(C)c1NC1=NCCN1,CHEMBL366322,7.92
+Cc1cc(Br)cc(C)c1NC1=NCCN1,CHEMBL182837,5.84
+Cc1cc([N+](=O)[O-])cc(C)c1NC1=NCCN1,CHEMBL183704,4.99
+Clc1cc(I)cc(Cl)c1NC1=NCCN1,CHEMBL360803,5.7
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1Cc1ccccc1,CHEMBL361729,5.73
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCCN1,CHEMBL361470,5.35
+CN1CCC(c2[nH]nc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL184597,5.64
+CN1CCC(n2ncc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL365405,5.62
+CN1CCC(n2ccc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361303,6.59
+CN1CCC(N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361061,6.36
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,7.82
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,8.37
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1Cl,CHEMBL609742,7.06
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,8.03
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,6.2
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.5
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.2
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,8.0
+Cc1ccc2c(OCCN3CCN(CN4C=Cc5cc(O)ccc5O4)CC3)cccc2n1,CHEMBL192176,7.0
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1,CHEMBL191895,6.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL365810,6.4
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+](=O)[O-],CHEMBL193268,6.5
+Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL192536,6.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL191605,7.1
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL364495,6.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1,CHEMBL191980,5.7
+Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1,CHEMBL363413,6.2
+Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1,CHEMBL2113061,6.8
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1,CHEMBL191921,6.6
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1,CHEMBL362992,6.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.7
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1,CHEMBL190190,6.4
+Cc1ccc2c(OCCN3CCN(Cc4cccc5nc[nH]c45)CC3)cccc2n1,CHEMBL190298,7.2
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,8.74
+COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL194206,7.42
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,7.86
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,7.55
+COc1ccc(NC(=O)N2CCN(c3ccc(SC)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197796,7.78
+COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1,CHEMBL195927,8.01
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,7.95
+COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1,CHEMBL196169,7.74
+CN1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC1,CHEMBL191971,8.25
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195114,8.7
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195497,8.5
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195897,7.3
+CCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL434355,8.4
+CCCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL371655,7.5
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL195432,8.4
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL435936,8.1
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113097,8.1
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113098,7.8
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1Cl)CC2,CHEMBL370896,7.9
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1)CC2,CHEMBL194610,7.7
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(Cl)c1F)CC2,CHEMBL195898,8.7
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(F)c1C(F)(F)F)CC2,CHEMBL195651,8.5
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(C(F)(F)F)c1F)CC2,CHEMBL196600,8.8
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1F)CC2,CHEMBL381035,8.1
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1F)CC2,CHEMBL424837,8.4
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1Cl)CC2,CHEMBL370214,8.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1F)CC2,CHEMBL197505,8.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1Cl)CC2,CHEMBL372731,8.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3ccccc3C)cc1)CC2,CHEMBL196848,9.2
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(C(C)=O)cc3C)cc1)CC2,CHEMBL196951,8.5
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3cc(C)ncc3C)cc1)CC2,CHEMBL193616,8.1
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL274256,8.3
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL196666,8.5
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(N4CCCC4=O)nc3C)cc1)CC2,CHEMBL425919,8.3
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncccn4)cc3C)cc1)CC2,CHEMBL364056,8.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1,CHEMBL370852,9.5
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C#N)cc2)CC4)CC1,CHEMBL194647,9.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2C(F)(F)F)CC4)CC1,CHEMBL194701,7.8
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2Cl)CC4)CC1,CHEMBL194809,8.9
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C(F)(F)F)nc2)CC4)CC1,CHEMBL199088,9.6
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cccc3ncccc23)CC4)CC1,CHEMBL370625,9.1
+Cc1cc(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)c(C(F)(F)F)o1,CHEMBL199175,8.7
+Cc1nc(C)c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)o1,CHEMBL197169,7.8
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn(C)c2C(F)(F)F)CC4)CC1,CHEMBL196140,8.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn3ccccc23)CC4)CC1,CHEMBL380812,9.0
+Cc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccccc1,CHEMBL198975,9.2
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372743,9.0
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCNCC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372651,8.6
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(CC)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL426285,8.8
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C(C)C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL198488,8.4
+CCc1c(C(=O)N2CCc3cc4ccnc(N5C[C@H](C)N[C@H](C)C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL199144,8.1
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL197947,9.0
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL382078,8.7
+CN1CCc2c(sc3ncn(CCN4CCN(c5nccc6ccccc56)CC4)c(=O)c23)C1,CHEMBL371221,9.3
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198836,9.3
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccc6ccccc6n5)CC4)c(=O)c23)C1,CHEMBL200951,7.44
+CN1CCc2c(sc3ncn(CCN4CCN(c5ncnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL196907,6.5
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cccnc56)CC4)c(=O)c23)C1,CHEMBL199443,9.52
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccncc56)CC4)c(=O)c23)C1,CHEMBL438619,10.0
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cnccc56)CC4)c(=O)c23)C1,CHEMBL199269,9.05
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ncccc56)CC4)c(=O)c23)C1,CHEMBL197240,8.77
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.01
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,8.6
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccsc56)CC4)c(=O)c23)C1,CHEMBL197344,9.4
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6c5OCC6)CC4)c(=O)c23)C1,CHEMBL200315,9.3
+COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL200950,8.27
+COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197445,8.42
+COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197338,8.31
+COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196914,9.3
+COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196962,8.48
+COc1ccc(-c2ccccc2)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196961,6.93
+COc1ccc(C(F)(F)F)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL200949,7.37
+COc1ccc(C)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197064,7.92
+COc1ccc(OC)c(N2CCN(CCn3cnc4sc5c(c4c3=O)CCN(C)C5)CC2)c1,CHEMBL197011,7.3
+COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL198462,7.15
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c23)C1,CHEMBL198999,8.92
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c23)C1,CHEMBL198792,8.96
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCC(C)(C)C)CC4)c(=O)c23)C1,CHEMBL371094,8.27
+CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196958,8.6
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5C#N)CC4)c(=O)c23)C1,CHEMBL196862,8.85
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c23)C1,CHEMBL198696,8.77
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5-c5ccccc5)CC4)c(=O)c23)C1,CHEMBL197007,8.96
+Cc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197078,8.46
+COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL199049,8.85
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.64
+COc1cc(N2CCCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,CHEMBL224195,9.05
+COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2c(N3CCN(C)CC3)cc(F)cc12,CHEMBL224267,7.52
+CNc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2c(N3CCN(C)CC3)cc(OC)cc12,CHEMBL225364,5.89
+COc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1,CHEMBL387545,7.29
+CN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)[nH]c23)CC1,CHEMBL225363,8.03
+CCN1CCC(N(CC)c2cc(OC)cc3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)[nH]c23)C1,CHEMBL225310,6.77
+COc1cc(N2CC[C@@H](N(C)C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,CHEMBL376813,7.46
+COc1cc(N(C)CCN(C)C)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,CHEMBL225308,6.41
+COc1cc(N2CCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,CHEMBL224399,8.46
+COc1cc(N(C)CCCN(C)C)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,CHEMBL224738,6.53
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706925,7.06
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706923,6.94
+N#Cc1ccc2c(N3CCN(CC[C@@H]4OCCc5cc(C(N)=O)ccc54)CC3)cccc2c1,CHEMBL391273,7.82
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL233210,7.68
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL234448,7.04
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391271,6.99
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL234447,6.55
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)c(F)ccc2n1,CHEMBL391033,7.5
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(C#N)cc2n1,CHEMBL239167,6.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL239166,5.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL241500,6.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL241499,6.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL241503,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,6.2
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,6.5
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,5.7
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,6.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,5.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,6.4
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL241463,9.1
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL239168,7.7
+OCC1(N2CCN(C3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1,CHEMBL392770,5.83
+CC1CC(N2CCN(C3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CC1C,CHEMBL239598,6.38
+CC(C)N1CCN(C2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CC1,CHEMBL239596,7.51
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CCc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248407,7.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(Cc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248231,7.2
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CC(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248230,7.5
+CCCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248229,7.5
+CCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246599,7.5
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248458,7.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL399719,8.1
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL248457,7.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248456,7.4
+CCN1C(=O)COc2ccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246598,8.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL246597,8.2
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c21,CHEMBL443060,8.8
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4F)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247609,8.8
+Cc1ccc2c(OCCN3CCN(Cc4cc(F)c5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247428,9.7
+CCOc1ccc(CC(=O)N2CCc3cc(OC)c(N4C[C@H](C)N(C)[C@H](C)C4)cc32)cc1Cl,CHEMBL250973,7.9
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(S(=O)(=O)c1cccc(Br)c1)CC2,CHEMBL399704,5.7
+CC1(C)Cc2cccc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)c2O1,CHEMBL491839,9.2
+Cc1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL444398,9.4
+Cc1ncc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489195,9.2
+O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1,CHEMBL523095,7.5
+O=C1COc2ccc(CCN3CCN(c4nccc5ccccc45)CC3)cc2N1,CHEMBL490211,9.1
+O=C1COc2ccc(CCN3CCN(c4cccc5nc(-c6ccccc6)ccc45)CC3)cc2N1,CHEMBL484059,9.5
+Cc1cc(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(C)nc2c1,CHEMBL484260,9.2
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL521506,9.3
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL485491,8.6
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL497980,9.3
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL497979,6.9
+Cc1ccc2c(N3C[C@H]4C[C@@H]3CN4CCc3ccc4c(c3)NC(=O)CO4)cccc2n1,CHEMBL523064,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3C)cccc2n1,CHEMBL495705,8.7
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@H](C)C3)cccc2n1,CHEMBL521873,8.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@@H](C)C3)cccc2n1,CHEMBL495703,8.9
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL496520,9.4
+Cc1ccc2c(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL496317,8.8
+Cc1ccc2c(N3CCN(CCc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489394,9.0
+CCN1C(=O)COc2ccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cc21,CHEMBL489393,9.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL513715,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469345,8.533
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5)CC3)cccc2n1,CHEMBL512724,7.5
+CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21,CHEMBL472290,8.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C(C)C)CC3)cccc2n1,CHEMBL469567,8.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C4CC4)CC3)cccc2n1,CHEMBL469568,8.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC4CC4)CC3)cccc2n1,CHEMBL469995,8.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC(F)F)CC3)cccc2n1,CHEMBL511279,7.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL511815,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1,CHEMBL471047,7.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469374,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL513875,8.7
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469589,6.1
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL470217,6.8
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1,CHEMBL520129,5.74
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.28
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,6.11
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,6.23
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,5.54
+Cc1ccc2c(OCCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519010,6.5
+Cc1ccc2c(N3CCN(CCCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL483365,8.2
+Cc1ccc2c(N3CCN(CCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485395,7.3
+Cc1ccc2c(OCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL484387,7.3
+Cc1ccc2c(OC(C)CN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484386,6.7
+Cc1ccc2c(OCC(C)N3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484216,7.2
+Cc1ccc2c(OCCCN3CC(Oc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519019,6.4
+Cc1ccc2c(OC3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485427,7.6
+Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485630,6.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1,CHEMBL496098,8.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,8.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)N[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL461670,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL517170,8.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@@H](C)C5)c4)CC3)cccc2n1,CHEMBL518545,7.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)NC[C@@H]5C)c4)CC3)cccc2n1,CHEMBL457982,7.5
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL458199,8.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)C(=O)C5)c4)CC3)cccc2n1,CHEMBL458200,6.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5=O)c4)CC3)cccc2n1,CHEMBL456458,7.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCCC5)c4)CC3)cccc2n1,CHEMBL459061,8.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1,CHEMBL457765,6.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)O[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL513955,6.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCN(C)CC5)c4)CC3)cccc2n1,CHEMBL514429,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5)c4)CC3)cccc2n1,CHEMBL456684,7.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL459282,8.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCNCC5)c4)CC3)cccc2n1,CHEMBL459067,8.2
+CC(=O)N1CCC(c2cccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)c2)CC1,CHEMBL459068,6.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(S(C)(=O)=O)CC5)c4)CC3)cccc2n1,CHEMBL462915,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccncc5)c4)CC3)cccc2n1,CHEMBL462916,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1,CHEMBL516997,7.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1,CHEMBL456459,7.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccoc5)c4)CC3)cccc2n1,CHEMBL456460,7.4
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL500737,7.0
+O=C(Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc67)CC5)c4)CC3)c2c1)c1ccc(F)cc1,CHEMBL451394,6.34
+O=C(Nc1ccc2[nH]cc(C3CCN(C/C=C/CN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL450852,6.99
+O=C(Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL501645,7.49
+O=C(Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL448555,7.74
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL509314,6.9
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL500230,7.42
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL505750,6.9
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL503468,7.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)CC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL489453,7.8
+CN1CCC(c2c[nH]c3ccc(N)cc23)CC1,CHEMBL521235,6.45
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL500488,9.09
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL500284,9.24
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL502138,9.3
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL374973,10.0
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL446745,8.89
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL452387,9.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL448902,8.89
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL444404,9.12
+FC(F)(F)c1nc2c(N3CCN(CCOc4cccc5nc(C(F)(F)F)[nH]c45)CC3)cccc2[nH]1,CHEMBL472117,7.22
+CC(=O)N(C)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL506942,7.3
+CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1,CHEMBL495161,5.8
+CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL495160,5.9
+COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494992,6.8
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL494991,6.3
+CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494806,7.7
+Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1,CHEMBL494631,6.6
+COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O,CHEMBL495217,7.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,7.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(=O)(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL495213,8.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL495046,7.9
+CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525362,7.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1,CHEMBL495895,7.7
+CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL497127,7.0
+CC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498356,7.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL498355,7.3
+CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498354,7.8
+CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525712,7.7
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,5.73
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.05
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,5.66
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,5.31
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,5.47
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,7.0
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,5.22
+CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(N5CCN(C)CC5)c4o3)cc2)CC1,CHEMBL602674,8.765
+COc1cc2c(c(N3CCN(C)CC3)c1)O[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CC2,CHEMBL602875,7.915
+Cc1n[nH]c(C)c1-c1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c12,CHEMBL601012,8.03
+COC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1,CHEMBL605785,9.37
+COC1(c2ccc(NC(=O)C3CCc4cc(F)cc(-c5c(C)nn(C)c5C)c4O3)cn2)CCOCC1,CHEMBL601013,9.02
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,8.95
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1,CHEMBL1242904,8.8
+Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241547,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1,CHEMBL1241548,8.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C(F)(F)F)cn4-5)CC3)cccc2n1,CHEMBL1241641,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4cncn4-5)CC3)cccc2n1,CHEMBL1241642,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnc(C)n4-5)CC3)cccc2n1,CHEMBL1241738,9.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C)nnn4-5)CC3)cccc2n1,CHEMBL1241546,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1,CHEMBL1241639,8.1
+CCOC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241640,8.9
+CC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241736,9.0
+CO/N=C(\C)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241737,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241824,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C#N)ncn4-5)CC3)cccc2n1,CHEMBL1241825,8.8
+CNC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241912,8.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241998,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242081,9.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242167,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242257,8.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NCC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242345,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242436,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242533,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242623,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242717,9.0
+CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258723,5.8
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.09
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,5.44
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290486,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290487,9.1
+Cc1ccc2c(N3CCN(CCc4cccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1290715,8.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1290716,9.1
+Cc1ccc2c(N3CCN(CCc4c(F)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289163,7.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL1289394,9.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1287827,6.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289510,6.5
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,9.3
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,9.3
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,9.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5F)c4)CC3)cccc2n1,CHEMBL1631533,9.0
+CCOC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631538,8.9
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,8.9
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,8.9
+CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632207,8.9
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,8.8
+COc1cccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)c1,CHEMBL1632215,8.8
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL1632208,8.8
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,8.7
+CCCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632221,8.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1,CHEMBL1632219,8.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632209,8.7
+CCCS(=O)(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631548,8.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,8.6
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1631537,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1,CHEMBL1632218,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1632212,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1,CHEMBL1632211,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1631536,8.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)NC(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632222,8.4
+COc1ccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)cc1,CHEMBL1632216,8.4
+COc1ccccc1C(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632214,8.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1632213,8.3
+Cc1ccc2c(N3CCN(CCc4cccc(N)c4)CC3)cccc2n1,CHEMBL1631534,8.1
+CC(=O)N(C)c1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631539,7.9
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCOC5=O)c4)CC3)cccc2n1,CHEMBL1631543,7.5
+Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1,CHEMBL1631544,7.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCNC5=O)c4)CC3)cccc2n1,CHEMBL1631541,7.4
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,5.78
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,5.56
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,6.57
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,6.92
+COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,CHEMBL31354,7.62
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.57
+COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CN3c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1,CHEMBL1910792,6.92
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,7.48
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,5.15
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,6.02
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.2
+CNC(C)COc1cc(Cl)ccc1Cl,CHEMBL2260927,5.17
+CNC(C)COc1ccc(Cl)cc1Cl,CHEMBL2260926,5.38
+CNCCOc1cc(Cl)ccc1Cl,CHEMBL2260922,5.44
+CNCCOc1ccc(Cl)cc1Cl,CHEMBL2260921,5.56
+CNC(C)COc1cccc(Cl)c1Cl,CHEMBL2260925,5.61
+CNC(C)COc1ccc(Br)cc1Br,CHEMBL2260928,5.64
+CN1CCN(CCOc2ccc(Br)cc2Br)CC1,CHEMBL2260924,5.84
+CNCCOc1ccc(Br)cc1Br,CHEMBL2260923,5.9
+CN1CCN([C@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1,CHEMBL2260934,6.04
+CN1CCN([C@@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1,CHEMBL2260933,6.08
+CNC(C)COc1cccc(Oc2ccccc2)c1,CHEMBL2260930,6.12
+CNC(C)COc1c(Br)cccc1Br,CHEMBL2260929,7.15
+CNCCOc1cccc(Cl)c1Cl,CHEMBL2260920,7.44
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL1259203,7.89
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.275
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.66
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,6.19
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,6.39
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,6.15
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,5.91
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.15
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.87
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,6.0
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,6.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,6.0
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,8.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.5
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,6.88
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,8.15
+CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609140,5.79
+COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3609143,5.61
+CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1,CHEMBL473186,9.5
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,6.05
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,6.02
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,5.87
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.75
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,6.07
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,5.43
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,5.82
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,5.02
diff --git a/chembl_200/CHEMBL1899.csv b/chembl_200/CHEMBL1899.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e3496dc483eacd6cf364aa9b6fd151ebdadec6b4
--- /dev/null
+++ b/chembl_200/CHEMBL1899.csv
@@ -0,0 +1,355 @@
+Cc1nc[nH]c1Cc1nc(-c2ccccc2)cs1,CHEMBL38465,8.74
+Cc1nc[nH]c1Cc1nc(-c2ccccc2F)cs1,CHEMBL329179,8.71
+Cc1nc[nH]c1Cc1nc(-c2c[nH]c3ccccc23)cs1,CHEMBL290938,7.92
+Cc1nc[nH]c1Cc1nc(-c2cccc3cccnc23)cs1,CHEMBL421747,9.0
+COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1,CHEMBL93919,9.38
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,8.492
+Cc1[nH]c2ccc(O)cc2c1CCN,CHEMBL266591,5.92
+COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12,CHEMBL34291,6.82
+COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(C2)CC31,CHEMBL558226,8.92
+N=C(N)NCc1nc(-c2c[nH]c3ccccc23)cs1,CHEMBL40260,8.48
+COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2,CHEMBL18041,9.32
+Nc1cc2c(cc1Cl)C(=O)NC1CCN(CCOCCO2)CC1,CHEMBL116913,7.27
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2,CHEMBL27846,8.3
+Cc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL66918,8.77
+c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL56900,9.44
+c1ccc(CCCn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL304534,8.1
+c1ccc2[nH]c(N3CCNCC3)nc2c1,CHEMBL292066,7.72
+c1ccc(CCn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL305582,8.13
+Fc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL302743,8.28
+c1ccc2cc(Cn3c(N4CCNCC4)nc4ccccc43)ccc2c1,CHEMBL63863,8.84
+COc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,CHEMBL66692,9.38
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,5.28
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,8.415
+C1=C2CN3CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N(c1ccccc1)[C@@H]1[C@H]2CCN3CC4=CCO[C@@H]6[C@@H]1[C@H]4C[C@@H]23,CHEMBL388212,5.505
+O=[N+]([O-])c1ccc(C[N+]23CCC4[C@@H]2C[C@H](C2=CN5c6ccccc6[C@@]67CC[N+]8(Cc9ccc([N+](=O)[O-])cc9)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N(c5ccccc5)[C@@H]24)/C(=C\CO)C3)cc1,CHEMBL415570,4.0
+COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H](C2=CN5c6ccccc6[C@@]67CC[N+]8(Cc9ccc(OC)c(OC)c9)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N(c5ccccc5)[C@@H]24)/C(=C\CO)C3)cc1OC,CHEMBL388049,4.0
+OC/C=C1/C[N+]2(C3C=CCCC3)CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N+]6(C7C=CCCC7)CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@@H]56)N(c2ccccc2)[C@@H]13,CHEMBL415569,4.4
+C[N+]12CC[C@H]3[C@@H]1C[C@H](C1=CN4c5ccccc5[C@@]56CC[N+]7(C)CC8=CCO[C@H]([C@@H]([C@H]45)[C@H]8C[C@@H]67)N(c4ccccc4)[C@@H]13)/C(=C\CO)C2,CHEMBL415568,5.215
+OC/C=C1/CN2CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CCN6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13,CHEMBL388048,5.71
+O=[N+]([O-])c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc([N+](=O)[O-])cc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1,CHEMBL229998,4.62
+Brc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc(Br)cc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1,CHEMBL388046,5.22
+COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc(OC)c(OC)c7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1OC,CHEMBL389120,4.575
+C1=C2C[N+]3(Cc4ccccc4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N(c1ccccc1)[C@@H]1[C@H]2CC[N+]3(Cc4ccccc4)CC4=CCO[C@@H]6[C@@H]1[C@H]4C[C@@H]23,CHEMBL396705,4.0
+C1=CC([N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(C7C=CCCC7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)CCC1,CHEMBL231056,5.585
+C/C=C/C[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL230952,4.81
+C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL390135,4.0
+C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3CN5CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@H]57)C2,CHEMBL244561,4.71
+C[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL395727,4.98
+c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3,CHEMBL15056,9.48
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL195241,8.25
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,5.98
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,6.76
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,5.97
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2,CHEMBL2107804,8.38
+CCn1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL62023,9.0
+CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1,CHEMBL68131,6.8
+COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,CHEMBL117287,5.4
+COc1ccc2[nH]c(=O)n(C(=O)N[C@H]3C[C@@H]4CC[C@H](C3)N4C)c2c1,CHEMBL3084582,6.5
+CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL287045,6.9
+C[C@@]12CCCN1CC[C@H]2CNC(=O)c1cc(Cl)cc2nc[nH]c12,CHEMBL472219,6.6
+COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1,CHEMBL83954,5.7
+c1ccc2cc(OCC3CCNCC3)ccc2c1,CHEMBL453996,6.51
+N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1,CHEMBL444985,6.39
+Cc1nc2c3c(nc(Cc4ccccc4)n2n1)CCNCC3,CHEMBL565547,5.43
+CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,CHEMBL289469,8.693
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1[nH]n(C)c3cccc(=O)c1-3)C2,CHEMBL596951,9.77
+COc1cccc2c1c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C,CHEMBL596952,7.58
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(OCc4ccccc4)c13)C2,CHEMBL598803,6.43
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(O)cc13)C2,CHEMBL598804,8.14
+COc1ccc2c(c1)c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C,CHEMBL605562,5.28
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(OCc4ccccc4)cc13)C2,CHEMBL598805,5.52
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cc(O)ccc13)C2,CHEMBL603673,6.55
+COc1ccc2c(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)nn(C)c2c1,CHEMBL596758,6.63
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cc(OCc4ccccc4)ccc13)C2,CHEMBL604083,6.13
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2,CHEMBL599011,9.17
+COc1cccc2c(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)nn(C)c12,CHEMBL599012,7.15
+CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(OCc4ccccc4)cccc13)C2,CHEMBL605772,9.64
+Cn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c2ccccc21,CHEMBL597984,7.23
+CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(CCCN)c3ccccc13)C2,CHEMBL2309589,8.72
+Cc1cc(C)n2c1C=C1C=CC(=NCC(=O)NCCCn3nc(C(=O)NC4CC5CCCC(C4)N5C)c4ccccc43)N1[B-]2(F)F,CHEMBL3084719,8.55
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.97
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.45
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccccc4)nc13)C2,CHEMBL3084779,7.82
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccc(F)cc4)nc13)C2,CHEMBL3084780,7.79
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccc(Cl)cc4)nc13)C2,CHEMBL3084781,7.74
+COc1ccc(-c2nc3c(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)cccc3o2)cc1,CHEMBL3084782,7.73
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3nc(-c4ccccc4)oc13)C2,CHEMBL3084783,7.39
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3nc(-c4ccc(F)cc4)oc13)C2,CHEMBL3084784,7.02
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3nc(-c4ccc(Cl)cc4)oc13)C2,CHEMBL3084759,7.13
+COc1ccc(-c2nc3cccc(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)c3o2)cc1,CHEMBL3084760,7.23
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(N4CCOCC4)nc13)C2,CHEMBL3084761,7.4
+O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(N3CCOCC3)nc12,CHEMBL1271520,6.78
+C[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084762,7.89
+C[C@@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084763,7.03
+CC[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084764,8.34
+CCC[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084765,8.41
+CC(C)[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084766,8.3
+CC(C)C[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084767,8.46
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(N4CCOC[C@@H]4C(C)(C)C)nc13)C2,CHEMBL3084768,8.7
+C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084769,9.22
+C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1271790,8.17
+CC[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084770,9.0
+C[C@H]1CN(c2nc3c(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)cccc3o2)C[C@@H](C)O1,CHEMBL3084771,7.45
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(N4CCNCC4)nc13)C2,CHEMBL3084772,7.14
+C[C@H]1CNCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084773,7.78
+C[C@H]1CNC[C@@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084774,7.43
+C[C@@H]1CNC[C@@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084775,7.23
+C[C@H]1CNC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084776,8.62
+COc1ccccc1-c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272016,7.33
+COc1ccccc1-c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1,CHEMBL3084777,7.83
+O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(C3CC3)nc12,CHEMBL1272072,7.49
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(C4CC4)nc13)C2,CHEMBL3084778,8.08
+Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O,CHEMBL1110,9.3
+CCN(CC)c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272122,7.91
+CC(C)N(C)c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272123,7.18
+CN(C)c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272176,7.74
+CCNc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272121,7.44
+CNc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272177,7.44
+Nc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1,CHEMBL1272178,7.86
+Nc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cc(Cl)cc2o1,CHEMBL1272232,8.33
+Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2,CHEMBL1278088,8.33
+O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,CHEMBL1189679,10.5
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.6
+O=c1c2cccc3[nH][nH]c(cn1[C@H]1CN4CCC1CC4)c32,CHEMBL1643881,8.33
+O=c1c2cccc3[nH][nH]c(cn1[C@@H]1CN4CCC1CC4)c32,CHEMBL1643882,8.305
+Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643883,8.735
+Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643884,9.075
+Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23,CHEMBL1643885,8.7
+CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643886,8.7
+CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643887,8.9
+CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643888,8.48
+CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1643889,8.67
+CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23,CHEMBL1641625,8.66
+O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)[nH]n3Cc1ccccc1,CHEMBL1643890,8.225
+O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)[nH]n3-c1ccc(F)cc1,CHEMBL1643891,7.585
+O=c1c2cccc3c2c(cn1[C@@H]1CN2CCC1CC2)[nH]n3-c1ccc(F)cc1,CHEMBL1643892,8.125
+Cn1cc2c3c(cccc31)C(=O)N([C@H]1CN3CCC1CC3)C2,CHEMBL1643893,9.05
+Cn1cc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)C2,CHEMBL1643894,9.075
+Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21,CHEMBL1643895,10.22
+Clc1ccc(C2CCNC2)cc1,CHEMBL27453,6.1
+Nc1ccc2cc3ccccc3nc2c1,CHEMBL148204,6.0
+N=C(N)NCCCc1ccccc1,CHEMBL1824047,6.1
+CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1,CHEMBL260565,6.6
+CN1CCN(c2nc3ccccc3[nH]c2=O)CC1,CHEMBL414183,7.9
+CN1CCC(=Cc2nc3ccc(Cl)cc3[nH]2)CC1,CHEMBL1824048,8.8
+CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1,CHEMBL492884,5.9
+c1ncc(CC2CCCCC2)[nH]1,CHEMBL1824228,5.9
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCCCC(=O)NCCCn5nc(C(=O)N[C@H]6C[C@@H]7CCC[C@H](C6)N7C)c6ccccc65)c(C)n4[B-]3(F)F)C=C2)cc1,CHEMBL3084430,9.05
+CCN(CC)c1ccc2cc(C(=O)NCCCn3nc(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)c4ccccc43)c(=O)oc2c1,CHEMBL3084431,6.7
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c3ccccc13)C2,CHEMBL3084432,8.8
+CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)c4ccccc43)c(=O)oc2c1,CHEMBL3084433,8.14
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c3ccccc13)C2,CHEMBL3084434,8.96
+CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)c4ccccc43)c(=O)oc2c1,CHEMBL3084436,6.85
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCOCCOCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c3ccccc13)C2,CHEMBL3084437,5.2
+CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCCNc3ccc([N+](=O)[O-])c4nonc34)c3ccccc13)C2,CHEMBL3084438,8.06
+CN(C)c1cccc2c(S(=O)(=O)NCCCn3nc(C(=O)N[C@@H]4C[C@@H]5CCC[C@H](C4)N5C)c4ccccc43)cccc12,CHEMBL3084439,8.92
+CC1=CC(C)=[N+]2C1=C(CCCOC(=O)CCCn1nc(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)c3ccccc31)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL3084440,8.8
+CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(C(=O)N[C@H]5C[C@@H]6CCC[C@H](C5)N6C)nn(C)c34)c(=O)oc2c1,CHEMBL3084441,8.72
+CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(C(=O)N[C@@H]5C[C@@H]6CCC[C@H](C5)N6C)nn(C)c34)c(=O)oc2c1,CHEMBL3084442,6.8
+CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(C(=O)N[C@H]5C[C@@H]6CCC[C@H](C5)N6C)nn(C)c34)c(=O)oc2c1,CHEMBL3084443,5.89
+CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3c(OCCOCCOCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cccc13)C2,CHEMBL3084444,6.68
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,8.7
+C[C@@H]1CCCN1CCCOc1ccc(-c2cn[nH]c(=O)c2)cc1,CHEMBL1813065,8.55
+O=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cn[nH]1,CHEMBL1958132,7.72
+C[C@@H]1CCCN1CCCOc1ccc(-c2cnn(C)c(=O)c2)cc1,CHEMBL1958133,8.72
+Cn1ncc(-c2ccc(OCCCN3CCCCC3)cc2)cc1=O,CHEMBL1958134,7.89
+Cn1ncc(-c2ccc(OCCCN3CCCCCC3)cc2)cc1=O,CHEMBL1958135,8.09
+CC(C)n1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O,CHEMBL1958322,8.57
+Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1958323,8.8
+Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1958324,8.1
+Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1958325,8.32
+Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1958326,8.7
+Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1958327,8.05
+C[C@@H]1CCCN1CCCOc1ccc(-c2cnn(-c3ccccn3)c(=O)c2)cc1,CHEMBL1945843,8.77
+C[C@H]1CCCN1CCCOc1ccc(-c2cnn(-c3ccccn3)c(=O)c2)cc1,CHEMBL1958328,7.96
+O=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cnn1-c1ccccn1,CHEMBL1958329,8.11
+O=c1cc(-c2ccc(OCCCN3CCCCCC3)cc2)cnn1-c1ccccn1,CHEMBL1958330,8.28
+Cc1cccc(-n2ncc(-c3ccc(OCCCN4CCC[C@H]4C)cc3)cc2=O)n1,CHEMBL1958331,8.74
+Cc1cccnc1-n1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O,CHEMBL1958332,8.6
+Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1958333,8.77
+Cc1cccnc1-n1nc(C)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O,CHEMBL1958334,8.52
+COc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12,CHEMBL2151440,7.22
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1,CHEMBL378349,6.76
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1,CHEMBL379302,6.51
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1,CHEMBL378471,6.18
+O=C(N[C@@H]1CN2CCC1CC2)c1[nH]nc2ccccc12,CHEMBL2151439,8.7
+Clc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597241,5.86
+Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1Cl,CHEMBL603052,6.61
+O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1OCC2,CHEMBL419496,9.0
+O=C(Oc1ccccc1)N1CCN2CCC1CC2,CHEMBL563848,5.4
+c1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597843,6.24
+c1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL611082,7.89
+c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2,CHEMBL2151437,7.92
+CN1CC2CN(c3ccc(-c4ccccc4)nn3)CC2C1,CHEMBL2151443,6.82
+CN1CCN(c2ccc3cccc(N)c3n2)CC1,CHEMBL2169974,6.48
+CN1CCN(c2ccc3c(N)cccc3n2)CC1,CHEMBL2169973,6.69
+CN1CCN(c2cc3ccccc3c(N)n2)CC1,CHEMBL2169972,6.66
+CNc1nc(N2CCN(C)CC2)cc2ccccc12,CHEMBL2169971,8.23
+CN1CCN(c2cc(N)c3ccccc3n2)CC1,CHEMBL2169970,8.84
+CNc1cc(N2CCN(C)CC2)nc2ccccc12,CHEMBL2169969,7.87
+CN1CCN(c2ccc3ccccc3c2)CC1,CHEMBL2169968,6.27
+CN1CCN(c2cnc3ccccc3c2)CC1,CHEMBL2169967,6.39
+CN1CCN(c2cc3ccccc3cn2)CC1,CHEMBL2169966,8.79
+CN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL288591,9.34
+CN1CCN(c2cnc3ccccc3n2)CC1,CHEMBL123137,8.33
+CNc1nc(N2CCN(C)CC2)nc2ccccc12,CHEMBL2169965,8.53
+CN1CCN(c2nc(N)c3ccccc3n2)CC1,CHEMBL475331,10.29
+CN1CCN(c2nc(=O)c3ccccc3[nH]2)CC1,CHEMBL2169964,7.33
+CN1CCN(c2ncc3ccccc3n2)CC1,CHEMBL443764,8.87
+CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1,CHEMBL454890,8.55
+CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1,CHEMBL489664,7.83
+CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL489271,8.57
+CN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL490072,7.1
+CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL490071,7.86
+CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1,CHEMBL489061,4.78
+CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL490073,6.78
+CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1,CHEMBL489060,8.18
+CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1,CHEMBL473302,7.92
+CN1CCN(c2nc(=O)c3cc(Cl)ccc3[nH]2)CC1,CHEMBL471712,6.24
+CN1CCN(c2ncc3cc(Cl)ccc3n2)CC1,CHEMBL2169890,8.13
+CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12,CHEMBL462417,4.93
+CNc1nc(N2CC3CCCNC3C2)nc2ccc(Cl)cc12,CHEMBL461729,5.45
+CNc1nc(N2CC[C@H](N)C2)nc2ccc(Cl)cc12,CHEMBL461360,5.63
+CNc1nc(N2CC(N(C)C)C2)nc2ccc(Cl)cc12,CHEMBL2169975,6.33
+CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL489062,8.95
+CNc1nc(N2CCCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL511699,7.74
+O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,CHEMBL2179529,6.15
+O=C(NC1CN2CCC1CC2)c1cc2ccccc2s1,CHEMBL365323,7.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1,CHEMBL2179862,4.73
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.61
+CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1,CHEMBL2181169,5.88
+CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1,CHEMBL2181189,6.15
+CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1,CHEMBL2181171,6.17
+CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1,CHEMBL2181170,6.19
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.39
+Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2205035,6.57
+Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1,CHEMBL2205034,7.57
+Cc1ccc(Sc2ccccc2N2CCN(C)CC2)c(C)c1,CHEMBL2205033,6.89
+Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1,CHEMBL2205032,6.17
+Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1,CHEMBL2205031,7.35
+Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1,CHEMBL2204365,6.82
+Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1,CHEMBL2204364,6.8
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204363,8.14
+COc1cc(C)ccc1Sc1ccccc1N1CCNCC1,CHEMBL2204362,7.77
+COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204361,7.92
+Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204359,7.59
+COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1,CHEMBL2204358,7.49
+Cc1cccc(Sc2ccccc2N2CCNCC2)c1C,CHEMBL2204357,7.54
+Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl,CHEMBL2204356,7.17
+COc1cccc(Sc2ccccc2N2CCNCC2)c1OC,CHEMBL2204355,7.1
+Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C,CHEMBL2205054,7.48
+Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl,CHEMBL2205053,6.96
+COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC,CHEMBL2205052,7.07
+Cc1ccccc1Sc1ccccc1N1CCNCC1,CHEMBL2205051,7.49
+COc1ccccc1Sc1ccccc1N1CCNCC1,CHEMBL2205050,7.28
+Cc1cccc(Sc2ccccc2N2CCNCC2)c1,CHEMBL2205049,7.19
+COc1cccc(Sc2ccccc2N2CCNCC2)c1,CHEMBL2205048,7.21
+CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205047,6.35
+FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205046,6.85
+Cc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205045,7.25
+Fc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205044,7.28
+Clc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205043,7.44
+COc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205042,7.44
+c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205041,7.19
+Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1,CHEMBL2205040,6.59
+Cc1ccc(Sc2ccc(F)cc2)c(N2CCNCC2)c1,CHEMBL2205039,6.36
+Cc1ccc(Sc2ccc(Cl)cc2)c(N2CCNCC2)c1,CHEMBL2205038,6.3
+COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1,CHEMBL2205037,6.72
+Cc1ccc(Sc2ccccc2)c(N2CCNCC2)c1,CHEMBL2205036,6.51
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,5.12
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,5.28
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.72
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,5.41
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,CHEMBL74656,5.7
+COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc(C(C)C)[nH]c34)CC2)CC1,CHEMBL2402904,4.0
+CC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc(C(C)C)[nH]c34)CC2)CC1,CHEMBL2401750,4.0
+CC(C)c1nc2cccc(C(=O)NCC3CCN(CC4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402903,4.0
+CC(=O)N(C)CC(O)CN1CCC(CNC(=O)c2cccc3nc(C(C)C)[nH]c23)CC1,CHEMBL2402902,4.2
+COC(=O)N(C)CC(O)CN1CCC(CNC(=O)c2cccc3nc(C(C)C)[nH]c23)CC1,CHEMBL2402901,4.3
+CC(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN(C)S(C)(=O)=O)CC3)c2[nH]1,CHEMBL2402900,4.1
+CC(=O)N1CCN(CCN2CCC(CNC(=O)c3cccc4nc(C(C)C)[nH]c34)CC2)CC1,CHEMBL2402899,4.4
+COC(=O)N1CCN(CCN2CCC(CNC(=O)c3cccc4nc(C(C)C)[nH]c34)CC2)CC1,CHEMBL2402898,4.1
+CC(C)c1nc2cccc(C(=O)NCC3CCN(CCN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402897,4.0
+CC(C)c1nc2cc(Cl)cc(C(=O)NCC3CCN(CC(O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402896,5.9
+CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc(-c5ccccc5)[nH]c34)CC2)CC1,CHEMBL2402895,4.8
+CC(F)(F)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402894,5.1
+CC(C)(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402893,4.4
+CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc(C5CC5)[nH]c34)CC2)CC1,CHEMBL2402892,4.3
+CC(C)c1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402891,4.1
+CCc1nc2cccc(C(=O)NCC3CCN(CC(O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1,CHEMBL2402890,4.1
+CS(=O)(=O)N1CCN(CC(O)CN2CCC(NC(=O)c3cccc4nc[nH]c34)CC2)CC1,CHEMBL2402889,4.2
+CS(=O)(=O)N1CCN(CC(O)CN2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4nc[nH]c24)C3)CC1,CHEMBL2402888,4.7
+CS(=O)(=O)N1CCN(CC(O)CN2CCC(CNC(=O)c3cccc4nc[nH]c34)CC2)CC1,CHEMBL2402887,4.3
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,6.0
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,7.285
+N=C(N)Nc1cccc(Cl)c1,CHEMBL13823,7.49
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,5.54
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058416,5.21
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,5.23
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O,CHEMBL404232,5.52
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058427,5.58
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL512332,5.82
+CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O,CHEMBL2058420,5.91
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O,CHEMBL1170237,6.0
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O,CHEMBL2058419,6.18
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,6.23
+Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093187,5.59
+Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093186,5.92
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.29
+O=c1cc(CCc2ccccc2)oc2cccc(O)c12,CHEMBL479683,5.6
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,6.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,6.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.2
+O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc(F)c21,CHEMBL3235480,6.64
+O=S1(=O)c2ccc(F)cc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235482,6.3
+O=C1c2cccc3ccn(c23)CCN1[C@H]1CN2CCC1CC2,CHEMBL3261478,7.15
+O=C1c2cccc3ccn(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3261479,8.455
+Cc1cn2c3c(cc(Cl)cc13)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3261480,9.7
+O=C1c2cccc3cnn(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3261481,8.095
+O=C1c2cc(F)cc3cnn(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3261482,8.19
+O=C1c2cc(Cl)cc3cnn(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3261483,9.3
+Cc1cc2c3c(cnn3CCN([C@@H]3CN4CCC3CC4)C2=O)c1,CHEMBL3261484,9.1
+COc1cc2c3c(cnn3CCN([C@@H]3CN4CCC3CC4)C2=O)c1,CHEMBL3261485,7.87
+O=C1c2cccc3[nH]c(=O)n(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3261486,8.195
+O=C1c2cccc3c2N(CCN1[C@@H]1CN2CCC1CC2)S(=O)(=O)N3,CHEMBL3261487,6.15
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,CHEMBL177611,6.03
+CN1CC2CCCC1CC(N1Cc3cn(C)c4cccc(c34)C1=O)C2,CHEMBL3679403,7.89
+O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)[nH]n3-c1ccc(Cl)cc1,CHEMBL3679404,7.17
+COc1ccc(-n2[nH]c3cn([C@H]4CN5CCC4CC5)c(=O)c4cccc2c34)cc1,CHEMBL3679405,7.24
+O=c1c2cc(Br)cc3[nH][nH]c(cn1[C@H]1CN4CCC1CC4)c32,CHEMBL3679406,9.0
+CN1C2CCCC1CC(n1cc3[nH]n(C)c4cccc(c1=O)c34)C2,CHEMBL3679407,7.47
+O=C1c2cccc3n[nH]c(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3679408,8.46
+Cn1nc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3639782,8.7
+CCn1nc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3679409,9.0
+CC(C)n1nc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3679410,8.7
+O=C1c2cccc3c2c(nn3Cc2ccccc2)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3679411,8.7
+O=C1c2cccc3n[nH]c(c23)CCN1[C@H]1CN2CCC1CC2,CHEMBL3679412,6.97
+O=C1c2cccc3c2c(cn3S(=O)(=O)c2ccccc2)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3679420,7.6
+Cn1cc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3679413,9.0
+O=C1c2cccc3c2c(cn3Cc2ccccc2)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3679414,9.0
+O=C1c2cccc3[nH]cc(c23)CCN1[C@H]1CN2CCC1CC2,CHEMBL3679415,7.31
+Cn1cc2c3c(cccc31)C(=O)N([C@H]1CN3CCC1CC3)CC2,CHEMBL3679416,8.1
+O=C1c2cccc3c2c(cn3Cc2ccccc2)CCN1[C@H]1CN2CCC1CC2,CHEMBL3679417,7.89
+CN1C2CCCC1CC(N1CCc3cn(C)c4cccc(c34)C1=O)C2,CHEMBL3679418,6.57
+CN1C2CCC1CC(n1cc3[nH]n(C)c4cccc(c1=O)c34)C2,CHEMBL3679419,7.23
+Cc1cn2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)CC2,CHEMBL3673238,8.3
+O=C1c2cccc3ccn(c23)CCCN1[C@H]1CN2CCC1CC2,CHEMBL3673239,6.38
+O=C1c2cccc3ccn(c23)CCCN1[C@@H]1CN2CCC1CC2,CHEMBL3673240,6.69
+O=C1c2cc(F)cc3cnn(c23)CCN1C1CN2CCC1CC2,CHEMBL3673241,8.22
+O=C1c2cc(CO)cc3cnn(c23)CCN1C1CN2CCC1CC2,CHEMBL3673242,7.85
+Cc1cc2c3c(cnn3CCN(C3CN4CCC3CC4)C2=O)c1,CHEMBL3673243,9.1
+O=C1c2cc(O)cc3cnn(c23)CCN1C1CN2CCC1CC2,CHEMBL3673244,8.7
+O=C1c2cccc3ncn(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3673245,7.49
+CCc1nc2cccc3c2n1CCN([C@@H]1CN2CCC1CC2)C3=O,CHEMBL3673246,6.89
+O=C1c2cccc3nc(-c4ccccc4)n(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3673247,6.39
+O=C1c2cccc3nc(-c4ccccc4Cl)n(c23)CCN1[C@@H]1CN2CCC1CC2,CHEMBL3673248,6.69
+O=C1c2cccc3c2c(cn3Cc2ccc(CO)cc2)CCN1CC12CCN(CC1)CC2,CHEMBL3673249,8.1
+O=C1c2cccc3[nH]cc(c23)CCN1CC12CCN(CC1)CC2,CHEMBL3673250,7.52
+O=c1c2cccc3[nH][nH]c(cn1CC14CCN(CC1)CC4)c32,CHEMBL3673251,8.7
+O=C1c2cccc3cnn(c23)CCN1CC12CCN(CC1)CC2,CHEMBL3673253,7.14
+O=C1c2cccc3n[nH]c(c23)CCN1CC1CN2CCC1CC2,CHEMBL3673254,6.43
+COc1cccc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1,CHEMBL3746146,8.52
+c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2o1,CHEMBL3747344,8.52
+c1cc2cc(-c3cn(C4CN5CCC4CC5)nn3)ccc2[nH]1,CHEMBL3746799,7.28
diff --git a/chembl_200/CHEMBL1907589.csv b/chembl_200/CHEMBL1907589.csv
new file mode 100644
index 0000000000000000000000000000000000000000..81df548c721de27c1d2378d563fe596bde0b69c2
--- /dev/null
+++ b/chembl_200/CHEMBL1907589.csv
@@ -0,0 +1,444 @@
+N#[N+][N-]c1cc(Cn2ccsc2=N)cnc1Cl,CHEMBL319885,9.33
+O=[N+]([O-])Nc1nccn1Cc1ccc(Cl)nc1,CHEMBL95367,6.33
+N#[N+][N-]c1cc(Cn2ccs/c2=N\[N+](=O)[O-])cnc1Cl,CHEMBL98451,6.77
+N#[N+][N-]c1cc(CN2CCN=C2N[N+](=O)[O-])cnc1Cl,CHEMBL97343,6.47
+N#[N+][N-]c1ccncc1Cn1ccsc1=N,CHEMBL96405,6.09
+O=[N+]([O-])/N=c1\sccn1Cc1ccc(Cl)nc1,CHEMBL97798,6.77
+NC1=NCCN1Cc1ccc(Cl)nc1,CHEMBL309804,8.66
+N#[N+][N-]c1cc(CN2CCN=C2N)cnc1Cl,CHEMBL316493,8.59
+N#C/N=c1\sccn1Cc1cnc(Cl)c([N-][N+]#N)c1,CHEMBL95904,6.92
+N=c1sccn1Cc1ccc(Cl)nc1,CHEMBL72675,9.41
+N#[N+][N-]c1cncc(Cn2ccsc2=N)c1,CHEMBL317288,8.08
+O=[N+]([O-])Cc1nccn1Cc1ccc(Cl)nc1,CHEMBL100491,7.22
+N#[N+][N-]c1cc(Cl)ncc1Cn1ccsc1=N,CHEMBL330079,6.96
+N#C/N=c1\sccn1Cc1ccc(Cl)nc1,CHEMBL95352,6.92
+O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1,CHEMBL406819,6.14
+CNCC/C=C/c1cccnc1,CHEMBL132966,7.595
+c1cncc(OC[C@@H]2CCN2)c1,CHEMBL59986,10.356
+Clc1ccc(OC[C@H]2CCN2)cn1,CHEMBL430497,10.365
+N#[N+][N-]c1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55716,10.57
+c1cncc(OCCN2CCCC2)c1,CHEMBL328429,6.67
+CCN(C)CCOc1cccnc1,CHEMBL57912,7.66
+CNCCC#Cc1cccnc1,CHEMBL54860,7.047000000000001
+c1cncc(CN2CCCC2)c1,CHEMBL148489,7.52
+CN(C)CCC#Cc1cccnc1,CHEMBL150893,6.29
+C[N+](C)(C)CCC#Cc1cccnc1,CHEMBL151817,6.33
+CCN(C)CCC#Cc1cccnc1,CHEMBL150948,5.75
+C[N+](C)(C)Cc1cccnc1,CHEMBL348693,6.96
+CN(C)Cc1cccnc1,CHEMBL331904,6.27
+CCN(C)Cc1cccnc1,CHEMBL60792,7.55
+CNCCC#Cc1ccc(Cl)nc1,CHEMBL347558,6.81
+CNCCOc1cccnc1,CHEMBL112221,7.46
+C[N+](C)(C)CCOc1cccnc1,CHEMBL345732,9.3
+CN(C)C1CCCc2ccncc21,CHEMBL123935,6.48
+C[N+](C)(C)C,CHEMBL46486,7.62
+c1cncc(C2CCCCN2)c1,CHEMBL280963,7.04
+c1cncc(C2CCN2)c1,CHEMBL323325,8.96
+CN1CCCCC1c1cccnc1,CHEMBL102246,6.35
+c1cncc(C2CC3CCN2CC3)c1,CHEMBL105374,8.77
+c1cncc(C2CCCN2)c1,CHEMBL1132,7.54
+OC1CC2CC(c3ccc(Cl)nc3)C(C1)N2,CHEMBL421553,8.13
+CNCC#Cc1cccnc1,CHEMBL149808,5.64
+c1cc2c(cn1)CCNCC2,CHEMBL52133,7.33
+Clc1ccc(C2C[C@@H]3CCC2N3)cn1,CHEMBL54902,10.3
+Cc1cnoc1CC1CN2CCC1CC2,CHEMBL292428,8.49
+Cc1cnoc1CC1CN2CCC1C2,CHEMBL55114,9.52
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,4.26
+O=C(OC1CN2CCC1CC2)n1ccc2ccccc21,CHEMBL320963,4.85
+Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,CHEMBL46,4.34
+O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12,CHEMBL108799,5.59
+CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,CHEMBL289469,4.42
+C[N+]1(C)C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL111583,5.11
+c1ccc2c(c1)CC1CNCC2C1,CHEMBL373144,7.47
+Oc1cccc2c1CC1CNCC2C1,CHEMBL190502,8.54
+COc1ccc2c(c1O)CC1CNCC2C1,CHEMBL190192,7.89
+Fc1cccc2c1CC1CNCC2C1,CHEMBL191988,8.19
+COc1ccc2c(c1)CC1CNCC2C1,CHEMBL187992,8.85
+Oc1ccc2c(c1)CC1CNCC2C1,CHEMBL425906,7.05
+FC(F)Oc1ccc2c(c1)CC1CNCC2C1,CHEMBL189968,8.15
+CCOc1ccc2c(c1)CC1CNCC2C1,CHEMBL264986,7.89
+CC(C)c1ccc2c(c1)CC1CNCC2C1,CHEMBL193889,7.14
+Fc1ccc2c(c1)CC1CNCC2C1,CHEMBL191867,8.7
+COC(=O)c1ccc2c(c1)CC1CNCC2C1,CHEMBL191784,7.47
+CC(C)(O)c1ccc2c(c1)CC1CNCC2C1,CHEMBL192726,6.58
+O=[N+]([O-])c1ccc2c(c1)CC1CNCC2C1,CHEMBL191174,8.31
+COc1ccc(-c2ccc3c(c2)CC2CNCC3C2)cc1,CHEMBL189898,6.43
+FC(F)(F)c1ccc(-c2ccc3c(c2)CC2CNCC3C2)cc1,CHEMBL189973,6.7
+c1cc2c(c3c1CC1CNCC3C1)OCO2,CHEMBL373359,8.24
+O=[N+]([O-])c1ccc2c(c1)C1CNCC(C2)C1,CHEMBL190826,8.19
+O=[N+]([O-])c1cccc2c1C1CNCC(C2)C1,CHEMBL365578,7.85
+Fc1ccc2c(c1F)CC1CNCC2C1,CHEMBL365965,9.36
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1,CHEMBL134713,7.29
+Clc1ccc2c(c1)C1CNCC2C1,CHEMBL198773,9.7
+Clc1cc2c(cc1Cl)C1CNCC2C1,CHEMBL194469,10.0
+Nc1ccc2c(c1)C1CNCC2C1,CHEMBL179734,7.0
+CC(=O)Nc1ccc2c(c1)C1CNCC2C1,CHEMBL372431,7.12
+O=S(=O)(c1ccc2c(c1)C1CNCC2C1)N1CC1,CHEMBL372652,8.7
+O=S(=O)(c1ccc2c(c1)C1CNCC2C1)N1CCCC1,CHEMBL194195,8.51
+CC(=O)c1ccc2c(c1)C1CNCC2C1,CHEMBL194204,9.77
+N#Cc1ccc2c(c1)C1CNCC2C1,CHEMBL196626,9.3
+Oc1ccc2c(c1)C1CNCC2C1,CHEMBL194187,8.55
+Fc1ccc2c(c1)C1CNCC2C1,CHEMBL372211,8.96
+Fc1cc2c(cc1F)C1CNCC2C1,CHEMBL365524,9.55
+Cc1ccc2c(c1)C1CNCC2C1,CHEMBL194375,8.8
+FC(F)(F)c1ccc2c(c1)C1CNCC2C1,CHEMBL443304,9.48
+FC(F)(F)c1cccc2c1C1CNCC2C1,CHEMBL198986,7.41
+Fc1cccc2c1C1CNCC2C1,CHEMBL198987,6.7
+Oc1cccc2c1C1CNCC2C1,CHEMBL371536,5.77
+c1ccc(-c2cccc3c2C2CNCC3C2)cc1,CHEMBL198206,5.8
+Cc1nc2cc3c(cc2nc1C)C1CNCC3C1,CHEMBL198278,9.26
+c1nc2cc3c(cc2[nH]1)C1CNCC3C1,CHEMBL198490,9.82
+Cn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL198032,9.12
+CCCn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL199152,9.44
+CCCCn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL198035,9.7
+CC(C)Cn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL197891,9.52
+c1ccc(-n2cnc3cc4c(cc32)C2CNCC4C2)cc1,CHEMBL436110,9.85
+Cc1nc2cc3c(cc2[nH]1)C1CNCC3C1,CHEMBL198444,10.0
+Cc1nc2cc3c(cc2n1C)C1CNCC3C1,CHEMBL198333,9.51
+CCCn1c(C)nc2cc3c(cc21)C1CNCC3C1,CHEMBL199096,9.72
+Cc1nc2cc3c(cc2n1CC(C)C)C1CNCC3C1,CHEMBL199097,9.55
+Cc1nc2cc3c(cc2n1CC(C)(C)C)C1CNCC3C1,CHEMBL199046,9.12
+c1nc2cc3c(cc2o1)C1CNCC3C1,CHEMBL194268,9.8
+Cc1nc2cc3c(cc2o1)C1CNCC3C1,CHEMBL194475,9.82
+CC(C)c1nc2cc3c(cc2o1)C1CNCC3C1,CHEMBL196150,8.72
+c1ccc(Cc2nc3cc4c(cc3o2)C2CNCC4C2)cc1,CHEMBL196201,7.47
+Cc1nc2cc3c(cc2s1)C1CNCC3C1,CHEMBL196095,9.92
+Cc1noc2cc3c(cc12)C1CNCC3C1,CHEMBL197129,9.89
+CN1C2CCC1C(c1cncc(I)c1)C2,CHEMBL204871,7.54
+Cc1cc(C2C3CCC2NC3)on1,CHEMBL221066,9.12
+Clc1ccc(C2CC3CNC2C3)cn1,CHEMBL185667,9.11
+Clc1ccc(C2C3CCC2NC3)cn1,CHEMBL220476,10.11
+Clc1ccc(C2CC3CCCC2N3)cn1,CHEMBL94427,9.68
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C,CHEMBL388341,5.6
+COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL388564,4.51
+COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL225853,4.52
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,CHEMBL388342,5.52
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,CHEMBL225852,5.0
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C,CHEMBL112640,6.04
+COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3,CHEMBL225851,6.01
+Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1,CHEMBL298517,10.47
+Clc1cc2c(cn1)C1CC3CCC1N3C2,CHEMBL396362,5.48
+Clc1ccc2c(n1)CN1C3CCC1C2C3,CHEMBL235338,5.9
+Clc1ccc(C2CC3NC2c2ccccc23)cn1,CHEMBL236114,7.19
+Fc1ncc(C2CC3NC2c2ccccc23)cc1-c1ccccc1,CHEMBL400408,6.89
+Nc1cc2c(cn1)C1CC3CCC1N3C2,CHEMBL415265,4.91
+Nc1ccc2c(n1)CN1C3CCC1C2C3,CHEMBL396388,5.13
+Cc1cc(Cl)ncc1C1CC2CCC1N2,CHEMBL235041,7.76
+Cc1nc(Cl)ccc1C1CC2CCC1N2,CHEMBL235261,6.59
+COc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,CHEMBL1209072,6.32
+Oc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209124,6.595
+Oc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1,CHEMBL1209125,6.83
+Fc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,CHEMBL1209126,5.73
+CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,CHEMBL1209186,6.6
+CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1,CHEMBL1209242,5.54
+CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209244,6.13
+COc1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1162395,7.72
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL122270,8.3
+c1cncc(N2CCC3(CCCN3)C2)c1,CHEMBL504652,7.54
+c1cncc(N2CCC3(CC4CCN3C4)C2)c1,CHEMBL2057712,7.54
+c1cncc(N2CCC3(CC4CCN3CC4)C2)c1,CHEMBL2057713,7.49
+c1cncc(N2CCC3(C2)C2CCN3CC2)c1,CHEMBL2057714,8.0
+c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2,CHEMBL2151437,6.85
+CN1CC2CN(c3ccc(-c4ccccc4)nc3)CC2C1,CHEMBL2151445,4.55
+c1ccc(-c2ccc(N3CC4CNCC4C3)cn2)cc1,CHEMBL2151444,7.02
+C(=C1\CN2CCC1CC2)\c1cccnc1,CHEMBL2179959,8.46
+c1cncc(N2CC3CNCC(C3)C2)c1,CHEMBL2177512,9.85
+CN[C@@H](C)C/C=C/c1cccnc1,CHEMBL2179958,7.62
+CCC(=O)C1=CCCN(C)C1,CHEMBL346802,8.24
+CN1CCC=C(c2ccc(Cl)nc2)C1,CHEMBL1181055,8.66
+CC(=O)C1=CCCC2CCC1N2,CHEMBL25619,8.96
+C1=C(c2cccnc2)C2CCC(CC1)N2,CHEMBL444572,9.57
+CC(=O)CC1=CN2CCC1CC2,CHEMBL2179960,7.89
+COc1ccc(C(=O)N2CC3CNCC(C3)C2)cc1,CHEMBL2179523,7.22
+O=C(c1ccccc1)N1CC2CNCC(C2)C1,CHEMBL2179522,6.04
+O=C(c1ccc(Oc2ccccc2)cc1)N1CC2CNCC2C1,CHEMBL2179521,7.72
+COc1ccc(C(=O)N2CC3CNCC3C2)cc1,CHEMBL2179520,7.59
+O=C(c1ccccc1)N1CC2CNCC2C1,CHEMBL2179519,6.7
+O=C(c1ccccn1)N1CC2CNCC2C1,CHEMBL2179518,6.6
+O=C(c1cccnc1)N1CC2CNCC2C1,CHEMBL2179517,6.31
+Cc1ncoc1C(=O)N1CC2CNCC2C1,CHEMBL2179516,8.1
+O=C(c1cnco1)N1CC2CNCC2C1,CHEMBL2179957,6.96
+O=C(c1ccno1)N1CC2CNCC2C1,CHEMBL2179956,7.31
+O=C(c1ncco1)N1CC2CNCC2C1,CHEMBL2179560,6.47
+O=C(c1ccoc1)N1CC2CNCC2C1,CHEMBL2179559,7.72
+O=C(c1ccc(Br)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179558,8.05
+O=C(c1ccc(F)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179557,8.3
+O=C(c1ccc(Br)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179556,7.35
+O=C(c1ccc(Cl)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179555,7.8
+O=C(c1ccc(F)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179554,7.92
+Cc1ccoc1C(=O)N1CC2CNCC(C2)C1,CHEMBL2179553,6.72
+Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1,CHEMBL2179552,7.34
+N#Cc1ccoc1C(=O)N1CC2CNCC(C2)C1,CHEMBL2179551,7.41
+N#Cc1coc(C(=O)N2CC3CNCC(C3)C2)c1,CHEMBL2179550,7.48
+N#Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1,CHEMBL2179549,8.1
+O=C(c1occc1Br)N1CC2CNCC(C2)C1,CHEMBL2179548,7.64
+O=C(c1cc(Br)co1)N1CC2CNCC(C2)C1,CHEMBL2179547,8.52
+O=C(c1ccc(Br)o1)N1CC2CNCC(C2)C1,CHEMBL2179546,7.59
+O=C(c1occc1Cl)N1CC2CNCC(C2)C1,CHEMBL2179545,7.82
+O=C(c1cc(Cl)co1)N1CC2CNCC(C2)C1,CHEMBL2179544,8.3
+O=C(c1ccc(Cl)o1)N1CC2CNCC(C2)C1,CHEMBL2179543,8.3
+O=C(c1occc1F)N1CC2CNCC(C2)C1,CHEMBL2179542,7.3
+O=C(c1cc(F)co1)N1CC2CNCC(C2)C1,CHEMBL2179541,7.66
+O=C(c1ccc(F)o1)N1CC2CNCC(C2)C1,CHEMBL2179540,8.52
+Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179539,7.49
+Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179538,7.38
+N#Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179537,7.89
+N#Cc1coc(C(=O)N2CC3CNCC3C2)c1,CHEMBL2179536,7.57
+N#Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179535,7.28
+O=C(c1occc1Br)N1CC2CNCC2C1,CHEMBL2179534,8.7
+O=C(c1cc(Br)co1)N1CC2CNCC2C1,CHEMBL2179533,7.8
+O=C(c1ccc(Br)o1)N1CC2CNCC2C1,CHEMBL2179532,7.13
+O=C(c1occc1Cl)N1CC2CNCC2C1,CHEMBL2179531,8.7
+O=C(c1cc(Cl)co1)N1CC2CNCC2C1,CHEMBL2179530,7.96
+O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,CHEMBL2179529,7.52
+O=C(c1occc1F)N1CC2CNCC2C1,CHEMBL2179528,7.64
+O=C(c1cc(F)co1)N1CC2CNCC2C1,CHEMBL2179527,7.49
+O=C(c1ccc(F)o1)N1CC2CNCC2C1,CHEMBL2179526,8.1
+O=C(c1ccncc1)N1CC2CNC(C2)C1,CHEMBL2179525,7.52
+O=C(c1ccncc1)N1CC2CNCC(C2)C1,CHEMBL2179524,7.43
+O=C(c1ccncc1)N1CC2CNCC2C1,CHEMBL2179971,7.17
+O=C(c1ccco1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179970,7.89
+O=C(c1ccco1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179969,7.82
+O=C(c1ccco1)N1CC2CNC(C2)C1,CHEMBL2179968,7.62
+O=C(c1ccco1)N1CC2CNCC(C2)C1,CHEMBL2179967,7.7
+O=C(c1ccco1)N1CC2CNCC2C1,CHEMBL2179966,7.48
+O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179965,9.0
+O=C(C1CC1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179964,8.15
+O=C(C1CC1)N1CC2CNC(C2)C1,CHEMBL2179963,8.4
+O=C(C1CC1)N1CC2CNCC(C2)C1,CHEMBL2179962,9.0
+O=C(C1CC1)N1CC2CNCC2C1,CHEMBL2179961,8.4
+CCOc1cncc(/C=C/CCNC)c1,CHEMBL1876219,7.92
+Fc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2177514,9.22
+Clc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2177513,8.72
+Clc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1,CHEMBL2178157,9.0
+Clc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2178158,9.05
+COc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2178159,8.85
+COc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1,CHEMBL2178160,9.05
+COc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177109,9.0
+C1=C(c2ccc3nccnc3c2)CC2CNCC1C2,CHEMBL2177515,7.07
+Clc1ccc(C2=CC3CNCC(C2)C3)nn1,CHEMBL2177516,9.4
+C1=C(c2cnccn2)CC2CNCC1C2,CHEMBL2177517,8.96
+C1=C(c2cncnc2)CC2CNCC1C2,CHEMBL2177518,9.7
+C1=C(c2ccncc2)CC2CNCC1C2,CHEMBL2177519,7.25
+CN1CC2C=C(c3cnccc3C#N)CC(C2)C1,CHEMBL2177520,5.47
+N#Cc1ccncc1C1=CC2CNCC(C1)C2,CHEMBL2177521,8.55
+CN1CC2C=C(c3cnccc3Cl)CC(C2)C1,CHEMBL2177531,5.94
+Clc1ccncc1C1=CC2CNCC(C1)C2,CHEMBL2177530,8.52
+C1=C(c2ccc(-c3ccccc3)nc2)CC2CNCC1C2,CHEMBL2177529,6.98
+Cc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177528,9.52
+COc1ccc(C2=CC3CC(C2)CN(C)C3)cn1,CHEMBL2177527,6.1
+COc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177526,9.4
+CN1CC2C=C(c3ccc(Cl)nc3)CC(C2)C1,CHEMBL2177525,7.66
+Clc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177524,9.4
+CN1CC2C=C(c3ccc(F)nc3)CC(C2)C1,CHEMBL2177523,7.74
+Fc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177522,9.4
+C1=C(c2cncc(-c3ccccc3)c2)CC2CNCC1C2,CHEMBL2177532,9.1
+FC(F)(F)c1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177533,9.15
+CN1CC2C=C(c3cncc(C#N)c3)CC(C2)C1,CHEMBL2177534,7.62
+N#Cc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1,CHEMBL2177535,9.52
+N#Cc1cncc(C2=C[C@H]3CNC[C@@H](C2)C3)c1,CHEMBL2178156,9.52
+N#Cc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2178155,9.22
+CN1CC2C=C(c3cncc(Cl)c3)CC(C2)C1,CHEMBL2178154,8.02
+Clc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177555,9.4
+CN1CC2C=C(c3cncc(F)c3)CC(C2)C1,CHEMBL2177554,7.89
+Fc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1,CHEMBL2177553,9.7
+Fc1cncc(C2=C[C@H]3CNC[C@@H](C2)C3)c1,CHEMBL2177552,9.7
+Fc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177551,9.52
+COc1cc(C2=CC3CC(C2)CN(C)C3)cnc1Cl,CHEMBL2177550,8.36
+COc1cc(C2=CC3CNCC(C2)C3)cnc1Cl,CHEMBL2177549,9.4
+CN1CC2C=C(c3cncc(OCc4ccccc4)c3)CC(C2)C1,CHEMBL2177548,8.77
+C1=C(c2cncc(OCc3ccccc3)c2)CC2CNCC1C2,CHEMBL2177547,9.15
+CN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1,CHEMBL2177546,8.89
+C1=C(c2cncc(Oc3ccccc3)c2)CC2CNCC1C2,CHEMBL2177545,9.15
+CC(C)Oc1cncc(C2=CC3CC(C2)CN(C)C3)c1,CHEMBL2177544,8.66
+CC(C)Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177543,9.59
+COc1cncc(C2=CC3CC(C2)CN(C)C3)c1,CHEMBL2177542,9.22
+COc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177541,9.52
+CN1C[C@@H]2CC(c3cccnc3)=C[C@@H](C2)C1,CHEMBL2177540,8.68
+CN1C[C@@H]2C=C(c3cccnc3)C[C@@H](C2)C1,CHEMBL2177539,8.03
+C1=C(c2cccnc2)C[C@H]2CNC[C@@H]1C2,CHEMBL2177538,9.7
+C1=C(c2cccnc2)C[C@@H]2CNC[C@H]1C2,CHEMBL2177537,10.0
+C1=C(c2cccnc2)CC2CNCC1C2,CHEMBL2177536,9.7
+c1cncc(CC2CC3CCN2CC3)c1,CHEMBL1789658,7.49
+O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL2180265,5.92
+O=C(N[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL2180264,5.1
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL1258006,5.77
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cccc(-c3ccccn3)c2o1,CHEMBL2180263,5.29
+COc1ccccc1-c1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2180262,5.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Cl)cc(Br)c2o1,CHEMBL2180261,5.89
+COc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(Cl)cc12,CHEMBL2180260,6.12
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2c(Cl)cccc12,CHEMBL2180259,6.01
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(Cl)cc12,CHEMBL2180258,6.0
+Cc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)c(C)c2c1,CHEMBL2180257,6.48
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2c(F)cccc12,CHEMBL2180256,5.96
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(F)cc12,CHEMBL2180255,5.89
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(F)ccc2o1,CHEMBL2180254,5.89
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(O)ccc2o1,CHEMBL2180253,6.13
+Cc1ccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc2c1,CHEMBL2180252,5.82
+Cc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)cc2c1,CHEMBL2180251,6.21
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccccc12,CHEMBL2180250,6.4
+CCOc1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2179883,5.8
+COc1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2179882,6.08
+COc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)cc2c1,CHEMBL2179881,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Br)ccc2o1,CHEMBL2179880,5.92
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Cl)ccc2o1,CHEMBL2179879,6.0
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2cccs2)s1,CHEMBL2179878,6.22
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccn2)s1,CHEMBL2179877,5.89
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)cs1,CHEMBL2179876,5.82
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)s1,CHEMBL2179875,6.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(I)s1,CHEMBL2179874,6.7
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)s1,CHEMBL2179873,6.0
+Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)s1,CHEMBL2151441,5.89
+Cc1ccsc1/C=C/C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL2179872,6.4
+O=C(/C=C/c1ccccc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL2179871,6.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)on1,CHEMBL2179870,5.64
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccon1,CHEMBL2179869,5.68
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)o1,CHEMBL2179868,5.44
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccn2)o1,CHEMBL2179867,5.48
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)o1,CHEMBL2179866,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1occc1Br,CHEMBL2179865,5.82
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(Cl)co1,CHEMBL2179864,5.85
+Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1,CHEMBL2179863,5.68
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1,CHEMBL2179862,6.7
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12,CHEMBL2179861,5.8
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc2cccnc12,CHEMBL2179860,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1,CHEMBL2179859,6.22
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)n1,CHEMBL2179858,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cn1,CHEMBL2179857,6.85
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(Cl)ccn1,CHEMBL2179856,6.4
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccncc1,CHEMBL2179854,5.82
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1,CHEMBL2179853,6.7
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1,CHEMBL2179852,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2c(c1)OCCO2,CHEMBL2179851,5.64
+COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1,CHEMBL2179850,6.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)c(Cl)c1,CHEMBL2179849,6.22
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1Cl,CHEMBL2179848,5.92
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)c(F)c1,CHEMBL2179847,5.36
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(CO)cc1,CHEMBL2179846,5.96
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)cc1,CHEMBL2179845,5.8
+COc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1,CHEMBL2179844,6.05
+CN(C)c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1,CHEMBL2179843,6.52
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)cc1,CHEMBL1258005,6.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1,CHEMBL2179842,5.85
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)c1,CHEMBL2179841,6.3
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1Cl,CHEMBL2179840,5.92
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(F)cc1,CHEMBL2179839,6.15
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(F)c1,CHEMBL2179838,6.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1F,CHEMBL2179837,5.89
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1,CHEMBL1257896,5.7
+Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1,CHEMBL2203550,5.65
+CC(C)N(CCOc1cccnc1)C(C)C,CHEMBL2261111,4.95
+CN(C)CCOc1cccc(O)c1,CHEMBL2261108,6.44
+CN(C)CCOc1cccc([N+](=O)[O-])c1,CHEMBL2261107,5.47
+CN(C)CCOc1cncc(Cl)c1,CHEMBL113076,6.35
+O=[N+]([O-])c1cccc(OC[C@@H]2CC3CCN2CC3)c1,CHEMBL2261114,6.13
+Oc1cccc(OC[C@@H]2CC3CCN2CC3)c1,CHEMBL2261113,8.4
+OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL2024096,10.21
+CC(=O)C1=CC[C@@H]2CC[C@H]1N2,CHEMBL2332145,7.03
+CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,CHEMBL2332144,9.47
+CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL2381566,8.92
+CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1,CHEMBL2381567,7.81
+CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1,CHEMBL2381565,6.66
+CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1,CHEMBL2381564,6.82
+CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1,CHEMBL2381563,7.95
+CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1,CHEMBL2381571,7.65
+CN1CCC[C@H]1COC(=O)c1cccc(N)c1,CHEMBL2381570,8.09
+CN1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1,CHEMBL2381569,6.34
+CN1CCC[C@H]1COC(=O)c1ccccc1,CHEMBL2381568,7.63
+CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1,CHEMBL293950,7.01
+C[C@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409492,8.54
+C[C@H]1C[C@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409481,7.74
+C[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409489,9.0
+C[C@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409490,7.55
+O=C([C@H]1C[C@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409486,8.85
+O=C(C1CC1)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409472,7.37
+C[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409484,7.37
+COC(=O)N1CC2CNCC(C2)C1,CHEMBL2409497,7.7
+CC(=O)N1CC2CNCC2C1,CHEMBL2409493,7.42
+CNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409475,8.72
+C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409491,9.7
+C[C@@H]1C[C@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409483,8.4
+C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409482,9.0
+O=C([C@@H]1C[C@@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409485,8.28
+O=C([C@H]1C[C@@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409488,8.14
+CC(=O)N1CC2CNCC(C2)C1,CHEMBL2409495,7.7
+O=C(c1ccco1)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037928,7.89
+CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409476,8.22
+O=C([C@H]1C[C@H]1F)N1CC2CNCC2C1,CHEMBL2409478,8.3
+CCC(=O)N1CC2CNCC2C1,CHEMBL2409494,7.92
+O=C([C@@H]1C[C@@H]1F)N1CC2CNCC2C1,CHEMBL2409477,7.77
+COC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037929,8.1
+O=C([C@@H]1C[C@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409487,9.0
+CC(C)NC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2407115,7.64
+CCC(=O)N1CC2CNCC(C2)C1,CHEMBL2409496,8.1
+O=C([C@H]1C[C@@H]1F)N1CC2CNCC2C1,CHEMBL2409479,7.52
+O=C([C@@H]1C[C@H]1F)N1CC2CNCC2C1,CHEMBL2409480,8.05
+O=C(C1CC1)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037927,9.3
+CNC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037926,6.74
+O=C(c1ccco1)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409473,6.96
+COC(=O)N1CC2CNCC2C1,CHEMBL2409498,7.64
+COC(=O)C1CC2CNCC(C2)C1,CHEMBL2409474,5.62
+C(=C1\CN2CCC1CC2)\c1ccccc1,CHEMBL478358,5.8
+c1ccc(C[N+]23CCC(CC2)C(=C(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL2435284,5.15
+N#C/C(=C1\CN2CCC1CC2)c1ccccc1,CHEMBL2435282,5.96
+C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1,CHEMBL2332280,6.8
+c1ccc(C(=C2CN3CCC2CC3)c2ccccc2)cc1,CHEMBL2435283,7.05
+CN(C)CCOC(=O)N(C)C,CHEMBL2441749,5.24
+CN(C)C(=O)OCC[N+](C)(C)C,CHEMBL2441748,7.7
+CNC(=O)OCC[N+](C)(C)C,CHEMBL1472561,7.64
+C[N+](C)(C)CCOC(N)=O,CHEMBL965,6.12
+C(#Cc1cncc(OC[C@@H]2CCN2)c1)c1ccccc1,CHEMBL3086991,10.31
+c1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1,CHEMBL96201,9.85
+CN1CC[C@H]1COc1cncc(C#Cc2ccccc2)c1,CHEMBL3086990,8.92
+C(#Cc1cncc(OC[C@H]2CCN2)c1)c1ccccc1,CHEMBL3086989,9.96
+COc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086986,10.12
+Cc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086985,10.37
+CN(C)c1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086984,10.51
+Clc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086983,10.03
+Cc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086982,10.34
+FC(F)(F)c1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086996,9.59
+Fc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086995,10.3
+Fc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086994,10.49
+Fc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3086993,10.14
+Fc1ccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)cc1,CHEMBL3086992,10.08
+CN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2,CHEMBL3094063,7.47
+O=C1CCCC2[C@H]3CNC[C@H](C3)CN12,CHEMBL3094062,7.77
+C[N+](C)(C)Cc1cn(Cc2cccc(O)c2)c2ccccc12,CHEMBL3133445,5.8
+C[N+](C)(C)Cc1cn(Cc2ccc(O)cc2)c2ccccc12,CHEMBL3133446,6.22
+Clc1ccc2c(n1)CC1CNCC2C1,CHEMBL3218781,8.46
+Clc1cc2c(cn1)C1CNCC(C2)C1,CHEMBL3218782,9.3
+O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc(F)c21,CHEMBL3235480,6.25
+O=S1(=O)c2ccc(F)cc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235482,6.05
+O=S1(=O)c2ccccc2-c2ccc(N3CCN4CCC3CC4)c(F)c21,CHEMBL3235483,6.85
+O=S1(=O)c2ccccc2-c2c(N3CCN4CCC3CC4)ccc(F)c21,CHEMBL3235484,5.4
+O=S1(=O)c2ccc(I)cc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235488,6.32
+COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CC2,CHEMBL442947,6.22
+O=C(C1CC1)N1CCNCC1,CHEMBL3329525,5.22
+O=C(C1CC1)N1CC2CC1CN2,CHEMBL3329526,5.55
+O=C(C1CC1)N1CC2CCC(C1)N2,CHEMBL3329527,6.49
+O=C(C1CC1)N1CC2CC(C1)N2,CHEMBL3329528,8.52
+CC(=O)N1CC2CC(C1)N2,CHEMBL3329529,6.82
+CCC(=O)N1CC2CC(C1)N2,CHEMBL3329530,8.22
+CCCC(=O)N1CC2CC(C1)N2,CHEMBL3329531,7.85
+CC(C)C(=O)N1CC2CC(C1)N2,CHEMBL3329532,6.89
+O=C(C1CCC1)N1CC2CC(C1)N2,CHEMBL3329533,7.8
+O=C(C1CCCC1)N1CC2CC(C1)N2,CHEMBL3329534,6.8
+O=C(C1CC=CC1)N1CC2CC(C1)N2,CHEMBL3329535,7.29
+O=C(CC1C=CCC1)N1CC2CC(C1)N2,CHEMBL3357969,7.28
+O=C([C@H]1C[C@H]1F)N1CC2CC(C1)N2,CHEMBL3329537,8.96
+O=C([C@@H]1C[C@@H]1F)N1CC2CC(C1)N2,CHEMBL3329538,8.77
+O=C([C@H]1C[C@@H]1F)N1CC2CC(C1)N2,CHEMBL3329539,8.27
+O=C([C@@H]1C[C@H]1F)N1CC2CC(C1)N2,CHEMBL3329540,9.0
+C[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2,CHEMBL3329541,7.66
+C[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2,CHEMBL3329542,8.15
+C[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2,CHEMBL3329543,9.0
+C[C@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2,CHEMBL3329544,7.77
+CC1(C)CC1C(=O)N1CC2CC(C1)N2,CHEMBL3329545,8.41
+O=C(C1CC1(F)F)N1CC2CC(C1)N2,CHEMBL3329546,8.23
+Clc1cncc(N2CCCNCC2)c1,CHEMBL3341967,9.44
+CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL2103769,8.333
+CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL56296,10.05
+CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL55606,9.85
+COc1cccc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1,CHEMBL3746146,6.0
+c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2o1,CHEMBL3747344,6.0
+c1cc2cc(-c3cn(C4CN5CCC4CC5)nn3)ccc2[nH]1,CHEMBL3746799,6.12
diff --git a/chembl_200/CHEMBL1907596.csv b/chembl_200/CHEMBL1907596.csv
new file mode 100644
index 0000000000000000000000000000000000000000..05922e49c47f97642bd7cf26c209aecb98b0e807
--- /dev/null
+++ b/chembl_200/CHEMBL1907596.csv
@@ -0,0 +1,1168 @@
+c1cnc(OCCN2CCCC2)nc1,CHEMBL94035,5.85
+CN1CCC[C@@H]1COc1ccc(Cl)nn1,CHEMBL329768,7.07
+CN1CC[C@H]1COc1ccc(Cl)nn1,CHEMBL92702,7.2
+CN1CCC[C@H]1COc1ccccn1,CHEMBL96797,6.31
+CN1CCC[C@@H]1COc1cnccn1,CHEMBL93459,6.39
+c1cncc(OCCN2CCCC2)c1,CHEMBL328429,6.62
+c1ccc(OCCN2CCCC2)nc1,CHEMBL92975,6.8
+CN1CCC[C@H]1COc1cccnn1,CHEMBL92737,7.38
+CN1CCC(Oc2ccc(Cl)nn2)C1,CHEMBL328367,7.33
+CN1CCC[C@H]1COc1ccc(Cl)nn1,CHEMBL93026,7.54
+CN1CCC[C@H]1COc1cnccn1,CHEMBL328575,7.79
+CN1CCC[C@H]1COc1ccncc1,CHEMBL93146,5.1
+CN1CC[C@@H](Oc2cccnc2)C1,CHEMBL329004,8.35
+CN1CCC(OCc2cccnc2)C1,CHEMBL329338,4.92
+CN1CC[C@H]1COc1cncnc1,CHEMBL93485,8.18
+CN1CCC(Oc2cnccn2)C1,CHEMBL90779,6.44
+CN1CCC[C@H]1COc1ncccn1,CHEMBL93200,5.91
+CN1CC[C@H](Oc2cccnc2)C1,CHEMBL329830,8.57
+Clc1ccc(OC[C@@H]2CCN2)nn1,CHEMBL92037,7.81
+CN1CC[C@H]1COc1cccnn1,CHEMBL94136,7.55
+CN1CCC[C@H]1COc1cncnc1,CHEMBL329682,8.62
+c1cnc(OCCN2CCCC2)cn1,CHEMBL93922,6.25
+c1ncc(OC[C@@H]2CCN2)cn1,CHEMBL328705,9.89
+CN1CCC(Oc2cncnc2)C1,CHEMBL329138,7.93
+Clc1ccc(OCCN2CCCC2)nn1,CHEMBL92085,5.89
+Ic1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1,CHEMBL83608,10.93
+Clc1ncc(OC[C@@H]2CCCN2)cc1-c1ccc(Br)nc1,CHEMBL84154,10.71
+Fc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1,CHEMBL79854,10.18
+Fc1ccc(-c2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1,CHEMBL83986,10.75
+Clc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL439766,10.435
+Clc1ncc(OC[C@@H]2CCCN2)cc1-c1cccnc1,CHEMBL79737,10.68
+Clc1ncc(OCC2CCCN2)cc1CCc1ccncc1,CHEMBL97505,10.96
+CN1CCC1COc1cnc(Cl)c(/C=C/c2ccncc2)c1,CHEMBL320446,10.14
+CN1CCCC1COc1cnc(Cl)c(/C=C/c2cccnc2)c1,CHEMBL95584,10.06
+CN1CCCC1COc1cnc(Cl)c(CCc2ccncc2)c1,CHEMBL95512,10.64
+CN1CCCC1COc1cnc(Cl)c(/C=C/c2ccncc2)c1,CHEMBL99714,10.55
+CN1CCCC1COc1cnc(Cl)c(/C=C/c2ccccn2)c1,CHEMBL316762,9.58
+Clc1ncc(OCC2CCCN2)cc1/C=C/c1cccnc1,CHEMBL316539,10.55
+Clc1ncc(OCC2CCCN2)cc1/C=C/c1ccncc1,CHEMBL98923,10.82
+Clc1ncc(OCC2CCCN2)cc1/C=C/c1ccccn1,CHEMBL95576,9.48
+Cc1cc([C@@H]2CC[C@H](C)N2C)on1,CHEMBL80526,5.3
+Cc1cc([C@@H]2[C@@H](COC(=S)Oc3ccccc3)CCN2C)on1,CHEMBL80575,6.08
+CCCC[C@H]1CC[C@@H](c2cc(C)no2)N1C,CHEMBL80497,5.44
+Cc1cc([C@@H]2CC[C@@H](c3ccccc3)N2C)on1,CHEMBL76999,5.1
+Cc1cc([C@@H]2CC[C@@H](C)N2C)on1,CHEMBL76773,7.15
+CCCC[C@@H]1CC[C@@H](c2cc(C)no2)N1C,CHEMBL77175,5.99
+COC(=O)CC1CC[C@@H](c2cc(C)no2)N1C,CHEMBL76631,5.46
+CN1CCN=C1Cc1ccc(Br)nc1,CHEMBL349250,8.14
+c1cncc(C2CCCN2)c1,CHEMBL1132,7.52
+Cc1ncccc1C1CCCN1C,CHEMBL160034,5.67
+CCN1CCCC1c1cccnc1,CHEMBL163042,7.77
+CN1CCN=C1Cc1ccc(Cl)nc1,CHEMBL349623,8.48
+CN1CCN=C1Cc1ccc(-c2ccccc2)nc1,CHEMBL351320,5.49
+c1cncc(CC2=NCCN2)c1,CHEMBL343169,6.49
+c1cncc(C2=NCCC2)c1,CHEMBL423429,5.48
+COc1ccc(C2CCCN2C)cn1,CHEMBL292114,7.66
+CN1CCCC1c1cnc2ccccc2c1,CHEMBL161944,7.96
+CN1CCCC1c1ccc(Cl)nc1,CHEMBL70050,9.213
+COc1ccc(CC2=NCCN2C)cn1,CHEMBL163748,7.34
+c1ccc(CN2CCN=C2Cc2cccnc2)cc1,CHEMBL141612,6.07
+CN1CCN=C1c1cccnc1,CHEMBL329602,6.69
+CN1CCN=C1Cc1cnc2ccccc2c1,CHEMBL163244,7.42
+c1ccc(CN2CCCC2c2cccnc2)cc1,CHEMBL163552,6.44
+CN1CCCC1c1ccc(-c2ccccc2)nc1,CHEMBL350748,5.03
+CN1CCCC1c1ccc(Br)nc1,CHEMBL58231,9.317
+CCN1CCN=C1Cc1cccnc1,CHEMBL356996,6.82
+Cc1ncccc1CC1=NCCN1C,CHEMBL351446,5.27
+CN1CCN=C1Cc1cccnc1,CHEMBL313631,8.11
+CNCC/C=C/c1cccnc1,CHEMBL132966,7.59
+CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1,CHEMBL335712,10.4
+CC(=O)C1=CCCC2CCC1N2,CHEMBL25619,8.93
+c1cncc(N2CCCNCC2)c1,CHEMBL71085,9.14
+c1cncc(C2C3CCN2CC3)c1,CHEMBL130814,8.675
+CN1CCC[C@@]12CCc1ccncc12,CHEMBL2111861,6.83
+CN1CCC[C@]12CCc1ccncc12,CHEMBL2112670,8.32
+c1cc2c(cn1)[C@@]1(CCCN1)CC2,CHEMBL2112671,7.27
+c1cc2c(cn1)[C@]1(CCCN1)CC2,CHEMBL2111860,6.27
+c1cc2c(cn1)[C@@H]1N3CCC1(CC3)C2,CHEMBL2111859,5.87
+c1cc2c(cn1)[C@H]1N3CCC1(CC3)C2,CHEMBL2112676,6.02
+Cc1ncccc1OC[C@@H]1CCCN1,CHEMBL127071,7.643
+C1=C(c2ccccn2)C2CC[C@H](CC1)N2,CHEMBL327104,5.81
+C1=C(c2cccnn2)C2CC[C@H](CC1)N2,CHEMBL111008,8.59
+C1=C(c2ccncc2)C2CC[C@H](CC1)N2,CHEMBL323045,4.96
+O=C1OCC2(CN3CCC2CC3)O1,CHEMBL338698,5.66
+CCN1CC2(CN3CCC2CC3)OC1=O,CHEMBL129951,6.77
+O=C1NCC2(CN3CCC2CC3)N1,CHEMBL422259,4.96
+CN1C(=O)NCC12CN1CCC2CC1,CHEMBL130124,4.46
+Clc1ccc(N2CC3CCC(C2)N3)nn1,CHEMBL129801,5.39
+CC(=O)OC1CC2CCCC1N2C,CHEMBL294273,5.82
+CC(=O)O[C@@H]1CCC2CCC1N2,CHEMBL2114478,4.62
+COC(=O)[C@H]1CC2NC1CC[C@H]2O,CHEMBL2114477,4.19
+CC(=O)O[C@H]1CCC2CCC1N2,CHEMBL2115495,4.49
+COC(=O)C1CC2CCCC1N2,CHEMBL64788,6.82
+COC(=O)[C@H]1CC2NC1CC[C@@H]2O,CHEMBL2115494,5.4
+COC(=O)C1=CCC2CCC1N2C,CHEMBL412663,5.05
+COC(=O)C1=CCCN(C)C1,CHEMBL7303,6.57
+CC(=O)OC1CC2CCCC1N2,CHEMBL64000,5.52
+Clc1ccc2c(n1)CCC1C3CCC(N3)C21,CHEMBL170873,6.53
+Clc1cc2c(cn1)C1(CC2)CC2CCC1N2,CHEMBL173610,4.53
+Clc1ccc2c(n1)CCC21CC2CCC1N2,CHEMBL367641,5.16
+Clc1cc2c(cn1)C1C3CCC(N3)C1CC2,CHEMBL425135,7.14
+c1ccc2c(c1)ccc[n+]2CCCCCC[n+]1cccc2ccccc21,CHEMBL430870,4.41
+c1cc[n+](CCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL105794,4.73
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL105440,5.81
+c1cc[n+](CCCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL102757,5.04
+C[N+](C)(C)CCCCCC[N+](C)(C)C,CHEMBL105608,4.66
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL320514,5.3
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL106542,6.48
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL510275,5.825
+c1ccc2c(c1)ccc[n+]2CCCCCCCCCCC[n+]1cccc2ccccc21,CHEMBL105257,4.42
+c1ccc2c[n+](CCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104265,4.18
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL420649,5.71
+C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,CHEMBL1134,5.24
+CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL104461,4.7
+c1cc[n+](CCCCCCCCC[n+]2ccccc2)cc1,CHEMBL105742,4.62
+c1ccc2c[n+](CCCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL105537,5.21
+c1ccc2c(c1)ccc[n+]2CCCCCCCCC[n+]1cccc2ccccc21,CHEMBL105017,4.65
+Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1,CHEMBL54331,4.31
+c1ccc2c[n+](CCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104553,5.1
+c1cc[n+](CCCCC[n+]2ccccc2)cc1,CHEMBL103044,4.0
+c1cc[n+](CCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL430886,4.85
+c1cc[n+](CCCCCC[n+]2ccccc2)cc1,CHEMBL104381,4.01
+c1cc[n+](CCCCCCCC[n+]2ccccc2)cc1,CHEMBL105106,4.46
+COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,CHEMBL1687,5.01
+Cc1ccc[n+](CCCCCCCCCCC[n+]2cccc(C)c2)c1,CHEMBL52918,4.16
+c1ccc2c[n+](CCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104613,5.04
+Cc1ccc[n+](CCCCCCCCC[n+]2cccc(C)c2)c1,CHEMBL53780,4.1
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL105342,6.37
+CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL293527,4.705
+c1ccc2c[n+](CCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL323144,4.75
+O=C(CCl)Nc1ccc(C2CC3CCC2N3)cn1,CHEMBL268176,7.79
+COC(=O)Nc1ccc(C2CC3CCC2N3)cn1,CHEMBL267191,5.09
+Clc1ncc(C2CC3CCC2N3)cn1,CHEMBL6489,9.51
+C1=C(c2cccnc2)C2CCC(CC1)N2,CHEMBL444572,9.37
+C1=C(c2cnccc2-c2ccccc2)C2CCC(CC1)N2,CHEMBL93983,6.63
+C1=C(c2ccc(-c3ccccc3)nc2)C2CCC(CC1)N2,CHEMBL329084,7.67
+C1=C(c2cncc(-c3ccccc3)c2)C2CCC(CC1)N2,CHEMBL96828,8.32
+CN1CCC[C@H]1COc1cncc(-c2ccc(F)c(Cl)c2)c1,CHEMBL156452,10.26
+CN1CCC[C@H]1COc1cncc(CCc2ccccc2)c1,CHEMBL156502,9.66
+Cc1ccccc1-c1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL345206,8.96
+CN1CCC[C@H]1COc1cncc(/C=C/c2ccccc2)c1,CHEMBL158162,9.62
+CN1CCC[C@H]1COc1cncc(/C=C/c2ccncc2)c1,CHEMBL446684,9.92
+COc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1,CHEMBL160447,9.49
+CN1CCC[C@H]1COc1cncc(CCc2ccncc2)c1,CHEMBL160766,10.19
+CN1CCC[C@H]1COc1cncc(-c2ccc(C(F)(F)F)cc2)c1,CHEMBL155909,9.82
+Cc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1,CHEMBL156204,9.89
+CN1CCC[C@H]1COc1cncc(-c2ccc(Cl)cc2)c1,CHEMBL157188,10.09
+CN1CCC[C@H]1COc1cncc(-c2cccc([N+](=O)[O-])c2)c1,CHEMBL158834,9.33
+CN1CCC[C@H]1COc1cncc(-c2ccc3ccccc3c2)c1,CHEMBL160624,9.48
+CN1CCC[C@H]1COc1cncc(-c2ccc(Cl)cc2Cl)c1,CHEMBL157250,9.8
+CN1CCC[C@H]1COc1cncc(-c2cccnc2)c1,CHEMBL346981,9.57
+CN1CCC[C@H]1COc1cncc(-c2ccc(F)cc2)c1,CHEMBL348275,9.96
+CN1CCC[C@H]1COc1cncc(-c2cccs2)c1,CHEMBL349544,9.51
+CN1CCC[C@H]1COc1cncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1,CHEMBL352018,8.62
+CN1CCC[C@H]1COc1cncc(-c2cncnc2)c1,CHEMBL160321,9.43
+CN1CCC[C@H]1COc1cncc(-c2cccc(N)c2)c1,CHEMBL158529,9.37
+CN1CCC[C@H]1COc1cncc(-c2ccccc2)c1,CHEMBL156048,9.96
+CN1CCC[C@H]1COc1cncc(-c2ccccc2C=O)c1,CHEMBL158944,9.25
+CN1CCC[C@H]1COc1cncc(-c2ccco2)c1,CHEMBL158331,9.72
+CN1CCC[C@H]1COc1cncc(-c2cccc3ccccc23)c1,CHEMBL160950,8.38
+CN1CCC[C@H]1COc1cncc(-c2cnc3ccccc3c2)c1,CHEMBL157135,9.41
+CN1CCC[C@H]1COc1cncc(-c2cc3ccccc3n2C)c1,CHEMBL347133,9.49
+CN1CCC[C@H]1COc1cncc(-c2cc3ccccc3o2)c1,CHEMBL159136,9.82
+Cc1ccc(C#Cc2cncc(OC[C@@H]3CCCN3C)c2)cc1,CHEMBL156049,9.51
+Fc1ccc(C2CC3CCC2N3)cn1,CHEMBL56682,10.568
+CN1CCCC1c1ccc(N)nc1,CHEMBL70774,7.09
+CN1CCCC1c1ccc(=O)[nH]c1,CHEMBL72010,5.97
+CN1CCCC1c1ccc(F)nc1,CHEMBL72470,8.99
+C1=C(c2ccnnc2)C2CC[C@H](CC1)N2,CHEMBL10585,7.72
+Clc1ccc(C2CC3CCC2N3CCCCCCCCCCN2C3CCC2C(c2ccc(Cl)nc2)C3)cn1,CHEMBL56045,7.67
+Clc1ccc(C2CC3CCC2N3CCN2C3CCC2C(c2ccc(Cl)nc2)C3)cn1,CHEMBL417586,8.03
+Clc1ccc(C2CC3CCC2N3CCCN2C3CCC2C(c2ccc(Cl)nc2)C3)cn1,CHEMBL55732,7.8
+Clc1ccc(C2CC3CCC2N3CCCCCCN2C3CCC2C(c2ccc(Cl)nc2)C3)cn1,CHEMBL53620,8.04
+C[N+](C)(C)CCOC(N)=O,CHEMBL14,6.23
+Ic1cncc(O[C@H]2CCN2)c1,CHEMBL55138,10.21
+C[N+](C)(C)CCO,CHEMBL920,4.43
+CC1(C)CN[C@H]1COc1ccc(Cl)nc1,CHEMBL96136,7.43
+Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL96431,10.33
+CC(=O)NCc1cncc(OC[C@@H]2CCN2)c1,CHEMBL94528,9.27
+c1ccc(-c2ccc(OC[C@@H]3CCN3)cn2)cc1,CHEMBL95154,8.64
+C[C@@H]1CN[C@H]1COc1ccc(Cl)nc1,CHEMBL97482,8.12
+COc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL97288,8.89
+Clc1cncc(OC[C@@H]2CCN2)c1,CHEMBL95113,10.45
+Clc1ncccc1OC[C@@H]1CCN1,CHEMBL94843,8.64
+Brc1ccc(OC[C@H]2CCN2)cn1,CHEMBL314303,9.77
+Fc1ccc(OC[C@H]2CCN2)cn1,CHEMBL446410,10.18
+Fc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL318121,10.42
+Brc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL407258,10.68
+Clc1cncc(OC[C@H]2CCN2)c1,CHEMBL95132,9.92
+N#Cc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL327164,8.72
+c1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1,CHEMBL96201,10.34
+N#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL94683,10.6
+Oc1cncc(OC[C@H]2CCN2)c1,CHEMBL95128,10.06
+Cc1ncccc1OC[C@@H]1CCN1,CHEMBL441069,8.87
+Clc1ccncc1OC[C@H]1CCN1,CHEMBL318227,7.92
+NCc1cncc(OC[C@@H]2CCN2)c1,CHEMBL94626,8.36
+Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccccc1,CHEMBL318869,10.66
+O=[N+]([O-])c1cncc(OC[C@@H]2CCN2)c1,CHEMBL317486,9.48
+Cc1cncc(OC[C@H]2CCN2)c1,CHEMBL97314,9.8
+Cc1nc(Cl)ccc1OC[C@@H]1CCN1,CHEMBL94853,8.62
+FC(F)(F)c1cncc(OC[C@@H]2CCN2)c1,CHEMBL96630,9.31
+Clc1ccncc1OC[C@@H]1CCN1,CHEMBL93934,6.59
+Clc1cc(OC[C@@H]2CCN2)cnc1Cl,CHEMBL97555,10.64
+Clc1ncccc1OC[C@H]1CCN1,CHEMBL432216,7.07
+Cc1ccc(OC[C@H]2CCN2)cn1,CHEMBL94670,10.28
+COc1ccc(OC[C@H]2CCN2)cn1,CHEMBL94304,9.17
+CCCc1cncc(OC[C@@H]2CCN2)c1,CHEMBL96837,10.41
+Cc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL94877,10.24
+Fc1cncc(OC[C@@H]2CCN2)c1,CHEMBL96527,10.36
+CCc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL94942,7.72
+C=Cc1ccc(OC[C@@H]2CCN2)cn1,CHEMBL92038,8.9
+Nc1cncc(OC[C@@H]2CCN2)c1,CHEMBL94207,10.09
+CCc1cncc(OC[C@@H]2CCN2)c1,CHEMBL96370,10.0
+CCOc1cncc(OC[C@@H]2CCN2)c1,CHEMBL96604,10.41
+Clc1ccc(OC[C@H]2CCN2)cn1,CHEMBL430497,10.4
+Clc1ncc(OC[C@@H]2CCN2)cc1Br,CHEMBL317087,10.82
+Fc1ncccc1OC[C@H]1CCN1,CHEMBL318726,9.4
+c1cncc(CCN2C3CCC2CC3)c1,CHEMBL102304,5.65
+c1cncc(CCCN2C3CCC2CC3)c1,CHEMBL319190,4.57
+Clc1ccc(CN2C3CCC2CC3)cn1,CHEMBL323143,6.61
+c1cncc(CN2C3CCC2CC3)c1,CHEMBL104700,7.01
+c1ccc(CN2C3CCC2CC3)nc1,CHEMBL104699,4.5
+CN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1,CHEMBL141379,7.67
+CN1CCCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1,CHEMBL143448,5.81
+CN1CCCC[C@H]1[C@H]1CCc2cccc(O)c2O1,CHEMBL142388,5.79
+CN1CCCC[C@H]1[C@H]1CCc2ccc(O)cc2O1,CHEMBL143572,7.03
+CN1CCCC[C@H]1[C@@H]1CCc2ccccc2O1,CHEMBL357267,4.21
+CN1CCCC[C@H]1[C@@H]1CCc2cccc(O)c2O1,CHEMBL143308,5.78
+CN1CCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1,CHEMBL142352,6.77
+CN1CCCC[C@H]1[C@H]1CCc2ccccc2O1,CHEMBL142326,5.21
+Cc1ncccc1OC[C@H]1CCCN1,CHEMBL126692,7.77
+CN1CCC[C@@H]1c1cccnc1,CHEMBL9732,7.313
+N#[N+][N-]c1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55716,10.57
+Fc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL54686,10.6
+Clc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL417027,10.85
+Clc1ncc(C2CC3CCC2N3)cc1Br,CHEMBL56340,10.89
+Clc1ncc(C2CC3CCC2N3)cc1-c1ccccc1,CHEMBL291961,10.545
+Nc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55661,11.0
+Fc1ncc(C2CC3CCC2N3)cc1-c1ccccc1,CHEMBL58935,9.533
+Fc1ncc([C@@H]2C[C@H]3CC[C@@H]2N3)cc1-c1ccccc1,CHEMBL58881,9.62
+Fc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1ccccc1,CHEMBL56064,9.59
+CN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2,CHEMBL300996,9.96
+CCCN1C2CCC1C(c1ccc(Cl)nc1)C2,CHEMBL57337,7.97
+Cc1ccc(C2CC3CCC2N3)cn1,CHEMBL56806,9.89
+CN1[C@H]2CC[C@@H]1C[C@H]2c1ccc(Cl)nc1,CHEMBL55003,9.59
+c1cc[n+](CCCCCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL54580,5.04
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1,CHEMBL54826,5.71
+CCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL55479,4.42
+CCCCCCCCCC[n+]1ccccc1,CHEMBL55297,4.77
+CCCCCCCCC[n+]1cccc(C)c1,CHEMBL57729,4.21
+CCCCCCCCCC[n+]1cccc(C)c1,CHEMBL416496,4.59
+CN1C2CCC1C(c1ccc(Cl)nc1)C2,CHEMBL291498,10.57
+CCN1C2CCC1C(c1ccc(Cl)nc1)C2,CHEMBL57395,7.87
+CN1CCN(c2ccncc2)CC1,CHEMBL126348,6.77
+C[N+]1(C)CCN(C2=CC(=O)CC2)CC1,CHEMBL128682,6.07
+C[N+]1(C)CCC(c2ccccc2)CC1,CHEMBL125636,6.22
+C[N+]1(C)CCN(c2cccc(N)c2)CC1,CHEMBL126487,8.64
+COc1cccc(N2CC[N+](C)(C)CC2)c1,CHEMBL129291,6.05
+C[N+]1(C)CCN(c2ccc(O)cc2)CC1,CHEMBL128196,5.62
+C1=C(c2cccnc2)CCNC1,CHEMBL554657,5.96
+C[N+]1(C)CCN(c2ccccn2)CC1,CHEMBL126030,6.3
+Cc1cccc(N2CC[N+](C)(C)CC2)c1,CHEMBL126607,5.72
+CN1CCN(c2cccc([N+](=O)[O-])c2)CC1,CHEMBL126427,5.71
+COc1ccc(N2CC[N+](C)(C)CC2)cc1,CHEMBL131467,7.4
+CC(=O)Oc1cccc(N2CCN(C)CC2)c1,CHEMBL341158,6.1
+CN1CCC(c2cccnc2)CC1,CHEMBL542222,5.92
+CC(=O)Nc1cccc(N2CC[N+](C)(C)CC2)c1,CHEMBL125904,6.07
+Clc1ccc(N2CCNCC2)nn1,CHEMBL127023,5.99
+C[N+]1(C)CCN(c2cccc(Cl)c2)CC1,CHEMBL131223,7.1
+C[N+]1(C)CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL129481,5.92
+C[N+]1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1,CHEMBL125353,7.66
+C[N+]1(C)CCN(c2cccc(C#N)c2)CC1,CHEMBL126452,6.52
+C[N+]1(C)CCN(c2cccc(O)c2)CC1,CHEMBL128610,8.1
+CN1CCN(c2cccc(N)c2)CC1,CHEMBL129399,6.74
+C[N+]1(C)CCN(c2ccc(Cl)cc2)CC1,CHEMBL128246,5.62
+CC(=O)Oc1cccc(N2CC[N+](C)(C)CC2)c1,CHEMBL129790,8.17
+C[N+]1(C)CCN(c2ccc(F)cc2)CC1,CHEMBL128847,6.38
+c1cnnc(N2CCNCC2)c1,CHEMBL129266,6.19
+C[N+]1(C)CCN(c2cccc(F)c2)CC1,CHEMBL126197,7.66
+CN1CCN(c2cccnn2)CC1,CHEMBL337220,6.41
+CN1CC=C(c2cccnc2)CC1,CHEMBL553292,5.92
+c1cncc(N2CCNCC2)c1,CHEMBL125357,7.05
+C[N+]1(C)CCN(C2=CC(=O)CCC2)CC1,CHEMBL126498,5.84
+C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1,CHEMBL129827,8.35
+CN1CCN(c2cccnc2)CC1,CHEMBL126517,7.05
+C[N+]1(C)CC=C(c2ccccc2)CC1,CHEMBL129772,6.12
+CN1CCN(c2cccc(F)c2)CC1,CHEMBL125804,5.19
+C[N+]1(C)CCN(c2ccc3c(c2)OCO3)CC1,CHEMBL129232,6.17
+Brc1ncccc1OC[C@@H]1CCN1,CHEMBL125779,9.62
+Ic1ccc(OC[C@@H]2CCN2)cn1,CHEMBL123435,9.82
+O=C1NC[C@@]2(CN3CCC2CC3)O1,CHEMBL193016,4.8
+O=C1NCC2(CN3CCC2CC3)O1,CHEMBL293975,4.66
+c1cc(CN2CCN(C[C@@H]3CCCN3)CC2)ccn1,CHEMBL6334,4.34
+CN1CCC[C@H]1CN1CCN(Cc2ccncc2)CC1,CHEMBL268831,4.41
+CN1CCC[C@H]1CN1CCN(Cc2cccnc2)CC1,CHEMBL267915,4.5
+O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1,CHEMBL266220,4.22
+CN1CCCCC1CN1CCN(Cc2cccnc2)CC1,CHEMBL268830,4.49
+c1cncc([C@@H]2CCCN2)c1,CHEMBL6200,7.48
+O=C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1,CHEMBL6346,4.26
+CN1CCCCC1CN1CCN(Cc2ccncc2)CC1,CHEMBL6277,4.38
+CCN(CC)C(=O)c1ccncc1OC[C@@H]1CCCN1C,CHEMBL310893,5.55
+CCCc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL86079,9.92
+CN1CCC[C@H]1COc1cncc(C(F)(F)F)c1,CHEMBL86004,8.74
+CN1CCC[C@H]1COc1ccc(F)nc1,CHEMBL86212,8.59
+CN1CCC[C@H]1COc1ccc(Cl)nc1,CHEMBL84887,9.19
+CCc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL85998,9.49
+CN1CCC[C@H]1COc1ccc(Br)nc1,CHEMBL84827,8.72
+CCCCc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL312964,9.8
+CCNc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL84537,8.43
+CN1CCC[C@H]1COc1cncc(C(=O)N2CCCC2)c1,CHEMBL82954,7.7
+Cc1ccc(OC[C@@H]2CCCN2C)cn1,CHEMBL86162,8.9
+Cc1ccncc1OC[C@@H]1CCCN1C,CHEMBL315212,8.39
+CSc1ncccc1OC[C@@H]1CCCN1C,CHEMBL314922,6.25
+CN1CCC[C@H]1COc1cccnc1I,CHEMBL86055,6.22
+CN1CCC[C@H]1COc1cnccc1Br,CHEMBL85956,7.55
+CN1CCC[C@H]1COc1cncc(Br)c1,CHEMBL82494,9.57
+CN1CCC[C@H]1COc1cccnc1[N+](=O)[O-],CHEMBL314597,5.05
+CC(C)Cc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL83009,9.68
+Cc1ncccc1OC[C@@H]1CCCN1C,CHEMBL84692,7.64
+CN1CCC[C@H]1COc1cccnc1Br,CHEMBL312962,6.35
+CN1CCC[C@H]1COc1cncc(Cl)c1,CHEMBL82322,9.22
+CN1CCC[C@H]1COc1cc(Br)c[n+]([O-])c1,CHEMBL84936,7.46
+CN1CCC[C@H]1COc1cncc(N)c1,CHEMBL312810,9.2
+Cc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL83473,9.32
+CN1CCC[C@H]1COc1cncc([N+](=O)[O-])c1,CHEMBL85778,8.33
+CCCCCCc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL86286,9.49
+CN1CCC[C@H]1COc1cncc(F)c1,CHEMBL83133,9.16
+CN1CCC[C@H]1COc1ccc(CO)nc1,CHEMBL412372,7.01
+CC(=O)c1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL85555,8.92
+COC(=O)c1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL85755,8.84
+c1ccc2c(c1)CC1CNCC2C1,CHEMBL373144,7.19
+COc1ccc2c(c1)CC1CNCC2C1,CHEMBL187992,8.49
+COc1ccc2c(c1)C1CNCC(C2)C1,CHEMBL190750,7.05
+Oc1ccc2c(c1)C1CNCC(C2)C1,CHEMBL363791,7.12
+O=[N+]([O-])c1ccc2c(c1)C1CNCC2C1,CHEMBL535600,9.12
+c1ccc2c(c1)C1CNCC2C1,CHEMBL192387,7.7
+Fc1ncc(C2CC3CCC2N3)cc1-c1cccc(Cl)c1,CHEMBL185061,10.145
+Fc1ncc(C2CC3CCC2N3)cc1-c1ccc(Cl)cc1,CHEMBL185612,10.323
+O=[N+]([O-])c1cccc(-c2cc(C3CC4CCC3N4)cnc2F)c1,CHEMBL185591,10.29
+Nc1cccc(-c2cc(C3CC4CCC3N4)cnc2F)c1,CHEMBL184633,9.8
+Nc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1,CHEMBL184809,10.035
+COc1cccc(-c2cc(C3CC4CCC3N4)cnc2F)c1,CHEMBL184320,9.92
+COc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1,CHEMBL181428,10.22
+CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21,CHEMBL21553,6.22
+CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1,CHEMBL282473,7.39
+CN1CC[C@H]2CCc3ncccc3[C@H]21,CHEMBL281410,4.91
+CN1CCC[C@H]1COc1cncc(C#CC(C)(C)O)c1,CHEMBL180525,8.54
+CN1CCC[C@H]1COc1cncc(C#CCO)c1,CHEMBL175428,9.03
+CN1CCC[C@H]1COc1cncc(C#CCCCCO)c1,CHEMBL174531,9.07
+CN1CCC[C@H]1COc1cncc(C#CCCCCCCCCO)c1,CHEMBL175639,8.21
+CN1CCC[C@H]1COc1cncc(C#CCCCCF)c1,CHEMBL176171,9.02
+C#Cc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL360881,8.8
+CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL174543,8.85
+CN1CC[C@@H]2CCc3ccncc3[C@@H]21,CHEMBL417278,6.4
+Fc1cncc(C2CC3CCC2N3)c1,CHEMBL360565,10.43
+Clc1cncc(C2CC3CCC2N3)c1,CHEMBL178369,10.26
+Brc1cncc(C2CC3CCC2N3)c1,CHEMBL178532,10.3
+Ic1cncc(C2CC3CCC2N3)c1,CHEMBL369147,10.3
+Nc1cncc(C2CC3CCC2N3)c1,CHEMBL176110,10.01
+C=Cc1cncc(C2CC3CCC2N3)c1,CHEMBL354910,9.59
+C#Cc1cncc(C2CC3CCC2N3)c1,CHEMBL178606,10.7
+CN1C2CCC1C(c1cncc(I)c1)C2,CHEMBL359940,10.54
+Clc1ccc([C@@H]2CC3CNC2C3)cn1,CHEMBL186302,10.46
+Clc1ccc([C@@H]2CC3CC2CN3)cn1,CHEMBL186070,10.3
+Clc1ccc(C2CC3CCC2CN3)cn1,CHEMBL187309,9.47
+Clc1ccc(C2CC3CCC2NC3)cn1,CHEMBL361298,9.33
+Clc1ccc(C2CC3CNC32)cn1,CHEMBL185662,8.41
+Clc1ccc(C2CC3NCC32)cn1,CHEMBL185955,8.3
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Cl)s1,CHEMBL192704,5.74
+Clc1ccc(C2CCC3CCC2N3)cn1,CHEMBL366126,8.8
+CN1C2C=C(c3cccnc3)CC1CC2,CHEMBL370464,8.68
+c1cncc(OCC2CCN2)c1,CHEMBL190589,10.3
+CN1CCCC1COc1cccnc1,CHEMBL189064,9.82
+CN1CCCC1COc1cncnc1,CHEMBL190524,8.62
+CN1CCCC1c1cc2ncccc2o1,CHEMBL362789,8.57
+CN1CCCC1COc1cnccn1,CHEMBL193047,7.79
+CN1CCCC1COc1ccc(Cl)nn1,CHEMBL190882,7.54
+CN1CCCC1COc1ccccn1,CHEMBL365379,6.31
+CN1CCCC1COc1ccncc1,CHEMBL190308,5.1
+CN1CCCC1c1ccc(CC(O)c2ccccc2)nc1,CHEMBL363379,6.56
+CN1CCCC1c1ccc(/C=C/c2ccccc2)nc1,CHEMBL190678,6.46
+CN1CCCC1c1ccc(CCc2ccc(Cl)cc2)nc1,CHEMBL189470,7.4
+COc1ccc(CCc2ccc(C3CCCN3C)cn2)cc1,CHEMBL190652,8.0
+CCN(C)CCc1cccnc1,CHEMBL191253,7.74
+Cc1ccc(C2CCCN2C)cn1,CHEMBL294757,8.74
+CCc1ccc(C2CCCN2C)cn1,CHEMBL103225,8.25
+CCCc1ccc(C2CCCN2C)cn1,CHEMBL103537,7.77
+C/C=N\OC[C@@H]1CCCN1C,CHEMBL185124,6.48
+C/C=N\OC[C@H]1CCCN1C,CHEMBL361293,5.24
+CC(C)O/N=C/[C@@H]1CCCN1C,CHEMBL187861,5.82
+CC(C)O/N=C/[C@H]1CCCN1C,CHEMBL362727,5.26
+CC(C)O/N=C\[C@@H]1CCCN1C,CHEMBL364986,5.72
+CC(C)O/N=C\[C@H]1CCCN1C,CHEMBL412407,4.84
+CC(C)=NOC[C@@H]1CCCN1C,CHEMBL186295,6.28
+CC(C)=NOC[C@H]1CCCN1C,CHEMBL187098,4.8
+CC=NOC[C@@H]1CCCN1C,CHEMBL2096794,6.17
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL122270,7.4
+CN1[C@H](/C=C/c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL372435,4.94
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL333465,4.83
+C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL190113,4.61
+C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1,CHEMBL188912,4.79
+Clc1ccc2c(c1)C1CNCC2C1,CHEMBL198773,8.8
+Fc1cc2c(cc1F)C1CNCC2C1,CHEMBL365524,9.55
+c1c[nH]c(-c2ccc3c(c2)C2CNCC3C2)c1,CHEMBL197900,7.17
+c1cc(-c2ccc3c(c2)C2CNCC3C2)c[nH]1,CHEMBL197952,6.92
+c1ccc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)cc1,CHEMBL198659,6.41
+c1cc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)c[nH]1,CHEMBL197022,6.44
+Clc1ccc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)cc1,CHEMBL199183,7.11
+COc1ccc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)cc1,CHEMBL197332,7.59
+Clc1ccc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)c(Cl)c1,CHEMBL196006,7.06
+c1cnc2cc3c(cc2c1)C1CNCC3C1,CHEMBL197690,8.8
+O=c1ccc2cc3c(cc2[nH]1)C1CNCC3C1,CHEMBL381225,8.07
+Clc1ccc2cc3c(cc2n1)C1CNCC3C1,CHEMBL198279,9.57
+Cc1ccc2cc3c(cc2n1)C1CNCC3C1,CHEMBL197223,9.12
+COc1ccc2cc3c(cc2n1)C1CNCC3C1,CHEMBL197224,7.52
+Cc1cnc2cc3c(cc2c1)C1CNCC3C1,CHEMBL442793,9.19
+CCc1cnc2cc3c(cc2c1)C1CNCC3C1,CHEMBL197609,8.92
+c1ccc(-c2cnc3cc4c(cc3c2)C2CNCC4C2)cc1,CHEMBL197644,6.88
+Cc1ccnc2cc3c(cc12)C1CNCC3C1,CHEMBL381668,8.74
+c1ccc(-c2nc3cc4c(cc3[nH]2)C2CNCC4C2)cc1,CHEMBL198424,7.85
+CCc1nc2cc3c(cc2o1)C1CNCC3C1,CHEMBL362920,7.92
+CC(C)c1nc2cc3c(cc2o1)C1CNCC3C1,CHEMBL196150,8.12
+c1ccc(Cc2nc3cc4c(cc3o2)C2CNCC4C2)cc1,CHEMBL196201,7.0
+c1cc2cc3c(cc2cn1)C1CNCC3C1,CHEMBL197172,8.64
+Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2Cl)cc1,CHEMBL197526,10.24
+COc1ccc(-c2cc(C3CC4CCC3N4)cnc2Cl)cc1,CHEMBL372133,10.47
+Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1,CHEMBL197830,10.55
+Cc1cccc(-c2cc(C3CC4CCC3N4)cnc2F)c1,CHEMBL382533,9.05
+N#Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1,CHEMBL372638,10.41
+Fc1ncc(C2CC3CCC2N3)cc1-c1ccc(Cl)c(Cl)c1,CHEMBL372326,9.55
+Cc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccc1F,CHEMBL197725,8.9
+CN1C2CCC1C(c1cnc(Cl)c(-c3ccccc3)c1)C2,CHEMBL198228,10.49
+COc1ccncc1C1CCCN1C,CHEMBL370168,5.7
+CN1CCCC1c1cnccc1N,CHEMBL193763,5.5
+COc1cncc(C2CCCN2C)c1,CHEMBL303530,7.85
+Cc1cncc(C2CCCN2C)c1,CHEMBL364003,8.74
+CCCc1cncc(C2CCCN2C)c1,CHEMBL382287,8.68
+CCNCCc1cccnc1,CHEMBL372654,5.75
+CCN(C)CCc1cnccc1OC,CHEMBL196501,5.74
+CCN(C)CCc1cncc(Br)c1,CHEMBL195929,6.44
+CCN(C)CCc1cncc(Cl)c1,CHEMBL195979,6.51
+CCN(C)CCc1cncc(OC)c1,CHEMBL194593,7.72
+CCN(C)CCc1cncc(C)c1,CHEMBL370210,6.43
+CCCc1cncc(CCN(C)CC)c1,CHEMBL427182,7.28
+CCN(C)CCc1ccc(C)nc1,CHEMBL196464,6.62
+CCN(C)CCc1ccc(Cl)nc1,CHEMBL196465,7.15
+CCN(C)CCc1ccc(Br)nc1,CHEMBL195950,7.08
+CCC(=O)[C@H]1C2CNCC(C2)c2cccc(=O)n21,CHEMBL205379,4.72
+COC(=O)[C@H]1C2CNCC(C2)c2cccc(=O)n21,CHEMBL205330,4.47
+Cc1ccc(-c2ccc3n(c2=O)CC2CNCC3C2)s1,CHEMBL208066,6.165
+CCCCc1ccc(-c2ccc3n(c2=O)CC2CNCC3C2)cc1,CHEMBL378809,4.885
+O=c1ccccn1CC1CCCNC1,CHEMBL205267,5.75
+O=c1ccccn1CC1CCN(Cc2ccccc2)CC1,CHEMBL205230,5.89
+O=c1ccccn1CC1CCNCC1,CHEMBL206887,5.8
+O=c1ccccn1CC1CCCN(Cc2ccccc2)C1,CHEMBL204995,6.27
+CN1CCCC(Cn2ccccc2=O)C1,CHEMBL380841,6.01
+CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL2103769,8.54
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL122317,5.75
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL377539,4.47
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL125511,5.63
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL124219,5.01
+CN1[C@H](/C=C/c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL425617,5.38
+c1cncc(N2CC[C@H]3CN[C@H]3C2)c1,CHEMBL373553,10.46
+Brc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Br,CHEMBL376907,10.855
+Clc1cc(N2CC[C@@H]3CN[C@@H]3C2)cnc1Cl,CHEMBL506353,10.57
+Clc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Cl,CHEMBL219194,10.605
+Brc1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL481184,10.28
+Brc1cncc(N2CC[C@H]3CN[C@H]3C2)c1,CHEMBL375790,10.615
+Clc1ccc(N2CC[C@@H]3CN[C@@H]3C2)cn1,CHEMBL479614,10.495
+Clc1ccc(N2CC[C@H]3CN[C@H]3C2)cn1,CHEMBL373776,10.72
+c1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL479613,10.23
+CCOc1cncc(N2CC[C@H]3CN[C@H]3C2)c1,CHEMBL387339,10.28
+COc1ccc(N2CC[C@@H]3CN[C@@H]3C2)cn1,CHEMBL481193,8.57
+COc1ccc(N2CC[C@H]3CN[C@H]3C2)cn1,CHEMBL373763,9.01
+COc1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL480211,9.74
+COc1cncc(N2CC[C@H]3CN[C@H]3C2)c1,CHEMBL269047,10.42
+N#Cc1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL374515,10.19
+N#Cc1cncc(N2CC[C@H]3CN[C@H]3C2)c1,CHEMBL442663,9.92
+Cc1cc(N2CC[C@@H]3CN[C@@H]3C2)cnc1Cl,CHEMBL481977,10.435
+Cc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Cl,CHEMBL218191,10.51
+Brc1cc(N2CC[C@@H]3CN[C@@H]3C2)cnc1Br,CHEMBL448457,10.62
+c1cncc(N2C[C@H]3CCNC[C@H]32)c1,CHEMBL508645,8.955
+c1cncc(N2C[C@@H]3CCNC[C@@H]32)c1,CHEMBL374221,9.915
+N=C(NO)c1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL267490,10.21
+N#Cc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Br,CHEMBL374692,10.57
+COc1cc(N2CC[C@@H]3CN[C@@H]3C2)cnc1Br,CHEMBL451632,10.16
+COc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Br,CHEMBL218192,10.57
+O=[N+]([O-])c1ccc(N2CC[C@@H]3CN[C@@H]3C2)cn1,CHEMBL465916,8.615
+O=[N+]([O-])c1ccc(N2CC[C@H]3CN[C@H]3C2)cn1,CHEMBL219645,8.825
+Cc1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL219644,10.19
+CCOc1cncc(N2CC[C@@H]3CN[C@@H]3C2)c1,CHEMBL479420,9.8
+N#Cc1cncc(N2C[C@H]3CCNC[C@H]32)c1,CHEMBL426879,8.585
+N#Cc1cncc(N2C[C@@H]3CCNC[C@@H]32)c1,CHEMBL468064,9.3
+COc1cc(N2C[C@H]3CCNC[C@H]32)cnc1Br,CHEMBL481002,10.07
+COc1cc(N2C[C@@H]3CCNC[C@@H]32)cnc1Br,CHEMBL384817,8.85
+Cc1cc(N2C[C@H]3CCNC[C@H]32)cnc1Cl,CHEMBL468065,9.62
+Cc1cc(N2C[C@@H]3CCNC[C@@H]32)cnc1Cl,CHEMBL218544,10.37
+Clc1cc(N2C[C@H]3CCNC[C@H]32)cnc1Cl,CHEMBL450667,9.52
+Clc1cc(N2C[C@@H]3CCNC[C@@H]32)cnc1Cl,CHEMBL219302,9.925
+Clc1ccc(N2C[C@H]3CCNC[C@H]32)cn1,CHEMBL451075,9.1
+Clc1ccc(N2C[C@@H]3CCNC[C@@H]32)cn1,CHEMBL220411,9.92
+Clc1ccc(N2CC[C@@H]3CN[C@@H]3C2)nn1,CHEMBL1162937,8.57
+Clc1ccc(N2CC[C@H]3CN[C@H]3C2)nn1,CHEMBL219246,9.825
+c1ncc(N2CC[C@@H]3CN[C@@H]3C2)cn1,CHEMBL1162936,9.705
+c1ncc(N2CC[C@H]3CN[C@H]3C2)cn1,CHEMBL375377,10.395
+c1ncc(N2C[C@@H]3CCNC[C@@H]32)cn1,CHEMBL219452,8.805
+COc1cncc(N2C[C@H]3CCNC[C@H]32)c1,CHEMBL443370,9.25
+COc1cncc(N2C[C@@H]3CCNC[C@@H]32)c1,CHEMBL220351,8.36
+NC(=O)c1cc(N2C[C@H]3CCNC[C@H]32)cnc1Br,CHEMBL463862,8.08
+NC(=O)c1cc(N2C[C@@H]3CCNC[C@@H]32)cnc1Br,CHEMBL376273,8.55
+N#Cc1cc(N2C[C@H]3CCNC[C@H]32)cnc1Br,CHEMBL448697,9.52
+N#Cc1cc(N2C[C@@H]3CCNC[C@@H]32)cnc1Br,CHEMBL220295,10.15
+Clc1ccc(C2CC3CCCC2N3)cn1,CHEMBL535389,9.64
+CN1CCC[C@@H]1[C@H]1COc2ccccc2O1,CHEMBL481374,5.59
+CN1CCC[C@H]1[C@@H]1COc2ccccc2O1,CHEMBL481368,6.21
+CN1CCC[C@@H]1[C@@H]1CNC(=O)O1,CHEMBL385227,4.1
+CN1CCC[C@H]1[C@H]1CNC(=O)O1,CHEMBL220553,4.335
+N[C@@H]1C2CCC1[C@@H](c1ccc(Cl)nc1)C2,CHEMBL434182,7.96
+N[C@H]1C2CCC1[C@@H](c1ccc(Cl)nc1)C2,CHEMBL3216202,8.09
+C[N+]1(C)CC2CC1CN2c1ccc(Cl)nc1,CHEMBL243132,9.695
+CCN1CC2CC1CN2c1ccc(Cl)nc1,CHEMBL245040,7.47
+CN1CC2CC1CN2c1ccc(Cl)nc1,CHEMBL389965,8.89
+c1cc(N2CC3CC2CN3)ccn1,CHEMBL245039,5.285
+c1ccc(N2CC3CC2CN3)nc1,CHEMBL244823,6.01
+Clc1ccc(N2CC3CC2CCN3)cn1,CHEMBL245259,8.555
+Clc1ccc(N2CCC3CC2CN3)cn1,CHEMBL398004,8.825
+c1cncc(N2CC3CNCC2C3)c1,CHEMBL243325,10.19
+c1cncc(N2CC3CNC(C3)C2)c1,CHEMBL243324,10.33
+c1cncc(N2CC3CCC2CN3)c1,CHEMBL389323,10.7
+COc1cc(N2CC3CC2CN3)cnc1Cl,CHEMBL430380,10.0
+Clc1cc(N2CC3CC2CN3)cnc1Cl,CHEMBL388699,10.74
+FC(F)(F)c1cncc(N2CC3CC2CN3)c1,CHEMBL243086,6.31
+Cc1cc(N2CC3CC2CN3)cnc1Cl,CHEMBL388684,10.86
+NCc1cncc(N2CC3CC2CN3)c1,CHEMBL243345,6.85
+Nc1ccc(N2CC3CC2CN3)cn1,CHEMBL245048,7.7
+O=[N+]([O-])c1ccc(N2CC3CC2CN3)cn1,CHEMBL394623,6.96
+COc1ccc(N2CC3CC2CN3)cn1,CHEMBL243560,9.6
+Cc1ccc(N2CC3CC2CN3)cn1,CHEMBL243344,8.8
+c1cnc2cc(N3CC4CC3CN4)sc2c1,CHEMBL390411,9.08
+c1cnc2c(N3CC4CC3CN4)csc2c1,CHEMBL390410,6.55
+c1ccc2nc(N3CC4CC3CN4)ccc2c1,CHEMBL243528,5.4
+c1ccc2ncc(N3CC4CC3CN4)cc2c1,CHEMBL390214,7.77
+c1csc(N2CC3CC2CN3)n1,CHEMBL242660,5.635
+Cc1nsc(N2CC3CC2CN3)n1,CHEMBL413792,6.455
+Cc1cc(N2CC3CC2CN3)sn1,CHEMBL394572,8.31
+Clc1ccc(N2CC3CC2CN3)cc1,CHEMBL244376,7.655
+Fc1cccc(N2CC3CC2CN3)c1,CHEMBL394571,6.6
+O=[N+]([O-])c1cccc(N2CC3CC2CN3)c1,CHEMBL244375,6.22
+O=[N+]([O-])c1ccc(N2CC3CC2CN3)cc1,CHEMBL397043,7.17
+c1ccc(N2CC3CC2CN3)cc1,CHEMBL397042,6.0
+Clc1cc(N2CC3CC2CN3)ncn1,CHEMBL242440,7.28
+c1ncc(N2CC3CC2CN3)cn1,CHEMBL395325,9.02
+Clc1nnc(N2CC3CC2CN3)c2ccccc12,CHEMBL242439,5.72
+Cc1cc(N2CC3CC2CN3)nnc1Cl,CHEMBL395324,8.42
+c1cnnc(N2CC3CC2CN3)c1,CHEMBL242438,6.915
+O=C(c1ccc(Cl)nc1)N1CC2CC1CN2,CHEMBL390255,6.23
+O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC2CC1CN2,CHEMBL243530,7.77
+c1cncc(CN2CC3CC2CN3)c1,CHEMBL390412,7.25
+CN1CCCC1c1ccc2ncccc2c1,CHEMBL243666,6.88
+C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1,CHEMBL389786,7.59
+C[N+]1(C)CCCC1c1ccc2ncccc2c1,CHEMBL388888,7.35
+CN1CCC[C@@H]1c1ccc2ncccc2c1,CHEMBL388267,5.695
+CN1CCC[C@H]1c1ccc2ncccc2c1,CHEMBL242777,6.98
+C[N+](C)(C)CCC#Cc1ccc2ncccc2c1,CHEMBL390227,5.17
+c1cnc2[nH]cc(C3CCCNC3)c2c1,CHEMBL404726,5.53
+Fc1ccc2cc(C[C@@H]3CCCN3)[nH]c2n1,CHEMBL272516,5.7
+Fc1ccc2cc(C[C@H]3CCCN3)[nH]c2n1,CHEMBL403450,6.5
+Brc1ccc2cc(C[C@H]3CCCN3)[nH]c2n1,CHEMBL270609,6.16
+Clc1ccc2cc(C[C@@H]3CCCN3)[nH]c2n1,CHEMBL271267,5.43
+Clc1ccc2cc(C[C@H]3CCCN3)[nH]c2n1,CHEMBL271040,6.83
+c1cnc2[nH]c(C[C@@H]3CCCN3)cc2c1,CHEMBL403645,5.56
+c1cnc2[nH]c(C[C@H]3CCCN3)cc2c1,CHEMBL258144,6.9
+Clc1ccc2cc(C3CCCNC3)[nH]c2n1,CHEMBL541144,5.46
+Clc1ccc2c(C3CCCNC3)c[nH]c2n1,CHEMBL271270,5.53
+CN1CCC[C@@H]1Cc1cc2cccnc2[nH]1,CHEMBL401889,5.6
+CN1CCC[C@H]1Cc1cc2cccnc2[nH]1,CHEMBL272918,6.16
+CN[C@@H](C)C/C=C/c1cncc(OC)c1,CHEMBL269954,7.96
+CNC1(COc2cccnc2)CC1,CHEMBL537914,8.52
+CN(C)C1(COc2cnc(Cl)c(Br)c2)CC1,CHEMBL556554,6.96
+CN(C)C1(COc2cncc(Br)c2)CC1,CHEMBL535195,6.56
+CN(C)C1(COc2ccc(Br)nc2)CC1,CHEMBL535417,6.4
+NC1(COc2ccc(Cl)nc2)CC1,CHEMBL556773,7.01
+CN(C)C1(COc2ccc(Cl)nc2)CC1,CHEMBL535416,6.52
+Cc1ccc(OCC2(N)CC2)cn1,CHEMBL541143,6.58
+Cc1ccc(OCC2(N(C)C)CC2)cn1,CHEMBL556771,5.96
+C=Cc1cncc(OCC2(NC)CC2)c1,CHEMBL537472,7.15
+C#Cc1cncc(OCC2(NC)CC2)c1,CHEMBL556370,8.18
+CNC1(COc2cnc(Cl)c(Br)c2)CC1,CHEMBL537694,8.27
+CNC1(COc2cncc(Br)c2)CC1,CHEMBL539615,8.97
+CNC1(COc2ccc(Br)nc2)CC1,CHEMBL552781,7.41
+CNC1(COc2ccc(Cl)nc2)CC1,CHEMBL558771,7.89
+CNC1(COc2ccc(C)nc2)CC1,CHEMBL541393,7.4
+c1cncc(OCC2(N3CCCC3)CC2)c1,CHEMBL257439,5.79
+CCNC1(COc2cccnc2)CC1,CHEMBL403101,6.0
+NC1(COc2cccnc2)CC1,CHEMBL538096,7.47
+CN(C)C1(COc2cccnc2)CC1,CHEMBL537912,7.02
+CNC1(/C=C\COc2cccnc2)CC1,CHEMBL535864,5.64
+CNC1(/C=C/COc2cccnc2)CC1,CHEMBL536314,5.96
+CNC1(CCc2cccnc2)CC1,CHEMBL537913,6.6
+COc1cccc(-c2cncc(C3CC4CCC3N4)c2)c1,CHEMBL3217100,9.37
+Nc1cccc(-c2cncc(C3CC4CCC3N4)c2)c1,CHEMBL537679,8.94
+Nc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1,CHEMBL539100,9.47
+O=[N+]([O-])c1cccc(-c2cncc(C3CC4CCC3N4)c2)c1,CHEMBL3216007,9.77
+O=[N+]([O-])c1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1,CHEMBL3216884,9.47
+Fc1cccc(-c2cncc(C3CC4CCC3N4)c2)c1,CHEMBL3215762,9.7
+Fc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1,CHEMBL261281,9.82
+Clc1cccc(-c2cncc(C3CC4CCC3N4)c2)c1,CHEMBL3216650,9.77
+Clc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1,CHEMBL406222,9.68
+c1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1,CHEMBL3215761,9.3
+O=c1cccc2n1CC13CNCC21C3,CHEMBL401532,6.84
+O=c1cccc2n1CC1CNCC21,CHEMBL404660,7.8
+C[N+]12CCC(CC1)C(c1ccc(N3CCOCC3)nc1)C2,CHEMBL577968,4.6
+c1cc(N2CCOCC2)ncc1C1CN2CCC1CC2,CHEMBL570620,4.68
+C[N+]12C=C(c3ccc(N4CCOCC4)nc3)C(CC1)CC2,CHEMBL579276,4.66
+C1=C(c2ccc(N3CCOCC3)nc2)C2CCN1CC2,CHEMBL577107,5.51
+C1=C(c2ccc(N3CCOCC3)nc2)C2CCC1N2,CHEMBL571077,4.92
+c1ccc(-c2ccc(N3C[C@@H]4CNC[C@@H]4C3)nn2)cc1,CHEMBL610752,5.28
+COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL603904,4.71
+CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599693,5.54
+Cc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL599081,5.79
+CN1[C@H](C[C@H](OC(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL606378,6.07
+CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597271,6.3
+CCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597270,6.82
+CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL596682,7.22
+CC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597067,7.15
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccc3ccccc23)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605420,7.77
+CC(C)S(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL599268,7.82
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605748,7.89
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597299,7.89
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597298,7.92
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597297,7.8
+CN1[C@H](C[C@H](OS(=O)(=O)Cc2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL604306,7.89
+CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL603692,7.96
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599267,8.0
+Cc1ccc(S(=O)(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL597085,8.3
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL596683,8.1
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,5.87
+Clc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1ccccc1,CHEMBL1075632,10.68
+Fc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1097691,10.77
+Fc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1097692,10.92
+Clc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1098030,10.41
+Clc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1098031,10.89
+Clc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1cccc(Br)c1,CHEMBL1098032,10.8
+O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1098033,10.82
+Nc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1096353,10.47
+Nc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1076992,10.77
+COc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1085916,10.66
+COc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1085917,10.72
+Clc1ccc(N2C[C@@H]3C[C@H]2CN3)nn1,CHEMBL1083027,8.22
+Clc1ccc(N2C[C@H]3C[C@@H]2CN3)nn1,CHEMBL1083028,9.7
+CN1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1,CHEMBL1083029,6.86
+CN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1,CHEMBL1083278,7.59
+C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1,CHEMBL1083279,8.37
+c1ccc(-c2ccc(N3C[C@@H]4C[C@H]3CN4)nn2)cc1,CHEMBL1083280,4.51
+C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1083281,6.15
+CN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1082615,4.57
+C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1082972,5.26
+O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL365956,9.94
+CC(=O)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164787,5.35
+C(=C1\CCCN=C1c1cccnc1)\c1cc2ccccc2o1,CHEMBL1165121,5.23
+COc1cc(/C=C2\CCCN=C2c2cccnc2)cc(OC)c1OC,CHEMBL1164570,5.33
+CCCCOc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165460,5.71
+FC(F)(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165211,5.75
+COc1cc(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165557,5.9
+N#Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165180,5.91
+Clc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165185,6.01
+CC(=O)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165210,6.15
+CC(C)(C)C(=O)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164133,6.08
+FC(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165786,5.94
+C(=C1\CCCN=C1c1cccnc1)\c1ccccc1,CHEMBL1164667,6.07
+CC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164115,5.66
+Cc1cc(C)c(/C=C2\CCCN=C2c2cccnc2)c(C)c1,CHEMBL1164471,6.28
+C(=C1\CCCN=C1c1cccnc1)\c1ccc(-n2ccnn2)cc1,CHEMBL1165277,6.28
+CCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1163934,6.37
+CCCc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164685,6.05
+Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163379,6.0
+COc1ccc2cc(/C=C3\CCCN=C3c3cccnc3)ccc2c1,CHEMBL1165628,6.22
+Oc1cccc(/C=C2\CCCN=C2c2cccnc2)c1,CHEMBL1165521,5.93
+COc1cccc(/C=C2\CCCN=C2c2cccnc2)c1,CHEMBL1164724,5.93
+C(=C1\CCCN=C1c1cccnc1)\c1ccc(N2CCOCC2)cc1,CHEMBL1165354,6.55
+FC(F)(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163380,6.03
+C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCO2,CHEMBL1163448,6.15
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)=O)c1,CHEMBL1165485,6.11
+CC(C)(C)C(=O)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165301,5.84
+Cc1cc(O)cc(C)c1/C=C1\CCCN=C1c1cccnc1,CHEMBL1163432,6.17
+CCN(CC)c1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1165544,6.89
+Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164116,6.35
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1163793,6.41
+COc1cc(OC)c(/C=C2\CCCN=C2c2cccnc2)c(OC)c1,CHEMBL1164569,7.22
+CSc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165179,6.05
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164117,6.31
+CNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165581,7.3
+Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163383,6.92
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)C)c1,CHEMBL1164492,6.77
+Oc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1165604,6.68
+CC(=O)Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164132,6.42
+C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCCO2,CHEMBL1165617,6.28
+Cc1cc(/C=C2\CCCN=C2c2cccnc2)cc(C)c1O,CHEMBL1164015,6.44
+FC(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1164221,5.85
+OCCN(CCO)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165338,6.8
+CC(=O)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164686,6.6
+CN(C)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165368,6.77
+BrC1=NOC2CC3CNCC(C3)C12,CHEMBL1163244,6.04
+CC(=O)C1=CC[C@H]2CC[C@@H]1N2,CHEMBL1164304,7.03
+c1ccc(Nc2cncc(OC[C@@H]3CCCN3)c2)cc1,CHEMBL1258799,8.885
+c1ncc(N2CCNCC2)cc1OC[C@@H]1CCCN1,CHEMBL1258574,7.195
+O=c1c(F)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL1269416,8.19
+O=c1c(C(F)(F)F)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL1269417,9.66
+Cc1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1,CHEMBL1269418,9.62
+O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Br)C1,CHEMBL599685,9.68
+O=c1cccc2n1C[C@@H]1C[C@@H]2CN(I)C1,CHEMBL1269456,9.78
+CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL97979,5.0
+CC1CN(Cc2ccccc2)CCC1N1C(=O)Cc2ccccc21,CHEMBL1277886,5.0
+CCC(C)(C)C1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)CC1,CHEMBL1277967,5.0
+CN1C2CCC1CC(N1C(=O)Cc3ccccc31)C2,CHEMBL1276199,4.0
+CN1C2CCCC1CC(N1C(=O)Cc3ccccc31)C2,CHEMBL1276200,4.0
+O=C1Cc2ccccc2N1C1CC2CCCC(C1)N2,CHEMBL1276232,4.0
+CCOC(=O)N1C2C=C(c3cccnc3)CC1CCC2,CHEMBL1276233,5.0
+CN1C2C=C(c3cccnc3)CC1CCC2,CHEMBL1276234,7.98
+CN1C2C=C(c3cnc4ccccc4c3)CC1CCC2,CHEMBL1276256,6.37
+C1=C(c2cccnc2)CC2CCC1CN2Cc1ccccc1,CHEMBL1277968,8.71
+C1=C(c2cnc3ccccc3c2)CC2CC1N(Cc1ccccc1)C2,CHEMBL1278053,7.53
+O=C1Cc2ccccc2N1C1CC2CC(C1)N(Cc1ccccc1)C2,CHEMBL1278054,5.0
+CN1CC2CC1CC(N1C(=O)Cc3ccccc31)C2,CHEMBL1276257,5.0
+CC1=NO[C@@H]([C@@H]2CCCN2)C1,CHEMBL1630287,4.74
+CC1=NO[C@H]([C@@H]2CCCN2)C1,CHEMBL1630288,5.29
+CC1=NO[C@@H]([C@@H]2CCCN2C)C1,CHEMBL1630289,4.92
+BrC1=NO[C@@H]([C@@H]2CCCN2)C1,CHEMBL1630290,5.38
+CN1CCC[C@H]1[C@H]1CC(Br)=NO1,CHEMBL1630291,5.42
+COC1=NO[C@@H]([C@@H]2CCCN2)C1,CHEMBL1630292,4.55
+COC1=NO[C@H]([C@@H]2CCCN2)C1,CHEMBL1630293,4.3
+COC1=NO[C@@H]([C@@H]2CCCN2C)C1,CHEMBL1630294,4.99
+OCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1,CHEMBL1835609,9.17
+OCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1,CHEMBL1835610,9.51
+C[N+]12CCC(CC1)C1(CC(Br)=NO1)C2,CHEMBL1917549,4.49
+C[N+]12CCC(C1)C1(CC(Br)=NO1)C2,CHEMBL1917554,4.66
+COC1=NOC2(C1)C[N+]1(C)CCC2C1,CHEMBL1917555,4.7
+C[N+]12CCC(C1)C1(CC(c3ccccc3)=NO1)C2,CHEMBL1917556,4.42
+C[N+]1(C)CCCC2(CC(Br)=NO2)C1,CHEMBL1917560,4.3
+COC1=NOC2(CCC[N+](C)(C)C2)C1,CHEMBL1917561,4.03
+CN1CCC[C@H]1[C@@H]1COc2ccc(CO)cc2O1,CHEMBL1917223,4.29
+Cc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917222,5.24
+Cc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917221,4.38
+CN1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1,CHEMBL1917224,5.02
+CC(=O)c1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917225,4.01
+CC(=O)c1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917226,4.93
+CN1CCC[C@H]1[C@@H]1COc2ccc(Br)cc2O1,CHEMBL1917227,5.09
+CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1,CHEMBL1917228,5.52
+CN1CCC[C@H]1[C@@H]1COc2ccc(-c3ccccc3)cc2O1,CHEMBL1917229,4.46
+CN1CCC[C@H]1[C@H]1COc2ccc(-c3ccccc3)cc2O1,CHEMBL1917230,5.51
+CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1,CHEMBL1917231,7.92
+CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1,CHEMBL1917232,6.38
+CN1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1,CHEMBL1917233,5.46
+CN1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1,CHEMBL1917234,5.52
+Oc1ccc2c(c1)O[C@H]([C@@H]1CCCN1)CO2,CHEMBL1917235,5.05
+Oc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1)CO2,CHEMBL1914487,5.92
+Oc1ccc2c(c1)O[C@@H]([C@H]1CCCN1)CO2,CHEMBL1917236,4.74
+Oc1ccc2c(c1)O[C@H]([C@H]1CCCN1)CO2,CHEMBL1917237,5.89
+COc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917238,4.77
+COc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917239,5.38
+CC(C)Oc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917240,5.03
+CC(C)Oc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917241,5.49
+O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939314,10.405
+COc1cc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)cc(OC)c1,CHEMBL1939313,9.525
+Cc1cc(C)cc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)c1,CHEMBL1939312,9.495
+Cc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)c1,CHEMBL1939311,10.01
+O=C(Nc1ccc(Cl)cc1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939310,9.7
+CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)c1,CHEMBL1939309,8.96
+O=C(Nc1cccc(I)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939308,10.655
+O=C(NCCc1ccccc1F)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939307,9.105
+O=C(NC1CCc2ccccc21)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939306,7.775
+O=C(c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1)N1CCc2ccccc2C1,CHEMBL1939305,9.53
+O=C(NCc1ccccc1C(F)(F)F)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939304,9.05
+CN(Cc1ccccc1)C(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939303,8.41
+C[C@@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1)c1ccccc1,CHEMBL1939302,8.655
+C[C@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1)c1ccccc1,CHEMBL1939301,7.41
+O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939300,7.86
+Cc1cc(C)cc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1,CHEMBL1939299,7.29
+CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1,CHEMBL1939298,7.59
+CC(C)c1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1,CHEMBL1939297,7.455
+O=C(Nc1cccc(I)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939296,8.48
+O=C(Nc1cccc(Cl)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939295,9.145
+O=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939294,8.6
+CC(NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1)c1ccccc1,CHEMBL1939293,6.88
+CN(Cc1ccccc1)C(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939292,6.76
+O=C(NCCc1ccccc1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939291,7.16
+O=C(NCc1ccccc1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939290,8.41
+Cc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CNC[C@H]32)c1,CHEMBL1939289,6.06
+Cc1ccccc1CNC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL1939288,8.57
+Cc1cccc(NC(=O)c2cncc(N3C[C@@H]4CCN[C@@H]4C3)n2)c1,CHEMBL1939287,5.58
+Cc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1,CHEMBL1939286,8.12
+Cc1ccccc1CNC(=O)c1cncc(N2CC[C@@H]3CNC[C@@H]32)n1,CHEMBL1939285,5.25
+Cc1ccccc1CNC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL1939283,8.765
+c1cnc(N2C[C@@H]3CNC[C@@H]3C2)cn1,CHEMBL1939282,8.11
+c1cncc(N2C[C@@H]3CCN[C@@H]3C2)c1,CHEMBL1939281,8.54
+c1cncc(N2C[C@H]3CCN[C@H]3C2)c1,CHEMBL1939280,9.47
+Cc1cc(C2CC3CCC2N3)on1,CHEMBL1939773,9.62
+Clc1ccc(C2=CC3CCC2N3)cn1,CHEMBL1939774,9.7
+Fc1ccc(C2=CC3CCC2N3)cn1,CHEMBL1939775,9.4
+C1=C(c2cccnc2)C2CCC1N2,CHEMBL1939776,9.3
+C1=C(c2ccccn2)C2CCC1N2,CHEMBL1939777,4.04
+Cc1cc(C2=CC3CCC2[N+]3(C)C)on1,CHEMBL1939781,7.88
+CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2024089,8.995
+COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2024094,9.76
+c1cncc(N2CCC3(CCCN3)C2)c1,CHEMBL504652,7.12
+c1cncc(N2CCC3(CC4CCN3C4)C2)c1,CHEMBL2057712,7.4
+c1cncc(N2CCC3(CC4CCN3CC4)C2)c1,CHEMBL2057713,8.24
+c1cncc(N2CCC3(C2)C2CCN3CC2)c1,CHEMBL2057714,7.47
+Cc1cc(OC[C@@H]2CCCN2)on1,CHEMBL2165445,6.89
+Cc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165444,8.34
+FCc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165443,8.14
+O=C(NC1CCCC1)OCc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165442,7.88
+CCNC(=O)OCc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165441,7.51
+O=C(Nc1ccccc1)OCc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165440,7.71
+Fc1ccc(NCc2cc(OC[C@@H]3CCN3)on2)cc1,CHEMBL2165439,7.31
+c1ccc(NCc2cc(OC[C@@H]3CCN3)on2)cc1,CHEMBL2165438,7.12
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)on2)cc1,CHEMBL2165453,6.8
+c1ccc(OCc2cc(OC[C@@H]3CCN3)on2)cc1,CHEMBL2165452,7.62
+OCc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165451,6.86
+Cc1cc(OC[C@@H]2CCN2)no1,CHEMBL2165450,5.71
+OCc1cc(OC[C@@H]2CCN2)no1,CHEMBL2165446,6.75
+COc1ccc(C(=O)N2CC3CNCC(C3)C2)cc1,CHEMBL2179523,6.42
+O=C(c1ccccc1)N1CC2CNCC(C2)C1,CHEMBL2179522,5.77
+O=C(c1ccc(Oc2ccccc2)cc1)N1CC2CNCC2C1,CHEMBL2179521,7.41
+COc1ccc(C(=O)N2CC3CNCC3C2)cc1,CHEMBL2179520,6.85
+O=C(c1ccccc1)N1CC2CNCC2C1,CHEMBL2179519,8.96
+O=C(c1ccccn1)N1CC2CNCC2C1,CHEMBL2179518,6.47
+O=C(c1cccnc1)N1CC2CNCC2C1,CHEMBL2179517,6.8
+Cc1ncoc1C(=O)N1CC2CNCC2C1,CHEMBL2179516,7.22
+O=C(c1cnco1)N1CC2CNCC2C1,CHEMBL2179957,6.89
+O=C(c1ccno1)N1CC2CNCC2C1,CHEMBL2179956,7.33
+O=C(c1ncco1)N1CC2CNCC2C1,CHEMBL2179560,6.33
+O=C(c1ccoc1)N1CC2CNCC2C1,CHEMBL2179559,7.28
+O=C(c1ccc(Br)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179558,7.24
+O=C(c1ccc(F)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179557,7.77
+O=C(c1ccc(Br)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179556,7.07
+O=C(c1ccc(Cl)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179555,6.92
+O=C(c1ccc(F)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179554,6.92
+Cc1ccoc1C(=O)N1CC2CNCC(C2)C1,CHEMBL2179553,6.19
+Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1,CHEMBL2179552,6.62
+N#Cc1ccoc1C(=O)N1CC2CNCC(C2)C1,CHEMBL2179551,6.55
+N#Cc1coc(C(=O)N2CC3CNCC(C3)C2)c1,CHEMBL2179550,7.57
+N#Cc1ccc(C(=O)N2CC3CNCC(C3)C2)o1,CHEMBL2179549,7.11
+O=C(c1occc1Br)N1CC2CNCC(C2)C1,CHEMBL2179548,6.89
+O=C(c1cc(Br)co1)N1CC2CNCC(C2)C1,CHEMBL2179547,7.24
+O=C(c1ccc(Br)o1)N1CC2CNCC(C2)C1,CHEMBL2179546,7.0
+O=C(c1occc1Cl)N1CC2CNCC(C2)C1,CHEMBL2179545,6.92
+O=C(c1cc(Cl)co1)N1CC2CNCC(C2)C1,CHEMBL2179544,7.4
+O=C(c1ccc(Cl)o1)N1CC2CNCC(C2)C1,CHEMBL2179543,8.15
+O=C(c1occc1F)N1CC2CNCC(C2)C1,CHEMBL2179542,6.68
+O=C(c1cc(F)co1)N1CC2CNCC(C2)C1,CHEMBL2179541,7.55
+O=C(c1ccc(F)o1)N1CC2CNCC(C2)C1,CHEMBL2179540,7.82
+Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179539,7.66
+Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179538,6.64
+N#Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179537,7.17
+N#Cc1coc(C(=O)N2CC3CNCC3C2)c1,CHEMBL2179536,6.92
+N#Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179535,7.3
+O=C(c1occc1Br)N1CC2CNCC2C1,CHEMBL2179534,8.1
+O=C(c1cc(Br)co1)N1CC2CNCC2C1,CHEMBL2179533,7.04
+O=C(c1ccc(Br)o1)N1CC2CNCC2C1,CHEMBL2179532,6.62
+O=C(c1occc1Cl)N1CC2CNCC2C1,CHEMBL2179531,7.92
+O=C(c1cc(Cl)co1)N1CC2CNCC2C1,CHEMBL2179530,7.19
+O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,CHEMBL2179529,7.47
+O=C(c1occc1F)N1CC2CNCC2C1,CHEMBL2179528,7.27
+O=C(c1cc(F)co1)N1CC2CNCC2C1,CHEMBL2179527,7.44
+O=C(c1ccc(F)o1)N1CC2CNCC2C1,CHEMBL2179526,7.29
+O=C(c1ccncc1)N1CC2CNC(C2)C1,CHEMBL2179525,7.6
+O=C(c1ccncc1)N1CC2CNCC(C2)C1,CHEMBL2179524,7.24
+O=C(c1ccncc1)N1CC2CNCC2C1,CHEMBL2179971,7.7
+O=C(c1ccco1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179970,7.96
+O=C(c1ccco1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179969,7.01
+O=C(c1ccco1)N1CC2CNC(C2)C1,CHEMBL2179968,7.72
+O=C(c1ccco1)N1CC2CNCC(C2)C1,CHEMBL2179967,7.54
+O=C(c1ccco1)N1CC2CNCC2C1,CHEMBL2179966,7.28
+O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179965,7.66
+O=C(C1CC1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179964,8.0
+O=C(C1CC1)N1CC2CNC(C2)C1,CHEMBL2179963,9.0
+O=C(C1CC1)N1CC2CNCC(C2)C1,CHEMBL2179962,8.7
+O=C(C1CC1)N1CC2CNCC2C1,CHEMBL2179961,8.15
+CCOc1cncc(/C=C/CCNC)c1,CHEMBL1876219,8.22
+CC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2177346,9.4
+FCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2177345,9.7
+FC(F)C[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2177344,10.0
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL1258006,5.68
+c1ncc(-c2cc(CCN3CCOCC3)no2)cc1OC[C@@H]1CCN1,CHEMBL2178334,7.817
+OCCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1,CHEMBL2178329,8.16
+Fc1ncccc1OC[C@@H]1C=CCN1,CHEMBL2207676,9.3
+Ic1cncc(OC[C@@H]2C=CCN2)c1,CHEMBL2207673,9.57
+CN(C)CCOc1cccnc1,CHEMBL61616,7.555
+C[C@H](CCOc1cccnc1)N(C)C,CHEMBL2312561,7.52
+C[C@H](CCOn1cccn1)N(C)C,CHEMBL2312562,7.74
+Cc1cn(C)c(OCC[C@@H](C)N(C)C)n1,CHEMBL2312564,6.55
+C[C@H](CCOc1nc(Br)cn1C)N(C)C,CHEMBL2312563,6.92
+C[C@H](CCOc1nccn1C)N(C)C,CHEMBL2312565,7.87
+C[C@H](CCOc1cnccn1)N(C)C,CHEMBL2312567,6.62
+C[C@H](CCOc1nccs1)N(C)C,CHEMBL2312566,7.89
+C[C@H](CCOC(=O)N(C)C)N(C)C,CHEMBL2312568,7.7
+Cc1ncc(C#CCCCCO)cc1OC[C@@H]1CCN1,CHEMBL2323570,8.37
+CCCCC#Cc1cnc(C)c(OC[C@H]2CCCN2)c1,CHEMBL2323567,5.0
+CCCCC#Cc1cnc(C)c(OC[C@H]2CCN2)c1,CHEMBL2323565,6.13
+CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1,CHEMBL2323568,7.14
+CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1,CHEMBL2323566,7.92
+Cc1ncc(C#CC2CC2)cc1OC[C@@H]1CCN1,CHEMBL2323569,8.02
+Cc1ncc(C#CCCCCCl)cc1OC[C@@H]1CCN1,CHEMBL2323572,8.28
+Cc1ncc(C#CCCCCF)cc1OC[C@@H]1CCN1,CHEMBL2323571,8.29
+CCC(C)C(=O)N[C@H]1CCN2CCC[C@H]12,CHEMBL2332146,6.54
+CC(C)C(=O)N[C@@H]1CCN2CCCC[C@@H]12,CHEMBL2332153,4.0
+CC(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12,CHEMBL2332150,5.17
+CCC(=O)N[C@H]1CCCN2CCCC[C@H]12,CHEMBL2332149,5.21
+CC(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12,CHEMBL2332151,5.22
+CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12,CHEMBL2332148,5.35
+COCC[C@H]1C[C@@H]1c1cncc(OCCNC(C)C)c1,CHEMBL2409624,5.66
+c1ncc([C@@H]2C[C@H]2CCN2CCOCC2)cc1OC[C@@H]1CCN1,CHEMBL2409623,7.145
+COCC[C@H]1C[C@@H]1c1cncc(O[C@@H]2CCNC2)c1,CHEMBL2409632,7.215
+c1ncc([C@H]2C[C@@H]2CCN2CCCCC2)cc1OC[C@@H]1CCN1,CHEMBL2409618,7.98
+c1ncc([C@H]2C[C@@H]2CCN2CCOCC2)cc1OC[C@@H]1CCN1,CHEMBL2409619,8.16
+c1ncc([C@H]2C[C@@H]2CCN2CCNCC2)cc1OC[C@@H]1CCN1,CHEMBL2409620,8.725
+CC(C)OC(=O)NCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2409622,9.075
+COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2)c1,CHEMBL2409625,9.18
+CCOC(=O)NCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1,CHEMBL2409621,9.2
+COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1,CHEMBL2409627,9.41
+CN1CCC[C@H]1[C@H]1COC(=O)N1,CHEMBL2441761,4.85
+CN1CCC[C@H]1[C@@H]1COC(=O)N1,CHEMBL2441760,5.05
+CN1CCC[C@H]1[C@@H]1CNC(=O)O1,CHEMBL500313,5.57
+C[N+]1(C)CCC[C@H]1COC(N)=O,CHEMBL2441759,5.97
+CN1CCC[C@H]1COC(N)=O,CHEMBL2441758,6.16
+C[N+](C)(C)C[C@H]1CNC(=O)O1,CHEMBL2441757,6.4
+C[N+](C)(C)C[C@@H]1CNC(=O)O1,CHEMBL2441756,6.37
+CN(C)C[C@H]1CNC(=O)O1,CHEMBL2441755,6.35
+CN(C)C[C@@H]1CNC(=O)O1,CHEMBL2441754,6.34
+CN1C[C@H](C[N+](C)(C)C)OC1=O,CHEMBL2441753,5.51
+CN1C[C@@H](C[N+](C)(C)C)OC1=O,CHEMBL2441752,5.44
+CN(C)C[C@@H]1CN(C)C(=O)O1,CHEMBL2441751,5.58
+CN(C)C[C@H]1CN(C)C(=O)O1,CHEMBL2441750,5.66
+Nc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1,CHEMBL2441604,7.47
+Oc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1,CHEMBL2441603,7.14
+COc1ccc(CC2C(c3cccnc3)=N[C@@H]3CC[C@H]2C3)c(OC)c1,CHEMBL2441602,6.46
+COc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)c(OC)c1,CHEMBL2441601,6.66
+O=C(c1ccc(-n2ccnc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093666,8.25
+O=C(c1ccc(-c2ccncc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093665,8.15
+O=C(c1ccc(-c2cccnc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093664,7.6
+O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093663,7.4
+O=C(C#Cc1cccc2ccccc12)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093709,7.34
+O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093708,8.51
+O=C(C#Cc1cccc(F)c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093707,8.15
+Cc1ccc(C#CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3093706,7.96
+COc1ccc(C#CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1Cl,CHEMBL3093705,9.0
+COc1ccc(C#CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1OC,CHEMBL3093704,8.68
+COc1ccc(C#CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3093703,8.11
+COc1cccc(C#CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)c1,CHEMBL3093702,8.2
+COc1ccccc1C#CC(=O)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093701,6.62
+O=C(C#Cc1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093700,7.96
+O=C(/C=C/c1cccc2ccccc12)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093699,6.53
+O=C(/C=C/c1ccc2c(c1)OCO2)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093698,7.43
+O=C(/C=C/c1ccncc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093697,8.99
+O=C(/C=C/c1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093696,7.49
+O=C(/C=C/c1ccsc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093695,7.24
+O=C(/C=C/c1cccs1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093694,7.01
+O=C(/C=C/c1ccco1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093693,6.54
+COc1ccc(/C=C/C(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3093692,7.4
+O=C(/C=C/c1ccc(F)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093691,7.68
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093690,7.41
+O=C(/C=C/c1cccc(Br)c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093689,7.61
+O=C(/C=C/c1cccc(Cl)c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093688,7.63
+COc1ccccc1/C=C/C(=O)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093687,6.76
+O=C(/C=C/c1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093686,7.26
+O=C([C@@H]1C[C@H]1c1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093685,8.92
+O=C(COc1ccccc1Cl)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093684,6.26
+COc1cc(CCC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc(OC)c1OC,CHEMBL3093683,6.63
+O=C(CCc1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093682,7.41
+O=C(CCc1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093681,7.28
+O=C(Cc1ccc2ccccc2c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093680,7.99
+O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093679,7.88
+O=C(Cc1ccncc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093678,7.84
+O=C(Cc1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093677,7.95
+Cc1cc(CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)on1,CHEMBL3093676,7.33
+CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3093675,7.64
+O=C(Cc1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093673,7.24
+O=C(c1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3093672,6.34
+O=c1c(-c2ccc3c(c2)OCO3)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL3093671,6.96
+O=c1c(-c2ccncc2)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL3093670,8.41
+O=c1c(-c2cccnc2)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL3093669,9.04
+O=c1c(-c2ccccc2)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL3093668,6.89
+CC(=O)N1C[C@H]2C[C@H](CN(C)C2)C1,CHEMBL3094059,6.7
+O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3094053,6.87
+N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3094051,6.19
+Cc1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3094050,6.07
+N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H](C3)C2)c1,CHEMBL3094049,6.01
+O=C(c1ccc2c[nH]nc2c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3094102,6.69
+O=C(c1ccc2[nH]ccc2c1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3094101,5.74
+N#Cc1ccc(C(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1,CHEMBL3094089,7.68
+O=C(c1ccc(O)cc1)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3094088,6.98
+CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@H](C2)C1,CHEMBL3094066,7.35
+C1NCC2CNCC1C2,CHEMBL3094064,6.22
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1,CHEMBL3110043,6.93
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1,CHEMBL3110050,6.59
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C[C@@H]2CC2CCCCC2)CC1,CHEMBL3110049,6.21
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1,CHEMBL3110048,6.47
+CC(C)(C)C1CCC(CN2CCN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1,CHEMBL3110047,5.65
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1,CHEMBL3110046,6.51
+CC(C)(C)C1CCC(CN2CCN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1,CHEMBL3110045,6.36
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C[C@@H]2Cc2ccccc2)CC1,CHEMBL3110044,6.49
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C[C@H]2CC2CCCCC2)CC1,CHEMBL3110032,5.43
+CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C[C@H]2Cc2ccccc2)CC1,CHEMBL3110031,5.8
+CC(C)CCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=N,CHEMBL3110042,5.48
+CC(C)CCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=N,CHEMBL3110041,5.59
+CCCCCCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=N,CHEMBL3110040,5.55
+CCCCCCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=N,CHEMBL3110039,5.6
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2cccc(F)c2)C[C@@H](CC2CCCCC2)N1CCc1cccc(Br)c1,CHEMBL3110038,5.46
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2cccc(F)c2)C[C@@H](Cc2ccccc2)N1CCc1cccc(Br)c1,CHEMBL3110037,5.74
+CC(C)CCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CC2CCC(C(C)(C)C)CC2)C1=N,CHEMBL3110036,5.46
+CC(C)CCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N,CHEMBL3110035,5.64
+CCCCCCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CC2CCC(C(C)(C)C)CC2)C1=N,CHEMBL3110034,5.41
+CCCCCCCN1C(N)=NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N,CHEMBL3110033,5.57
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2ccc(Cl)c(Cl)c2)C[C@H](Cc2ccc3ccccc3c2)N1CCc1ccc(Br)cc1,CHEMBL3110029,5.51
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2ccc(Cl)c(Cl)c2)C[C@H](Cc2ccc3ccccc3c2)N1CCc1cccc(Br)c1,CHEMBL3110028,4.36
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2ccc(Cl)c(Cl)c2)C[C@@H](Cc2ccc3ccccc3c2)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL3110027,4.32
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2ccc(Cl)c(Cl)c2)C[C@@H](Cc2ccc3ccccc3c2)N1CCc1ccc(Br)cc1,CHEMBL3110026,5.6
+N=C1N(CCCC[C@H]2CN=C(N)N2CCc2ccc(Cl)c(Cl)c2)C[C@@H](Cc2ccc3ccccc3c2)N1CCc1cccc(Br)c1,CHEMBL3110025,5.72
+COc1cc2c(cc1OC)[C@]13CCCC[C@H]1CCN3CC2,CHEMBL3235504,4.0
+c1c2c(cc3c1OCO3)[C@]13CCCC[C@H]1CCN3CC2,CHEMBL3235505,5.14
+COc1cc2c(cc1O)CCN1CC[C@@H]3CCCC[C@@]231,CHEMBL3235506,5.07
+COc1cc2c(cc1O)[C@]13CCCC[C@H]1CCN3CC2,CHEMBL3235507,4.74
+Oc1cc2c(cc1O)[C@]13CCCC[C@H]1CCN3CC2,CHEMBL3235508,5.82
+COc1cc2c(cc1OC)C1CCCN1CC2,CHEMBL3235509,5.26
+c1c2c(cc3c1OCO3)C1CCCN1CC2,CHEMBL3235510,6.26
+COc1cc2c(cc1O)CCN1CCCC21,CHEMBL3235511,4.0
+COc1cc2c(cc1O)C1CCCN1CC2,CHEMBL3235512,5.47
+Oc1cc2c(cc1O)C1CCCN1CC2,CHEMBL3235513,4.96
+COc1cc2c(cc1OC)CN(C)CC2,CHEMBL1196025,6.06
+CN1CCc2cc3c(cc2C1)OCO3,CHEMBL2140445,5.77
+COc1cc2c(cc1O)CCN(C)C2,CHEMBL3235514,5.0
+COc1cc2c(cc1O)CN(C)CC2,CHEMBL593001,5.77
+CN1CCc2cc(O)c(O)cc2C1,CHEMBL544714,5.17
+CCCCC1c2cc(OC)c(OC)cc2CCN1C,CHEMBL2385327,4.52
+COc1cc2c(cc1OC)C(c1ccccc1)N(C)CC2,CHEMBL3235517,4.0
+CN[C@H](C)Cc1ccc2c(c1)OCO2,CHEMBL382757,6.2
+CNC(C)Cc1ccc2c(c1)OCO2,CHEMBL43048,5.84
+CN[C@@H](C)Cc1ccc2c(c1)OCO2,CHEMBL195390,5.09
+CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3289071,10.0
+CCCCC#Cc1cncc(OC[C@H]2CCN2)c1,CHEMBL3289072,9.3
+CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1,CHEMBL3289073,8.92
+CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1,CHEMBL3289074,9.31
+OCCCCc1cn(-c2cncc(OC[C@@H]3CCN3)c2)nn1,CHEMBL3289075,8.89
+N#[N+][N-]CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3289076,10.07
+c1ncc(-c2nnn3c2CCCC3)cc1OC[C@@H]1CCN1,CHEMBL3289077,8.0
+COCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3356148,8.39
+COCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CN(C)C[C@@H]3C2)c1,CHEMBL3356149,7.24
+OCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3356150,8.51
+FCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3356151,8.8
+CCOCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3356152,9.4
+CO[C@H]1C=CC2=CCN3CCC4=C(CC(=O)OC4)[C@]23C1,CHEMBL3318888,5.96
+CO[C@H]1CC[C@H]2CCN3CCC4=C(CC(=O)OC4)[C@]23C1,CHEMBL3318887,5.13
+CN1CC[C@@H]2CC[C@H](OCc3ccccc3)C[C@@H]21,CHEMBL3318894,4.0
+CO[C@H]1CC=C2CCN(C)[C@H]2C1,CHEMBL3318890,5.47
+CO[C@H]1C=CC2=CCN(C)[C@H]2C1,CHEMBL3318891,4.52
+FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1,CHEMBL3341966,7.68
+FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@@H]2C1,CHEMBL3341965,8.92
+CN1CCN(c2ccc(-c3ccccc3)nn2)CC1,CHEMBL1194009,6.38
+c1cc2c(cn1)CCN1CCCC21,CHEMBL3578317,4.89
+c1cc2c(cn1)[C@@H]1CCCN1CC2,CHEMBL3578316,5.47
+c1cc2c(cn1)C1CCCN1CC2,CHEMBL3578314,7.15
+CN(C)CCOc1cncc(-c2cncc(OCCN(C)C)c2)c1,CHEMBL3593677,6.54
+CN(C)CCOc1cncc(N2CC3CNCC(C3)C2)c1,CHEMBL3593678,9.73
+CN(C)CCOc1cc(F)cc(N2CC3CNCC(C3)C2)c1,CHEMBL3593679,6.73
+CN(C)CCOc1cc(N2CC3CNCC(C3)C2)cc(F)c1F,CHEMBL3593842,7.19
+CN(C)CCOc1cncc(N2CCCNCC2)c1,CHEMBL3593843,8.16
+CN(C)CCOc1cncc(N2CCCN(C)CC2)c1,CHEMBL3593846,6.67
+CN(C)CCOc1cncc(N2CCNCC2)c1,CHEMBL3593849,6.84
+CN(C)CCOc1cncc(N2CCN(C)CC2)c1,CHEMBL3593852,7.18
+CN(C)CCOc1cncc(N2CCC2)c1,CHEMBL3593855,6.11
+CN(C)CCOc1cncc(N2CCC(O)CC2)c1,CHEMBL3593859,6.21
+CN1CCCC1c1cncc(C2CCCN2C)c1,CHEMBL3593860,5.93
+c1cncc(N2CC3CNCC(C3)C2)c1,CHEMBL2177512,10.7
+C[C@@H](Oc1cccnc1)[C@@H]1CCCN1C,CHEMBL3603947,7.57
+C[C@@H](Oc1ccccc1)[C@@H]1CCCN1C,CHEMBL3603937,5.81
+CC(Oc1ccccc1)C1CCCN1C,CHEMBL3603938,5.34
+COc1ncccc1OC[C@@H]1CCCN1C,CHEMBL3603943,5.14
+COc1ncccc1OC[C@@H]1CCCN1,CHEMBL3603944,5.05
+COc1ccncc1OC[C@@H]1CCCN1C,CHEMBL3603945,6.59
+COc1ccncc1OC[C@@H]1CCCN1,CHEMBL3603946,6.21
+CN1CCC[C@H]1COc1cccc(O)c1,CHEMBL3603929,8.96
+Oc1cccc(OC[C@@H]2CCCN2)c1,CHEMBL3603930,6.39
+CN1CC[C@H]1COc1cccc(O)c1,CHEMBL3603931,8.07
+Oc1cccc(OC[C@@H]2CCN2)c1,CHEMBL3603932,8.15
+CN1CCC[C@H]1COc1cncc(O)c1,CHEMBL3603933,8.43
+Oc1cncc(OC[C@@H]2CCCN2)c1,CHEMBL3603934,8.6
+COc1ccccc1OC[C@@H]1CCCN1C,CHEMBL3603935,5.03
+C[C@@H](Oc1cccc(O)c1)[C@@H]1CCCN1C,CHEMBL3603941,7.95
+COc1ccccc1OC[C@@H]1CCCN1,CHEMBL3603936,4.27
+COc1ccc(O)cc1OC[C@@H]1CCCN1C,CHEMBL3603939,7.72
+COc1ccc(O)cc1OC[C@@H]1CCCN1,CHEMBL3603940,5.97
+C[C@H](Oc1cccc(O)c1)[C@@H]1CCCN1C,CHEMBL3603942,6.72
+C[C@H](Oc1cccnc1)[C@@H]1CCCN1C,CHEMBL3603948,6.06
+CN1CC[C@H]1COc1ccccc1,CHEMBL75446,7.0
+c1ccc(OC[C@@H]2CCN2)cc1,CHEMBL72031,7.28
+COc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1,CHEMBL3608518,9.57
+Nc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1,CHEMBL3608517,9.05
+Clc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1,CHEMBL3608516,9.92
+Fc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1,CHEMBL243971,9.89
+c1cncc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)c1,CHEMBL3608515,9.09
+COc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,CHEMBL3608514,10.03
+Nc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,CHEMBL3608513,9.42
+Clc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,CHEMBL3608512,9.54
+Fc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,CHEMBL3608511,9.74
+c1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,CHEMBL3608510,9.66
+Clc1ccc([C@H]2C[C@H]3CC[C@H]2N3)cn1,CHEMBL513692,10.59
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612360,5.97
+CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612359,6.96
+CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612358,5.64
+CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL3612357,5.33
+CCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL3612356,5.4
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612361,5.56
+CNC(=O)OCCC(C)N(C)C,CHEMBL466400,7.892
+CNC(=O)OCCC(C)N(C)CCc1ccccc1,CHEMBL3616556,4.51
+CNC(=O)OCCC(C)N(C)CCCc1ccccc1,CHEMBL3616558,4.3
+CN(C)C(=O)OCCC(CCCc1ccccc1)N(C)C,CHEMBL3616559,5.725
+CN(C)C(=O)OCCC(CCCCc1ccccc1)N(C)C,CHEMBL3616560,5.96
+CN(C)C(=O)OCCC(CCCCCc1ccccc1)N(C)C,CHEMBL3616561,6.045
+CN(C)C(=O)OCCC(CCC(O)c1ccccc1)N(C)C,CHEMBL3616562,4.51
+CN(C)C(=O)OCCC(COc1ccccc1)N(C)C,CHEMBL3616563,4.0
+CN(C)C(=O)OCCC(COc1ccccn1)N(C)C,CHEMBL3616565,4.0
+CN(C)C(=O)OCCC(COCc1ccccc1)N(C)C,CHEMBL3616478,4.51
+CN(C)C(=O)OCCC(COc1nccs1)N(C)C,CHEMBL3616566,4.51
+CNC(=O)OCCC(CCc1ccccc1)N(C)C,CHEMBL3616567,5.175
+CNC(=O)OCCC(CCCc1ccccc1)N(C)C,CHEMBL3616568,4.955
+CNC(=O)OCCC(CCCCc1ccccc1)N(C)C,CHEMBL3616569,5.445
+CNC(=O)OCCC(CCCCCc1ccccc1)N(C)C,CHEMBL3616570,5.585
+CNC(=O)OCCC(CCC(O)c1ccccc1)N(C)C,CHEMBL3616571,4.0
+CN(C)C(CCCCc1ccccc1)CCOc1nccn1C,CHEMBL3616572,6.12
+Brc1ccc(N2CCCN(CCCc3ccccc3)CC2)cn1,CHEMBL3616573,6.085
+C(=C/N1CCCN(c2cccnc2)CC1)\c1ccccc1,CHEMBL3616574,7.0
+c1ccc(CN2CCCN(c3cccnc3)CC2)cc1,CHEMBL3616575,6.98
+c1ccc(CCN2CCCN(c3cccnc3)CC2)cc1,CHEMBL3616576,6.97
+c1ccc(CCCN2CCCN(c3cccnc3)CC2)cc1,CHEMBL3616577,7.09
+Brc1cccc(CCN2CCCN(c3cccnc3)CC2)c1,CHEMBL3616578,6.885
+c1ccc(CN2CCN(c3cccnc3)CC2)cc1,CHEMBL3616579,5.02
+c1ccc(CCN2CCN(c3cccnc3)CC2)cc1,CHEMBL1090908,6.25
+c1ccc(CCCN2CCN(c3cccnc3)CC2)cc1,CHEMBL1090909,6.305
+CC(CCOC(=O)N(C)C)N(C)C,CHEMBL486572,7.7
+CN(C)C(=O)OC[C@H]1C[C@H]1N,CHEMBL3622591,4.89
+CN(C)C(=O)OC[C@H]1C[C@@H]1N(C)C,CHEMBL3622592,4.0
+CN(C)C(=O)OC[C@H]1C[C@H]1N(C)C,CHEMBL3622594,5.82
+CNC(=O)OC[C@H]1C[C@H]1N(C)C,CHEMBL3622595,5.675
+CN(C)C(=O)N1CCC(N(C)C)C1,CHEMBL3622596,5.19
+CCNC(=O)N1CCC(N(C)C)C1,CHEMBL3622597,5.245
+CNC(=S)N1CCC(N(C)C)C1,CHEMBL3622598,5.635
+CCNC(=S)N1CCC(N(C)C)C1,CHEMBL3622599,5.925
+CN1CCN(C(=O)N(C)C)CC1,CHEMBL3622600,4.51
+CCNC(=O)N1CCN(C)CC1,CHEMBL3622601,5.0
+CNC(=S)N1CCN(C)CC1,CHEMBL3622602,4.72
+CCNC(=S)N1CCN(C)CC1,CHEMBL3622603,5.235
+CN1CCCN(C(=O)N(C)C)CC1,CHEMBL3622605,4.3
+CN(C)C(=O)N1CCCNCC1,CHEMBL3622606,4.95
+c1cncc(C2=NCCCC2)c1,CHEMBL1230982,7.17
+Oc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,CHEMBL3760021,6.9
+OCc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,CHEMBL3758513,6.37
+Oc1cccc(C2=NCCCC2)c1,CHEMBL3758367,4.49
+OCc1cccc(C2=NCCCC2)c1,CHEMBL3759208,4.46
+Cc1cccc(C2=NCCCC2)c1,CHEMBL3758565,5.84
+c1ccc(C2=NCCCC2)cc1,CHEMBL3759403,5.68
+Fc1cccc(C2=NCCCC2)c1,CHEMBL3758648,5.69
+Clc1cccc(C2=NCCCC2)c1,CHEMBL3759731,4.94
+Brc1cccc(C2=NCCCC2)c1,CHEMBL3759225,5.3
+Ic1cccc(C2=NCCCC2)c1,CHEMBL3758455,5.42
+Brc1cc(Br)cc(C2=NCCCC2)c1,CHEMBL3759852,4.73
+Fc1cc(Br)cc(C2=NCCCC2)c1,CHEMBL3759863,5.75
+OCc1cc(F)cc(C2=NCCCC2)c1,CHEMBL3758480,6.13
diff --git a/chembl_200/CHEMBL1908389.csv b/chembl_200/CHEMBL1908389.csv
new file mode 100644
index 0000000000000000000000000000000000000000..93bdff4ef22d14201aa81ca397a7de4ffa15c2a6
--- /dev/null
+++ b/chembl_200/CHEMBL1908389.csv
@@ -0,0 +1,599 @@
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(C3CC3)n2)c1,CHEMBL3393340,9.0
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+Cc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C#N)ccn2)n1,CHEMBL3393338,7.03
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(OC3CCC3)n2)c1,CHEMBL3393337,9.7
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC3)n2)c1,CHEMBL3393336,8.1
+COC1CN(c2cc(C3CCN(C4COC4)CC3)cc(Nc3cc(C#N)ccn3)n2)C1,CHEMBL3393335,8.1
+N#Cc1ccnc(Nc2cc(C3CN(C4COC4)C3)cc(N3CCC(F)(F)C3)n2)c1,CHEMBL3393334,9.15
+CC(C)(O)c1cc(Nc2cc(C#N)ccn2)nc(N2CCC(F)(F)C2)c1,CHEMBL3393332,8.3
+CC(C)(C#N)c1cc(Nc2cc(C#N)ccn2)nc(N2CCC(F)(F)C2)c1,CHEMBL3393331,7.85
+N#Cc1ccnc(Nc2cc(C3(C#N)CCOCC3)cc(N3CCC(F)(F)C3)n2)c1,CHEMBL3393330,8.3
+N#Cc1ccnc(Nc2cc(C3CCOCC3)cc(N3CCC(F)(F)C3)n2)c1,CHEMBL3393329,9.05
+CC(=O)N1CCC(c2cc(Nc3cc(C#N)ccn3)nc(N3CCC(F)(F)C3)c2)CC1,CHEMBL3393328,7.6
+CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)c2)CC1,CHEMBL3393327,9.0
+CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCOCC3)n2)CC1,CHEMBL3393326,6.37
+CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CC(F)(F)C3)n2)CC1,CHEMBL3393325,6.78
+CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1,CHEMBL3393324,7.48
+FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)C1,CHEMBL3393323,7.39
+FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCNCC3)n2)C1,CHEMBL3393322,8.7
+FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCCNC3)n2)C1,CHEMBL3393321,8.15
+FC(F)(F)c1ccnc(Nc2cc(C3CCCNC3)nc(N3CCCC3)n2)c1,CHEMBL3393320,8.15
+Cc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCNC2)n1,CHEMBL3393319,6.14
+COc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1,CHEMBL3393318,7.24
+Cc1nc(Nc2cc(C#N)ccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393317,7.05
+Cc1nc(Nc2ccccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393316,6.03
+Cc1nc(Nc2cc(C3CC3)ccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393315,7.74
+Cc1nc(Nc2cc(C(C)C)ccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393314,8.4
+CCc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1,CHEMBL3393313,6.71
+Cc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393312,7.62
+Cc1nc(Nc2ccc(C(F)(F)F)cn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393311,6.16
+Cc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1,CHEMBL3393310,7.07
+Cc1ccc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)nc1,CHEMBL3393309,6.4
+Cc1nc(Nc2ncc(C)s2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3393308,7.46
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)c1,CHEMBL3629013,7.38
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)c1,CHEMBL3629014,7.32
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(CC3CCC3)n2)c1,CHEMBL3629017,6.88
+N#Cc1ccnc(Nc2cc(C3CN(C4COC4)C3)n(C3CCCC3)n2)c1,CHEMBL3629018,7.32
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)C3)n(C3CCCC3)n2)c1,CHEMBL3629019,7.6
+N#Cc1ccnc(Nc2cc(C3CCOC3)n(C3CCCC3)n2)c1,CHEMBL3629172,7.27
+N#Cc1ccnc(Nc2nc(C3CC3)c(C3CCN(C4COC4)CC3)s2)c1,CHEMBL3629173,6.24
+CC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1,CHEMBL3629009,6.84
+CC(C)n1nc(Nc2cc(C#N)ccn2)cc1C1CCNCC1,CHEMBL3629010,6.8
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)c1,CHEMBL3629015,6.42
+N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCOCC3)n2)c1,CHEMBL3629016,6.23
+CC(C)n1nc(-c2cnc(N)c3c[nH]nc23)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3355006,6.57
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C(F)F,CHEMBL3717490,7.8
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CC3)n2)cc1C(F)F,CHEMBL3715814,7.92
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C(F)F,CHEMBL3714878,7.39
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CC3)n2)cc1C(F)(F)F,CHEMBL3717966,8.33
+CC(C)(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3717314,7.57
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1OC(F)(F)F,CHEMBL3716708,8.33
+CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3719135,8.72
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CCC3)n2)cc1OC(F)F,CHEMBL3715610,7.89
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1OC(F)(F)F,CHEMBL3714846,7.89
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CCC3)n2)cc1C1CC1,CHEMBL3718303,7.18
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C1CC1,CHEMBL3717907,7.68
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CCC3)n2)cc1C(F)(F)F,CHEMBL3714822,8.09
+COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cnc1N,CHEMBL3719330,7.7
+CC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3717627,7.46
+COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N,CHEMBL3719045,7.46
+CC(C)Oc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N,CHEMBL3715800,7.49
+CS(=O)(=O)c1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N,CHEMBL3718282,6.52
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1Cl,CHEMBL3718328,7.6
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1C1CC1,CHEMBL3716550,7.96
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C(F)(F)F,CHEMBL3715238,9.77
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1OC(F)F,CHEMBL3715482,8.26
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC(F)(F)F)n2)cc1Cl,CHEMBL3716363,7.66
+CC(C)Oc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cnc1N,CHEMBL3717487,7.96
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1C(F)(F)F,CHEMBL3718810,8.92
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1Cl,CHEMBL3716053,7.74
+CC(C)Oc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C(C)C)n2)cnc1N,CHEMBL3714890,7.85
+COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C(C)C)n2)cnc1N,CHEMBL3715469,8.13
+CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3715323,7.66
+CC(C)n1nc(-c2cnc3c(c2)C(C)(C)CN3)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3715625,7.13
+CC(C)n1nc(-c2cnc(N)c(C3CC3)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3715738,7.66
+CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3714987,8.1
+CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3716424,7.4
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C1CC1,CHEMBL3718982,7.43
+N#Cc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N,CHEMBL3717819,7.51
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1OC(F)F,CHEMBL3719037,8.13
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1Cl,CHEMBL3717180,7.62
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C(F)(F)F,CHEMBL3718574,8.05
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3717481,8.57
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3355005,9.4
+CC(C)n1nc(-c2cnc3[nH]cc(C#N)c3c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3715335,7.6
+CC(CC#N)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C,CHEMBL3717559,8.36
+CC(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C,CHEMBL3716069,8.25
+COCC(C)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C,CHEMBL3716760,8.89
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(C)(C)O)C[C@H]21,CHEMBL3718678,7.96
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CCC#N)C[C@H]21,CHEMBL3714894,8.23
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC(F)(F)F,CHEMBL3716725,8.72
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nn1C(C)C,CHEMBL3715950,8.24
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC1CCC1,CHEMBL3717868,7.57
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC1CC1,CHEMBL3718090,7.57
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC1CC1,CHEMBL3717538,8.1
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC1CC1(F)F,CHEMBL3715298,7.05
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(C)C,CHEMBL3715596,7.52
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nn1C(C)C,CHEMBL3718292,8.26
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1C(C)C,CHEMBL3719016,7.47
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C,CHEMBL3716231,8.03
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F,CHEMBL3718754,7.96
+CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C,CHEMBL3718265,8.25
+CC(C)n1nc(-c2cnc(N)c3c[nH]nc23)cc1[C@@H]1[C@H]2CN(CC(F)(F)F)C[C@H]21,CHEMBL3716822,6.02
+N#Cc1cc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)n(CC3CC3)n2)cnc1N,CHEMBL3717610,7.19
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)n(C3COC3)n2)cc1Cl,CHEMBL3717817,6.74
+CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(F)(F)F)C[C@H]21,CHEMBL3715745,8.35
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(F)F)C[C@H]21,CHEMBL3717769,9.0
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(S(C)(=O)=O)C[C@H]21,CHEMBL3714884,8.31
+Nc1ncc(-c2cc([C@@H]3[C@H]4CNC[C@H]43)n(CC(F)(F)F)n2)cc1C(F)(F)F,CHEMBL3719039,8.62
+CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1[C@H]1[C@@H]2COC[C@@H]21,CHEMBL3716659,6.89
+Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)n(C3CCCC3)n2)cc1Cl,CHEMBL3715457,7.02
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@H]1[C@@H]2COC[C@@H]21,CHEMBL3714788,7.04
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2CCC2)CC1,CHEMBL3716510,7.47
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2CCC2)CC1,CHEMBL3717104,9.0
+CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1CCN(C2COC2)CC1,CHEMBL3718347,7.16
+CC(C)n1nc(-c2cnc(N)c(C3CC3)c2)cc1C1CCN(C2COC2)CC1,CHEMBL3715893,6.44
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)cc1C(F)(F)F,CHEMBL3718065,6.09
+CC(C)n1nc(-c2cnc3c(c2)C(C)(C)CN3)cc1C1CCN(C2COC2)CC1,CHEMBL3718304,5.92
+N#Cc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N,CHEMBL3717151,6.77
+CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1,CHEMBL3716692,6.03
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl,CHEMBL3716915,6.0
+CC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N,CHEMBL3715823,6.92
+COc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N,CHEMBL3715637,6.85
+COc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N,CHEMBL3718839,6.59
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1OCC1CC1,CHEMBL3716149,6.19
+CC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cnc1N,CHEMBL3715398,6.04
+CCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cnc1N,CHEMBL3717925,6.0
+CC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N,CHEMBL3716934,6.59
+CCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N,CHEMBL3715127,6.41
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1C(F)(F)F,CHEMBL3716248,7.08
+CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1CCN(C2COC2)CC1,CHEMBL3718750,6.0
+CC(C)n1nc(-c2cnc3[nH]cc(C#N)c3c2)cc1C1CCN(C2COC2)CC1,CHEMBL3718873,6.92
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2COC2)CC1,CHEMBL3719126,6.82
+CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)CC1,CHEMBL3719209,7.02
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCOC3)n2)cc1Cl,CHEMBL3715142,6.01
+CC(C)n1nc(-c2cnc3[nH]cc(Cl)c3c2)cc1C1CCN(C2COC2)CC1,CHEMBL3716456,7.82
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1Cl,CHEMBL3716658,6.57
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2COC2)CC1,CHEMBL3718344,8.64
+Cc1c[nH]c2ncc(-c3cc(C4CCN(C5COC5)CC4)n(C(C)C)n3)cc12,CHEMBL3718912,8.43
+Cn1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2COC2)CC1,CHEMBL3714830,7.82
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2COC2)C1,CHEMBL3718592,7.52
+CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1,CHEMBL3355004,6.96
+CC(C)n1nc(-c2cnc3[nH]cc(Cl)c3c2)cc1C1CCN(C2COC2)C1,CHEMBL3715836,7.66
+Cc1c[nH]c2ncc(-c3cc(C4CCN(C5COC5)C4)n(C(C)C)n3)cc12,CHEMBL3715377,8.35
+Cc1c[nH]c2ncc(-c3cc(C4CCN(C5COC5)C4)n(C)n3)cc12,CHEMBL3715329,7.47
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C2COC2)C1,CHEMBL3715274,7.57
+CC(C)n1nc(-c2cnc3[nH]cc(C#N)c3c2)cc1C1CN(C2COC2)C1,CHEMBL3715234,6.51
+CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CN(C2COC2)C1,CHEMBL3715702,6.19
+CC(C)n1nc(-c2cnc3[nH]cc(Cl)c3c2)cc1C1CN(C2COC2)C1,CHEMBL3719229,7.47
+FC1(F)CCC(n2nc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)cc2C2CN(C3COC3)C2)C1,CHEMBL3718960,7.89
+FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12,CHEMBL3715141,7.72
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CN(C2COC2)C1,CHEMBL3715325,9.32
+COCCN1CCC(c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CC1,CHEMBL3718576,7.25
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(CC#N)CC1,CHEMBL3714843,7.25
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(CC#N)CC1,CHEMBL3716226,9.77
+CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)CC1,CHEMBL3718645,8.43
+CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C(C)C)CC1,CHEMBL3717119,7.72
+CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C)CC1,CHEMBL3716132,7.92
+CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C)CC1,CHEMBL3715924,7.33
+CC(C)n1nc(-c2cnc3[nH]cc(C#N)c3c2)cc1C1CCN(CC(F)(F)F)CC1,CHEMBL3714930,7.55
+CN1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C2CC(F)(F)C2)CC1=O,CHEMBL3718757,6.85
+CN1CCC(c2cc(-c3cnc(N)c(Cl)c3)nn2C2CC(F)(F)C2)CC1=O,CHEMBL3718909,7.22
+Cc1c[nH]c2ncc(-c3cc(C4CCN(C)C(=O)C4)n(C4CC(F)(F)C4)n3)cc12,CHEMBL3715246,6.6
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C)CC1,CHEMBL3717094,7.35
+CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C)CC1,CHEMBL3355003,9.77
+Nc1ncc(-c2cc(C3CCOCC3)n(C3CC(F)(F)C3)n2)cc1Cl,CHEMBL3718307,6.34
+FC1(F)CC(n2nc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)cc2C2CCOCC2)C1,CHEMBL3716506,7.24
+Cc1c[nH]c2ncc(-c3cc(C4CCOCC4)n(C4CC(F)(F)C4)n3)cc12,CHEMBL3719147,7.0
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1(O)CCCC1,CHEMBL3717336,6.8
+Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@H]4CCC(F)(F)C4)n3)cc12,CHEMBL3718217,8.15
+Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@@H]4CCC(F)(F)C4)n3)cc12,CHEMBL3717622,8.15
+Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@H]4CCC(F)(F)C4)n3)cc12,CHEMBL3718463,8.15
+FC(F)(F)c1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@@H]4CCOC4)n3)cc12,CHEMBL3716996,8.02
+FC(F)(F)c1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@H]4CCOC4)n3)cc12,CHEMBL3717402,8.02
+FC(F)(F)c1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@H]4CCOC4)n3)cc12,CHEMBL3715815,8.02
+Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@@H]4CCC(F)(F)C4)n3)cc12,CHEMBL3719179,8.15
+FC(F)(F)c1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@@H]4CCOC4)n3)cc12,CHEMBL3719370,8.02
+Nc1ncc(-c2cc(C3CCOC3)n(C3CC(F)(F)C3)n2)cc1Cl,CHEMBL3718210,6.26
+Nc1ncc(-c2cc(C3CCOC3)n(C3CCC(F)(F)C3)n2)cc1Cl,CHEMBL3715988,6.46
+CCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12,CHEMBL3715928,7.6
+Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CC(F)(F)C4)n3)cc12,CHEMBL3717388,7.09
+Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n(CC4CC4)n3)cc12,CHEMBL3717099,7.59
+Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n(CC4CC4)n3)cc12,CHEMBL3715643,7.59
+FC1(F)CCC(n2nc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)cc2C2CCOC2)C1,CHEMBL3715873,7.89
+FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCOC4)n3)cc12,CHEMBL3718022,7.46
+Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCC(F)(F)C4)n3)cc12,CHEMBL3717078,7.13
+Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(CC4CC4)n3)cc12,CHEMBL3717079,7.54
+CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C(C)C)C1,CHEMBL3718197,7.59
+CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C)C1,CHEMBL3719042,7.47
+CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)C1,CHEMBL3717882,8.19
+CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2CC2CC2)C1,CHEMBL3716124,7.12
+CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2CC2CC2)C1,CHEMBL3717492,8.0
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C)C1,CHEMBL3715020,6.33
+CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C(C)(C)C#N,CHEMBL3716965,6.85
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)C#N,CHEMBL3715147,6.11
+CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O,CHEMBL3715583,6.85
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)O,CHEMBL3718563,6.96
+CC(C)c1cc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)nn1C1CN(C2COC2)C1,CHEMBL3717680,7.47
+CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC1CN(C1COC1)C2,CHEMBL3715477,6.0
+CS(=O)(=O)c1cc(-c2cc([C@@H]3[C@H]4CN(C5CCC5)C[C@H]43)n(C3CCCC3)n2)cnc1N,CHEMBL3718859,6.74
+CC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2[C@@H]2[C@H]3CN(C4COC4)C[C@H]32)CC1,CHEMBL3715788,9.17
+CC(C)n1nc(-c2cnc(N)c(OC(C)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3717401,6.89
+CC(C)n1nc(-c2cnc(N)c(C(C)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21,CHEMBL3718242,8.04
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC(F)(F)F)n2)cc1C(F)(F)F,CHEMBL3718522,8.8
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1OC(F)F,CHEMBL3716545,8.41
+COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1,CHEMBL3731284,9.0
+Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1,CHEMBL2017971,6.15
+Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc(C2CCN(C(=O)c3ccccc3)C2)n1,CHEMBL3731097,5.19
+CC(=O)N1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1,CHEMBL3729369,8.7
+CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)nc4)nc(N4CC5CC4C5)n3)[C@@H]2C1,CHEMBL3732808,8.0
+Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3731011,8.52
+Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1C(F)(F)F,CHEMBL3729569,7.7
+Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F,CHEMBL3733015,7.7
+Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3727638,7.7
+Nc1ncc(-c2cc([C@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3729274,6.96
+COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1,CHEMBL3727692,8.52
+CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1,CHEMBL3730273,9.0
+CCC(=O)N1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1,CHEMBL3727659,8.1
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3732360,9.0
+COC1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CC4CC3CO4)n2)C1,CHEMBL3728848,7.66
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCC4)C3)n2)cc1OC(F)F,CHEMBL3731955,8.0
+Nc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CC4CCOC4C3)n2)cc1OC(F)F,CHEMBL3731594,7.85
+COC1(C)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3733194,7.1
+Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3732769,7.7
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCC3)n2)cc1OC(F)F,CHEMBL3730252,8.24
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3730823,9.29
+CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N,CHEMBL3729351,8.1
+CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cnc1N,CHEMBL3729103,8.05
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1C1CC1,CHEMBL3729476,7.3
+Nc1ncc(-c2cc(N3CC4CC4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3728219,8.7
+N#CC1(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)CCC1,CHEMBL3730911,7.4
+N#CC1(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)c2)CCC1,CHEMBL3732280,7.05
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(C(F)(F)F)CC3)n2)cn1,CHEMBL3730820,6.66
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@@H]3CC4(F)F)n2)cn1,CHEMBL3728224,6.96
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(C4CC4)CC3)n2)cn1,CHEMBL3731460,5.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)C3)n2)cn1,CHEMBL3727745,6.19
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cn1,CHEMBL3732804,7.52
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cn1,CHEMBL3727959,7.4
+Nc1ncc(-c2cc(N3C4CCCC3CCC4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3728686,6.57
+CC(=O)N1CC2C(C1)C2c1cc(-c2cnc(N)nc2)nc(C2CC2)n1,CHEMBL3730342,6.28
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC4C3)n2)cc1OC(F)F,CHEMBL3727797,8.52
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3730836,8.0
+CC(C)(O)CN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3728240,8.0
+CC(=O)N1CC2C(C1)C2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3731339,7.7
+Nc1ncc(-c2cc(N3CC4CCC(C3)N4C3COC3)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729398,6.68
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC3)CC4)n2)cn1,CHEMBL3730930,6.92
+CN1CCCC12CN(c1nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n1)C2,CHEMBL3731483,5.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCC(F)(F)[C@H]4C3)n2)cn1,CHEMBL3730876,6.89
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCC4(F)F)C3)n2)cn1,CHEMBL3727666,6.8
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)(F)C3)n2)cn1,CHEMBL3729575,6.57
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cn1,CHEMBL3729402,7.07
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CC(F)(F)C[C@H]4C3)n2)cn1,CHEMBL3731512,6.7
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cn1,CHEMBL3727680,6.39
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCCC3)n2)cn1,CHEMBL3728845,6.27
+CN1CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1,CHEMBL3732057,5.79
+CCN(CC)c1nc(-c2cnc(N)nc2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3729157,7.15
+CN1CC2(CCN(c3nc(-c4cnc(N)nc4)cc(N4C[C@@H]5C[C@H]4CO5)n3)CC2)C1,CHEMBL3728016,5.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(C4CCC4)CC3)n2)cn1,CHEMBL3732422,5.76
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)CC3)n2)cn1,CHEMBL3731320,7.15
+CN1C[C@@H]2C[C@H](C1)CN2c1nc(-c2cnc(N)nc2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3730491,5.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC3)CC(F)C4)n2)cn1,CHEMBL3729700,6.77
+CC(=O)N1C2CCC1CC(c1cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n1)C2,CHEMBL3733093,6.55
+CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3732744,8.4
+Nc1ncc(-c2cc(N3C[C@H](F)[C@H](F)C3)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730210,7.15
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730700,6.54
+CCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3729884,6.66
+CC(C)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3732153,6.66
+Nc1ncc(-c2cc(C3CC4CCC(C3)N4CC(F)(F)F)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730345,6.77
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732917,7.62
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1,CHEMBL3731906,5.97
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)C3)n2)cc1OC(F)F,CHEMBL3732234,7.7
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3728814,7.52
+Nc1ncc(-c2cc(C34CC(CN3)C4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729997,6.09
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3732123,8.3
+COCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3727397,9.0
+COC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3732912,9.0
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3732271,8.0
+CC1(C)CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3731417,5.96
+COC1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3728416,5.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1OC(F)(F)F,CHEMBL3731159,7.7
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3728674,7.52
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3729567,8.15
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3729191,8.0
+CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3731528,7.52
+CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3731991,7.3
+CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3729148,9.0
+CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3727449,9.0
+CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3730912,9.0
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729714,6.37
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727502,6.7
+CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3732600,8.0
+CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3727625,8.0
+CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3729672,8.0
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729944,6.96
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)CC3)n2)cn1,CHEMBL3728083,6.66
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cn1,CHEMBL3730397,7.0
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732012,9.0
+Nc1ncc(-c2cc(N3C4CC5CC(C4)CC3C5)nc(N3CC4CC3C4)n2)cn1,CHEMBL3731670,6.08
+Cc1nc(-c2cnc(N)nc2)cc(C2CCN(C(=O)c3ccccc3)C2)n1,CHEMBL3728407,5.76
+Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3728710,5.19
+Cc1nc(-c2cnc(N)nc2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1,CHEMBL3732460,5.77
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3731841,7.92
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cn1,CHEMBL3727733,5.79
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1Cl,CHEMBL3731162,6.31
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1C(F)(F)F,CHEMBL3728348,6.16
+COC1CN(c2cc(C3CCN(C4COC4)CC3)cc(-c3cnc(N)c(C(F)(F)F)c3)n2)C1,CHEMBL3732680,6.13
+CC1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1,CHEMBL3729769,7.22
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729945,7.7
+CC1(C)CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)CCO1,CHEMBL3728082,6.32
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)cc(N3CC4CC3C4)n2)cn1,CHEMBL3730592,6.49
+Nc1ncc(-c2cc(N3C4CCC3COC4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3728787,6.89
+Nc1ncc(-c2cc(N3CC4CC3C4)cc(N3CC4CC3C4)n2)cn1,CHEMBL3732855,6.01
+Nc1ncc(-c2cc(N3C4CCC3COC4)cc(N3CC4CC3C4)n2)cn1,CHEMBL3730148,5.87
+Nc1ncc(-c2cc(N3C4CCC3CC(O)C4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3728972,7.16
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1C(F)(F)F,CHEMBL3730377,7.74
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1Cl,CHEMBL3729826,7.62
+N#Cc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cnc1N,CHEMBL3733147,7.59
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727796,9.0
+Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3728429,7.37
+Nc1ncc(-c2cc(N3CC4CCC(C3)O4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729179,7.0
+CC1CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)CC(C)O1,CHEMBL3728336,6.49
+CC1(O)CC2CCC(C1)N2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3732859,6.85
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cn1,CHEMBL3729350,6.17
+Nc1ncc(-c2cc(N3CC4CC4C3)nc(N3CC4CC3C4)n2)cn1,CHEMBL3733221,7.55
+Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H]3C4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3732560,8.0
+Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H]3C4)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727991,8.7
+Nc1ncc(-c2cc(C3C4CCC3CNC4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730780,7.0
+Nc1ncc(-c2cc(N3CC4CC3CN4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729658,6.89
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F,CHEMBL3729719,8.0
+Nc1ncc(-c2cc(C3C4CCC3CN(C3COC3)C4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3732904,6.39
+Nc1ncc(-c2nc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)c2F)cn1,CHEMBL3727421,6.68
+N#CC1(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)CCC1,CHEMBL3729565,6.68
+Nc1ncc(-c2cc(N3C4CCCC3CC4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730626,7.3
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)(F)F)nc(N3CC4CC3C4)n2)cn1,CHEMBL3730890,7.29
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)nc(N3CC4CC3C4)n2)cn1,CHEMBL3728816,6.77
+CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1,CHEMBL3733171,7.47
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC4C3)n2)cn1,CHEMBL3732599,7.42
+Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1,CHEMBL3731907,7.1
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)cc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3728984,7.22
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(CC4CC4)CC3)n2)cn1,CHEMBL3730980,5.79
+Nc1ncc(-c2cc(C3CC4CCC(C3)N4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3731993,6.8
+CC(C)(C#N)c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)c1,CHEMBL3730758,7.01
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(c5nccs5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3729252,7.79
+Nc1ncc(-c2cc(N3CCOCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727535,8.3
+Nc1ncc(-c2cc(N3CCOCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3727942,8.52
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cc1OC(F)F,CHEMBL3730236,8.49
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3733343,7.86
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC1CC1,CHEMBL3729112,7.78
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCO[C@H]4C3)n2)cc1OC(F)(F)F,CHEMBL3731318,6.74
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCO[C@H]4C3)n2)cc1C(F)(F)F,CHEMBL3729749,6.86
+Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cn1,CHEMBL3729601,6.97
+Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3731707,7.83
+Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F,CHEMBL3730382,7.18
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F,CHEMBL3728798,8.53
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)C3)n2)cc1OC(F)F,CHEMBL3730923,8.39
+Nc1ncc(-c2cc(N3C[C@H]4CCO[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3730967,8.39
+Nc1ncc(-c2cc(N3CC4CC(C3)N4C3COC3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3733157,7.6
+CC1(CN2C[C@H]3[C@@H](C2)[C@@H]3c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)COC1,CHEMBL3729547,8.16
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(CCOC)C[C@H]32)n1,CHEMBL3730670,7.62
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(C4COC4)C[C@H]32)n1,CHEMBL3731181,7.15
+Cn1ccnc1N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3729613,9.51
+Nc1ncc(-c2cc(N3C[C@H]4COC[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3732071,7.15
+Nc1ncc(-c2cc(N3CCC4(COC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3731405,8.64
+Nc1ncc(-c2cc(N3CCC4(CCOC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727508,8.34
+Nc1ncc(-c2cc(N3CCC4(CC3)COC4)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3729163,8.23
+COC1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1,CHEMBL3732417,8.13
+Nc1ncc(-c2cc(N3CCC3)nc(C3CCC3)n2)cc1OC(F)F,CHEMBL3731967,8.3
+Nc1ncc(-c2cc(N3CCC3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3732674,7.8
+Nc1ncc(-c2cc(C3CN(C4COC4)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3730552,6.67
+CCn1cc(-c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)cn1,CHEMBL3728074,7.34
+CC(=O)N1C[C@@H]2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@@H]21,CHEMBL3731498,8.75
+Nc1ncc(-c2cc(N3C[C@H]4CN(C5COC5)[C@H]4C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3729051,7.85
+CC(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3729007,8.32
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1C1CC1(F)F,CHEMBL3730117,6.91
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3732755,7.06
+Nc1ncc(-c2cc(-c3cnn(C4CC4)c3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3729194,7.17
+Nc1ncc(-c2cc(N3CCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727553,8.06
+CC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1nccn1C,CHEMBL3727525,6.55
+Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3728310,7.94
+CC(C)c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3732320,7.98
+CC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)CCO1,CHEMBL3727987,6.88
+Nc1ncc(-c2cc(N3CCC4(CC3)COC4)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3727844,7.77
+Nc1ncc(-c2cc(N3C[C@H]4CCO[C@H]4C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3732335,7.42
+Nc1ncc(-c2cc(N3CCC4(CCOC4)C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3729505,7.72
+Nc1ncc(-c2cc(N3C[C@H]4COC[C@H]4C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3730929,7.84
+Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)cc(N3CCC3)n2)cc1OC(F)F,CHEMBL3729285,7.69
+Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3728287,8.71
+Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3732702,8.37
+COC1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1,CHEMBL3731505,7.49
+Nc1ncc(-c2cc(N3CCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3729735,8.14
+Nc1ncc(-c2cc(N3CCC3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3732260,7.92
+Nc1ncc(-c2cc(N3CCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3728366,8.23
+CO[C@@H](C)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3733341,8.44
+CC(C)(O)CN1CC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)c2)C1,CHEMBL3732640,8.03
+COCCN1CC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)c2)C1,CHEMBL3732627,7.94
+Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CCC3)n2)cc1OC(F)F,CHEMBL3732199,6.79
+Cc1nccn1-c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1,CHEMBL3728313,7.74
+Cc1nccn1-c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3730768,6.37
+COCCN1CCC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CC1,CHEMBL3728944,7.39
+Nc1ncc(-c2cc(N3CC4(CCOC4)C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3728681,8.02
+COC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1,CHEMBL3730391,8.18
+COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1,CHEMBL3732538,7.31
+COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1,CHEMBL3728459,8.07
+Nc1ncc(-c2cc(N3CC(F)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3730621,8.18
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)c2c1OCC2,CHEMBL3731962,7.18
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(OC)C2)n1,CHEMBL3727767,7.77
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(F)C2)n1,CHEMBL3730465,7.82
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(C2CC2)n1,CHEMBL3729524,7.74
+COCCN1C[C@@H]2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@@H]21,CHEMBL3732033,7.49
+COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1,CHEMBL3730793,8.38
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(C4CCOC4)C[C@H]32)n1,CHEMBL3731631,7.695
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,CHEMBL3733275,9.11
+Nc1ncc(-c2cc(C3CCN(C4COC4)C3)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3732135,7.765
+COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(C2CC2)n1,CHEMBL3732927,7.61
+CC1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3731156,8.505
+COCCN1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CC1C,CHEMBL3733208,7.655
+CC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CCN1C1COC1,CHEMBL3729237,7.32
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(CC(C)O)C[C@H]32)n1,CHEMBL3728116,7.855
+Nc1ncc(-c2cc(C3CC4CC(C3)CN(C3COC3)C4)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3733108,8.34
+COCCN1CC2CC(CC(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C2)C1,CHEMBL3729832,8.4
+CCc1cc([C@H]2[C@@H]3CN(CCO)C[C@@H]32)cc(-c2cnc(N)c(OC(F)F)c2)n1,CHEMBL3729605,8.34
+Cc1cnc(C(C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1,CHEMBL3729324,6.72
+Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3728181,7.1
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(C(F)F)C3)n2)cc1OC(F)F,CHEMBL3732323,8.41
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(C(F)F)C3)n2)cc1OC(F)F,CHEMBL3728939,7.77
+CCOC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1,CHEMBL3731453,8.57
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC2)n1,CHEMBL3728114,7.53
+Nc1ncc(-c2cc(C3CN(C4CCOC4)C3)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3732262,7.17
+Nc1ncc(-c2cc(N3C[C@H](F)[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3732448,7.5
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cc1C(F)(F)F,CHEMBL3729634,6.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1C(F)(F)F,CHEMBL3732771,7.44
+CCc1cc([C@H]2[C@@H]3CN(C4COC4)C[C@@H]32)cc(-c2cnc(N)c(OC(F)F)c2)n1,CHEMBL3727916,7.5
+CC1(O)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1,CHEMBL3732343,7.72
+COC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1,CHEMBL3727644,7.92
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(C)(OC)C2)n1,CHEMBL3732147,7.63
+Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3729374,6.85
+Nc1ncc(-c2cc(N3CC[C@@H](F)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3732429,8.08
+Nc1ncc(-c2cc(N3CC[C@H](F)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3728901,8.14
+COCCN1C[C@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)c3)[C@H]2C1,CHEMBL3732684,8.9
+CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3731122,9.28
+CC(c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C(F)(F)F,CHEMBL3730871,7.77
+Nc1ncc(-c2cc(N3CC[C@@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3727470,7.22
+Nc1ncc(-c2cc(N3CC[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3729006,7.44
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1Oc1ccccn1,CHEMBL3732287,7.48
+COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Oc3ccccn3)c2)nc(C2CC2)n1,CHEMBL3729227,7.72
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730390,8.35
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCCC3)n2)cc1OC(F)F,CHEMBL3727400,7.64
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3728516,8.06
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CC3C4)n2)cn1,CHEMBL3727559,6.82
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3731551,8.45
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3729580,7.26
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3F)n2)cc1OC(F)F,CHEMBL3728490,7.64
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC(F)(F)F)n2)cc1OC(F)F,CHEMBL3727679,7.21
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3727765,7.21
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)cc(C3CC3)n2)cc1OC(F)F,CHEMBL3733359,6.49
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1Cc1ccccn1,CHEMBL3733079,6.81
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](Oc4ccccc4)C3)n2)cn1,CHEMBL3728015,6.93
+Cc1nnc(C(C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1,CHEMBL3729804,6.76
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](Oc4ccccc4)C3)n2)cn1,CHEMBL3728547,7.19
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3730483,8.02
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728729,8.2
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC(F)F)n2)cc1OC(F)F,CHEMBL3732918,8.02
+Nc1ncc(-c2cc(N3CCC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732400,8.165
+Nc1ncc(-c2cc(N3CCC(N4CCOCC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3728673,8.14
+Nc1ncc(-c2cc(N3CCC(N4CCOCC4)C3)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3732948,8.005
+CC(c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C1CC1,CHEMBL3729883,7.725
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3727385,8.83
+C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3732198,8.12
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3C[C@@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3727890,7.37
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3729553,7.73
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3727618,7.75
+CC(C)(C)c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3733309,7.53
+CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CC(N4CCOCC4)C[C@H]32)n1,CHEMBL3727513,7.625
+Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3731770,8.19
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3(C(F)(F)F)CC=NN3)n2)cc1OC(F)F,CHEMBL3732823,6.52
+Nc1ncc(-c2cc(N3CC(N4CCCCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730307,6.49
+Nc1ncc(-c2cc(C3CCN(C4COC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729976,7.79
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCCC3)n2)cc1OC(F)F,CHEMBL3729696,8.92
+Nc1ncc(-c2cc(N3CC(N4CCC(F)(F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729121,8.09
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC4CCC3C4)n2)cc1OC(F)F,CHEMBL3728640,8.19
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(COC4)C3)n2)cc1OC(F)F,CHEMBL3729863,7.84
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F,CHEMBL3727405,7.13
+Nc1ncc(-c2cc([C@@H]3[C@H]4CC(N5CCOCC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3733164,8.33
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC3CC3(F)F)n2)cc1OC(F)F,CHEMBL3731464,7.77
+Nc1ncc(-c2cc(N3CC(N4CC[C@@H](F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730475,8.18
+Nc1ncc(-c2cc(N3CC(N4CC[C@H](F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3731106,8.13
+CC1C(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F,CHEMBL3730040,8.42
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CCCC3)n2)cc1OC(F)F,CHEMBL3733120,6.94
+CC1(C)CN(C2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CCC(F)(F)C4)n3)C2)CCO1,CHEMBL3732088,8.49
+Nc1ncc(-c2cc(N3CC(N4CCC(F)CC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729772,8.21
+CN(C)C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1,CHEMBL3729913,8.07
+Nc1ncc(-c2cc(N3CC(N4CCCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728693,7.99
+Nc1ncc(-c2cc(N3CC(N4CCCC4=O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3727721,8.24
+Nc1ncc(-c2cc(N3CC(N4CC(F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730533,8.09
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4C(C3)C4(Cl)Cl)n2)cc1OC(F)F,CHEMBL3731771,8.01
+Nc1ncc(-c2cc(N3CC(N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3731062,8.2
+Nc1ncc(-c2cc(N3CCC(N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729960,8.35
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CCC3)n2)cc1OC(F)F,CHEMBL3728612,7.25
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)(F)F,CHEMBL3730048,7.09
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)(F)F,CHEMBL3731591,7.23
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C34CCC(CC3)C4)n2)cc1OC(F)F,CHEMBL3728489,7.61
+Nc1ncc(-c2cc(N3CC(N4CCCCC4=O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732864,8.49
+Nc1ncc(-c2cc([C@H]3C[C@@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732962,7.98
+Nc1ncc(-c2cc([C@H]3C[C@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3733185,7.83
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C34CCC(CC3)CC4)n2)cc1OC(F)F,CHEMBL3733122,7.55
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OCC(F)(F)F,CHEMBL3729391,7.37
+Nc1ncc(-c2cc(N3CC4C(C3)C4(Cl)Cl)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730735,7.52
+Nc1ncc(-c2cc(C3CC(O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729651,7.93
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3(C(F)(F)F)CC3)n2)cc1OC(F)F,CHEMBL3728872,7.71
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729443,7.89
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728902,9.24
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CCC3)n2)cc1OC(F)F,CHEMBL3730817,8.03
+Nc1ncc(-c2cc(N3CC(N4CCC(F)(F)CC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732758,7.95
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC(F)(F)C4C3)n2)cc1OC(F)F,CHEMBL3729060,8.05
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3CC4F)n2)cc1OC(F)F,CHEMBL3730808,7.973
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3CC4(F)F)n2)cc1OC(F)F,CHEMBL3733135,7.86
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CCOC4)C3)n2)cc1OC(F)F,CHEMBL3733234,7.77
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC3)COC4)n2)cc1OC(F)F,CHEMBL3727772,7.55
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCOC4)C3)n2)cc1OC(F)F,CHEMBL3730623,7.32
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCCOC4)C3)n2)cc1OC(F)F,CHEMBL3731880,7.41
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCOCC4)C3)n2)cc1OC(F)F,CHEMBL3731490,7.27
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728626,8.01
+CC1CCCCN1C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1,CHEMBL3730992,7.49
+C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3728711,7.47
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3733168,8.15
+Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730993,7.41
+Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3733144,7.37
+Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3727898,7.39
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1SC(F)(F)F,CHEMBL3732292,7.01
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC=C(F)C3)n2)cc1OC(F)F,CHEMBL3731104,8.29
+CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@H](N4CCOCC4)C3)n2)C1,CHEMBL3732496,8.1
+Nc1ncc(-c2cc([C@H]3C[C@@H](N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3727603,8.02
+Nc1ncc(-c2cc([C@H]3C[C@H](N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729751,7.96
+C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCOCC4)C3)n2)C1,CHEMBL3731682,7.76
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCOCC4)C3)n2)C1,CHEMBL3732366,8.59
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3729710,6.84
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)C3)n2)cc1OC(F)F,CHEMBL3732498,7.44
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3730790,8.51
+Nc1ncc(-c2cc(N3CCCOCC3)nc(C3CC[C@@H](F)C3)n2)cc1OC(F)F,CHEMBL3730862,7.22
+Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3727519,7.91
+Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3732158,7.8
+Nc1ncc(-c2cc(N3CC4CC(C3)O4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728997,8.48
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCC(F)C3)n2)cc1OC(F)F,CHEMBL3732707,8.067
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3733363,8.64
+COC1CC2CC1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC(F)(F)C2)n1,CHEMBL3732966,8.333
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CCC4(COC4)C3)n2)cc1OC(F)F,CHEMBL3728623,8.3
+Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3730248,8.16
+Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F,CHEMBL3731965,8.09
+Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CC(F)C3)n2)cc1OC(F)F,CHEMBL3731797,6.96
+CC1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1,CHEMBL3732256,7.96
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@@H]3CO4)n2)C1,CHEMBL3732989,8.64
+C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@@H]3CO4)n2)C1,CHEMBL3732042,8.01
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(C3CC3)n2)cc1OC(F)F,CHEMBL3728789,8.08
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CCOC3)n2)cc1OC(F)F,CHEMBL3732209,8.17
+Nc1ncc(-c2cc(N3CC(n4cccn4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732387,8.0
+C[C@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3732140,7.92
+C[C@@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1,CHEMBL3732536,8.58
+C[C@]1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1,CHEMBL3729886,8.27
+CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1,CHEMBL3732975,8.835
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)CC3)n2)cc1OC(F)F,CHEMBL3733035,7.68
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)CC3)n2)cc1OC(F)F,CHEMBL3729721,7.74
+CN(C1CCOC1)C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1,CHEMBL3731139,7.92
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H]4C[C@H]43)n2)cc1OC(F)F,CHEMBL3732447,9.04
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC4)C3)n2)cc1OC(F)F,CHEMBL3732434,8.26
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC4)C3)n2)cn1,CHEMBL3727776,7.59
+COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3731696,8.315
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H]4C[C@@H]43)n2)cc1OC(F)F,CHEMBL3732667,8.18
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F,CHEMBL3727946,8.09
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4=O)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F,CHEMBL3727899,8.185
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3C(F)F)n2)cc1OC(F)F,CHEMBL3727565,8.3
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(C3)CC4(F)F)n2)cc1OC(F)F,CHEMBL3728386,8.155
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCCOCC4)C3)n2)C1,CHEMBL3731609,8.94
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3CF)n2)cc1OC(F)F,CHEMBL3727829,8.24
+Nc1ncc(-c2cc(-n3cccn3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3728271,6.73
+CC1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F,CHEMBL3729389,8.61
+CC1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F,CHEMBL3728061,7.75
+CC1=C(F)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3728098,8.55
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@@H]4C3)n2)C1,CHEMBL3732793,8.43
+Nc1ncc(-c2cc(N3CC(N4CCCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3730195,8.11
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3731916,8.69
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@H]4C3)n2)C1,CHEMBL3729681,8.72
+Nc1ncc(-c2cc(N3CCN4CCCC4C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3732217,8.0
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3731838,8.03
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)n2)C1,CHEMBL3732383,8.48
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCOC3)n2)cc1OC(F)F,CHEMBL3730851,7.72
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(C3)CC4(F)F)n2)cn1,CHEMBL3732465,7.985
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCOCC3)n2)cc1OC(F)F,CHEMBL3733034,7.89
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4COC[C@H]4C3)n2)cc1OC(F)F,CHEMBL3732188,7.78
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(Cl)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1,CHEMBL3731724,7.89
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@H](N4C[C@@H]5C[C@H]4CO5)C3)n2)C1,CHEMBL3732685,8.63
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](F)C3)n2)cn1,CHEMBL3729510,7.13
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)C3)n2)cc1OC(F)F,CHEMBL3727681,8.23
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC34CC4)n2)cc1OC(F)F,CHEMBL3730513,8.21
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(-c3ccccn3)n2)cc1OC(F)F,CHEMBL3731804,8.1
+Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(-c3nccs3)n2)cc1OC(F)F,CHEMBL3730276,8.33
+C[C@H]1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@H]1F,CHEMBL3729093,7.405
+Nc1ncc(-c2cc(N3CCC4CC3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3731242,8.585
+Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3C4F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,CHEMBL3727990,8.09
+C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4OC[C@H]3C4F)n2)C1,CHEMBL3730695,8.58
+Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3C4F)nc(N3CC4CC3C4)n2)cc1OC(F)F,CHEMBL3731117,8.09
diff --git a/chembl_200/CHEMBL1916.csv b/chembl_200/CHEMBL1916.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0b99e43d67e62129f3fe98c641d05dfde2a30ea0
--- /dev/null
+++ b/chembl_200/CHEMBL1916.csv
@@ -0,0 +1,559 @@
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,7.22
+Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2,CHEMBL432155,6.64
+Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2,CHEMBL308570,7.72
+CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,CHEMBL836,8.1
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,6.67
+CC1CN=C(Nc2ccc3nccnc3c2Br)N1,CHEMBL72995,6.19
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,6.71
+Cc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL49137,7.563
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,6.39
+Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1,CHEMBL72147,6.19
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,6.17
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,6.35
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,6.455
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,7.13
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,7.09
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC[N-][N+]#N)N1,CHEMBL98063,6.65
+COc1nc(C)nc(Cl)c1NC1=NCCN1,CHEMBL19236,5.7
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,7.2
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,7.78
+COc1ccc(Nc2ncc[nH]2)c(C)c1,CHEMBL77913,6.29
+COc1ccc(Nc2ncc[nH]2)c(C)c1OC,CHEMBL308863,5.82
+Cc1c(Nc2ncc[nH]2)ccc2nccnc12,CHEMBL75491,6.47
+c1c[nH]c(Nc2ccc3nc[nH]c3c2)n1,CHEMBL74544,6.4
+COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C,CHEMBL75257,7.06
+Brc1ccccc1Nc1ncc[nH]1,CHEMBL76457,5.62
+Clc1cccc(Cl)c1Nc1ncc[nH]1,CHEMBL1022,5.96
+c1c[nH]c(Nc2ccc3nccnc3c2)n1,CHEMBL74449,5.06
+COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C,CHEMBL78190,6.54
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,5.65
+COc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL6310,5.76
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,6.09
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL299879,7.0
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,7.68
+CCc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL123448,7.46
+COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL123325,8.3
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL279436,6.642
+CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2,CHEMBL114166,7.19
+COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12,CHEMBL122404,7.55
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,CHEMBL3392247,6.25
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284103,6.49
+CN1CCc2c(Cl)ccc3oc(Br)c(c23)C1,CHEMBL123138,7.55
+COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL10347,9.0
+CN1CCc2cccc(Cl)c2CC1,CHEMBL123349,7.7
+COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL31410,6.79
+Cc1c(NC2=NCCN2)ccc2c1NCCO2,CHEMBL298936,8.05
+Cc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL49284,6.92
+Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,CHEMBL647,7.52
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2,CHEMBL93171,9.7
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,7.72
+COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL422597,8.64
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2,CHEMBL94435,7.05
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2,CHEMBL93801,7.89
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2,CHEMBL91297,7.05
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,8.68
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2,CHEMBL420830,8.02
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2,CHEMBL92496,7.05
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2,CHEMBL90966,7.44
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2,CHEMBL90419,8.72
+COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL90247,8.72
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2,CHEMBL328735,8.28
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL93489,8.21
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2,CHEMBL327875,9.22
+C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1,CHEMBL90943,8.77
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2,CHEMBL91824,7.52
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2,CHEMBL90843,7.05
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2,CHEMBL94129,8.51
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2,CHEMBL328377,8.33
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2,CHEMBL328631,9.1
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2,CHEMBL98889,8.68
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL95218,9.15
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL419894,7.64
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2,CHEMBL101411,8.0
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2,CHEMBL101361,9.05
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2,CHEMBL419336,9.15
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2,CHEMBL99916,9.3
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2,CHEMBL98646,9.7
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2,CHEMBL101596,9.7
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2,CHEMBL328195,9.52
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2,CHEMBL319573,8.55
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2,CHEMBL319119,9.7
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2,CHEMBL329065,9.22
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL98541,9.52
+COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1,CHEMBL99868,9.4
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2,CHEMBL100879,9.7
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL263424,9.7
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2,CHEMBL319530,9.4
+Cc1sc(C)c2c1CCCC2c1cnc[nH]1,CHEMBL30739,6.69
+Cc1sc(C)c2c1CCC=C2c1cnc[nH]1,CHEMBL284795,7.59
+c1ncc(C2CCCc3sccc32)[nH]1,CHEMBL284213,6.76
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,6.55
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,6.32
+COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1,CHEMBL420060,6.88
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,9.1
+c1ccc2c(c1)OCC(C1=NCCN1)O2,CHEMBL10316,7.74
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,7.74
+O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21,CHEMBL70740,5.57
+CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1,CHEMBL74114,6.16
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,6.66
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,6.57
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,6.66
+CCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL70973,5.6
+CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70634,5.32
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,6.78
+CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1,CHEMBL419448,6.59
+COc1ccc(SC)c(NCC2=NCCN2)c1,CHEMBL70691,6.22
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,6.77
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,6.22
+CCCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL554416,5.58
+CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1,CHEMBL70563,5.4
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,6.7
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,6.94
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,6.84
+Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12,CHEMBL74342,4.94
+Brc1c(NC2=NCCO2)ccc2nccnc12,CHEMBL73164,4.31
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,5.85
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.55
+C1COC(N2CCOCC2)=N1,CHEMBL75201,4.78
+c1ccc2c(c1)CCCC2NC1=NCCO1,CHEMBL75030,7.92
+CCC[C@H]1CCCCC1NC1=NCCO1,CHEMBL310335,7.61
+C1CCCC(NC2=NCCO2)CC1,CHEMBL305928,7.48
+c1ccc2c(c1)CCCC2NC1=NCCCO1,CHEMBL306377,7.07
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.79
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,6.09
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,6.61
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,6.0
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,7.32
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,5.94
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,6.61
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,6.4
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,6.06
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,6.2
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,6.32
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,5.99
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,6.11
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,6.8
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,6.24
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,7.09
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,6.37
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,6.39
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,6.38
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,6.14
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,6.72
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,6.43
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,6.55
+CCC[C@H]1CCCC[C@@H]1NC1=NCCO1,CHEMBL297752,7.61
+c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL295186,7.1
+c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50720,7.49
+c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL47313,7.97
+c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL297228,7.28
+c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50719,7.18
+C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL297827,7.07
+c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL48341,6.91
+CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL296660,6.91
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,5.41
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42335,5.33
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,5.72
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,5.96
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,5.83
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL43594,5.19
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,6.5
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,5.7
+CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL316495,6.35
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC(F)(F)F)N1,CHEMBL320736,6.05
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,6.54
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,6.49
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL323579,6.69
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COC)N1,CHEMBL100045,6.29
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1,CHEMBL99864,6.45
+CCNC(=O)C1=C(CC)NC(=COCCN)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95290,6.33
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1,CHEMBL2112978,8.77
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1,CHEMBL2112981,7.82
+c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112984,8.02
+CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112970,8.35
+CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112973,8.57
+CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112975,8.01
+CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL426959,7.96
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112983,8.27
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112985,10.0
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112971,8.44
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2,CHEMBL2112974,7.64
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2,CHEMBL2112976,7.92
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2,CHEMBL2112969,8.8
+COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1,CHEMBL2112977,8.4
+C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112979,6.95
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL2112982,8.41
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112972,8.2
+COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL176002,9.7
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1,CHEMBL180470,10.0
+COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL435352,10.52
+CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL179237,9.7
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1,CHEMBL369378,9.3
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1,CHEMBL176261,10.0
+CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL176116,9.7
+COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL175853,9.7
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1,CHEMBL175911,9.52
+C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL180322,9.3
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1,CHEMBL178588,8.8
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1,CHEMBL425324,9.3
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,7.03
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,7.16
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.067
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,6.66
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,6.7
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,6.17
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,7.59
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,6.13
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.11
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,7.185
+O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21,CHEMBL371516,8.07
+O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL382310,7.72
+O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1,CHEMBL196451,9.19
+CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL196064,8.55
+O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1,CHEMBL369938,8.96
+COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL370005,8.1
+COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL193458,8.28
+NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL196344,7.49
+O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,CHEMBL195925,8.52
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,8.42
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,7.89
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,5.33
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.63
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.96
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,6.85
+CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL106525,7.55
+CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL217366,7.43
+CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2,CHEMBL217768,6.96
+Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1,CHEMBL216399,6.16
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1,CHEMBL384925,7.46
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1,CHEMBL216290,7.46
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C,CHEMBL425622,7.28
+CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1,CHEMBL425803,7.6
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C,CHEMBL267464,7.46
+CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1,CHEMBL217665,5.77
+Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL216727,7.8
+Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217568,6.87
+Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL1689423,8.08
+Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL384318,6.41
+Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL218730,6.88
+Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217452,7.06
+Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217177,8.16
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL217278,7.12
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL383978,8.08
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL262901,7.82
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL216674,7.08
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217567,8.11
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217203,8.3
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1,CHEMBL217202,8.07
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1,CHEMBL218679,8.27
+Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C,CHEMBL425983,8.64
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1,CHEMBL218457,8.3
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1,CHEMBL386169,8.07
+Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C,CHEMBL440594,7.0
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1,CHEMBL216197,7.09
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C,CHEMBL214661,7.42
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C,CHEMBL424917,7.3
+CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C,CHEMBL276417,7.37
+CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C,CHEMBL216464,8.23
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1,CHEMBL385722,6.69
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C,CHEMBL217542,8.04
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C,CHEMBL268217,8.19
+Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1,CHEMBL217254,8.05
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O,CHEMBL217253,8.31
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO,CHEMBL218675,8.42
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO,CHEMBL214996,8.12
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,8.7
+CC(Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL128168,6.7
+CC(Oc1ccccc1-c1ccccn1)C1=NCCN1,CHEMBL221989,5.9
+CC(Oc1ccccc1-c1ccccc1)C1=NCCC1,CHEMBL222593,5.23
+CC(Oc1ccccc1-c1ccccc1)C1=NCCO1,CHEMBL222591,5.23
+c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1,CHEMBL1204386,5.28
+CC(Sc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL374954,6.15
+CC(Nc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL130884,6.15
+CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1,CHEMBL223836,7.77
+CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1,CHEMBL222371,6.51
+CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL222928,6.63
+CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1,CHEMBL222138,5.91
+CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1,CHEMBL222798,6.48
+CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL374584,7.75
+CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1,CHEMBL373830,5.79
+Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1,CHEMBL426900,6.6
+Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1,CHEMBL222973,6.61
+Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1,CHEMBL223830,6.63
+CC(Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL385310,6.88
+CC(Oc1ccccc1-c1cccs1)C1=NCCN1,CHEMBL223829,7.14
+CC(Oc1ccccc1-c1ccncc1)C1=NCCN1,CHEMBL442045,5.84
+CC(Oc1ccccc1-c1cccnc1)C1=NCCN1,CHEMBL373535,7.19
+CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1,CHEMBL221523,6.52
+C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL397753,6.27
+C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL242693,6.54
+C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL396013,6.52
+C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL242265,6.01
+Cc1cccc([C@H](C)c2cnc[nH]2)c1C,CHEMBL778,7.51
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2,CHEMBL247665,8.46
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2,CHEMBL394218,9.1
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2,CHEMBL247664,8.38
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2,CHEMBL428407,8.03
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2,CHEMBL392771,8.03
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2,CHEMBL246852,7.74
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2,CHEMBL393597,7.96
+COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1,CHEMBL246639,7.72
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2,CHEMBL392992,7.7
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2,CHEMBL246229,8.02
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2,CHEMBL392991,8.1
+COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2,CHEMBL246228,7.72
+CC(Oc1ccccc1)C1=NCCN1,CHEMBL273485,6.58
+COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1,CHEMBL492648,6.61
+c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1,CHEMBL522151,6.16
+c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1,CHEMBL492445,5.9
+c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1,CHEMBL492444,5.8
+c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1,CHEMBL493272,6.08
+c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL523048,6.69
+CC(Oc1ccccc1C1CCCCC1)C1=NCCN1,CHEMBL451229,7.11
+CC(Oc1ccccc1C1CCCC1)C1=NCCN1,CHEMBL495096,7.57
+C=CCc1ccccc1OC(C)C1=NCCN1,CHEMBL495095,7.07
+CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1,CHEMBL495097,6.17
+CCO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL492639,6.47
+CO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL442815,5.51
+CC(Oc1ccccc1/C=N/O)C1=NCCN1,CHEMBL493675,6.04
+COC1(C2=NCCN2)COc2ccccc2O1,CHEMBL10332,9.1
+c1ccc(OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL494885,7.19
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL191703,7.975
+O=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL14638,7.2
+S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,CHEMBL260374,6.46
+CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C,CHEMBL451821,7.11
+COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1,CHEMBL518592,7.56
+O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL478026,8.52
+N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1,CHEMBL515331,8.91
+O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1,CHEMBL476774,7.8
+c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL491419,8.385
+c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1,CHEMBL491420,8.745
+c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL179648,7.695
+O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL524153,8.885
+O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL488974,8.04
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,6.54
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.62
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.83
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.48
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,6.84
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.81
+Cc1ccccc1C(C)OC1=NCCN1,CHEMBL570863,6.57
+CCCc1ccccc1C(C)OC1=NCCN1,CHEMBL576078,6.83
+CC(OC1=NCCN1)c1ccccc1C1CC1,CHEMBL576623,7.1
+c1ccc(C2CC2)c(OCC2=NCCN2)c1,CHEMBL13852,6.26
+Cc1ccccc1COC1=NCCN1,CHEMBL576819,6.3
+CCCc1ccccc1COC1=NCCN1,CHEMBL569933,6.31
+C=CCc1ccccc1C(C)OC1=NCCN1,CHEMBL570973,7.07
+CC(OC1=NCCN1)c1ccccc1,CHEMBL571314,6.58
+Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1,CHEMBL590615,7.7
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.74
+O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL1098724,5.39
+C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,CHEMBL226335,5.02
+CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL1085510,8.35
+Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21,CHEMBL1224527,5.96
+C[C@]12C[C@@]1(c1cnc[nH]1)Cc1ccccc12,CHEMBL1255771,8.55
+CC1(C)[C@@H]2c3ccccc3C[C@@]21c1cnc[nH]1,CHEMBL1255770,8.93
+CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255724,9.36
+CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255723,9.77
+C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1256378,9.53
+CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1255616,8.83
+CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256610,8.9
+C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256609,9.27
+CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256608,7.05
+CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256566,8.81
+CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256565,7.99
+CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1cnc[nH]1,CHEMBL1256502,7.18
+c1ccc2c(c1)C[C@]1(c3cnc[nH]3)C[C@H]21,CHEMBL1256414,9.74
+CCC1(c2cnc[nH]2)Cc2ccc(F)cc2C1,CHEMBL1255582,7.86
+CCC1(c2cnc[nH]2)Cc2ccccc2C1,CHEMBL353972,8.38
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.25
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,6.0
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,6.23
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.57
+C=CCc1ccccc1O[C@H](C)C1=NCCN1,CHEMBL1276139,6.75
+C=CCc1ccccc1O[C@@H](C)C1=NCCN1,CHEMBL1276140,7.15
+CC(Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276218,7.1
+C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276219,6.9
+C[C@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276220,7.2
+C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276247,6.5
+C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276248,6.9
+C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278084,7.5
+C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278085,6.95
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643902,5.68
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.24
+COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CHEMBL12089,6.39
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.55
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,5.45
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,7.12
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.62
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,6.2
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.24
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.55
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.34
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,5.1
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.68
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.26
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.07
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,6.58
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.23
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,7.4
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.56
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.45
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,6.79
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.99
+CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,CHEMBL50588,7.59
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,6.03
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.62
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,7.49
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.66
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.74
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.59
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,6.57
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.95
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.82
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,8.9
+Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CHEMBL12131,6.0
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.82
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.66
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.67
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.27
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,7.02
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.83
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.69
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,6.73
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.46
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.89
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,6.66
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.85
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.43
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,6.45
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,6.69
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,8.19
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,6.22
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.52
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,7.105
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.92
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.25
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.35
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,6.34
+CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,CHEMBL481,6.34
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.2
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,6.12
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,6.63
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.55
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.6
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,6.14
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.19
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.3
+Clc1ccccc1CN1CCc2sccc2C1,CHEMBL833,6.77
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,7.21
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.26
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.97
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,CHEMBL1630578,5.94
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,7.1
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,6.51
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,7.35
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.71
+CC(Oc1ccccc1Cl)C1=NCCN1,CHEMBL1956191,6.31
+CC(Oc1ccccc1Br)C1=NCCN1,CHEMBL1956192,6.55
+CC(Oc1ccccc1C(F)(F)F)C1=NCCN1,CHEMBL1956193,6.01
+CCc1ccccc1OC(C)C1=NCCN1,CHEMBL156336,6.54
+CC(Oc1ccccc1C(C)C)C1=NCCN1,CHEMBL266613,6.34
+C=C(C)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956194,6.22
+CC(Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL1956195,6.56
+CCOc1ccccc1OC(C)C1=NCCN1,CHEMBL1956196,6.12
+CC(C)Oc1ccccc1OC(C)C1=NCCN1,CHEMBL14208,6.4
+CC(Oc1ccccc1OC1CC1)C1=NCCN1,CHEMBL1956197,6.17
+COc1ccccc1OC(C)C1=NCCN1,CHEMBL1956199,6.08
+CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1,CHEMBL1956200,5.42
+CC(Oc1ccccc1C=O)C1=NCCN1,CHEMBL1956201,5.06
+CC(=O)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956202,5.13
+CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,CHEMBL17860,7.16
+Cc1cccc(C)c1OC(C)C1=NCCN1,CHEMBL155866,6.6
+CCc1cccc(CC)c1OC(C)C1=NCCN1,CHEMBL157955,6.56
+C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1,CHEMBL157206,6.89
+CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1,CHEMBL1956203,6.2
+c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1,CHEMBL1956905,5.13
+c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1,CHEMBL1956906,5.21
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,5.37
+C1CCC(CN2CCCC2)CC1,CHEMBL2030634,6.06
+Clc1ccccc1NC1=NCCC1,CHEMBL2058633,5.3
+CC1CN=C(Nc2c(Cl)cccc2Cl)N1,CHEMBL2058631,5.24
+C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089155,6.63
+C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089156,6.56
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,5.74
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205814,5.73
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.36
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,5.77
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,6.25
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.27
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.75
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.94
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,5.83
+COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205824,5.86
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.16
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.17
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,5.81
+Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12,CHEMBL2205361,6.6
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.08
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.22
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.82
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,6.76
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.17
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,5.82
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.51
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.64
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1,CHEMBL2205833,5.32
+COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432061,5.6
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432060,5.43
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,6.06
+COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432056,6.0
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,5.55
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432052,5.32
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,5.4
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,5.3
+CCCc1ccccc1OC(C)C1=NCCN1,CHEMBL2431282,6.83
+c1ccc2oc(C3=NCCN3)cc2c1,CHEMBL404505,4.57
+c1ccc(OC2CC2)c(OCC2=NCCN2)c1,CHEMBL2431280,6.1
+Brc1ccccc1OCC1=NCCN1,CHEMBL2431279,6.4
+CCCc1ccccc1OCC1=NCCN1,CHEMBL13917,6.31
+c1ccc(OCC2=NCCN2)c(CC2CC2)c1,CHEMBL2431281,6.2
+C=CCc1ccccc1OCC1=NCCN1,CHEMBL14107,7.15
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.09
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.35
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.11
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.76
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,7.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.5
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.9
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.72
+c1ccc2c(c1)cnn2NC1=NCCN1,CHEMBL1186220,6.19
+Fc1ccc2cnn(NC3=NCCN3)c2c1,CHEMBL3343699,6.22
+Fc1cccc2cnn(NC3=NCCN3)c12,CHEMBL3343700,5.92
+Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1,CHEMBL3407810,6.7
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,6.72
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1,CHEMBL3417585,5.82
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1,CHEMBL3417586,5.74
+c1ccc2c(CC3=NCCN3)cccc2c1,CHEMBL761,8.64
+COc1ccc(C2NCCCn3cccc32)cc1,CHEMBL3588912,4.86
+CN1CCN(c2ccccc2N)CC1,CHEMBL1879790,6.62
+CN1CCN(c2cccc(N)c2)CC1,CHEMBL129399,6.25
+CN1CCN(c2ccc(N)cc2)CC1,CHEMBL341473,5.82
+Cc1ccccc1Cn1ccnc1CNC(C)C,CHEMBL3588911,4.65
+O=C(CCC1CCCC1)N1CCSC12CCNCC2,CHEMBL3588910,4.81
+NCC(=O)Nc1ccccc1Oc1ccccc1,CHEMBL3588909,4.81
+OC(Cn1ccnc1)c1ccc(Cl)cc1Cl,CHEMBL1327,4.82
+COc1ccccc1OCC1CNCCO1,CHEMBL3588908,4.98
+NCCCN(C(=O)c1ccccc1)c1ccccc1,CHEMBL3588907,5.08
+CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1,CHEMBL3588906,5.14
+c1ccc(-c2ncc(CNCc3cccnc3)[nH]2)cc1,CHEMBL3588905,5.28
+Brc1cccc(Cn2ccnc2)c1,CHEMBL598391,5.93
+c1cncc(-c2ccccc2NCc2ccncc2)c1,CHEMBL3588904,5.97
+NCCSc1nc2ccccc2o1,CHEMBL2087646,6.19
+Cc1ccccc1NCc1ccncc1,CHEMBL3588903,6.27
+Oc1cc2c(cc1O)C(c1ccccc1)CNCC2,CHEMBL286080,7.08
+Cc1ccccc1NCc1cnc[nH]1,CHEMBL3588902,7.14
+N#Cc1cccc(-c2ccccc2CCN)c1,CHEMBL3590203,7.93
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608450,6.36
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.37
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,6.56
diff --git a/chembl_200/CHEMBL1942.csv b/chembl_200/CHEMBL1942.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0f6fcdbe50e4dfed70932aaaead05623d5b91506
--- /dev/null
+++ b/chembl_200/CHEMBL1942.csv
@@ -0,0 +1,428 @@
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,7.31
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,7.16
+Cc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL49137,8.05
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,6.11
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL448620,6.032
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,6.18
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL290860,6.18
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC[N-][N+]#N)N1,CHEMBL98063,6.64
+O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL555190,6.87
+O=C(NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL551711,7.73
+O=C(NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL538808,7.34
+O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL540594,6.0
+O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL539824,6.72
+O=C(NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL554019,7.73
+O=C(NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL539606,7.35
+O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL542520,5.82
+O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL543232,7.56
+O=C(NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL542527,6.78
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,5.89
+COc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL6310,6.85
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.95
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1788223,6.42
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL1788222,6.94
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,6.6
+COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL2092926,5.03
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51433,7.25
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,8.47
+CCc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL123448,7.82
+COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL123325,7.84
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL279436,6.47
+CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2,CHEMBL114166,6.85
+COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12,CHEMBL122404,6.94
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,CHEMBL3392247,5.91
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284103,6.035
+CN1CCc2c(Cl)ccc3oc(Br)c(c23)C1,CHEMBL123138,7.85
+COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL10347,8.33
+CN1CCc2cccc(Cl)c2CC1,CHEMBL123349,7.8
+COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL31410,6.34
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2,CHEMBL93171,8.12
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,7.64
+COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL422597,7.92
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2,CHEMBL93801,6.43
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,7.693
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,7.96
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2,CHEMBL90966,6.14
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2,CHEMBL90419,7.38
+COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL90247,7.8
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL93489,7.38
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2,CHEMBL327875,7.51
+C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1,CHEMBL90943,8.7
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2,CHEMBL90843,6.0
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2,CHEMBL94129,7.31
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2,CHEMBL328377,6.5
+Cc1sc(C)c2c1CCCC2c1cnc[nH]1,CHEMBL30739,6.85
+c1cc(-c2c[nH]cn2)c2ccsc2c1,CHEMBL30534,6.18
+C1=C(c2cnc[nH]2)c2ccsc2CC1,CHEMBL286246,6.21
+Cc1sc(C)c2c1CCC=C2c1cnc[nH]1,CHEMBL284795,7.0
+c1ncc(C2CCCc3sccc32)[nH]1,CHEMBL284213,7.0
+C1=C(c2cnc[nH]2)c2sccc2CC1,CHEMBL30955,6.03
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,6.28
+COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1,CHEMBL420060,6.39
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,7.55
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,5.4
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,5.79
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,6.07
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,5.63
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,6.17
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,5.78
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,6.01
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,6.48
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,6.11
+CC1CN=C(Nc2ccc3nccnc3c2Br)N1,CHEMBL72995,5.49
+Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12,CHEMBL74342,4.74
+Brc1c(NC2=NCCO2)ccc2nccnc12,CHEMBL73164,4.07
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,6.66
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.76
+Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1,CHEMBL72147,6.49
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,7.37
+C1COC(NC(C2CC2)C2CC2)=N1,CHEMBL289480,7.26
+C1COC(N2CCOCC2)=N1,CHEMBL75201,4.93
+c1ccc2c(c1)CCCC2NC1=NCCO1,CHEMBL75030,8.67
+CCC[C@H]1CCCCC1NC1=NCCO1,CHEMBL310335,8.23
+C1CCCC(NC2=NCCO2)CC1,CHEMBL305928,8.01
+c1ccc2c(c1)CCCC2NC1=NCCCO1,CHEMBL306377,7.6
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,5.74
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,6.31
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,5.64
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,7.04
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,5.82
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,6.29
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,6.24
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,5.9
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,6.05
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,6.08
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,6.24
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,6.7
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,5.9
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,6.06
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,6.66
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,6.42
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,6.42
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,6.04
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,6.69
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,6.59
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,6.36
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,6.43
+c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL295186,7.39
+c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50720,7.49
+c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL47313,8.16
+CCC[C@H]1CCCC[C@@H]1NC1=NCCO1,CHEMBL297752,8.23
+c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL297228,7.65
+c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1,CHEMBL50719,7.39
+C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL297827,6.99
+c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1,CHEMBL48341,6.85
+CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1,CHEMBL296660,7.04
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,6.54
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42335,6.17
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,6.02
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,6.11
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,6.84
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL43594,5.75
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,6.79
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,6.27
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,5.6
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,5.5
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.6
+CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL316495,6.29
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC(F)(F)F)N1,CHEMBL320736,6.12
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,5.95
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,6.38
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL323579,6.04
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COC)N1,CHEMBL100045,6.54
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1,CHEMBL99864,6.63
+CCNC(=O)C1=C(CC)NC(=COCCN)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95290,5.59
+O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1,CHEMBL196451,5.89
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,8.14
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,7.74
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,6.5
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,5.575
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,6.29
+CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL106525,5.82
+CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1,CHEMBL217366,5.92
+CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2,CHEMBL217768,5.53
+Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1,CHEMBL216399,5.43
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1,CHEMBL384925,7.02
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C,CHEMBL425622,5.41
+CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1,CHEMBL217665,5.42
+Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL216727,5.46
+Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217568,5.95
+Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL1689423,6.06
+Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL384318,5.44
+Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL218730,6.04
+Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217452,5.69
+Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C,CHEMBL217177,5.96
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL217278,5.59
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1,CHEMBL383978,5.94
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1,CHEMBL262901,5.89
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL216674,5.88
+Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217567,6.22
+Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C,CHEMBL217203,6.24
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1,CHEMBL217202,5.46
+Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1,CHEMBL218679,5.9
+Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C,CHEMBL425983,5.88
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1,CHEMBL218457,5.77
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1,CHEMBL386169,5.59
+Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C,CHEMBL440594,5.77
+CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1,CHEMBL216197,5.54
+Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C,CHEMBL216072,5.6
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C,CHEMBL214661,5.5
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C,CHEMBL424917,5.76
+CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C,CHEMBL216464,6.38
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1,CHEMBL385722,4.75
+C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C,CHEMBL217542,5.59
+CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C,CHEMBL268217,5.72
+Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1,CHEMBL217254,5.74
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O,CHEMBL217253,5.29
+Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO,CHEMBL218675,5.83
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,8.0
+CC(Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL128168,6.3
+CC(Oc1ccccc1-c1ccccn1)C1=NCCN1,CHEMBL221989,5.48
+CC(Oc1ccccc1-c1ccccc1)C1=NCCC1,CHEMBL222593,5.0
+CC(Oc1ccccc1-c1ccccc1)C1=NCCO1,CHEMBL222591,5.0
+CC(Sc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL374954,5.45
+CC(Nc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL130884,5.94
+CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1,CHEMBL223836,6.57
+CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1,CHEMBL222371,6.32
+CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1,CHEMBL221523,6.3
+CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL222928,6.18
+CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1,CHEMBL222138,5.81
+CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1,CHEMBL222798,6.09
+CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL374584,6.45
+CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1,CHEMBL373830,6.0
+Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1,CHEMBL426900,6.4
+Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1,CHEMBL222973,6.27
+Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1,CHEMBL223830,6.08
+CC(Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL385310,6.38
+CC(Oc1ccccc1-c1cccs1)C1=NCCN1,CHEMBL223829,6.67
+CC(Oc1ccccc1-c1ccncc1)C1=NCCN1,CHEMBL442045,5.57
+CC(Oc1ccccc1-c1cccnc1)C1=NCCN1,CHEMBL373535,6.03
+C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL397753,5.8
+C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1,CHEMBL242693,6.13
+C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL396013,6.23
+C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1,CHEMBL242265,5.9
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2,CHEMBL247665,5.87
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2,CHEMBL394218,6.07
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2,CHEMBL247664,5.81
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2,CHEMBL428407,5.68
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2,CHEMBL392771,6.23
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2,CHEMBL246852,6.02
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2,CHEMBL393597,6.52
+COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1,CHEMBL246639,6.09
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2,CHEMBL392992,6.12
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2,CHEMBL246229,6.48
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2,CHEMBL392991,6.8
+COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2,CHEMBL246228,6.43
+CC(Oc1ccccc1)C1=NCCN1,CHEMBL273485,6.78
+COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1,CHEMBL492648,5.97
+c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1,CHEMBL522151,6.32
+c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1,CHEMBL492445,6.0
+c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1,CHEMBL492444,5.78
+c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1,CHEMBL493272,5.97
+c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL523048,6.02
+CC(Oc1ccccc1C1CCCCC1)C1=NCCN1,CHEMBL451229,6.72
+CC(Oc1ccccc1C1CCCC1)C1=NCCN1,CHEMBL495096,6.72
+C=CCc1ccccc1OC(C)C1=NCCN1,CHEMBL495095,6.47
+CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1,CHEMBL495097,6.06
+CCO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL492639,6.35
+CO/N=C/c1ccccc1OC(C)C1=NCCN1,CHEMBL442815,5.92
+CC(Oc1ccccc1/C=N/O)C1=NCCN1,CHEMBL493675,6.15
+COC1(C2=NCCN2)COc2ccccc2O1,CHEMBL10332,8.79
+c1ccc(OC(C2=NCCN2)c2ccccc2)cc1,CHEMBL494885,7.32
+O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL477816,7.095
+O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL478026,8.1
+N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1,CHEMBL515331,7.5
+CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1,CHEMBL514837,7.93
+CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1,CHEMBL476569,7.905
+O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1,CHEMBL476774,7.75
+c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL491419,7.02
+c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1,CHEMBL491420,8.05
+c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL179648,6.94
+O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1,CHEMBL524153,7.67
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.15
+Cc1ccccc1C(C)OC1=NCCN1,CHEMBL570863,6.57
+CCCc1ccccc1C(C)OC1=NCCN1,CHEMBL576078,6.27
+CC(OC1=NCCN1)c1ccccc1C1CC1,CHEMBL576623,6.51
+c1ccc(C2CC2)c(OCC2=NCCN2)c1,CHEMBL13852,6.28
+Cc1ccccc1COC1=NCCN1,CHEMBL576819,6.4
+CCCc1ccccc1COC1=NCCN1,CHEMBL569933,6.26
+CC(OC1=NCCN1)c1ccccc1,CHEMBL571314,6.78
+C=CCc1ccccc1C(C)OC1=NCCN1,CHEMBL570973,6.47
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.6
+Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21,CHEMBL1224527,5.19
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,6.08
+C[C@]12C[C@@]1(c1cnc[nH]1)Cc1ccccc12,CHEMBL1255771,9.04
+CC1(C)[C@@H]2c3ccccc3C[C@@]21c1cnc[nH]1,CHEMBL1255770,8.94
+CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255724,9.46
+CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255723,9.74
+C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1256378,9.69
+CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1255616,8.64
+CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256610,8.79
+C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256609,9.16
+CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256608,7.93
+CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256566,8.19
+CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256565,8.01
+CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1cnc[nH]1,CHEMBL1256502,7.62
+c1ccc2c(c1)C[C@]1(c3cnc[nH]3)C[C@H]21,CHEMBL1256414,9.82
+CCC1(c2cnc[nH]2)Cc2ccc(F)cc2C1,CHEMBL1255582,8.17
+CCC1(c2cnc[nH]2)Cc2ccccc2C1,CHEMBL353972,8.65
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.17
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,6.11
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,8.12
+C=CCc1ccccc1O[C@H](C)C1=NCCN1,CHEMBL1276139,6.25
+C=CCc1ccccc1O[C@@H](C)C1=NCCN1,CHEMBL1276140,6.4
+CC(Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276218,6.51
+C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276219,6.25
+C[C@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276220,6.58
+C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276247,6.15
+C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1,CHEMBL1276248,6.35
+C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278084,6.5
+C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1,CHEMBL1278085,6.0
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.9
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.57
+COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CHEMBL12089,6.56
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.53
+CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,CHEMBL1016,5.76
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,7.8
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,7.13
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,6.25
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.52
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.76
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.59
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.24
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.23
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,7.92
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.43
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.6
+CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,CHEMBL1902981,5.86
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.47
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.24
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.57
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.4
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,7.17
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,6.94
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.86
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.06
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.16
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,5.04
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,6.88
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.89
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.76
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,7.0
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,6.21
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,6.28
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.22
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.28
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.49
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,8.44
+Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CHEMBL12131,6.09
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,6.16
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.75
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.83
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.43
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,6.01
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.87
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.27
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.14
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.92
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,5.99
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.01
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.34
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.77
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,4.98
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.68
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.37
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,6.09
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,6.85
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,8.07
+COc1ccccc1N,CHEMBL1612004,5.94
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.62
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,7.54
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,6.86
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,9.1
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.78
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.37
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,8.32
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.08
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.06
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.88
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.62
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.78
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL1276308,4.92
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.63
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,7.92
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.82
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,6.06
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,6.68
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,5.08
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.74
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,5.66
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,CHEMBL547,5.52
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.49
+O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,CHEMBL119385,4.84
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.75
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,6.76
+C#CCN(C)[C@H](C)Cc1ccccc1,CHEMBL972,6.76
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.79
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.79
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,7.08
+Clc1ccccc1CN1CCc2sccc2C1,CHEMBL833,6.86
+CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,CHEMBL1419,5.96
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.9
+COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,CHEMBL1219,6.1
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.77
+Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,CHEMBL1076211,6.34
+CC(Oc1ccccc1Cl)C1=NCCN1,CHEMBL1956191,6.48
+CC(Oc1ccccc1Br)C1=NCCN1,CHEMBL1956192,6.45
+CC(Oc1ccccc1C(F)(F)F)C1=NCCN1,CHEMBL1956193,5.79
+CCc1ccccc1OC(C)C1=NCCN1,CHEMBL156336,6.55
+CC(Oc1ccccc1C(C)C)C1=NCCN1,CHEMBL266613,6.03
+C=C(C)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956194,6.06
+CC(Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL1956195,6.39
+CCOc1ccccc1OC(C)C1=NCCN1,CHEMBL1956196,5.88
+CC(C)Oc1ccccc1OC(C)C1=NCCN1,CHEMBL14208,5.8
+CC(Oc1ccccc1OC1CC1)C1=NCCN1,CHEMBL1956197,5.98
+COc1ccccc1OC(C)C1=NCCN1,CHEMBL1956199,6.06
+CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1,CHEMBL1956200,4.29
+CC(Oc1ccccc1C=O)C1=NCCN1,CHEMBL1956201,5.68
+CC(=O)c1ccccc1OC(C)C1=NCCN1,CHEMBL1956202,5.21
+CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,CHEMBL17860,7.17
+Cc1cccc(C)c1OC(C)C1=NCCN1,CHEMBL155866,6.74
+CCc1cccc(CC)c1OC(C)C1=NCCN1,CHEMBL157955,6.57
+C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1,CHEMBL157206,6.56
+CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1,CHEMBL1956203,5.34
+c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1,CHEMBL1956905,5.55
+c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1,CHEMBL1956906,5.35
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,5.37
+CC1CN=C(Nc2c(Cl)cccc2Cl)N1,CHEMBL2058631,5.88
+CC1COC(NC(C2CC2)C2CC2)=N1,CHEMBL2058632,5.55
+Clc1ccccc1NC1=NCCC1,CHEMBL2058633,6.03
+CC1CCC(Nc2ccc(I)cc2Cl)=N1,CHEMBL2058635,5.38
+C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089155,6.47
+C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089156,6.39
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.1
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,6.62
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.25
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.0
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,5.6
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.49
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,6.18
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,5.89
+CCCc1ccccc1OC(C)C1=NCCN1,CHEMBL2431282,6.27
+c1ccc2oc(C3=NCCN3)cc2c1,CHEMBL404505,4.57
+c1ccc(OC2CC2)c(OCC2=NCCN2)c1,CHEMBL2431280,6.1
+Brc1ccccc1OCC1=NCCN1,CHEMBL2431279,6.21
+CCCc1ccccc1OCC1=NCCN1,CHEMBL13917,6.26
+c1ccc(OCC2=NCCN2)c(CC2CC2)c1,CHEMBL2431281,6.3
+C=CCc1ccccc1OCC1=NCCN1,CHEMBL14107,6.15
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.61
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,5.36
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,5.66
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.38
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,6.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.7
+c1ccc2c(c1)cnn2NC1=NCCN1,CHEMBL1186220,7.1
+Fc1ccc2cnn(NC3=NCCN3)c2c1,CHEMBL3343699,7.14
+Fc1cccc2cnn(NC3=NCCN3)c12,CHEMBL3343700,6.8
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608450,5.49
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,7.54
diff --git a/chembl_200/CHEMBL1945.csv b/chembl_200/CHEMBL1945.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e8282c20604cb09f7dea611961af92d5d74557fe
--- /dev/null
+++ b/chembl_200/CHEMBL1945.csv
@@ -0,0 +1,695 @@
+CCCC(=O)NCC1CCc2cccc3cccc1c23,CHEMBL338425,8.89
+CCC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL133001,8.58
+CC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL337295,8.19
+COc1ccc2ccc(OC)c3c2c1CCC3CNC(C)=O,CHEMBL336509,10.82
+COc1ccc2cccc3c2c1C(CCNC(C)=O)CC3,CHEMBL132340,10.0
+CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23,CHEMBL130542,10.0
+COc1ccc2cccc3c2c1C(CNC(C)=O)CC3,CHEMBL132802,11.0
+COc1ccc2cccc3c2c1CCC3CNC(=O)C1CC1,CHEMBL130876,9.02
+CCCC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL133426,8.19
+CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL337024,10.15
+CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL340832,10.8
+CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL336054,10.92
+COc1ccc2cccc3c2c1CCC3CCNC(C)=O,CHEMBL130286,8.05
+COc1ccc2cccc3c2c1C(CCNC(C)=O)C3,CHEMBL130203,9.39
+CCC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL336333,8.36
+O=C(NCCC1Cc2cccc3cccc1c23)C1CC1,CHEMBL131431,8.19
+COc1ccc2cccc3c2c1CCC3CCNC(=O)C1CC1,CHEMBL336633,8.72
+CC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL131602,8.37
+COc1ccc2cccc3c2c1CCC3CNC(C)=O,CHEMBL336647,9.1
+COc1ccc2cccc3c2c1C(CNC(C)=O)C3,CHEMBL130490,9.92
+CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23,CHEMBL336858,9.66
+CCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23,CHEMBL434226,9.43
+CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23,CHEMBL129889,9.72
+COc1ccc2ccc(OC)c3c2c1CCC3CNC(=O)C1CC1,CHEMBL133416,10.59
+COc1ccc2cccc3c2c1C(CCNC(=O)C1CC1)C3,CHEMBL130813,8.0
+CC(=O)NCC1CCc2cccc3cccc1c23,CHEMBL130319,8.92
+COc1ccc2ccc(OC)c3c2c1CCC3CCNC(C)=O,CHEMBL130898,9.7
+O=C(NCC1Cc2cccc3cccc1c23)C1CC1,CHEMBL341439,8.97
+CCCC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL337882,9.1
+COc1ccc2ccc(OC)c3c2c1CCC3CCNC(=O)C1CC1,CHEMBL131575,9.18
+COc1ccc2cccc(CCNC(C)=O)c2c1,CHEMBL10878,10.02
+CCC(=O)NCCC1CCc2c(OC)ccc3cccc1c23,CHEMBL340745,8.68
+CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL129890,10.24
+COc1ccc2cccc3c2c1C(CNC(=O)C1CC1)C3,CHEMBL334962,8.88
+CCCc1nc2cccc(CCCNC(=O)NCC)c2o1,CHEMBL127565,6.31
+CC(C)C(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL123612,7.06
+CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL330969,9.12
+CCCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL125705,8.48
+O=C(NCCCc1cccc2nc(-c3ccccc3)oc12)C1CC1,CHEMBL445840,7.64
+CC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL339265,8.89
+CCC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL124577,8.55
+CCCC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124422,8.09
+CCNC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124217,7.12
+CC(C)C(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL435586,8.89
+CCCC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL338659,8.64
+CCCc1nc2cccc(CCCNC(=O)CC)c2o1,CHEMBL124783,7.29
+CCc1nc2cccc(CCCNC(C)=O)c2o1,CHEMBL125665,8.05
+CCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL125033,7.88
+CCNC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123972,6.71
+CC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL126005,7.4
+CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL331636,7.22
+Cc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL127596,8.52
+CCCC(=O)NCCCc1cccc2nc(CCC)oc12,CHEMBL124782,6.78
+CCCC(=O)NCCCc1cccc2ncoc12,CHEMBL124914,8.0
+CC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL333810,7.62
+CCCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL339784,7.22
+CC(=O)NCCCc1cccc2ncoc12,CHEMBL124488,7.52
+CCCc1nc2cccc(CCCNC(C)=O)c2o1,CHEMBL124216,6.74
+CCC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123634,6.85
+CC(C)c1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL331317,7.47
+Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL127570,9.15
+CCc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL262890,7.88
+CCNC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL127576,6.47
+CCCC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL124445,6.92
+CCC(=O)NCCCc1cccc2ncoc12,CHEMBL124476,8.18
+CC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123690,6.94
+CC(C)C(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123973,7.4
+CCCc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL123899,7.36
+CCNC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL125226,7.3
+CCc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL125642,8.35
+CCC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124362,8.46
+O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1,CHEMBL334079,9.2
+CCCC(=O)Nc1ccc(N(C)c2cccc3c2CCO3)cc1,CHEMBL7807,7.44
+CCCC(=O)Nc1ccc(Cc2cccc3c2CCO3)cc1,CHEMBL8169,7.39
+CCC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL7832,9.0
+CCCC(=O)Nc1ccc(Oc2cccc3c2CCO3)cc1,CHEMBL7700,7.74
+CCOC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL7556,7.47
+COc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7713,7.21
+CCCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7650,7.2
+CCCC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL266549,8.96
+CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1,CHEMBL7875,7.04
+CCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7599,7.2
+COc1cccc(Oc2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7673,7.0
+COc1cccc(N(C)c2ccc(NC(C)=O)cc2)c1,CHEMBL8168,10.3
+COc1cccc(N(C)c2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7567,7.92
+CCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1,CHEMBL7771,7.54
+COc1cccc(Nc2ccc(NC(C)=O)cc2)c1,CHEMBL268165,7.08
+CCCC(=O)Nc1ccc(Cc2cccc(OC)c2)cc1,CHEMBL7867,7.96
+CCCC(=O)Nc1ccc(Oc2cccc3c2OCCO3)cc1,CHEMBL8032,7.04
+CCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL266970,6.52
+COCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7659,6.74
+CCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1,CHEMBL7215,7.21
+C/C=C/C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7559,7.01
+COc1cccc(Oc2ccc(NC(C)=O)cc2)c1,CHEMBL8094,7.08
+CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1,CHEMBL7229,7.51
+COc1cccc(N(C)c2ccc(NC(=O)C(C)C)cc2)c1,CHEMBL7990,6.97
+COc1ccc2c(c(CCNC(C)=O)c(I)n2C)c1[N+](=O)[O-],CHEMBL300728,5.73
+COc1cc2c(CCNC(C)=O)c(I)n(C)c2cc1[N+](=O)[O-],CHEMBL55084,8.96
+COc1cc([N+](=O)[O-])c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL300729,7.31
+COc1ccc2c(c1)c(CCNC(C)=O)c(I)n2C,CHEMBL300056,10.1
+COc1ccc2c(c(CCNC(C)=O)cn2C)c1[N+](=O)[O-],CHEMBL53622,5.07
+COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+](=O)[O-],CHEMBL52755,9.52
+COc1cc2c(CCNC(C)=O)c[nH]c2cc1[N+](=O)[O-],CHEMBL298335,7.84
+COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+](=O)[O-],CHEMBL300195,5.97
+COc1ccc2c(c1)c(CCNC(C)=O)cn2C,CHEMBL33700,8.62
+COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+](=O)[O-],CHEMBL52559,7.72
+COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1,CHEMBL33549,7.435
+CCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL94919,7.37
+CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1,CHEMBL96778,6.54
+COc1cccc(Cc2oc3ccccc3c2CCNC(C)=O)c1,CHEMBL445117,6.64
+C/C=C/C(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL96104,9.0
+COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1,CHEMBL329960,7.84
+COc1ccc2oc(Cc3c(Cl)cccc3Cl)c(CCNC(C)=O)c2c1,CHEMBL96562,7.07
+CCc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL96333,7.19
+C=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL330137,11.0
+C=CCC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12,CHEMBL329086,7.67
+CC(=O)NCCc1c(Cc2ccccc2)oc2ccccc12,CHEMBL440144,6.81
+CC(=O)NCCc1c(Cc2ccccc2)oc2ccc(O)cc12,CHEMBL91813,6.24
+CCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL315653,8.09
+COc1ccc2occ(CCNC(C)=O)c2c1,CHEMBL323332,9.82
+C=CC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12,CHEMBL96916,7.26
+COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1,CHEMBL95166,9.12
+COc1ccc2oc(CC3CCCCC3)c(CCNC(C)=O)c2c1,CHEMBL329299,7.18
+COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1,CHEMBL328617,8.06
+COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL287560,11.0
+COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1,CHEMBL94607,8.14
+C=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL314512,10.7
+C=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL97186,8.45
+COc1ccc2oc(Cc3cccc(C(F)(F)F)c3)c(CCNC(C)=O)c2c1,CHEMBL314947,7.1
+COc1ccc2oc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(CCNC(C)=O)c2c1,CHEMBL327864,6.32
+COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)c3ccco3)c2c1,CHEMBL96173,6.16
+CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL94301,8.27
+CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL96859,8.48
+COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1,CHEMBL317742,7.62
+C=CC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL96548,7.27
+COc1ccc2oc(CCCc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL98074,7.5
+COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL329263,8.9
+COc1cccc2c1cc(CCNC(C)=O)n2-c1ccccc1,CHEMBL329979,7.06
+COc1cccc2[nH]c(CNC(C)=O)cc12,CHEMBL99534,5.91
+COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1,CHEMBL98028,6.62
+COc1cccc2[nH]c(CCNC(C)=O)cc12,CHEMBL418789,6.2
+CCC(=O)NCCc1[nH]c2cccc(OC)c2c1Br,CHEMBL99502,7.3
+COc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1,CHEMBL98520,5.5
+CCC(=O)NCc1cc2c(OC)cccc2[nH]1,CHEMBL34728,6.39
+CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1,CHEMBL33346,6.2
+COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1,CHEMBL99512,5.4
+CC(=O)NCCc1cc2ccccc2[nH]1,CHEMBL99083,5.61
+CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1,CHEMBL33185,5.89
+COc1cccc2cc(CCNC(C)=O)[nH]c12,CHEMBL316952,5.42
+CCC(=O)NCc1[nH]c2cc(OC)ccc2c1Br,CHEMBL98956,6.56
+COc1cccc2c1cc(CCNC(=O)C1CC1)n2-c1ccccc1,CHEMBL318871,6.48
+CCC(=O)NCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL287343,6.65
+COc1ccc2cc(CCNC(C)=O)[nH]c2c1,CHEMBL99091,5.07
+COc1ccc2cc(CCNC(C)=O)n(C)c2c1,CHEMBL98484,5.74
+COc1ccc2[nH]c(CCCNC(C)=O)cc2c1,CHEMBL99000,5.53
+CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL100104,7.2
+COc1ccc2[nH]c(CCNC(C)=O)cc2c1,CHEMBL319970,4.79
+COc1cccc2c1cc(CCNC(=O)C1CCC1)n2-c1ccccc1,CHEMBL99987,6.16
+CCC(=O)NCCc1cc2c(OC)cccc2[nH]1,CHEMBL99084,6.87
+CCC(=O)NCc1cc2ccc(OC)cc2n1Cc1ccccc1,CHEMBL97885,5.89
+CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1,CHEMBL99002,6.08
+COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12,CHEMBL34729,6.28
+CCC(=O)NCCCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL99001,6.51
+CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14136,10.3
+CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14417,10.52
+CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL273787,10.3
+CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL13985,10.1
+CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14514,8.69
+COc1ccc2nccc(CCNC(C)=O)c2c1,CHEMBL69521,8.23
+CCCC(=O)NCCc1ccnc2ccc(OC)cc12,CHEMBL68864,8.66
+CCC(=O)NCCc1ccnc2ccc(OC)cc12,CHEMBL306468,8.16
+CNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL94838,10.4
+COc1ccc2oc(-c3ccccc3)c(CCNC(=O)c3ccco3)c2c1,CHEMBL96420,7.89
+COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1,CHEMBL94745,7.54
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2,CHEMBL19026,10.3
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1,CHEMBL276921,9.66
+CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,CHEMBL431103,9.7
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12,CHEMBL2112722,10.3
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCC)N2,CHEMBL19211,9.03
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL19441,8.89
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL2112700,10.3
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)NCC)c2O1,CHEMBL19109,8.46
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL2112690,10.3
+CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1,CHEMBL18960,9.46
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12,CHEMBL2112727,10.3
+CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1,CHEMBL2112724,10.3
+CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1,CHEMBL18846,9.22
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CC)N2,CHEMBL19260,8.51
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1,CHEMBL19128,9.02
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL428692,8.31
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2,CHEMBL18845,9.89
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1,CHEMBL279343,9.74
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL278922,8.29
+O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1,CHEMBL2112734,10.3
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,CHEMBL19050,8.31
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL553105,8.74
+CNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL19237,7.93
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2,CHEMBL10099,8.39
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2,CHEMBL10009,8.35
+CCCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL9815,7.1
+O=C(NCCc1c2n(c3ccccc13)Cc1ccccc1-2)C1CC1,CHEMBL10043,6.11
+CCOc1ccc2c(c1)c(CCNC(=O)CC)c1n2CCCc2ccccc2-1,CHEMBL276005,6.57
+CCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL9838,6.94
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1,CHEMBL274842,8.14
+O=C(NCCc1c2n(c3ccccc13)CCc1ccccc1-2)C1CCC1,CHEMBL9950,5.69
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2,CHEMBL9997,8.23
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2,CHEMBL10293,7.28
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2,CHEMBL274438,7.18
+CCOc1ccc2c(c1)c(CCNC(=O)CC)c1n2Cc2ccccc2-1,CHEMBL9630,7.84
+CC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL273623,6.62
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCCc2ccccc2-1,CHEMBL275529,6.56
+COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2CCCc2ccccc2-1,CHEMBL10124,6.3
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2,CHEMBL274317,8.36
+CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1,CHEMBL274896,7.74
+CCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL273897,6.83
+O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CCC1,CHEMBL269670,6.6
+CCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL269175,6.69
+CCCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL10328,6.76
+O=C(NCCc1c2n(c3ccccc13)Cc1ccccc1-2)C1CCC1,CHEMBL9934,5.92
+CC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL9634,6.41
+COc1ccc2c(c1)c(CCNC(=O)C1CCC1)c1n2CCCc2ccccc2-1,CHEMBL9917,6.12
+CCOc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2CCCc2ccccc2-1,CHEMBL9935,5.53
+CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2CCCc2ccccc2-1,CHEMBL274995,6.29
+CC(=O)NCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2,CHEMBL273624,6.55
+COc1ccc2c(c1)c(CCNC(=O)C1CCC1)c1n2CCc2ccccc2-1,CHEMBL276490,6.36
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1,CHEMBL9772,8.74
+CCOc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1,CHEMBL9600,6.63
+CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)CCCc1ccccc1-2,CHEMBL10007,6.59
+COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1,CHEMBL10110,7.33
+CC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL9765,6.71
+O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CC1,CHEMBL9791,6.93
+CCCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL9605,7.15
+CC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2,CHEMBL274630,6.54
+CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2,CHEMBL9590,8.05
+CCCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136895,7.75
+CC(C)C(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL336024,6.89
+CCCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL341705,7.17
+CNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138012,9.05
+O=C(NC1CC1)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL435023,8.18
+O=C(N[C@H]1CCN(c2cccc3c2CCO3)C1)C1CC1,CHEMBL139439,8.92
+CNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL344449,8.66
+O=C(NC1CC1)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136894,7.68
+CCCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136531,9.85
+O=C(N[C@@H]1CCN(c2cccc3c2CCO3)C1)C1CC1,CHEMBL138228,8.41
+CCCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL342393,8.36
+CCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136431,8.15
+CCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL343825,9.74
+CCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136564,9.19
+CC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136273,6.69
+CCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138848,7.31
+CCCC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1,CHEMBL139497,8.43
+CC(C)C(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138744,8.22
+CC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL336268,8.82
+NCCc1ccc(O)c(O)c1,CHEMBL59,5.15
+CCC(=O)NCCc1c(OCCI)ccc2ccc(OC)cc12,CHEMBL79224,7.0
+CCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL311106,8.09
+CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12,CHEMBL440692,8.66
+CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12,CHEMBL291857,10.0
+CCC(=O)NCCc1c(OCCN(C)C)ccc2ccc(OC)cc12,CHEMBL80792,7.38
+CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL80736,9.41
+CCC(=O)NCCc1c(OCC[N+](C)(C)C)ccc2ccc(OC)cc12,CHEMBL78338,7.03
+CCC(=O)NCCc1c(OCCO)ccc2ccc(OC)cc12,CHEMBL78751,8.37
+CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL82135,8.11
+CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12,CHEMBL131919,7.96
+CCC(=O)NCCc1c(OC(=O)CBr)ccc2ccc(OC)cc12,CHEMBL134416,8.89
+COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1ccccc1,CHEMBL34327,6.85
+COc1cnc2[nH]cc(CCNC(C)=O)c2c1,CHEMBL137969,7.4
+COc1ccc2c(c1)c(CCNC(C)=O)cn2-c1ccccc1,CHEMBL33869,6.74
+O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C1CCC1,CHEMBL14701,6.7
+CCCCC(=O)n1c(OC)cc2c1=C(CN)C1CCCCC(C)C1C=2,CHEMBL123119,6.31
+CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,CHEMBL1218,10.86
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL359921,9.0
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL367797,9.0
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL367604,8.7
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL361854,8.22
+O=C(NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2)C1CC1,CHEMBL361410,9.0
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL361206,8.05
+CCNC(=O)NC[C@@H]1C[C@H]1c1c(Cl)ccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181457,7.22
+CC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL362849,8.4
+CCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL178678,9.0
+CCCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL368886,8.7
+CC(C)C(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181687,8.4
+O=C(NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2)C1CC1,CHEMBL181974,8.7
+CCNC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181192,8.05
+CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL186586,8.59
+CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL186736,8.68
+CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL363947,8.0
+CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL184562,7.64
+O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1,CHEMBL360428,7.8
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL362097,7.48
+CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL365852,7.72
+CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL363936,8.12
+CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL184990,7.8
+CC(C)C(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL187186,8.43
+O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1,CHEMBL183846,8.22
+CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL183962,7.68
+CC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL188016,7.66
+CCC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL186977,8.62
+CCCC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL184144,7.96
+CC(C)C(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL184762,6.98
+O=C(N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1)C1CC1,CHEMBL363441,7.38
+CCNC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL359561,7.41
+CC(=O)NCC1Cc2ccccc2Cc2ccccc21,CHEMBL363321,6.62
+CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc21,CHEMBL189414,8.86
+CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc21,CHEMBL189395,8.89
+CC(=O)NCC1=Cc2ccccc2Cc2ccccc21,CHEMBL365249,6.26
+COc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2=O,CHEMBL427516,8.52
+CC(=O)NCCC1Cc2ccccc2Cc2ccccc21,CHEMBL364835,6.41
+COc1ccc2c(c1)C(CCNC(C)=O)Cc1ccccc1C2,CHEMBL187160,6.79
+CCC(=O)NCCN1c2ccccc2CCc2ccccc21,CHEMBL360600,6.26
+CC(=O)NCCN1c2ccccc2C=Cc2ccccc21,CHEMBL362133,6.95
+CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc21,CHEMBL364806,7.24
+CC(=O)NCC(=O)N1c2ccccc2C=Cc2ccccc21,CHEMBL364845,4.69
+Cn1cc(C2(CNC(=O)C3CC3)CCC2)c2cc(O)ccc21,CHEMBL208802,6.21
+CCCC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL379096,6.14
+CCC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL426861,5.82
+CC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL379504,5.66
+COc1ccc2[nH]cc(C3(CNC(=O)C4CCC4)CCC3)c2c1,CHEMBL377809,6.31
+COc1ccc2[nH]cc(C3(CNC(=O)C4CC4)CCC3)c2c1,CHEMBL206790,7.24
+CCCC(=O)NCC1(c2c[nH]c3ccc(OC)cc23)CCC1,CHEMBL207676,6.94
+CCC(=O)NCC1(c2c[nH]c3ccc(OC)cc23)CCC1,CHEMBL207420,7.18
+COc1ccc2[nH]cc(C3(CNC(C)=O)CCC3)c2c1,CHEMBL207960,8.09
+COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCCC1)cn2C,CHEMBL207959,6.32
+COc1ccc2c(c1)c(C1(CNC(=O)C3CC3)CCCC1)cn2C,CHEMBL206471,6.33
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1,CHEMBL206419,6.23
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1,CHEMBL382555,6.52
+COc1ccc2c(c1)c(C1(CNC(C)=O)CCCC1)cn2C,CHEMBL379403,6.83
+COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCC1)cn2C,CHEMBL382050,6.15
+COc1ccc2c(c1)c(C1(CNC(=O)C3CC3)CCC1)cn2C,CHEMBL382579,6.51
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1,CHEMBL207625,7.97
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1,CHEMBL424693,7.47
+COc1ccc2c(c1)c(C1(CNC(C)=O)CCC1)cn2C,CHEMBL379413,6.32
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1,CHEMBL209712,6.67
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1,CHEMBL377871,7.07
+COc1ccc2c(c1)c(C1(CNC(C)=O)CC1)cn2C,CHEMBL209711,6.75
+COc1ccc2c(c1)c(C(C)(C)CNC(=O)C1CCC1)cn2C,CHEMBL382439,6.77
+CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12,CHEMBL207745,8.07
+CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12,CHEMBL426127,8.22
+COc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C,CHEMBL208307,7.94
+CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12,CHEMBL377101,8.37
+CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12,CHEMBL379616,8.31
+COc1ccc2[nH]cc(C(C)(C)CNC(C)=O)c2c1,CHEMBL206472,8.95
+COc1ccc2[nH]cc(C(C)CNC(C)=O)c2c1,CHEMBL210147,8.78
+CCCC(=O)NCCC(c1ccccc1)c1cccc(OC)c1,CHEMBL374075,6.26
+CCC(=O)NCCC(c1ccccc1)c1cccc(OC)c1,CHEMBL218774,6.44
+COc1cccc(C(CCNC(C)=O)c2ccccc2)c1,CHEMBL218773,5.66
+CC(=O)NCCC(c1ccccc1)c1ccccc1,CHEMBL219177,5.38
+COc1cccc(C(=CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL218225,7.23
+COc1cccc(/C(=C/CNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL218065,7.03
+COc1cccc(/C(=C\CNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL218709,6.59
+COc1cccc(/C(=C\CNC(C)=O)c2ccccc2)c1,CHEMBL425644,6.64
+O=C(NCC=C(c1ccccc1)c1ccccc1)C1CCC1,CHEMBL426168,6.04
+CC(=O)NCC=C(c1ccccc1)c1ccccc1,CHEMBL219076,6.29
+COc1ccc(Cc2ccccc2)c(CCNC(C)=O)c1,CHEMBL216158,7.16
+CCC(=O)NCCc1cccc(Cc2ccccc2)c1,CHEMBL215252,6.41
+CC(=O)NC/C(=C/c1ccccc1)c1ccccc1,CHEMBL218926,5.44
+CC(=O)NC/C(=C\c1ccccc1)c1ccccc1,CHEMBL218808,5.92
+CCC(=O)NCC(Cc1ccccc1)c1cccc(OC)c1,CHEMBL220136,6.28
+COc1cccc(C(CNC(C)=O)Cc2ccccc2)c1,CHEMBL219127,6.16
+CC(=O)NCC(Cc1ccccc1)c1ccccc1,CHEMBL376693,6.15
+COc1ccc2[nH]cc(CCNC(=O)CCCCCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1,CHEMBL388591,6.41
+COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1,CHEMBL225302,5.19
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL225301,7.08
+CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL390944,7.15
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL220091,7.59
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL388141,7.62
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226171,7.22
+COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL387655,8.1
+COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226163,6.67
+COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226162,7.7
+COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226112,8.02
+CCCC(=O)NCC1(c2cn3c4c(cccc24)CCC3)CCCCC1,CHEMBL243003,5.23
+CC(=O)NCC1(c2cn3c4c(cccc24)CCC3)CCCCC1,CHEMBL243002,5.58
+O=C(NCCCc1cn2c3c(cccc13)CCC2)C1CCC1,CHEMBL242786,6.43
+O=C(NCCCc1cn2c3c(cccc13)CCC2)C1CC1,CHEMBL242573,6.94
+CCCC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL244472,7.38
+CCC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL244263,7.12
+CC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL241928,6.72
+CCCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12,CHEMBL441916,5.27
+CCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12,CHEMBL233945,5.23
+COc1cc(-c2ccccc2)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL233740,5.9
+CCCC(=O)NCCc1c[nH]c2c(-c3ccccc3)cc(OC)cc12,CHEMBL394408,6.02
+CCC(=O)NCCc1c[nH]c2c(-c3ccccc3)cc(OC)cc12,CHEMBL233517,6.21
+COc1cc(-c2ccccc2)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL233311,4.89
+CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12,CHEMBL394406,7.48
+CCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12,CHEMBL233310,7.85
+COc1cc(Br)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL233309,7.98
+CCCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12,CHEMBL233308,8.29
+CCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12,CHEMBL233729,8.38
+COc1cc(Br)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL233728,8.45
+CCCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12,CHEMBL392422,7.71
+CCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12,CHEMBL233516,7.8
+COc1cc(C)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL392421,8.06
+CCCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12,CHEMBL391350,8.54
+CCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12,CHEMBL395221,8.75
+COc1cc(C)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL231872,8.57
+COc1cccc(N(CCN(C)C(C)=O)c2ccccc2)c1,CHEMBL235334,5.89
+COc1cccc(N(CCNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL238049,6.49
+CCCC(=O)NCCN(c1ccccc1)c1cccc(OC)c1,CHEMBL279401,8.38
+COc1cccc(N(C)CCCNC(C)=O)c1,CHEMBL235329,9.08
+COc1cccc(NCCNC(C)=O)c1,CHEMBL398017,8.28
+COc1cccc(N(C)CCNC(C)=O)c1,CHEMBL237236,9.09
+CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1,CHEMBL235328,7.77
+COc1cccc(N(CCNC(C)=O)c2ccccc2)c1,CHEMBL235327,8.38
+CC(=O)NCCN(c1ccccc1)c1ccccc1,CHEMBL237840,6.9
+COc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1,CHEMBL395437,7.3
+COc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1,CHEMBL237234,6.88
+COc1ccc(N(CCNC(C)=O)c2ccccc2)cc1,CHEMBL394676,6.11
+COc1ccc(N(CCNC(C)=O)c2cccc(OC)c2)cc1,CHEMBL394430,7.0
+COc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL394273,7.72
+CC(=O)NCCc1c2n(c3ccccc13)CC1Cc3ccccc3N1C2,CHEMBL455909,6.0
+COc1ccc2c(c1)CC1Cn3c(c(CCNC(C)=O)c4cc(OC)ccc43)CN21,CHEMBL515696,5.742000000000001
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CC2Cc3ccccc3N2C1,CHEMBL514413,6.502999999999999
+COc1ccc2[nH]c(CN3c4ccccc4CC3CO)c(CCNC(C)=O)c2c1,CHEMBL498494,7.76
+COc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1,CHEMBL498493,8.01
+COc1ccc2c(c1)CC(CO)N2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL525374,7.46
+COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@@H](c1ccccc1)C2,CHEMBL514280,6.1
+COc1cccc(C(CCNC(C)=O)c2ccc3ccccc3c2)c1,CHEMBL457128,6.88
+COc1ccc2[nH]c(CN3c4ccccc4CC3C)c(CCNC(C)=O)c2c1,CHEMBL508552,6.83
+COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1,CHEMBL514415,6.97
+CCCC(=O)NCCc1c(CN2c3ccccc3CC2C)[nH]c2ccc(OC)cc12,CHEMBL457138,7.39
+CCC(=O)NCCc1c(CN2CCc3ccccc32)[nH]c2ccc(OC)cc12,CHEMBL457352,7.42
+COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1,CHEMBL445427,5.85
+COc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL515856,8.24
+COc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1,CHEMBL514427,7.39
+COc1ccc2[nH]c(CN3CCc4cc(Br)ccc43)c(CCNC(C)=O)c2c1,CHEMBL457807,7.07
+COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1,CHEMBL514904,6.92
+COc1ccc2[nH]c(CN3CCc4ccc([N+](=O)[O-])cc43)c(CCNC(C)=O)c2c1,CHEMBL513933,6.515
+COc1ccc2[nH]c(CN3CCc4ccc(N)cc43)c(CCNC(C)=O)c2c1,CHEMBL456505,6.965
+COc1ccc2cc(-c3ccccc3)cc(CCNC(C)=O)c2c1,CHEMBL453138,7.28
+COc1ccc2cc(-c3ccccc3CO)cc(CCNC(C)=O)c2c1,CHEMBL517502,8.23
+COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1,CHEMBL476131,6.56
+COc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1,CHEMBL476132,6.53
+CCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12,CHEMBL518113,6.9
+CCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12,CHEMBL476341,7.22
+COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(=O)C3CCC3)c2c1,CHEMBL478438,5.82
+COCc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL491403,6.69
+COc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1,CHEMBL491604,6.86
+COC(=O)c1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL491605,7.61
+COc1ccc2cc(-c3cccc(C(=O)O)c3)cc(CCNC(C)=O)c2c1,CHEMBL490594,5.42
+COc1ccc2cc(-c3cccc(CBr)c3)cc(CCNC(C)=O)c2c1,CHEMBL490595,7.29
+COc1ccc2cc(-c3cccc(CI)c3)cc(CCNC(C)=O)c2c1,CHEMBL477833,6.9
+COc1ccc2cc(-c3cccc(CN)c3)cc(CCNC(C)=O)c2c1,CHEMBL477834,5.86
+COc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1,CHEMBL490188,7.09
+CNc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL477835,7.08
+COc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1,CHEMBL478217,7.3
+CCOC(=O)Nc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL478218,6.91
+COc1ccc2cc(-c3cccc(NC(C)=O)c3)cc(CCNC(C)=O)c2c1,CHEMBL489170,7.42
+COc1ccc(N(C)Cc2[nH]c3ccc(OC)cc3c2CCNC(C)=O)cc1,CHEMBL552002,8.1
+COc1ccc2[nH]c(CN(C)c3ccc(C(F)(F)F)cc3)c(CCNC(C)=O)c2c1,CHEMBL563847,6.95
+COc1cccc(CCCNC(C)=O)c1,CHEMBL50398,7.63
+CCC(=O)NCCCc1cccc(OC)c1,CHEMBL297947,7.07
+COc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1,CHEMBL1091160,6.06
+CCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1,CHEMBL1091161,6.58
+CCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1,CHEMBL1088825,5.93
+COc1ccc(O)c(CCCNC(C)=O)c1,CHEMBL1092062,6.42
+COc1ccc(OC)c(CCCNC(C)=O)c1,CHEMBL1092400,5.89
+CCOc1ccc(OC)cc1CCCNC(C)=O,CHEMBL1091561,6.74
+CCCOc1ccc(OC)cc1CCCNC(C)=O,CHEMBL1091894,6.4
+COc1ccc(OCCc2ccccc2)c(CCCNC(C)=O)c1,CHEMBL1091895,5.53
+COc1ccc(COc2ccc(OC)cc2CCCNC(C)=O)cc1,CHEMBL1092839,5.57
+COc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1,CHEMBL1091716,5.74
+COc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1,CHEMBL1092646,6.36
+COc1cc(CCCNC(C)=O)ccc1OCc1ccccc1,CHEMBL1092647,5.05
+CCC(=O)NCCCc1ccc(OCc2ccccc2)c(OC)c1,CHEMBL1092911,5.7
+COc1cc(CCCNC(C)=O)ccc1O,CHEMBL1092047,6.59
+COc1cccc(COc2ccc(CCCNC(C)=O)cc2OC)c1,CHEMBL1093457,5.84
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12,CHEMBL1096991,9.19
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12,CHEMBL1094212,10.05
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4c(c3)C(CCNC(C)=O)CCC4)cc12,CHEMBL1095831,9.59
+COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1095196,10.15
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc12,CHEMBL1094546,9.26
+COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1,CHEMBL1095197,9.43
+C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1095195,9.1
+O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1,CHEMBL1097314,9.0
+C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12,CHEMBL1097315,9.04
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12,CHEMBL1095832,8.97
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc(C(C)C(=O)O)ccc4c3)cc12,CHEMBL1095505,8.82
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4occ(CCNC(C)=O)c4c3)cc12,CHEMBL1097496,8.86
+COC(=O)c1ccc(-c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc2)cc1,CHEMBL1094545,8.63
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12,CHEMBL1095522,8.39
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(=O)O)c4c3)cc12,CHEMBL1095504,8.04
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4scc(CCNC(C)=O)c4c3)cc12,CHEMBL1097497,8.46
+CC(=O)N[C@@H](C)CSc1ccccc1,CHEMBL1223347,5.43
+CC(=O)N[C@H](C)CSc1ccccc1,CHEMBL1223346,4.13
+CC(=O)NC(C)CSc1ccccc1,CHEMBL1223345,4.5
+COc1cccc(SC[C@H](C)NC(C)=O)c1,CHEMBL1223281,6.32
+COc1cccc(SC[C@@H](C)NC(C)=O)c1,CHEMBL1223280,4.94
+COc1cccc(SCC(C)NC(C)=O)c1,CHEMBL1223279,4.92
+COc1cccc(OC[C@H](C)NC(C)=O)c1,CHEMBL1223278,6.46
+COc1cccc(OC[C@@H](C)NC(C)=O)c1,CHEMBL1223277,4.44
+COc1cccc(OCC(C)NC(C)=O)c1,CHEMBL1223276,6.45
+CC(=O)N[C@@H](C)COc1ccccc1,CHEMBL1223275,4.68
+CC(=O)N[C@H](C)COc1ccccc1,CHEMBL1223274,4.2
+CC(=O)NC(C)COc1ccccc1,CHEMBL1223273,4.92
+CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1,CHEMBL1223198,8.41
+CCCC(=O)NC[C@@H](C)Sc1cccc(OC)c1,CHEMBL1223197,7.15
+CCCC(=O)NCC(C)Sc1cccc(OC)c1,CHEMBL1223196,8.04
+CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1,CHEMBL1223195,8.51
+CCCC(=O)NC[C@@H](C)Oc1cccc(OC)c1,CHEMBL1223194,7.09
+CCCC(=O)NCC(C)Oc1cccc(OC)c1,CHEMBL1223193,8.38
+COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1,CHEMBL1223192,8.27
+COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1,CHEMBL1223191,6.92
+COc1cccc(SC(C)CNC(=O)C2CC2)c1,CHEMBL1223131,8.07
+COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1,CHEMBL1223130,9.14
+COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1,CHEMBL1223129,8.11
+COc1cccc(OC(C)CNC(=O)C2CC2)c1,CHEMBL1223128,9.03
+COc1ccccc1SCCNC(C)=O,CHEMBL1223127,5.44
+COc1ccc(SCCNC(C)=O)cc1,CHEMBL1223126,5.55
+CC(=O)NCCSc1ccccc1,CHEMBL1223125,5.42
+COc1cccc(SCCNC(C)=O)c1,CHEMBL1223124,7.26
+CC(=O)NCCOc1ccccc1,CHEMBL1223056,4.94
+COc1ccccc1OCCNC(C)=O,CHEMBL1223055,4.43
+COc1ccc(OCCNC(C)=O)cc1,CHEMBL1223054,4.21
+COc1cccc(S[C@@H](C)CNC(C)=O)c1,CHEMBL1223053,8.24
+COc1cccc(S[C@H](C)CNC(C)=O)c1,CHEMBL1223052,5.56
+COc1cccc(SC(C)CNC(C)=O)c1,CHEMBL1223051,6.96
+COc1cccc(O[C@@H](C)CNC(C)=O)c1,CHEMBL1223050,8.77
+COc1cccc(O[C@H](C)CNC(C)=O)c1,CHEMBL1223049,7.31
+COc1cccc(OC(C)CNC(C)=O)c1,CHEMBL1222986,8.44
+CC(=O)NCC(C)Oc1ccccc1,CHEMBL1222985,5.86
+COc1ccccc1OC(C)CNC(C)=O,CHEMBL1222984,4.98
+COc1ccc(OC(C)CNC(C)=O)cc1,CHEMBL1222983,4.37
+COc1ccc2[nH]cc(CCNC(C)=O)c2n1,CHEMBL1760944,9.647
+CCCC(=O)NCCn1ccc2ccc(OC)nc21,CHEMBL1760947,8.89
+COc1ccc2ccn(CCNC(C)=O)c2n1,CHEMBL1760945,8.85
+CCC(=O)NCCn1ccc2ccc(OC)nc21,CHEMBL1760946,8.48
+COc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3,CHEMBL1760957,8.05
+COc1ccc2c(I)cn(CCNC(C)=O)c2n1,CHEMBL1760956,7.8
+COc1ccc2c(C(=O)C(F)(F)F)cn(CCNC(C)=O)c2n1,CHEMBL1760955,7.04
+COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1,CHEMBL1760950,6.29
+COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1,CHEMBL1760952,5.92
+CNCc1cn(CCNC(C)=O)c2nc(OC)ccc12,CHEMBL1760954,5.08
+COc1ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cn(CCNC(C)=O)c2n1,CHEMBL1760953,5.02
+COc1ccc2c(CN(C)Cc3ccccc3)cn(CCNC(C)=O)c2n1,CHEMBL1760949,4.98
+CC(=O)NCCC1=C(c2csc3ccccc23)Cc2ccc3c(c21)CCO3,CHEMBL1774531,8.89
+CC(=O)NCCC1=C(c2ccc(C(C)(C)C)cc2)Cc2ccc3c(c21)CCO3,CHEMBL1774530,8.85
+CC(=O)NCCC1=C(c2cccc(C(C)C)c2)Cc2ccc3c(c21)CCO3,CHEMBL1774529,7.89
+COc1ccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)cc1,CHEMBL1774527,8.52
+COc1cccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)c1,CHEMBL1774526,10.24
+COc1ccccc1C1=C(CCNC(C)=O)c2c(ccc3c2CCO3)C1,CHEMBL1774525,8.96
+CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3,CHEMBL1774524,10.16
+CC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3c(c21)CCO3,CHEMBL1774520,9.06
+CC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3,CHEMBL1774519,8.04
+CC(=O)NCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3,CHEMBL1774518,8.57
+CCNC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774517,8.96
+CC(C)C1=C(CCNC(=O)C(F)(F)F)c2c(ccc3c2CCO3)C1,CHEMBL1774516,10.49
+CC(C)C1=C(CCNC(=O)C2CC2)c2c(ccc3c2CCO3)C1,CHEMBL1774515,9.96
+CCC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774514,10.89
+CC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774513,10.62
+CC(=O)NCCC1=CCc2ccc3c(c21)CCO3,CHEMBL1774512,10.35
+O=C(CBr)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779807,7.66
+CC(=O)NCCc1csc2ccc(F)cc12,CHEMBL1779803,7.61
+C=CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779810,7.28
+CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779804,7.24
+CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779805,6.65
+C=CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779809,6.63
+O=C(NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12)C1CCC1,CHEMBL1779806,6.04
+O=C(CCCCl)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779808,5.54
+CC(=O)NCCn1c(-c2ccccc2)nc2ccc3c(c21)CCO3,CHEMBL1802021,7.7
+CC(=O)NCCc1c(-c2ccccc2)nn2ccc3c(c12)CCO3,CHEMBL1802022,10.09
+CC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3,CHEMBL1802023,9.8
+CCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3,CHEMBL1802024,10.08
+CCc1nn2ccc3c(c2c1CCNC(C)=O)CCO3,CHEMBL1802025,10.21
+CCC(=O)NCCc1c(CC)nn2ccc3c(c12)CCO3,CHEMBL1802026,10.41
+CC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3,CHEMBL1802027,10.36
+CCC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3,CHEMBL1802028,10.59
+CC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3,CHEMBL1802029,9.32
+CCC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3,CHEMBL1802030,9.51
+CC(=O)NCCN(C)c1cccc(OCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813174,7.69
+CC(=O)NCCN(C)c1cccc(OCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813319,7.37
+CC(=O)NCCN(C)c1cccc(OCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813320,7.24
+CC(=O)NCCN(C)c1cccc(OCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813321,8.47
+CC(=O)NCCN(C)c1cccc(OCCCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813322,7.7
+CC(=O)NCCN(C)c1cccc(OCCCCCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813323,8.4
+CC(=O)NCCN(C)c1cccc(OCCCCCCOc2ccccc2)c1,CHEMBL1813324,7.84
+COc1cccc(N(CCCCCCN(CCNC(C)=O)c2cccc(OC)c2)CCNC(C)=O)c1,CHEMBL1813325,6.13
+COc1cccc(N(CCCCCCCCCCN(CCNC(C)=O)c2cccc(OC)c2)CCNC(C)=O)c1,CHEMBL1813326,6.42
+COc1cccc(N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL1813327,6.54
+COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2n1,CHEMBL1823015,10.4
+CNC(=O)CCc1c(-c2ccccc2)nc2ccc(OC)cn12,CHEMBL1823016,5.96
+COc1ccc2nc(-c3ccccc3)c(CCNC(C)=O)n2c1,CHEMBL1823017,7.55
+COc1ccc(OC)c([C@@H]2C[C@H]2NC(C)=O)c1,CHEMBL2314263,7.06
+CNC(=O)N/C=C/c1cccc2ccccc12,CHEMBL2314254,7.6
+CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12,CHEMBL2314250,7.72
+CC(=O)N/C=C/c1cccc2ccccc12,CHEMBL229015,8.17
+COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O,CHEMBL2314252,8.43
+CNC(=O)N/C=C/c1c(OC)ccc2ccccc12,CHEMBL2314258,8.51
+COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1,CHEMBL2314251,9.52
+CNC(=O)N/C=C/c1c(OC)ccc2ccc(OC)cc12,CHEMBL2314260,9.7
+COc1ccc2ccccc2c1/C=C/NC(C)=O,CHEMBL2314257,10.0
+COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1,CHEMBL2314253,10.22
+COc1ccc2cccc(/C=C/NC(C)=O)c2c1,CHEMBL2314255,10.4
+COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1,CHEMBL2314259,10.52
+CCC(=O)NCCCc1cc(OC)ccc1-c1cccc(OC)c1,CHEMBL2326203,7.49
+CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1,CHEMBL2326202,7.4
+CCC(=O)NCCCc1cc(OC)ccc1CCc1cccc(OC)c1,CHEMBL2326201,7.65
+CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1,CHEMBL2326200,7.42
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C1,CHEMBL3109563,7.49
+CCC1=C(C)C2=Cc3c(CCNC(C)=O)c4cc(OC)ccc4n3[B-](F)(F)[N+]2=C1C,CHEMBL3109562,6.59
+COc1ccc(C2=[N+]3C(=Cc4c(CCNC(C)=O)c5cc(OC)ccc5n4[B-]3(F)F)C=C2)cc1,CHEMBL3109561,7.31
+COc1ccc([CH+]C=c2ccc3n2[B-](F)(F)n2c(c(CCNC(C)=O)c4cc(OC)ccc42)C=3)cc1,CHEMBL3109560,7.15
+COc1ccc2[nH]c(CN3CCc4ccccc4C3)c(CCNC(C)=O)c2c1,CHEMBL3219323,6.6
+COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1,CHEMBL3219324,6.74
+COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(=O)C3CCC3)c2c1,CHEMBL3219325,7.24
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(C)=O)c2c1,CHEMBL3219326,6.55
+CCC(=O)NCCc1c(CN2Cc3ccccc3C2)[nH]c2ccc(OC)cc12,CHEMBL3219327,8.25
+C=CCC(=O)NCCc1c(CN2Cc3ccccc3C2)[nH]c2ccc(OC)cc12,CHEMBL3219328,7.62
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CC3)c2c1,CHEMBL3219329,7.21
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CCC3)c2c1,CHEMBL3219330,6.95
+COc1cc2c(CCNC(C)=O)c(C)[nH]c2cc1Cl,CHEMBL3260979,8.87
+COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl,CHEMBL34730,7.94
+COc1cc2[nH]cc(CCNC(C)=O)c2cc1OC,CHEMBL124699,6.68
+COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL339105,7.49
+COc1ccc2[nH]cc(C3CCCN(C(C)=O)C3)c2c1,CHEMBL3260983,7.04
+CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1,CHEMBL3260987,8.93
+CCOC(=O)c1[nH]c2ccc(OC)c3c2c1[C@@H](CNC(C)=O)CC3,CHEMBL3260982,9.74
+CCCCCCOc1ccc2c(c1)C(CCNC(C)=O)CCO2,CHEMBL3260984,8.695
+CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12,CHEMBL3260985,8.41
+CC(=O)NCCc1c[nH]c2ccc(OCCCOc3ccccc3)cc12,CHEMBL3260986,8.1
+CC(=O)NCCc1cccc2ccc(-c3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1097525,8.28
+CCNC(=O)N1CCCC2Cc3cc(Cl)c(OC)cc3C21,CHEMBL3329390,6.17
+O=C(CN1CCCC2Cc3cc4c(cc3C21)OCO4)Nc1ccccc1,CHEMBL3329376,6.3
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,6.68
+COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1,CHEMBL3580919,7.46
+COc1ccc2[nH]cc(CCc3nnco3)c2c1,CHEMBL3580917,6.24
+COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1,CHEMBL3580916,6.15
+COc1ccc2[nH]cc(Cc3nnc(C)o3)c2c1,CHEMBL3580915,6.68
+COc1ccc2[nH]cc(Cc3nc(C)no3)c2c1,CHEMBL3580913,6.77
+COc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1,CHEMBL3580911,6.55
+C=CCNC(=O)CCc1c[nH]c2ccc(OC)cc12,CHEMBL3580910,8.6
+C=CCNC(=O)Cc1c[nH]c2ccc(OC)cc12,CHEMBL3580909,7.77
+C#CCNC(=O)CCc1c[nH]c2ccc(OC)cc12,CHEMBL3580908,8.3
+C#CCNC(=O)Cc1c[nH]c2ccc(OC)cc12,CHEMBL3580907,7.85
+CCC(=O)NCC1CCc2c(cccc2OC)N1,CHEMBL3612455,7.24
+CCC(=O)NCC1CCc2ccccc2N1,CHEMBL3612456,7.89
+CCNC(=O)NCC1CCc2c(cccc2OC)N1,CHEMBL3612457,6.32
+CCNC(=O)NCC1CCc2ccccc2N1,CHEMBL3612458,6.94
+CCNC(=S)NCC1CCc2ccccc2N1,CHEMBL3612460,6.52
+CCNC(=O)NCC1CCc2c(OC)cccc2N1C,CHEMBL3612461,8.3
+CCNC(=O)NCC1CCc2ccccc2N1C,CHEMBL3612462,8.28
+CCNC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1,CHEMBL3612463,6.88
+CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1,CHEMBL3612464,7.77
+CCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1,CHEMBL3612465,6.73
+CCC(=O)NCC1CCc2ccc(OC)cc2N1Cc1ccccc1,CHEMBL3612466,6.67
+CCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1,CHEMBL3612467,7.43
+CC(=O)NCC1CCc2ccccc2N1Cc1ccccc1,CHEMBL3612468,7.35
+CC(=O)NC[C@H]1CCc2ccccc2N1Cc1ccccc1,CHEMBL3612469,7.35
+CC(=O)NC[C@@H]1CCc2ccccc2N1Cc1ccccc1,CHEMBL3612470,6.91
+O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1,CHEMBL3612471,6.54
+O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CCC1,CHEMBL3612602,6.2
+CCC(=O)NCC1CCc2c(OC)cccc2N1C,CHEMBL3612603,10.52
+CCC(=O)NCC1CCc2ccccc2N1C,CHEMBL3612604,9.15
+CC(=O)NCC1CCc2ccccc2N1CCc1ccccc1,CHEMBL3612605,6.77
+CCCN1c2ccccc2CCC1CNC(C)=O,CHEMBL3612606,8.24
+CCC(=O)NCC1CCc2ccccc2N1c1ccccc1,CHEMBL3612608,8.8
+CCNC(=S)NCC1CCc2ccccc2N1C,CHEMBL3612609,7.66
+CCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1,CHEMBL3612610,6.49
+COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1,CHEMBL3628489,7.89
+COc1ccc2cccc(CCNC(=O)C(F)F)c2c1,CHEMBL1946221,10.27
+COc1ccc2cccc(CCNC(=O)C(F)(F)F)c2c1,CHEMBL322339,8.27
+COc1ccc2cccc(CCNC(=O)C(Cl)Cl)c2c1,CHEMBL3742090,8.3
+CC(=O)NCCc1cccc2ccc(OCCCc3ccccc3)cc12,CHEMBL3739824,7.825
+CC(=O)NCCc1cccc2ccc(OCCCOc3ccccc3)cc12,CHEMBL3740052,7.455
+CC(=O)NCCc1cccc2ccc(OCCCCc3ccccc3)cc12,CHEMBL3741561,8.04
+O=C(NCCc1c[nH]c2ccc(OCCCOc3ccccc3)cc12)C(F)F,CHEMBL3739674,8.21
+O=C(NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(=O)C(F)F)c4c3)cc12)C(F)F,CHEMBL3741890,8.915
+O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C(F)F)c4c3)cc12)C(F)F,CHEMBL3740377,7.925
+COc1ccc2ccc3occ(CNC(C)=O)c3c2c1,CHEMBL3758225,8.34
+COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1,CHEMBL3759802,8.55
+COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1,CHEMBL3758717,8.68
+COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1,CHEMBL3758720,8.0
+COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1,CHEMBL3759816,7.7
+COc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1,CHEMBL3759606,7.63
+COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1,CHEMBL3758679,8.72
+COc1ccc2ccc3oc(CCNC(=O)C4CC4)cc3c2c1,CHEMBL3759859,7.14
+COc1ccc2ccc3occ(CNC(=O)C(C)C)c3c2c1,CHEMBL3759054,6.8
+COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1,CHEMBL3759160,8.0
+COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1,CHEMBL3759084,8.24
+CCNC(=O)NCCc1coc2ccc3ccc(OC)cc3c12,CHEMBL3760044,6.8
+CCNC(=O)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759080,7.77
+CCNC(=O)NCCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759180,6.68
+CNC(=S)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759372,7.37
+CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759677,6.85
+COc1cc2c(CCNC(C)=O)c[nH]c2cn1,CHEMBL3765249,8.02
+COc1cc2c(CCNC(C)=O)coc2cn1,CHEMBL3763247,7.14
+COc1ccc2occ(CCNC(C)=O)c2n1,CHEMBL3763281,8.8
+COc1ccc2oc(I)c(CCNC(C)=O)c2n1,CHEMBL3765401,9.7
+COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2n1,CHEMBL3765540,10.4
+COc1ccc2oc(-c3ccc(F)cc3)c(CCNC(C)=O)c2n1,CHEMBL3763503,9.7
+COc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1,CHEMBL3764421,6.92
+COc1ccc2oc(-c3cccc4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3764879,6.7
+COc1ccc2oc(-c3ccc4ccccc4c3)c(CCNC(C)=O)c2n1,CHEMBL3764765,8.66
+COc1ccc2oc(-c3c4ccccc4cc4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3764063,7.51
+COc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3763537,7.17
diff --git a/chembl_200/CHEMBL1946.csv b/chembl_200/CHEMBL1946.csv
new file mode 100644
index 0000000000000000000000000000000000000000..17181e6327a8adafd4e2e957be422a878ff8fee2
--- /dev/null
+++ b/chembl_200/CHEMBL1946.csv
@@ -0,0 +1,697 @@
+CCCC(=O)NCC1CCc2cccc3cccc1c23,CHEMBL338425,9.74
+CCC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL133001,9.66
+CC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL337295,8.42
+COc1ccc2ccc(OC)c3c2c1CCC3CNC(C)=O,CHEMBL336509,9.84
+COc1ccc2cccc3c2c1C(CCNC(C)=O)CC3,CHEMBL132340,9.41
+CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23,CHEMBL130542,10.07
+COc1ccc2cccc3c2c1C(CNC(C)=O)CC3,CHEMBL132802,10.03
+COc1ccc2cccc3c2c1CCC3CNC(=O)C1CC1,CHEMBL130876,9.1
+CCCC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL133426,8.73
+CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL337024,9.26
+CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL340832,10.0
+CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL336054,9.82
+COc1ccc2cccc3c2c1CCC3CCNC(C)=O,CHEMBL130286,7.93
+COc1ccc2cccc3c2c1C(CCNC(C)=O)C3,CHEMBL130203,9.23
+CCC(=O)NCCC1Cc2cccc3cccc1c23,CHEMBL336333,8.73
+O=C(NCCC1Cc2cccc3cccc1c23)C1CC1,CHEMBL131431,7.79
+COc1ccc2cccc3c2c1CCC3CCNC(=O)C1CC1,CHEMBL336633,7.88
+CC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL131602,9.29
+CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23,CHEMBL131252,10.16
+COc1ccc2cccc3c2c1CCC3CNC(C)=O,CHEMBL336647,9.39
+COc1ccc2cccc3c2c1C(CNC(C)=O)C3,CHEMBL130490,9.92
+CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23,CHEMBL336858,9.62
+CCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23,CHEMBL434226,9.47
+CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23,CHEMBL129889,9.89
+COc1ccc2ccc(OC)c3c2c1CCC3CNC(=O)C1CC1,CHEMBL133416,9.59
+COc1ccc2cccc3c2c1C(CCNC(=O)C1CC1)C3,CHEMBL130813,7.38
+CC(=O)NCC1CCc2cccc3cccc1c23,CHEMBL130319,9.66
+COc1ccc2ccc(OC)c3c2c1CCC3CCNC(C)=O,CHEMBL130898,9.26
+O=C(NCC1Cc2cccc3cccc1c23)C1CC1,CHEMBL341439,9.24
+CCCC(=O)NCC1Cc2cccc3cccc1c23,CHEMBL337882,10.03
+COc1ccc2ccc(OC)c3c2c1CCC3CCNC(=O)C1CC1,CHEMBL131575,8.8
+CCC(=O)NCCC1CCc2c(OC)ccc3cccc1c23,CHEMBL340745,8.39
+CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23,CHEMBL129890,9.72
+COc1ccc2cccc3c2c1C(CNC(=O)C1CC1)C3,CHEMBL334962,9.51
+COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1,CHEMBL33549,9.515
+CCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL94919,8.02
+CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1,CHEMBL96778,7.77
+COc1cccc(Cc2oc3ccccc3c2CCNC(C)=O)c1,CHEMBL445117,7.73
+C/C=C/C(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL96104,9.68
+COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1,CHEMBL329960,9.47
+COc1ccc2oc(Cc3c(Cl)cccc3Cl)c(CCNC(C)=O)c2c1,CHEMBL96562,7.89
+CCc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL96333,8.08
+C=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL330137,10.7
+C=CCC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12,CHEMBL329086,9.96
+CC(=O)NCCc1c(Cc2ccccc2)oc2ccccc12,CHEMBL440144,7.97
+CC(=O)NCCc1c(Cc2ccccc2)oc2ccc(O)cc12,CHEMBL91813,7.1
+CCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL315653,8.49
+COc1ccc2occ(CCNC(C)=O)c2c1,CHEMBL323332,9.47
+C=CC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12,CHEMBL96916,8.56
+COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1,CHEMBL95166,9.64
+COc1ccc2oc(CC3CCCCC3)c(CCNC(C)=O)c2c1,CHEMBL329299,8.6
+COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1,CHEMBL328617,9.39
+COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL287560,10.7
+COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1,CHEMBL94607,9.66
+C=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL314512,11.0
+C=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL97186,10.22
+COc1ccc2oc(Cc3cccc(C(F)(F)F)c3)c(CCNC(C)=O)c2c1,CHEMBL314947,8.93
+COc1ccc2oc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(CCNC(C)=O)c2c1,CHEMBL327864,6.47
+COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)c3ccco3)c2c1,CHEMBL96173,7.44
+CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL94301,9.46
+CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL96859,9.7
+CNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12,CHEMBL94838,10.4
+COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1,CHEMBL317742,9.3
+C=CC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12,CHEMBL96548,9.16
+COc1ccc2oc(CCCc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL98074,8.82
+COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL329263,10.3
+CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL429392,6.8260000000000005
+COc1cccc2[nH]c(CNC(C)=O)cc12,CHEMBL99534,6.09
+COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1,CHEMBL98028,6.7
+COc1cccc2[nH]c(CCNC(C)=O)cc12,CHEMBL418789,6.03
+CCC(=O)NCCc1[nH]c2cccc(OC)c2c1Br,CHEMBL99502,6.84
+COc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1,CHEMBL98520,6.85
+CCC(=O)NCc1cc2c(OC)cccc2[nH]1,CHEMBL34728,6.54
+CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1,CHEMBL33346,8.12
+COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1,CHEMBL99512,6.45
+CC(=O)NCCc1cc2ccccc2[nH]1,CHEMBL99083,5.79
+CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1,CHEMBL33185,8.058
+COc1cccc2cc(CCNC(C)=O)[nH]c12,CHEMBL316952,5.37
+CCC(=O)NCc1[nH]c2cc(OC)ccc2c1Br,CHEMBL98956,6.61
+COc1cccc2c1cc(CCNC(=O)C1CC1)n2-c1ccccc1,CHEMBL318871,7.34
+CCC(=O)NCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL287343,7.99
+COc1cccc2c1cc(CCNC(C)=O)n2-c1ccccc1,CHEMBL329979,8.11
+COc1ccc2cc(CCNC(C)=O)[nH]c2c1,CHEMBL99091,5.84
+COc1ccc2cc(CCNC(C)=O)n(C)c2c1,CHEMBL98484,5.91
+CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL100104,8.78
+COc1ccc2[nH]c(CCNC(C)=O)cc2c1,CHEMBL319970,5.03
+COc1cccc2c1cc(CCNC(=O)C1CCC1)n2-c1ccccc1,CHEMBL99987,6.94
+CCC(=O)NCCc1cc2c(OC)cccc2[nH]1,CHEMBL99084,6.65
+CCC(=O)NCc1cc2ccc(OC)cc2n1Cc1ccccc1,CHEMBL97885,6.56
+CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1,CHEMBL99002,7.75
+COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12,CHEMBL34729,6.19
+CCC(=O)NCCCc1cc2c(OC)cccc2n1-c1ccccc1,CHEMBL99001,7.89
+CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14136,9.74
+CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14417,10.4
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14453,7.068
+CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL273787,8.76
+CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL13985,8.63
+CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL14514,6.74
+COc1ccc2nccc(CCNC(C)=O)c2c1,CHEMBL69521,8.85
+CCCC(=O)NCCc1ccnc2ccc(OC)cc12,CHEMBL68864,9.39
+CCC(=O)NCCc1ccnc2ccc(OC)cc12,CHEMBL306468,9.02
+COc1ccc2oc(-c3ccccc3)c(CCNC(=O)c3ccco3)c2c1,CHEMBL96420,8.77
+COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1,CHEMBL94745,8.45
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2,CHEMBL19026,9.62
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1,CHEMBL276921,10.1
+CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,CHEMBL431103,9.12
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12,CHEMBL2112722,9.48
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCC)N2,CHEMBL19211,10.4
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL19441,8.6
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL2112700,9.43
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)NCC)c2O1,CHEMBL19109,9.0
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL2112690,10.15
+CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1,CHEMBL18960,9.06
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12,CHEMBL2112727,9.36
+CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1,CHEMBL2112724,9.72
+CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1,CHEMBL18846,8.66
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CC)N2,CHEMBL19260,8.66
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1,CHEMBL19128,9.89
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL428692,9.49
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCCCc1ccccc1)N2,CHEMBL18845,8.72
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1,CHEMBL279343,9.85
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL278922,8.92
+O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1,CHEMBL2112734,9.32
+CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,CHEMBL19050,9.55
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL553105,9.1
+CNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,CHEMBL19237,7.9
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2,CHEMBL10099,9.7
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2,CHEMBL10009,10.3
+CCCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL9815,7.2
+O=C(NCCc1c2n(c3ccccc13)Cc1ccccc1-2)C1CC1,CHEMBL10043,6.65
+CCOc1ccc2c(c1)c(CCNC(=O)CC)c1n2CCCc2ccccc2-1,CHEMBL276005,7.66
+CCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL9838,7.34
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1,CHEMBL274842,9.29
+O=C(NCCc1c2n(c3ccccc13)CCc1ccccc1-2)C1CCC1,CHEMBL9950,6.45
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2,CHEMBL9997,9.92
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2,CHEMBL10293,8.85
+CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2,CHEMBL274438,9.3
+CCOc1ccc2c(c1)c(CCNC(=O)CC)c1n2Cc2ccccc2-1,CHEMBL9630,9.59
+CC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL273623,6.65
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCCc2ccccc2-1,CHEMBL275529,8.2
+COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2CCCc2ccccc2-1,CHEMBL10124,7.92
+CCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2,CHEMBL274317,9.77
+CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1,CHEMBL274896,9.68
+CCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL273897,8.03
+O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CCC1,CHEMBL269670,6.51
+CCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL269175,7.76
+CCCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL10328,7.92
+O=C(NCCc1c2n(c3ccccc13)Cc1ccccc1-2)C1CCC1,CHEMBL9934,5.95
+CC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL9634,7.44
+COc1ccc2c(c1)c(CCNC(=O)C1CCC1)c1n2CCCc2ccccc2-1,CHEMBL9917,7.5
+CCOc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2CCCc2ccccc2-1,CHEMBL9935,7.07
+CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2CCCc2ccccc2-1,CHEMBL274995,6.93
+CC(=O)NCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2,CHEMBL273624,7.47
+COc1ccc2c(c1)c(CCNC(=O)C1CCC1)c1n2CCc2ccccc2-1,CHEMBL276490,6.49
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1,CHEMBL9772,10.22
+CCOc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1,CHEMBL9600,8.26
+CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)CCCc1ccccc1-2,CHEMBL10007,8.19
+COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1,CHEMBL10110,9.02
+CC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL9765,7.77
+O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CC1,CHEMBL9791,7.28
+CCCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,CHEMBL9605,8.43
+CC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2,CHEMBL274630,8.3
+CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2,CHEMBL9590,9.8
+CCCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136895,8.24
+CC(C)C(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL336024,7.07
+CCCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL341705,7.65
+CNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138012,9.03
+O=C(NC1CC1)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL435023,7.97
+O=C(N[C@H]1CCN(c2cccc3c2CCO3)C1)C1CC1,CHEMBL139439,8.55
+CNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL344449,8.34
+O=C(NC1CC1)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136894,7.72
+CCCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136531,9.51
+O=C(N[C@@H]1CCN(c2cccc3c2CCO3)C1)C1CC1,CHEMBL138228,7.46
+CCCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL342393,8.59
+CCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136431,8.68
+CCC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL343825,9.4
+CCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136564,9.38
+CC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL136273,6.92
+CCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138848,7.41
+CCCC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1,CHEMBL139497,8.59
+CC(C)C(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL138744,8.19
+CC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,CHEMBL336268,9.0
+COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1,CHEMBL289233,9.76
+NCCc1ccc(O)c(O)c1,CHEMBL59,5.04
+CCC(=O)NCCc1c(OCCI)ccc2ccc(OC)cc12,CHEMBL79224,7.14
+CCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL311106,7.8
+CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12,CHEMBL440692,8.92
+CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12,CHEMBL291857,9.42
+CCC(=O)NCCc1c(OCCN(C)C)ccc2ccc(OC)cc12,CHEMBL80792,8.0
+CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL80736,8.92
+CCC(=O)NCCc1c(OCC[N+](C)(C)C)ccc2ccc(OC)cc12,CHEMBL78338,7.64
+CCC(=O)NCCc1c(OCCO)ccc2ccc(OC)cc12,CHEMBL78751,8.89
+CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC,CHEMBL82135,8.17
+CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12,CHEMBL131919,8.8
+COc1ccc2c(c1)c(CCNC(C)=O)cn2C,CHEMBL33700,8.635
+COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1ccccc1,CHEMBL34327,8.19
+COc1ccc2c(c1)c(CCNC(C)=O)cn2-c1ccccc1,CHEMBL33869,6.87
+CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,CHEMBL1218,10.35
+CCCc1nc2cccc(CCCNC(=O)NCC)c2o1,CHEMBL127565,7.44
+CC(C)C(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL123612,7.24
+CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL330969,7.85
+CCCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL125705,7.54
+O=C(NCCCc1cccc2nc(-c3ccccc3)oc12)C1CC1,CHEMBL445840,7.42
+CC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL339265,7.8
+CCC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL124577,8.55
+CCCC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124422,9.0
+CCNC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124217,7.92
+CC(C)C(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12,CHEMBL435586,7.74
+CCCC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL338659,8.66
+CCCc1nc2cccc(CCCNC(=O)CC)c2o1,CHEMBL124783,7.57
+CCc1nc2cccc(CCCNC(C)=O)c2o1,CHEMBL125665,8.64
+CCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL125033,8.0
+CCNC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123972,7.28
+CC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL126005,7.05
+CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL331636,7.54
+Cc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL127596,8.64
+CCCC(=O)NCCCc1cccc2nc(CCC)oc12,CHEMBL124782,7.66
+CCCC(=O)NCCCc1cccc2ncoc12,CHEMBL124914,8.43
+CC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL333810,8.28
+CCCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL339784,7.77
+CC(=O)NCCCc1cccc2ncoc12,CHEMBL124488,8.37
+CCCc1nc2cccc(CCCNC(C)=O)c2o1,CHEMBL124216,7.46
+CCC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123634,7.82
+CC(C)c1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL331317,6.94
+Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL127570,8.57
+CCc1nc2cccc(CCCNC(=O)C(C)C)c2o1,CHEMBL262890,8.35
+CCNC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12,CHEMBL127576,7.21
+CCCC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL124445,7.8
+CCC(=O)NCCCc1cccc2ncoc12,CHEMBL124476,8.74
+CC(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123690,7.46
+CC(C)C(=O)NCCCc1cccc2nc(C(C)C)oc12,CHEMBL123973,7.06
+CCCc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL123899,8.12
+CCNC(=O)NCCCc1cccc2nc(C)oc12,CHEMBL125226,7.59
+CCc1nc2cccc(CCCNC(=O)C3CC3)c2o1,CHEMBL125642,8.33
+CCC(=O)NCCCc1cccc2nc(CC)oc12,CHEMBL124362,9.0
+O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1,CHEMBL334079,7.66
+CCCC(=O)Nc1ccc(N(C)c2cccc3c2CCO3)cc1,CHEMBL7807,9.31
+CCCC(=O)Nc1ccc(Cc2cccc3c2CCO3)cc1,CHEMBL8169,9.15
+C#CCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7898,6.96
+CCC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL7832,9.77
+CCCC(=O)Nc1ccc(Oc2cccc3c2CCO3)cc1,CHEMBL7700,9.17
+CCOC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL7556,8.14
+COc1cccc(Nc2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7713,7.19
+CCCC(=O)Nc1ccc(Nc2cccc3c2CCO3)cc1,CHEMBL8004,7.41
+COc1cccc(Nc2ccc(NC(=O)C(C)C)cc2)c1,CHEMBL7874,7.08
+CCCC(=O)Nc1ccc(C(=O)c2cccc(OC)c2)cc1,CHEMBL8200,7.48
+CCCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7650,9.12
+CCCC(=O)Nc1ccc(N(C)c2cccc(OC)c2)cc1,CHEMBL266549,10.0
+CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1,CHEMBL7875,9.11
+CCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1,CHEMBL414212,6.97
+CCCC(=O)Nc1cccc(Oc2cccc(OC)c2)c1,CHEMBL416328,7.57
+COc1cccc(Oc2ccc(NC(=O)CC(C)C)cc2)c1,CHEMBL7708,7.82
+CCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7599,9.12
+COc1cccc(Oc2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7673,7.89
+CCCC(=O)Nc1ccc(S(=O)(=O)c2cccc(OC)c2)cc1,CHEMBL7637,8.0
+COc1cccc(N(C)c2ccc(NC(C)=O)cc2)c1,CHEMBL8168,9.64
+COc1cccc(N(C)c2ccc(NC(=O)C3CC3)cc2)c1,CHEMBL7567,8.32
+CCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1,CHEMBL7771,9.72
+COc1cccc(Nc2ccc(NC(C)=O)cc2)c1,CHEMBL268165,8.38
+CCCC(=O)Nc1ccc(Cc2cccc(OC)c2)cc1,CHEMBL7867,9.92
+CCCC(=O)Nc1ccc(Oc2cccc3c2OCCO3)cc1,CHEMBL8032,8.33
+COc1cccc(Oc2ccc(NC(=O)C(C)C)cc2)c1,CHEMBL7703,6.91
+CCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL266970,8.17
+COCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7659,8.23
+CCNC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7772,6.6
+CCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1,CHEMBL7215,8.74
+CCOC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1,CHEMBL7959,6.82
+C/C=C/C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1,CHEMBL7559,8.68
+CCCC(=O)Nc1ccccc1Oc1cccc(OC)c1,CHEMBL8278,6.89
+COc1cccc(Oc2ccc(NC(C)=O)cc2)c1,CHEMBL8094,8.39
+CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1,CHEMBL7229,9.41
+COc1cccc(N(C)c2ccc(NC(=O)C(C)C)cc2)c1,CHEMBL7990,8.26
+COc1ccc2c(c(CCNC(C)=O)c(I)n2C)c1[N+](=O)[O-],CHEMBL300728,7.41
+COc1cc2c(CCNC(C)=O)c(I)n(C)c2cc1[N+](=O)[O-],CHEMBL55084,9.11
+COc1cc([N+](=O)[O-])c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL300729,7.54
+COc1ccc2c(c1)c(CCNC(C)=O)c(I)n2C,CHEMBL300056,10.33
+COc1ccc2c(c(CCNC(C)=O)cn2C)c1[N+](=O)[O-],CHEMBL53622,6.71
+COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+](=O)[O-],CHEMBL52755,9.77
+COc1cc2c(CCNC(C)=O)c[nH]c2cc1[N+](=O)[O-],CHEMBL298335,8.28
+COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+](=O)[O-],CHEMBL300195,6.09
+COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+](=O)[O-],CHEMBL52559,7.63
+CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL359921,8.7
+CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL367797,8.7
+CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL367604,8.7
+CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL361854,7.05
+O=C(NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2)C1CC1,CHEMBL361410,8.3
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL361206,7.4
+CCNC(=O)NC[C@@H]1C[C@H]1c1c(Cl)ccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181457,7.05
+CC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL362849,8.1
+CCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL178678,7.7
+CCCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL368886,7.52
+CC(C)C(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181687,7.4
+O=C(NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2)C1CC1,CHEMBL181974,7.52
+CCNC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2,CHEMBL181192,7.4
+CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL186586,8.0
+CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL186736,8.55
+CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL363947,8.0
+CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL184562,7.27
+O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1,CHEMBL360428,7.48
+CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL362097,7.05
+CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL365852,6.9
+CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL363936,7.22
+CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL184990,7.09
+CC(C)C(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL187186,7.08
+O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1,CHEMBL183846,7.02
+CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12,CHEMBL183962,7.28
+CC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL188016,7.85
+CCC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL186977,8.22
+CCCC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL184144,8.14
+CC(C)C(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL184762,6.79
+O=C(N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1)C1CC1,CHEMBL363441,6.82
+CCNC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1,CHEMBL359561,7.01
+CC(=O)NCC1Cc2ccccc2Cc2ccccc21,CHEMBL363321,7.52
+COc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2,CHEMBL189449,9.083
+CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc21,CHEMBL189414,9.795
+CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc21,CHEMBL189395,9.61
+CC(=O)NCC1=Cc2ccccc2Cc2ccccc21,CHEMBL365249,7.07
+COc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2=O,CHEMBL427516,9.05
+CC(=O)NCCC1Cc2ccccc2Cc2ccccc21,CHEMBL364835,7.05
+COc1ccc2c(c1)C(CCNC(C)=O)Cc1ccccc1C2,CHEMBL187160,7.4
+CCC(=O)NCCN1c2ccccc2CCc2ccccc21,CHEMBL360600,6.7
+CC(=O)NCCN1c2ccccc2C=Cc2ccccc21,CHEMBL362133,6.9
+CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc21,CHEMBL364806,7.42
+CC(=O)NCC(=O)N1c2ccccc2C=Cc2ccccc21,CHEMBL364845,4.96
+COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2,CHEMBL187525,8.01
+CCC(=O)NCc1cc2c(OC)cccc2n1Cc1c(C)cccc1C,CHEMBL195074,5.22
+CCC(=O)NCc1cc2c(OC)cccc2n1C(=O)c1ccc(Cl)cc1,CHEMBL372243,5.74
+CCC(=O)NCc1cc2c(OC)cccc2n1S(=O)(=O)c1ccccc1,CHEMBL366004,6.54
+Cn1cc(C2(CNC(=O)C3CCC3)CCC2)c2cc(O)ccc21,CHEMBL206686,5.63
+Cn1cc(C2(CNC(=O)C3CC3)CCC2)c2cc(O)ccc21,CHEMBL208802,5.84
+CCCC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL379096,5.76
+CCC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL426861,5.98
+CC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1,CHEMBL379504,5.9
+COc1ccc2[nH]cc(C3(CNC(=O)C4CCC4)CCC3)c2c1,CHEMBL377809,7.21
+COc1ccc2[nH]cc(C3(CNC(=O)C4CC4)CCC3)c2c1,CHEMBL206790,7.54
+CCCC(=O)NCC1(c2c[nH]c3ccc(OC)cc23)CCC1,CHEMBL207676,7.24
+CCC(=O)NCC1(c2c[nH]c3ccc(OC)cc23)CCC1,CHEMBL207420,7.49
+COc1ccc2[nH]cc(C3(CNC(C)=O)CCC3)c2c1,CHEMBL207960,8.48
+COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCCC1)cn2C,CHEMBL207959,6.39
+COc1ccc2c(c1)c(C1(CNC(=O)C3CC3)CCCC1)cn2C,CHEMBL206471,6.59
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1,CHEMBL206419,7.07
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1,CHEMBL382555,6.99
+COc1ccc2c(c1)c(C1(CNC(C)=O)CCCC1)cn2C,CHEMBL379403,7.18
+COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCC1)cn2C,CHEMBL382050,5.42
+COc1ccc2c(c1)c(C1(CNC(=O)C3CC3)CCC1)cn2C,CHEMBL382579,6.86
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1,CHEMBL207625,9.07
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1,CHEMBL424693,8.36
+COc1ccc2c(c1)c(C1(CNC(C)=O)CCC1)cn2C,CHEMBL379413,7.14
+CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1,CHEMBL209712,8.12
+CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1,CHEMBL377871,7.41
+COc1ccc2c(c1)c(C1(CNC(C)=O)CC1)cn2C,CHEMBL209711,7.05
+COc1ccc2c(c1)c(C(C)(C)CNC(=O)C1CCC1)cn2C,CHEMBL382439,7.48
+CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12,CHEMBL207745,9.13
+CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12,CHEMBL426127,8.94
+COc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C,CHEMBL208307,8.89
+COc1ccc2c(c1)c(C(C)CNC(C)=O)cn2C,CHEMBL210791,9.42
+CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12,CHEMBL377101,9.33
+CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12,CHEMBL379616,8.99
+COc1ccc2[nH]cc(C(C)(C)CNC(C)=O)c2c1,CHEMBL206472,8.56
+COc1ccc2[nH]cc(C(C)CNC(C)=O)c2c1,CHEMBL210147,8.53
+CCCC(=O)NCCC(c1ccccc1)c1cccc(OC)c1,CHEMBL374075,8.58
+CCC(=O)NCCC(c1ccccc1)c1cccc(OC)c1,CHEMBL218774,8.3
+COc1cccc(C(CCNC(C)=O)c2ccccc2)c1,CHEMBL218773,8.27
+CC(=O)NCCC(c1ccccc1)c1ccccc1,CHEMBL219177,6.85
+COc1cccc(C(=CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL218225,9.56
+COc1cccc(/C(=C/CNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL218065,9.28
+COc1cccc(/C(=C\CNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL218709,8.81
+COc1cccc(/C(=C\CNC(C)=O)c2ccccc2)c1,CHEMBL425644,8.6
+O=C(NCC=C(c1ccccc1)c1ccccc1)C1CCC1,CHEMBL426168,7.88
+CC(=O)NCC=C(c1ccccc1)c1ccccc1,CHEMBL219076,7.94
+COc1ccc(Cc2ccccc2)c(CCNC(C)=O)c1,CHEMBL216158,8.22
+CCC(=O)NCCc1cccc(Cc2ccccc2)c1,CHEMBL215252,6.18
+CC(=O)NC/C(=C/c1ccccc1)c1ccccc1,CHEMBL218926,6.28
+CC(=O)NC/C(=C\c1ccccc1)c1ccccc1,CHEMBL218808,6.83
+CCC(=O)NCC(Cc1ccccc1)c1cccc(OC)c1,CHEMBL220136,6.72
+COc1cccc(C(CNC(C)=O)Cc2ccccc2)c1,CHEMBL219127,6.69
+CC(=O)NCC(Cc1ccccc1)c1ccccc1,CHEMBL376693,6.38
+COc1ccc2[nH]cc(CCNC(=O)CCCCCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1,CHEMBL388591,6.24
+COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1,CHEMBL225302,5.14
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL225301,7.7
+CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL390944,8.32
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL220091,7.36
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL388141,7.81
+COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226171,8.11
+COc1ccc2[nH]c(C(=O)OCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL387655,8.1
+COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226163,7.19
+COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226162,7.2
+COc1ccc2[nH]c(C(=O)OCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,CHEMBL226112,7.84
+CCCC(=O)NCC1(c2cn3c4c(cccc24)CCC3)CCCCC1,CHEMBL243003,6.39
+CC(=O)NCC1(c2cn3c4c(cccc24)CCC3)CCCCC1,CHEMBL243002,6.63
+O=C(NCCCc1cn2c3c(cccc13)CCC2)C1CCC1,CHEMBL242786,6.73
+O=C(NCCCc1cn2c3c(cccc13)CCC2)C1CC1,CHEMBL242573,7.15
+CCCC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL244472,7.93
+CCC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL244263,7.76
+CC(=O)NCCCc1cn2c3c(cccc13)CCC2,CHEMBL241928,7.02
+COc1cc(C)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL231872,8.76
+CCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12,CHEMBL395221,8.96
+CCCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12,CHEMBL391350,9.17
+COc1cc(C)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL392421,8.81
+CCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12,CHEMBL233516,8.58
+CCCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12,CHEMBL392422,8.87
+COc1cc(Br)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL233728,9.17
+CCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12,CHEMBL233729,9.27
+CCCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12,CHEMBL233308,9.45
+COc1cc(Br)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL233309,8.88
+CCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12,CHEMBL233310,8.64
+CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12,CHEMBL394406,8.67
+COc1cc(-c2ccccc2)c2[nH]cc(CCNC(C)=O)c2c1,CHEMBL233311,5.52
+CCC(=O)NCCc1c[nH]c2c(-c3ccccc3)cc(OC)cc12,CHEMBL233517,6.21
+CCCC(=O)NCCc1c[nH]c2c(-c3ccccc3)cc(OC)cc12,CHEMBL394408,6.06
+COc1cc(-c2ccccc2)c2c(c1)c(CCNC(C)=O)cn2C,CHEMBL233740,6.34
+CCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12,CHEMBL233945,6.17
+CCCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12,CHEMBL441916,6.07
+COc1cccc(N(CCN(C)C(C)=O)c2ccccc2)c1,CHEMBL235334,7.28
+COc1cccc(N(CCNC(=O)C2CCC2)c2ccccc2)c1,CHEMBL238049,8.43
+CCCC(=O)NCCN(c1ccccc1)c1cccc(OC)c1,CHEMBL279401,9.98
+COc1cccc(N(C)CCCNC(C)=O)c1,CHEMBL235329,8.7
+COc1cccc(NCCNC(C)=O)c1,CHEMBL398017,8.13
+COc1cccc(N(C)CCNC(C)=O)c1,CHEMBL237236,9.19
+CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1,CHEMBL235328,9.7
+COc1cccc(N(CCNC(C)=O)c2ccccc2)c1,CHEMBL235327,10.18
+CC(=O)NCCN(c1ccccc1)c1ccccc1,CHEMBL237840,8.41
+COc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1,CHEMBL395437,9.12
+COc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1,CHEMBL237234,9.95
+COc1ccc(N(CCNC(C)=O)c2ccccc2)cc1,CHEMBL394676,7.56
+COc1ccc(N(CCNC(C)=O)c2cccc(OC)c2)cc1,CHEMBL394430,9.06
+COc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL394273,10.56
+CC(=O)NCCc1c2n(c3ccccc13)CC1Cc3ccccc3N1C2,CHEMBL455909,5.77
+COc1ccc2c(c1)CC1Cn3c(c(CCNC(C)=O)c4cc(OC)ccc43)CN21,CHEMBL515696,6.39
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2CC2Cc3ccccc3N2C1,CHEMBL514413,7.2
+COc1ccc2[nH]c(CN3c4ccccc4CC3CO)c(CCNC(C)=O)c2c1,CHEMBL498494,7.44
+COc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1,CHEMBL498493,8.11
+COc1ccc2c(c1)CC(CO)N2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL525374,7.47
+COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@@H](c1ccccc1)C2,CHEMBL514280,9.05
+COc1cccc(C(CCNC(C)=O)c2ccc3ccccc3c2)c1,CHEMBL457128,9.96
+COc1ccc2[nH]c(CN3c4ccccc4CC3C)c(CCNC(C)=O)c2c1,CHEMBL508552,7.85
+COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1,CHEMBL514415,8.945
+CCCC(=O)NCCc1c(CN2c3ccccc3CC2C)[nH]c2ccc(OC)cc12,CHEMBL457138,8.095
+CCC(=O)NCCc1c(CN2CCc3ccccc32)[nH]c2ccc(OC)cc12,CHEMBL457352,7.84
+COc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O,CHEMBL515856,8.15
+COc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1,CHEMBL514427,7.825
+COc1ccc2[nH]c(CN3CCc4cc(Br)ccc43)c(CCNC(C)=O)c2c1,CHEMBL457807,7.52
+COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1,CHEMBL514904,7.605
+COc1ccc2[nH]c(CN3CCc4ccc([N+](=O)[O-])cc43)c(CCNC(C)=O)c2c1,CHEMBL513933,7.58
+COc1ccc2[nH]c(CN3CCc4ccc(N)cc43)c(CCNC(C)=O)c2c1,CHEMBL456505,6.93
+COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1,CHEMBL445427,6.83
+COc1ccc2cc(-c3ccccc3)cc(CCNC(C)=O)c2c1,CHEMBL453138,9.43
+COc1ccc2cc(-c3ccccc3CO)cc(CCNC(C)=O)c2c1,CHEMBL517502,8.73
+COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1,CHEMBL476131,9.44
+COc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1,CHEMBL476132,7.64
+CCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12,CHEMBL518113,9.28
+CCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12,CHEMBL476341,9.55
+COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(=O)C3CCC3)c2c1,CHEMBL478438,7.32
+COCc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL491403,9.02
+COc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1,CHEMBL491604,9.38
+COC(=O)c1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL491605,9.19
+COc1ccc2cc(-c3cccc(C(=O)O)c3)cc(CCNC(C)=O)c2c1,CHEMBL490594,7.36
+COc1ccc2cc(-c3cccc(CBr)c3)cc(CCNC(C)=O)c2c1,CHEMBL490595,9.25
+COc1ccc2cc(-c3cccc(CI)c3)cc(CCNC(C)=O)c2c1,CHEMBL477833,9.15
+COc1ccc2cc(-c3cccc(CN)c3)cc(CCNC(C)=O)c2c1,CHEMBL477834,8.47
+COc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1,CHEMBL490188,9.57
+CNc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL477835,9.29
+COc1ccc2cc(-c3cccc(N(C)C)c3)cc(CCNC(C)=O)c2c1,CHEMBL478217,9.03
+CCOC(=O)Nc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1,CHEMBL478218,8.08
+COc1ccc2cc(-c3cccc(NC(C)=O)c3)cc(CCNC(C)=O)c2c1,CHEMBL489170,8.12
+COc1ccc2[nH]c(CN(C)c3ccc(C(F)(F)F)cc3)c(CCNC(C)=O)c2c1,CHEMBL563847,7.2
+COc1ccc(N(C)Cc2[nH]c3ccc(OC)cc3c2CCNC(C)=O)cc1,CHEMBL552002,8.05
+COc1cccc(CCCNC(C)=O)c1,CHEMBL50398,9.12
+CCC(=O)NCCCc1cccc(OC)c1,CHEMBL297947,8.15
+COc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1,CHEMBL1091160,10.33
+COc1ccc(OCc2ccccc2)c(CCCNC(=O)c2ccccc2)c1,CHEMBL1088826,5.64
+COc1ccc(O)c(CCCNC(C)=O)c1,CHEMBL1092062,7.34
+COc1ccc(OC)c(CCCNC(C)=O)c1,CHEMBL1092400,7.58
+CCOc1ccc(OC)cc1CCCNC(C)=O,CHEMBL1091561,8.8
+CCCOc1ccc(OC)cc1CCCNC(C)=O,CHEMBL1091894,8.67
+COc1ccc(OCCc2ccccc2)c(CCCNC(C)=O)c1,CHEMBL1091895,7.87
+COc1ccc(OCCCc2ccccc2)c(CCCNC(C)=O)c1,CHEMBL1091896,7.14
+COc1ccc(COc2ccc(OC)cc2CCCNC(C)=O)cc1,CHEMBL1092839,7.55
+COc1ccc(OCc2ccc(Br)cc2F)c(CCCNC(C)=O)c1,CHEMBL1091997,6.99
+COc1cc(COc2ccc(OC)cc2CCCNC(C)=O)cc(OC)c1,CHEMBL1091998,10.49
+COc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1,CHEMBL1091716,8.79
+COc1cc(CCCNC(C)=O)ccc1OCc1ccccc1,CHEMBL1092647,7.16
+CCC(=O)NCCCc1ccc(OCc2ccccc2)c(OC)c1,CHEMBL1092911,6.92
+COc1cc(CCCNC(C)=O)ccc1O,CHEMBL1092047,7.9
+COc1cccc(COc2ccc(CCCNC(C)=O)cc2OC)c1,CHEMBL1093457,6.98
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12,CHEMBL1094212,8.19
+COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1095196,8.74
+O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1,CHEMBL1097314,7.87
+C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12,CHEMBL1097315,7.96
+COC(=O)c1ccc(-c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc2)cc1,CHEMBL1094545,7.72
+C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1095195,8.07
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc(C(C)C(=O)O)ccc4c3)cc12,CHEMBL1095505,7.23
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4c(c3)C(CCNC(C)=O)CCC4)cc12,CHEMBL1095831,8.17
+COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1,CHEMBL1095197,8.37
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4occ(CCNC(C)=O)c4c3)cc12,CHEMBL1097496,7.86
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4scc(CCNC(C)=O)c4c3)cc12,CHEMBL1097497,7.77
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12,CHEMBL1095832,7.95
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12,CHEMBL1096991,7.93
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc12,CHEMBL1094546,7.29
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(=O)O)c4c3)cc12,CHEMBL1095504,7.34
+CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12,CHEMBL1095522,7.07
+CC(=O)N[C@@H](C)CSc1ccccc1,CHEMBL1223347,5.36
+CC(=O)N[C@H](C)CSc1ccccc1,CHEMBL1223346,4.19
+CC(=O)NC(C)CSc1ccccc1,CHEMBL1223345,5.17
+COc1cccc(SC[C@H](C)NC(C)=O)c1,CHEMBL1223281,6.58
+COc1cccc(SC[C@@H](C)NC(C)=O)c1,CHEMBL1223280,4.91
+COc1cccc(SCC(C)NC(C)=O)c1,CHEMBL1223279,5.88
+COc1cccc(OC[C@H](C)NC(C)=O)c1,CHEMBL1223278,6.52
+COc1cccc(OC[C@@H](C)NC(C)=O)c1,CHEMBL1223277,5.31
+COc1cccc(OCC(C)NC(C)=O)c1,CHEMBL1223276,6.46
+CC(=O)N[C@@H](C)COc1ccccc1,CHEMBL1223275,5.34
+CC(=O)N[C@H](C)COc1ccccc1,CHEMBL1223274,4.27
+CC(=O)NC(C)COc1ccccc1,CHEMBL1223273,5.42
+CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1,CHEMBL1223198,8.22
+CCCC(=O)NC[C@@H](C)Sc1cccc(OC)c1,CHEMBL1223197,7.58
+CCCC(=O)NCC(C)Sc1cccc(OC)c1,CHEMBL1223196,8.3
+CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1,CHEMBL1223195,8.56
+CCCC(=O)NC[C@@H](C)Oc1cccc(OC)c1,CHEMBL1223194,7.17
+CCCC(=O)NCC(C)Oc1cccc(OC)c1,CHEMBL1223193,8.43
+COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1,CHEMBL1223192,8.17
+COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1,CHEMBL1223191,7.31
+COc1cccc(SC(C)CNC(=O)C2CC2)c1,CHEMBL1223131,8.01
+COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1,CHEMBL1223130,8.36
+COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1,CHEMBL1223129,7.68
+COc1cccc(OC(C)CNC(=O)C2CC2)c1,CHEMBL1223128,7.89
+COc1ccccc1SCCNC(C)=O,CHEMBL1223127,6.3
+COc1ccc(SCCNC(C)=O)cc1,CHEMBL1223126,5.62
+CC(=O)NCCSc1ccccc1,CHEMBL1223125,6.47
+COc1cccc(SCCNC(C)=O)c1,CHEMBL1223124,7.4
+CC(=O)NCCOc1ccccc1,CHEMBL1223056,5.26
+COc1ccccc1OCCNC(C)=O,CHEMBL1223055,5.18
+COc1ccc(OCCNC(C)=O)cc1,CHEMBL1223054,4.34
+COc1cccc(S[C@@H](C)CNC(C)=O)c1,CHEMBL1223053,8.15
+COc1cccc(S[C@H](C)CNC(C)=O)c1,CHEMBL1223052,6.18
+COc1cccc(SC(C)CNC(C)=O)c1,CHEMBL1223051,6.58
+COc1cccc(O[C@@H](C)CNC(C)=O)c1,CHEMBL1223050,8.33
+COc1cccc(O[C@H](C)CNC(C)=O)c1,CHEMBL1223049,6.96
+COc1cccc(OC(C)CNC(C)=O)c1,CHEMBL1222986,8.02
+CC(=O)NCC(C)Oc1ccccc1,CHEMBL1222985,5.94
+COc1ccccc1OC(C)CNC(C)=O,CHEMBL1222984,5.29
+COc1ccc(OC(C)CNC(C)=O)cc1,CHEMBL1222983,4.9
+CCC(=O)NCCn1ccc2ccc(OC)nc21,CHEMBL1760946,9.55
+COc1ccc2[nH]cc(CCNC(C)=O)c2n1,CHEMBL1760944,9.467
+CCCC(=O)NCCn1ccc2ccc(OC)nc21,CHEMBL1760947,9.52
+COc1ccc2ccn(CCNC(C)=O)c2n1,CHEMBL1760945,9.22
+COc1ccc2c3c(n(CCNC(C)=O)c2n1)CCCC3,CHEMBL1760957,9.17
+COc1ccc2c(I)cn(CCNC(C)=O)c2n1,CHEMBL1760956,8.3
+COc1ccc2c(C(=O)C(F)(F)F)cn(CCNC(C)=O)c2n1,CHEMBL1760955,7.52
+COc1cnc2[nH]cc(CCNC(C)=O)c2c1,CHEMBL137969,6.93
+COc1ccc2c(CN3CCOCC3)cn(CCNC(C)=O)c2n1,CHEMBL1760951,6.26
+COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1,CHEMBL1760950,6.13
+COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1,CHEMBL1760952,6.03
+CNCc1cn(CCNC(C)=O)c2nc(OC)ccc12,CHEMBL1760954,5.96
+COc1ccc2c(CN(C)Cc3ccccc3)cn(CCNC(C)=O)c2n1,CHEMBL1760949,5.4
+COc1ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cn(CCNC(C)=O)c2n1,CHEMBL1760953,5.13
+CC(=O)NCCC1=C(c2ccc(C(C)(C)C)cc2)Cc2ccc3c(c21)CCO3,CHEMBL1774530,9.11
+CC(=O)NCCC1=C(c2cccc(C(C)C)c2)Cc2ccc3c(c21)CCO3,CHEMBL1774529,10.96
+CC(=O)NCCC1=C(c2ccccc2OC(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774528,9.47
+COc1ccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)cc1,CHEMBL1774527,10.43
+COc1ccccc1C1=C(CCNC(C)=O)c2c(ccc3c2CCO3)C1,CHEMBL1774525,10.7
+CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3,CHEMBL1774524,10.47
+CC(=O)NCCC1=C(Br)Cc2ccc3c(c21)CCO3,CHEMBL1774521,10.85
+CC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3,CHEMBL1774519,10.92
+CCNC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774517,10.08
+CC(C)C1=C(CCNC(=O)C(F)(F)F)c2c(ccc3c2CCO3)C1,CHEMBL1774516,11.0
+CC(C)C1=C(CCNC(=O)C2CC2)c2c(ccc3c2CCO3)C1,CHEMBL1774515,10.46
+CCC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774514,10.96
+CC(=O)NCCC1=C(C(C)C)Cc2ccc3c(c21)CCO3,CHEMBL1774513,10.74
+CC(=O)NCCC1=CCc2ccc3c(c21)CCO3,CHEMBL1774512,10.66
+C=CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779810,9.62
+CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779804,9.06
+CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779805,8.36
+CC(=O)NCCc1csc2ccc(F)cc12,CHEMBL1779803,8.31
+O=C(CBr)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779807,8.28
+C=CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779809,7.97
+O=C(CCCCl)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12,CHEMBL1779808,7.61
+O=C(NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12)C1CCC1,CHEMBL1779806,6.71
+CC(=O)NCCc1c(-c2ccccc2)nc2ccc3c(n12)CCO3,CHEMBL1802020,8.21
+CC(=O)NCCn1c(-c2ccccc2)nc2ccc3c(c21)CCO3,CHEMBL1802021,8.35
+CC(=O)NCCc1c(-c2ccccc2)nn2ccc3c(c12)CCO3,CHEMBL1802022,10.07
+CC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3,CHEMBL1802023,9.28
+CCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3,CHEMBL1802024,9.72
+CCc1nn2ccc3c(c2c1CCNC(C)=O)CCO3,CHEMBL1802025,9.38
+CCC(=O)NCCc1c(CC)nn2ccc3c(c12)CCO3,CHEMBL1802026,9.66
+CC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3,CHEMBL1802027,9.55
+CCC(=O)NCCc1c(C2CC2)nn2ccc3c(c12)CCO3,CHEMBL1802028,9.85
+CC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3,CHEMBL1802029,9.03
+CCC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3,CHEMBL1802030,9.48
+CC(=O)NCCN(C)c1cccc(OCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813174,5.68
+CC(=O)NCCN(C)c1cccc(OCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813319,6.0
+CC(=O)NCCN(C)c1cccc(OCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813320,6.09
+CC(=O)NCCN(C)c1cccc(OCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813321,6.74
+CC(=O)NCCN(C)c1cccc(OCCCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813322,7.03
+CC(=O)NCCN(C)c1cccc(OCCCCCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,CHEMBL1813323,7.39
+CC(=O)NCCN(C)c1cccc(OCCCCCCOc2ccccc2)c1,CHEMBL1813324,6.8
+COc1cccc(N(CCCCCCN(CCNC(C)=O)c2cccc(OC)c2)CCNC(C)=O)c1,CHEMBL1813325,7.44
+COc1cccc(N(CCCCCCCCCCN(CCNC(C)=O)c2cccc(OC)c2)CCNC(C)=O)c1,CHEMBL1813326,6.51
+COc1cccc(N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c2cccc(OC)c2)c1,CHEMBL1813327,6.61
+COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2n1,CHEMBL1823015,9.7
+CNC(=O)CCc1c(-c2ccccc2)nc2ccc(OC)cn12,CHEMBL1823016,7.23
+COc1ccc2nc(-c3ccccc3)c(CCNC(C)=O)n2c1,CHEMBL1823017,8.1
+COc1ccc2nc(-c3ccccc3)c(CC(CO)NC(C)=O)n2c1,CHEMBL1823018,5.1
+COc1ccc(OC)c([C@@H]2C[C@H]2NC(C)=O)c1,CHEMBL2314263,7.07
+CNC(=O)N/C=C/c1cccc2ccccc12,CHEMBL2314254,7.82
+CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12,CHEMBL2314250,8.17
+CNC(=O)N/C=C/c1c(OC)ccc2ccccc12,CHEMBL2314258,8.19
+COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O,CHEMBL2314252,8.59
+CC(=O)N/C=C/c1cccc2ccccc12,CHEMBL229015,8.85
+COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1,CHEMBL2314251,9.15
+CNC(=O)N/C=C/c1c(OC)ccc2ccc(OC)cc12,CHEMBL2314260,9.52
+COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1,CHEMBL2314253,9.7
+COc1ccc2ccccc2c1/C=C/NC(C)=O,CHEMBL2314257,10.05
+COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1,CHEMBL2314259,10.15
+COc1ccc2cccc(/C=C/NC(C)=O)c2c1,CHEMBL2314255,10.52
+CCC(=O)NCCCc1cc(OC)ccc1-c1cccc(OC)c1,CHEMBL2326203,9.47
+CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1,CHEMBL2326202,8.47
+CCC(=O)NCCCc1cc(OC)ccc1CCc1cccc(OC)c1,CHEMBL2326201,9.26
+CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1,CHEMBL2326200,10.14
+COc1ccc([CH+]C=c2ccc3n2[B-](F)(F)n2c(c(CCNC(C)=O)c4cc(OC)ccc42)C=3)cc1,CHEMBL3109560,7.59
+COc1ccc(C2=[N+]3C(=Cc4c(CCNC(C)=O)c5cc(OC)ccc5n4[B-]3(F)F)C=C2)cc1,CHEMBL3109561,6.5
+CCC1=C(C)C2=Cc3c(CCNC(C)=O)c4cc(OC)ccc4n3[B-](F)(F)[N+]2=C1C,CHEMBL3109562,7.02
+COc1ccc2c(c1)c(CCNC(C)=O)c1n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C1,CHEMBL3109563,8.0
+COc1ccc2[nH]c(CN3CCc4ccccc4C3)c(CCNC(C)=O)c2c1,CHEMBL3219323,7.67
+COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1,CHEMBL3219324,8.24
+COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(=O)C3CCC3)c2c1,CHEMBL3219325,7.09
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(C)=O)c2c1,CHEMBL3219326,8.65
+CCC(=O)NCCc1c(CN2Cc3ccccc3C2)[nH]c2ccc(OC)cc12,CHEMBL3219327,8.43
+C=CCC(=O)NCCc1c(CN2Cc3ccccc3C2)[nH]c2ccc(OC)cc12,CHEMBL3219328,8.03
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CC3)c2c1,CHEMBL3219329,7.47
+COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CCC3)c2c1,CHEMBL3219330,6.7
+COc1cc2c(CCNC(C)=O)c(C)[nH]c2cc1Cl,CHEMBL3260979,8.66
+COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl,CHEMBL34730,9.7
+COc1cc2[nH]cc(CCNC(C)=O)c2cc1OC,CHEMBL124699,8.46
+COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1,CHEMBL339105,9.6
+COc1ccc2[nH]cc(C3CCCN(C(C)=O)C3)c2c1,CHEMBL3260983,9.1
+CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1,CHEMBL3260987,7.04
+CCOC(=O)c1[nH]c2ccc(OC)c3c2c1[C@@H](CNC(C)=O)CC3,CHEMBL3260982,9.54
+CCCCCCOc1ccc2c(c1)C(CCNC(C)=O)CCO2,CHEMBL3260984,7.605
+CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12,CHEMBL3260985,7.31
+CC(=O)NCCc1c[nH]c2ccc(OCCCOc3ccccc3)cc12,CHEMBL3260986,7.06
+CC(=O)NCCc1cccc2ccc(-c3ccc4cccc(CCNC(C)=O)c4c3)cc12,CHEMBL1097525,6.61
+CCN(CC)C(=O)CN1CCCC2Cc3cc4c(cc3C21)OCO4,CHEMBL3329377,6.42
+CCNC(=O)N1CCCC2Cc3cc(Cl)c(OC)cc3C21,CHEMBL3329390,6.72
+C#CCNC(=O)Cc1c[nH]c2ccc(OC)cc12,CHEMBL3580907,8.42
+C#CCNC(=O)CCc1c[nH]c2ccc(OC)cc12,CHEMBL3580908,9.0
+C=CCNC(=O)Cc1c[nH]c2ccc(OC)cc12,CHEMBL3580909,8.31
+C=CCNC(=O)CCc1c[nH]c2ccc(OC)cc12,CHEMBL3580910,9.35
+COc1ccc2[nH]cc(CCc3ncc(C)o3)c2c1,CHEMBL3580912,6.3
+COc1ccc2[nH]cc(Cc3nc(C)no3)c2c1,CHEMBL3580913,7.36
+COc1ccc2[nH]cc(Cc3nnc(C)o3)c2c1,CHEMBL3580915,7.8
+COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1,CHEMBL3580916,6.72
+COc1ccc2[nH]cc(CCc3nnco3)c2c1,CHEMBL3580917,7.17
+COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1,CHEMBL3580918,6.8
+COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1,CHEMBL3580919,8.4
+COc1ccc2[nH]cc(Cc3n[nH]c(=S)o3)c2c1,CHEMBL3580920,6.27
+COc1ccc2[nH]cc(CCc3n[nH]c(=S)o3)c2c1,CHEMBL3580921,6.28
+COc1ccc2[nH]cc(Cc3n[nH]c(=O)n3C)c2c1,CHEMBL3580922,6.25
+CCn1c(Cc2c[nH]c3ccc(OC)cc23)n[nH]c1=S,CHEMBL3580924,6.66
+CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1,CHEMBL3580926,7.77
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.8
+COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1,CHEMBL3628489,8.47
+COc1ccc2cccc(CCNC(=O)C(F)F)c2c1,CHEMBL1946221,9.07
+COc1ccc2cccc(CCNC(=O)C(F)(F)F)c2c1,CHEMBL322339,8.725
+COc1ccc2cccc(CCNC(=O)C(Cl)Cl)c2c1,CHEMBL3742090,8.725
+CC(=O)NCCc1cccc2ccc(OCCCc3ccccc3)cc12,CHEMBL3739824,7.86
+CC(=O)NCCc1cccc2ccc(OCCCOc3ccccc3)cc12,CHEMBL3740052,7.36
+CC(=O)NCCc1cccc2ccc(OCCCCc3ccccc3)cc12,CHEMBL3741561,8.05
+O=C(NCCc1c[nH]c2ccc(OCCCOc3ccccc3)cc12)C(F)F,CHEMBL3739674,8.11
+O=C(NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(=O)C(F)F)c4c3)cc12)C(F)F,CHEMBL3741890,8.09
+O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C(F)F)c4c3)cc12)C(F)F,CHEMBL3740377,7.83
+COc1ccc2ccc3occ(CNC(C)=O)c3c2c1,CHEMBL3758225,9.15
+COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1,CHEMBL3759802,10.05
+COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1,CHEMBL3758717,9.4
+COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1,CHEMBL3758720,8.77
+COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1,CHEMBL3759816,7.82
+COc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1,CHEMBL3759606,7.88
+COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1,CHEMBL3758679,9.22
+COc1ccc2ccc3oc(CCNC(=O)C4CC4)cc3c2c1,CHEMBL3759859,7.96
+COc1ccc2ccc3occ(CNC(=O)C(C)C)c3c2c1,CHEMBL3759054,7.62
+COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1,CHEMBL3759160,8.68
+COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1,CHEMBL3759084,9.15
+CCNC(=O)NCCc1coc2ccc3ccc(OC)cc3c12,CHEMBL3760044,6.65
+CCNC(=O)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759080,8.38
+CCNC(=O)NCCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759180,7.34
+CNC(=S)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759372,9.1
+CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759677,8.15
+COc1cc2c(CCNC(C)=O)c[nH]c2cn1,CHEMBL3765249,7.46
+COc1cc2c(CCNC(C)=O)coc2cn1,CHEMBL3763247,7.23
+COc1ccc2occ(CCNC(C)=O)c2n1,CHEMBL3763281,8.92
+COc1ccc2oc(I)c(CCNC(C)=O)c2n1,CHEMBL3765401,10.1
+COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2n1,CHEMBL3765540,9.85
+COc1ccc2oc(-c3ccc(F)cc3)c(CCNC(C)=O)c2n1,CHEMBL3763503,10.52
+COc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1,CHEMBL3764421,8.05
+COc1ccc2oc(-c3cccc4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3764879,8.89
+COc1ccc2oc(-c3ccc4ccccc4c3)c(CCNC(C)=O)c2n1,CHEMBL3764765,10.05
+COc1ccc2oc(-c3c4ccccc4cc4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3764063,8.3
+COc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1,CHEMBL3763537,8.3
diff --git a/chembl_200/CHEMBL1974.csv b/chembl_200/CHEMBL1974.csv
new file mode 100644
index 0000000000000000000000000000000000000000..165848820d59526bedb859097576a91eacf55157
--- /dev/null
+++ b/chembl_200/CHEMBL1974.csv
@@ -0,0 +1,489 @@
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,9.1
+O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,CHEMBL387385,6.12
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,8.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,7.7
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL374044,9.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,7.6
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,9.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,8.6
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,7.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,8.6
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,8.8
+O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL494221,5.64
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1,CHEMBL493169,5.85
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.4
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,8.5
+Cc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O,CHEMBL551140,5.4
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,6.5
+Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL583042,5.85
+CC(C)[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1,CHEMBL570217,6.8
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.8
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(OC)c2)cc1,CHEMBL1080902,7.18
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,CHEMBL1076721,6.89
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,CHEMBL1086736,6.54
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.9
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.9
+CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1,CHEMBL1765770,7.96
+CN(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1,CHEMBL1765772,8.1
+O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1,CHEMBL1765097,7.49
+CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ccn1,CHEMBL1765774,8.22
+CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1738829,8.3
+CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1,CHEMBL1765775,7.7
+CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1,CHEMBL1765776,7.1
+CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1765777,7.16
+O=C(Nc1cc(-c2cccc(NC3CC3)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1,CHEMBL1765778,6.92
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1765779,6.96
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1,CHEMBL1765780,5.98
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765782,6.85
+CNc1cc(F)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765783,7.1
+CNc1cc(C#N)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765784,6.39
+COc1ccc(Nc2nc(N)n(-c3ccccc3)n2)cc1OC,CHEMBL1835660,7.07
+COc1cc(Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC,CHEMBL1835661,7.38
+COc1ccc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc1OC,CHEMBL1835662,7.66
+COc1ccc(Nc2nc(N)n(-c3ccc(C(=O)O)cc3)n2)cc1OC,CHEMBL1835663,7.62
+COc1ccc(Nc2nc(N)n(-c3cccc(C#N)c3)n2)cc1OC,CHEMBL1835664,6.68
+COc1cc(Nc2nc(N)n(-c3cccc(N4CCOCC4)c3)n2)cc(OC)c1OC,CHEMBL1835736,7.96
+COc1cc(Nc2nc(N)n(C3CCCCC3)n2)cc(OC)c1OC,CHEMBL1835737,5.6
+COc1ccc(Nc2nc(N)n(-c3ccccc3Cl)n2)cc1OC,CHEMBL1835738,6.03
+COc1ccc(Nc2nc(N)n(-c3ccccc3F)n2)cc1OC,CHEMBL1835739,7.28
+COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC,CHEMBL1835740,8.55
+COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1,CHEMBL1835741,7.82
+Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1,CHEMBL1835742,7.74
+COc1ccc(N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1,CHEMBL1833992,8.22
+Nc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1,CHEMBL1835743,7.92
+N#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1,CHEMBL1835744,7.82
+COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1,CHEMBL1835745,7.66
+COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1,CHEMBL1835746,9.0
+Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1ccccn1,CHEMBL1835747,8.3
+CN1CCN(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1,CHEMBL1835748,8.1
+Nc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1,CHEMBL1835749,8.3
+Nc1nc(Nc2ccc(C(O)CCCN3CCOCC3)cc2)nn1-c1ccccn1,CHEMBL1835750,8.15
+Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)nn1-c1ccccn1,CHEMBL1835751,7.92
+Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1-c1ccccn1,CHEMBL1835863,7.96
+Nc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)nn1-c1ccccn1,CHEMBL1835864,8.0
+CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1,CHEMBL1835865,7.92
+CC(=O)Nc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1,CHEMBL1835866,8.05
+CN1CCC(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1,CHEMBL1835867,8.7
+CC(=O)N1CCC(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1,CHEMBL1835869,8.3
+Nc1nc(Nc2ccc([C@H]3CC[C@@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835871,8.3
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,7.2
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,7.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,8.5
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.4
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,6.7
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,8.1
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.4
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1,CHEMBL1971141,8.0
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,8.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1988778,8.5
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,6.6
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.9
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.6
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.9
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.6
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.4
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.8
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.2
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,7.1
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.5
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,5.4
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.8
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,7.3
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.7
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,8.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.2
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.1
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.0
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,8.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.5
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.4
+Cc1[nH]nc2c1C(c1ccccc1I)C(C#N)C(=N)O2,CHEMBL1979318,6.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,8.7
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,6.2
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.8
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,8.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,9.0
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.05
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.0
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1,CHEMBL1965033,6.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,8.4
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,5.6
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.7
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,9.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.8
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,8.3
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.6
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.9
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,5.8
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,6.3
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,7.7
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.7
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,6.0
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,7.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,6.7
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,8.0
+O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL326282,5.6
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.9
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,8.1
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,8.0
+c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)cc1,CHEMBL1998953,5.9
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.5
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.8
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,6.2
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.2
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.0
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,7.7
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.5
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,8.8
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.7
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,7.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.1
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,6.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,7.2
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,8.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.7
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,8.3
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.4
+CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C,CHEMBL1472492,5.9
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.5
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccc(Br)cc34)[nH]c2c1,CHEMBL1965437,5.6
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,7.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.9
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.7
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.0
+NC(=O)c1cccc2[nH]c(-c3cccc(NCCN4CCCC4)n3)nc12,CHEMBL1985309,5.9
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.7
+Cc1cc(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1993996,8.8
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,8.2
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,8.1
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.9
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.6
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.3
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.2
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.2
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,8.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.9
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.8
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.7
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,7.6
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.6
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.7
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,6.1
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,8.8
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,6.0
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,8.2
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,5.7
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.2
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,8.6
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,5.7
+CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2006631,5.7
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,9.4
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.4
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,5.9
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,5.6
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.0
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.7
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,8.1
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.5
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.3
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,7.5
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,9.1
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,6.3
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.8
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.5
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,7.3
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.9
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,5.9
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.1
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,5.8
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.8
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.8
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,8.0
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.3
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.9
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,8.8
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,5.7
+O=c1nc[nH]c2ccc(Br)cc12,CHEMBL562488,4.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.9
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,7.0
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.5
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.5
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.5
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.5
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.5
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,7.0
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.8
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.6
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.8
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1,CHEMBL1985491,8.6
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,5.9
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.0
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,8.3
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.4
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,8.9
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,7.1
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.8
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.5
+CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,CHEMBL1998477,5.6
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.4
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,7.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4n[nH]c(N)c34)cc2)c1,CHEMBL2007266,7.1
+Nc1[nH]nc2c(Cl)cccc12,CHEMBL1980161,5.6
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.4
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.4
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,8.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.5
+O=C(Nc1ccccc1)Nc1ccccn1,CHEMBL143703,5.5
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.1
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,7.1
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.7
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.5
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.8
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,8.5
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.7
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,6.2
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.6
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL271441,9.3
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.3
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,8.5
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.7
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.9
+Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL273187,10.0
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.9
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)ccc1F,CHEMBL1986979,9.1
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,8.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,6.5
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.5
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,7.1
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.9
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.9
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,8.0
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,7.0
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,7.4
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,7.4
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.0
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,5.6
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,7.0
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,6.1
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,7.8
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.3
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,8.4
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.8
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.0
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.9
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.8
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.4
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.3
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.3
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.2
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,5.8
+CCNc1nc(C)c(C=CC(C)(C)c2ccc(C(F)(F)F)cc2)c(NCC)n1,CHEMBL1994214,5.9
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.9
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.5
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.3
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.8
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.7
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1,CHEMBL183844,5.9
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.0
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.1
+c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1,CHEMBL1980163,6.1
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.8
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,8.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,7.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,6.5
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.2
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.3
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.8
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,8.6
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.8
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.6
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,8.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.5
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,8.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,9.4
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.7
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,8.1
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,7.0
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,6.7
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.2
+Nc1ncnc2sccc12,CHEMBL1972934,4.6
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.8
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,6.6
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.6
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,9.0
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,7.6
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,7.6
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,8.7
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,8.4
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,6.0
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.8
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.6
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.0
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1,CHEMBL1992242,6.9
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.9
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,6.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,7.5
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,7.4
+COc1cc(Nc2ncnc3ccc(-c4ccc(CN5CC6C(CO)C6C5)cc4)cc23)ccc1Oc1ccccc1,CHEMBL1999749,6.3
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,6.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,8.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,8.7
+Nc1[nH]nc2c(OCCCn3cccc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL1965387,7.2
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.8
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,4.6
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.9
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,7.2
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,8.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.6
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.6
+c1ccc(C2Cc3cn[nH]c3C2)cc1,CHEMBL1993962,4.8
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.1
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,8.8
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,7.0
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1994638,9.0
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,8.8
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,6.5
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.0
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.5
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.4
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.6
+Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,6.0
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.5
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.0
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.4
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.1
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,7.4
+Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1381197,6.1
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.8
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.2
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.8
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,4.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.7
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,7.0
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.9
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,9.1
+O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O,CHEMBL536151,6.1
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.8
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.1
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,8.4
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,5.9
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,8.0
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,7.3
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.7
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.3
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,8.5
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.6
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.8
+CN(C)c1ccc(Nc2cc(-c3csc(Br)c3)n[nH]2)cc1,CHEMBL1984236,6.6
+COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL202635,5.6
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,5.9
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.8
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,9.0
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,8.0
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,6.2
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,8.2
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.6
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,8.4
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,8.4
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,8.9
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,8.8
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.0
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,6.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,7.9
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,7.0
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.3
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.8
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diff --git a/chembl_200/CHEMBL1978.csv b/chembl_200/CHEMBL1978.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1f2f6722c283090c08c0280d6893ac533462d126
--- /dev/null
+++ b/chembl_200/CHEMBL1978.csv
@@ -0,0 +1,462 @@
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+CC1(C)C[C@@]2(C)C(=CC1=O)CCC1C3CCC(=O)[C@@]3(C)CCC12,CHEMBL421018,8.64
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)OC[C@@H]12,CHEMBL3085491,6.45
+O=c1cc(-c2ccccc2)oc2c1ccc1ccc(O)cc12,CHEMBL329500,8.3
+C[C@]12CCC3C(C1CCC2=O)[C@H](Sc1ccc(NC(=O)CBr)cc1)CC1=CC(=O)CC[C@@]13C,CHEMBL100615,4.48
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C3CS3)C1CCC2=O,CHEMBL282580,7.12
+C=C1C=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CC1,CHEMBL98105,8.33
+C[C@]12CCC3C(CCC4=CC(=O)C=C[C@@]43C)C1CCC(=O)O2,CHEMBL99370,4.46
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C3CO3)C1CCC2=O,CHEMBL28806,7.12
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@]43C3CS3)C1CCC2=O,CHEMBL281433,9.0
+C[C@@]12CCCC1C1CCC3=CC(=O)C=C[C@]3(C)C1CC2,CHEMBL101947,5.96
+C=C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC12,CHEMBL98685,8.52
+CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC12,CHEMBL319108,8.05
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(F)F)C1CCC2=O,CHEMBL98998,9.0
+C[C@]12CCC3C(CCC4=C(N)C(=O)CC[C@@]43C)C1CCC2=O,CHEMBL101323,7.43
+CC12CCCC1C1CCC3=CC(=O)C=CC3(C)C1CC2,CHEMBL349300,6.06
+CC(=O)OCC1(C)CCC2C(CCC3=CC(=O)C=CC32C)C1,CHEMBL158397,4.89
+CC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC32C)C1,CHEMBL158326,4.35
+CCC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC32C)C1,CHEMBL158325,4.01
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(O)CCl)C1CCC2=O,CHEMBL48160,7.2
+C[C@]12CCC3C(CCC4=CC(=O)[C@H]5CC[C@]43C5)C1CCC2=O,CHEMBL300921,7.15
+C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@@H](O)[C@]43C5)C1CCC2=O,CHEMBL297073,6.06
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(O)CI)C1CCC2=O,CHEMBL48460,7.96
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)CBr)C1CCC2=O,CHEMBL416282,6.72
+C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@H](O)[C@]43C5)C1CCC2=O,CHEMBL296617,6.03
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,CHEMBL1571,4.46
+CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCCC2=O,CHEMBL304515,7.99
+CC12CCC3C(C(CCc4ccccc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL269590,6.76
+CC12CCC3C(C(Cc4ccc(N)cc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL9478,7.06
+CC12CCC3C(C(CCc4ccc(N)cc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL266297,7.06
+CC12CCC3C(C(Cc4ccccc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL267433,7.21
+CC12CCC3C(C(c4ccccc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL266788,5.85
+CC12CCC3C(C(CCc4ccc([N+](=O)[O-])cc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL429788,7.02
+CC12CCC3C(C(Cc4ccc([N+](=O)[O-])cc4)=CC4=CC(=O)CCC43C)C1CCC2=O,CHEMBL9400,7.03
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL386630,6.22
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[C@H]3CO3)[C@@H]1CCC2=O,CHEMBL2113269,7.07
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[C@@H]3CO3)[C@@H]1CCC2=O,CHEMBL2113268,6.12
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[C@@H]3CS3)[C@@H]1CCC2=O,CHEMBL2113276,6.69
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[C@H]3CS3)[C@@H]1CCC2=O,CHEMBL2113272,7.66
+CC1(C=O)CCC2C(CCC3=CC(=O)C=CC32C)C1,CHEMBL158600,5.4
+CC1(CO)CCC2C(CCC3=CC(=O)C=CC32C)C1,CHEMBL348154,5.07
+CC12CCC3C(C(=O)C=C4CCCCC43CO)C1CCC2O,CHEMBL421491,4.35
+Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1,CHEMBL305220,7.89
+Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1,CHEMBL70611,8.12
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43CS)C1CCC2=O,CHEMBL445362,7.33
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43S)C1CC[C@@H]2O,CHEMBL67456,7.0
+C[C@]12CCC3C(CCC4=CC(=O)[C@H](S)C[C@@]43C)C1CCC2=O,CHEMBL66775,5.51
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43S)C1CCC2=O,CHEMBL67441,7.55
+COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccncc3)oc2c1,CHEMBL185809,6.05
+COc1ccc2c(=O)c(-c3ccc(C)cc3)c(SCc3ccncc3)oc2c1,CHEMBL184051,5.94
+COc1ccc(-c2c(SCc3ccncc3)oc3cc(OC)ccc3c2=O)cc1,CHEMBL361653,5.77
+O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12,CHEMBL188664,6.66
+O=c1c(-c2ccc(O)cc2)c(SCc2ccncc2)oc2cc(O)ccc12,CHEMBL185950,6.51
+COc1ccc(-c2c(SCc3ccncc3)oc3cc(O)ccc3c2=O)cc1,CHEMBL187068,6.59
+COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CHEMBL131921,4.92
+O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL117,5.59
+COc1ccc2c(=O)c(-c3ccccc3)c(-n3ccnc3)oc2c1,CHEMBL192306,6.17
+COc1ccc(-c2c(-n3ccnc3)oc3cc(OC)ccc3c2=O)cc1,CHEMBL189472,5.74
+O=c1c(-c2ccccc2)c(-n2ccnc2)oc2cc(OCc3ccccc3)ccc12,CHEMBL363493,6.6
+COc1ccc(-c2c(-n3ccnc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1,CHEMBL189274,5.36
+C[C@]12CCC3C(CC[C@H]4C=CCC[C@]34C)C1CCC2=O,CHEMBL194641,7.3
+C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O,CHEMBL1629802,7.42
+C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CCC2=O,CHEMBL1630280,6.83
+C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@@]43C)C1CCC(=O)O2,CHEMBL197451,6.18
+CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,CHEMBL1399,9.89
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,4.38
+O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,CHEMBL8145,4.0
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,4.0
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,4.0
+COc1ccc(C(Cn2ccnc2)Sc2ccc(Cl)c(Cl)c2)cc1,CHEMBL459502,8.19
+Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)n1ccnc1)OCO2,CHEMBL459503,8.25
+Oc1cc2c(cc1C(c1ccc(F)cc1)n1ccnc1)OCO2,CHEMBL513615,8.72
+O=Cc1c(Cn2ccnc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1,CHEMBL496777,7.28
+Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1,CHEMBL495565,7.48
+COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3)c2c1,CHEMBL495567,7.59
+Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1,CHEMBL509750,7.82
+COc1ccc(C(c2cc3c(cc2O)OCO3)n2ccnc2)cc1,CHEMBL522733,7.88
+Cc1nc2c(cc1C#N)C(Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1-2,CHEMBL572637,6.41
+CC1C2=CC(=O)CCC2(C)C2CCC3(C)C(=O)CCC3C12,CHEMBL583076,6.58
+C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@@]43C)[C@@H]1CCC2=O,CHEMBL1629800,7.3
+C[C@]12CC[C@H]3[C@@H](CCC4=C(OC(=O)c5ccccc5)CCC[C@@]43C)[C@@H]1CCC2=O,CHEMBL1630263,7.15
+CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1,CHEMBL1630264,7.22
+COCO[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL1933690,6.1
+O=C(c1ccccc1)C(Cn1ccnn1)c1ccccc1,CHEMBL1933692,6.0
+O=C(O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1,CHEMBL1933693,7.0
+CC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL1933694,7.21
+COCO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL1933699,7.1
+O[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL1933700,7.3
+CC(=O)O[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL1933701,6.6
+Brc1cccc(-c2nc(-c3cccnc3)ns2)c1,CHEMBL1957208,5.94
+COc1cccc(-c2nc(-c3cccnc3)ns2)c1,CHEMBL1957209,5.27
+c1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1601919,7.2
+Fc1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1957210,4.9
+Clc1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1957211,6.63
+Brc1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1957212,5.76
+COc1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1957213,4.82
+c1cncc(-c2csc(-c3ccncc3)n2)c1,CHEMBL1957214,10.22
+Oc1ccc(-c2nc(-c3cccnc3)cs2)cc1,CHEMBL1957215,5.59
+Clc1cc(-c2nc(-c3cccnc3)cs2)ccn1,CHEMBL1957216,8.09
+COc1cc(-c2nc(-c3cccnc3)cs2)ccn1,CHEMBL1957217,9.19
+Cc1cnccc1-c1nc(-c2cccnc2)cs1,CHEMBL1957218,8.5
+Brc1ccc(-c2csc(-c3ccncc3)n2)cn1,CHEMBL1957219,6.55
+Brc1ccc(-c2csc(-c3cccnc3)n2)cn1,CHEMBL1957220,5.83
+COc1ccc(-c2csc(-c3ccncc3)n2)cn1,CHEMBL1957221,7.08
+CCOc1ccc(-c2csc(-c3ccncc3)n2)cn1,CHEMBL1957222,7.0
+COc1ccc(-c2csc(-c3cccnc3)n2)cn1,CHEMBL1957223,7.45
+C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL1077603,7.0
+C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O,CHEMBL2058266,7.07
+C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL2058267,5.02
+C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,CHEMBL1200374,7.79
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL2386284,6.35
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL2386285,7.32
+CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL3350384,7.11
+CC(=O)O[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443364,6.19
+CC(=O)O[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1,CHEMBL2443362,6.46
+O[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443361,6.08
+O[C@@H](c1ccc(Br)cc1)[C@H](Cn1ccnn1)c1ccccc1,CHEMBL2443360,6.89
+O[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1,CHEMBL2443359,6.7
+COCO[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443358,7.7
+COCO[C@@H](c1ccc(Br)cc1)[C@H](Cn1ccnn1)c1ccccc1,CHEMBL2443357,7.15
+COCO[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1,CHEMBL2443356,6.8
+CC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443355,6.63
+CC(=O)O[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443354,7.05
+CC(=O)O[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443353,6.96
+O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443352,6.09
+O[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443351,6.77
+O[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443350,6.48
+COCO[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1,CHEMBL2443349,6.95
+COCO[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443348,7.7
+COCO[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1,CHEMBL2443365,7.1
+CCCCS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]21,CHEMBL3245348,7.24
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](SCCc1ccccc1)CC1=CC(=O)CC[C@@]13C,CHEMBL3245353,7.21
+COc1ccc(CS[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]32)cc1,CHEMBL3245356,7.51
+CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc2c(c1)OCO2,CHEMBL3326519,6.15
+CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(C)cc1,CHEMBL3326518,6.15
+CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccccc1,CHEMBL3326522,6.83
+CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1,CHEMBL3326521,6.445
+CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Cl)cc1,CHEMBL3326520,7.56
+CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1,CHEMBL3326515,5.85
+CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Br)cc1,CHEMBL3326517,7.68
+CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1,CHEMBL3326516,6.195
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@@H]1CCC2=O,CHEMBL3623218,7.35
+CC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3623219,7.35
+C[C@]12CC[C@H]3[C@@H](C[C@H]4OC[C@@]35CCC(=O)C=C45)[C@@H]1CCC2=O,CHEMBL3623222,5.66
+C=CC[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]21,CHEMBL3623223,7.35
+C[C@]12CC[C@@H]3c4cc(NC(=O)c5ccncc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL3623220,5.68
+C[C@]12CC[C@@H]3c4ccc(O)c(NC(=O)c5ccncc5)c4CC[C@H]3[C@@H]1CCC2=O,CHEMBL3623221,5.82
+C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3752414,7.26
+CC1(C)C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3753169,8.06
+C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3753307,7.17
+C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3753403,7.66
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](Cl)C[C@@]43C)[C@@H]1CCC2=O,CHEMBL3754720,7.35
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](Br)C[C@@]43C)[C@@H]1CCC2=O,CHEMBL3753620,7.35
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](O)C[C@@]43C)[C@@H]1CCC2=O,CHEMBL3752976,6.17
+CO[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3751945,6.17
+CCO[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3754174,6.17
+C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O,CHEMBL3753855,6.82
+C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O,CHEMBL3751972,5.93
+CO[C@H]1C=C2C(=O)C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,CHEMBL3753375,6.15
+CC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3754183,7.34
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+CC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3752661,8.85
+CCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3752102,8.85
+C=C[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3753920,8.29
+C/C=C1\C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3753629,8.31
+C#CC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3753724,7.43
+C#CC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,CHEMBL3753776,8.0
+C[C@]12C=CC(=O)C(Sc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3752288,8.01
+C[C@]12CC[C@H]3[C@@H](C=CC4=C(Sc5ccccc5)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL3753109,8.01
+C[C@]12C=CC(=O)C(Sc3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3752174,8.01
+C[C@]12CC[C@H]3[C@@H](CCC4=C(F)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL3753063,7.82
+C[C@]12CC[C@@H]3[C@H]4CCC(=O)C(F)=C4CC[C@H]3[C@@H]1CCC2=O,CHEMBL3754504,7.05
+C[C@]12CC[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL3752818,7.26
+C[C@]12CC[C@H]3[C@@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL3752871,7.28
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H]3CO3)[C@@H]1CCC2=O,CHEMBL3752584,7.12
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CN3)[C@@H]1CCC2=O,CHEMBL3752276,8.47
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H]3CN3)[C@@H]1CCC2=O,CHEMBL3752897,8.47
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CN3)[C@@H]1CC[C@@H]2O,CHEMBL3754519,8.47
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H]3CN3)[C@@H]1CC[C@@H]2O,CHEMBL3752403,8.47
+CC1(C)C[C@@]2(C)C(=CC1=O)C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3754222,7.6
+CC1(C)C[C@@]2(C)C(=C(O)C1=O)C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3752192,7.4
+C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,CHEMBL3754696,7.38
+C[C@]12C=CC(=O)C=C1C=C(c1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3752208,5.65
+C[C@]12C=CC(=O)C=C1C=C(Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3754204,7.22
+C[C@]12C=CC(=O)C=C1C=C(CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3754054,6.76
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](Sc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)CC1=CC(=O)CC[C@@]13C,CHEMBL3754567,7.62
+CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(S[C@@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]54)cc3)cccc12,CHEMBL3752031,7.62
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](Sc1cccc2ccccc12)CC1=CC(=O)CC[C@@]13C,CHEMBL3754433,7.62
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](Sc1ccc2ccccc2c1)CC1=CC(=O)CC[C@@]13C,CHEMBL3753120,7.62
+C[C@]12C=CC(=O)C=C1C[C@@H](Sc1cccc3ccccc13)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3752771,7.92
+C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc3ccccc3c1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3752073,7.92
+C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3754150,7.92
+CS[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL3754681,6.21
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43S)[C@@H]1CC[C@@H]2O,CHEMBL3754530,6.97
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CS3)[C@@H]1CCC2=O,CHEMBL3752770,8.7
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL209073,6.59
+C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@H]1CC2,CHEMBL3752359,6.59
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[N-][N+]#N)[C@@H]1CCC2=O,CHEMBL3752954,8.3
+CSC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12,CHEMBL3753548,9.0
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H]5CC[C@]43C5)[C@@H]1CCC2=O,CHEMBL3753369,5.0
+C=CC1O[C@]2(O)CC[C@@]13C(=CC[C@H]1[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]13)C2,CHEMBL3753736,5.0
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CSC[C@]43CCC5=O)[C@@H]1CCC2=O,CHEMBL3751987,5.0
+C[C@]12CC[C@H]3[C@@H](CC4COC[C@]35CCC(=O)C=C45)[C@@H]1CCC2=O,CHEMBL3752539,5.0
+C[C@]1(CC#N)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]1CC#N,CHEMBL3401050,5.0
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O,CHEMBL3753997,6.0
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CS)[C@@H]1CCC2=O,CHEMBL3754311,7.47
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H]5C[C@H](O)[C@]43C5)[C@@H]1CCC2=O,CHEMBL3754469,6.03
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H]5C[C@@H](O)[C@]43C5)[C@@H]1CCC2=O,CHEMBL3754133,6.06
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H]5COC[C@]43C5)[C@@H]1CCC2=O,CHEMBL3754275,7.75
+COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1,CHEMBL3818720,7.08
diff --git a/chembl_200/CHEMBL1983.csv b/chembl_200/CHEMBL1983.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e6958729a2c95520ec2d526842cb6d3be653da93
--- /dev/null
+++ b/chembl_200/CHEMBL1983.csv
@@ -0,0 +1,843 @@
+Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1,CHEMBL281350,6.445
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,5.3
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,5.58
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1,CHEMBL134743,5.9
+CC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL111000,7.51
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.7
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12,CHEMBL84165,5.88
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12,CHEMBL86223,5.42
+COc1ccccc1N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL26533,6.34
+CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL327103,7.01
+CN(C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12,CHEMBL109360,6.96
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,8.33
+CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322349,7.77
+NCCc1c[nH]c2ccccc12,CHEMBL6640,7.425
+CC(=O)c1ccc2[nH]cc(CCN)c2c1,CHEMBL110317,8.01
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,6.82
+Cc1[nH]c2ccc(O)cc2c1CCN,CHEMBL266591,5.91
+COc1ccc2[nH]c(C)c(CCN)c2c1,CHEMBL268800,5.97
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,5.83
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,7.1
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL6621,8.03
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,5.0
+Oc1ccc2[nH]cc(/C=N/Nc3ncc[nH]3)c2c1,CHEMBL77734,5.75
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC(C)C)cc12,CHEMBL75420,6.54
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(=O)[nH]c12,CHEMBL74208,6.58
+CCCCCCCN(C)C(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL76552,6.06
+N=C(NCCc1ccc(Cl)c(Cl)c1)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL545461,6.23
+CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71838,9.05
+CNC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71798,6.53
+COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71635,8.42
+COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71907,6.62
+COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL69385,8.07
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,8.17
+OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1,CHEMBL313714,9.05
+CN(C)CCn1ccc2ccc(-c3cccnc3)cc21,CHEMBL343492,8.85
+CN(C)CCn1ccc2ccc(C3CCSCC3)cc21,CHEMBL138873,8.25
+CN(C)CCn1ccc2ccc(C3(O)CCSCC3)cc21,CHEMBL138872,8.7
+CN(C)CCn1ccc2ccc(C3=CCSCC3)cc21,CHEMBL343712,7.66
+CN(C)CCn1ccc2ccc(-c3ccsc3)cc21,CHEMBL138821,8.14
+CN(C)CCn1ccc2ccc(-c3ccc4ccccc4c3)cc21,CHEMBL139438,7.24
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,8.03
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,6.14
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,6.74
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,7.01
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,8.35
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,6.48
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1,CHEMBL127411,5.41
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,6.29
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C,CHEMBL309021,6.27
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1C#CCN(C)C,CHEMBL118360,5.92
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1/C=C\CN(C)C,CHEMBL2111779,6.77
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1/C=C/CN(C)C,CHEMBL119800,6.25
+CN(C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O,CHEMBL119264,6.15
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(Cl)c(Cl)ccc23)CC1,CHEMBL84305,6.78
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL83112,7.59
+COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c2c1,CHEMBL84171,7.51
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)c(F)ccc23)CC1,CHEMBL82523,7.24
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2[nH]nc3cc(F)ccc23)CC1,CHEMBL441259,7.62
+Cn1nc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL442974,7.29
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccc(F)cc23)CC1,CHEMBL83732,7.59
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2coc3cc(F)ccc23)CC1,CHEMBL82488,7.55
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1,CHEMBL81191,8.27
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2nsc3cc(F)ccc23)CC1,CHEMBL444843,7.4
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2cccc3ccccc23)CC1,CHEMBL79693,7.85
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1169435,7.82
+Cn1cc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL311323,7.19
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL79561,6.89
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1,CHEMBL309872,6.84
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1,CHEMBL313452,6.91
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc3cc(F)ccc3c2)CC1,CHEMBL310082,7.15
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL310744,7.13
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2noc3cc(F)ccc23)CC1,CHEMBL79853,7.2
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2csc3cc(F)ccc23)CC1,CHEMBL81703,7.7
+C[C@H]1CC(c2c[nH]c3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL311787,7.55
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)C1,CHEMBL79725,7.4
+N#Cc1cccc2c(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c[nH]c12,CHEMBL311694,6.89
+NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1159649,7.6
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc(F)c3ccoc23)CC1,CHEMBL2112307,7.57
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL79674,8.08
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,5.79
+CN1CCN(c2cccc3ccc(OCCOc4ccc5[nH]cc(CCN)c5c4)cc23)CC1,CHEMBL31217,9.4
+CN1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CCN)c6c5)cc4)cc23)CC1,CHEMBL282950,9.3
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(C(=O)COc5ccc6cccc(N7CCN(C)CC7)c6c5)CC4)cc23)CC1,CHEMBL285402,8.91
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,6.865
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,8.21
+CN1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL30831,8.77
+CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4c3CC(N(CCC)CCC)CC4)c2C1,CHEMBL29951,8.41
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C1CCCCC1,CHEMBL162771,7.54
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C1CCCCC1,CHEMBL348756,7.96
+CN(C)CCc1c[nH]c2ccc(C3=CCN(C)CC3)cc12,CHEMBL115415,8.1
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccccc1,CHEMBL163151,8.07
+O=S(=O)(c1cccc2ccccc12)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL162011,7.57
+COc1ccc(C(=S)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL159278,8.21
+C1=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CCNC1,CHEMBL422192,7.13
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL163516,7.54
+Cc1ccc(C(=O)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL162012,8.07
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL440008,7.54
+COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL349675,7.96
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccc(Cl)cc1,CHEMBL351036,7.92
+Cc1ccc(C(=S)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL162049,8.13
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccc(Cl)cc1,CHEMBL162724,8.21
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccccc1,CHEMBL352181,8.02
+O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL349903,8.03
+O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1cccc2ccccc12,CHEMBL423789,8.06
+Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL349174,7.92
+S=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1cccc2ccccc12,CHEMBL161894,7.8
+O=S(=O)(c1ccccc1)N1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1,CHEMBL163639,7.68
+COc1ccc(C(=O)NN2CC=C(c3ccc4[nH]cc(CCN5CCCC5)c4c3)CC2)cc1,CHEMBL428991,8.11
+COc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL113994,9.34
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4cccc5ccccc45)CC3)cc12,CHEMBL117397,9.15
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cc12,CHEMBL323666,9.06
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccccc4)CC3)cc12,CHEMBL325175,9.35
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC45CC6CC(CC(C6)C4)C5)CC3)cc12,CHEMBL323705,8.25
+Cc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL114571,9.51
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4cccc5ccccc45)CC3)cc12,CHEMBL113893,9.35
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC4CCCCC4)CC3)cc12,CHEMBL323603,8.52
+Cc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL113950,9.42
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc12,CHEMBL114780,9.42
+COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL115941,9.12
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4ccccc4)CC3)cc12,CHEMBL334259,9.17
+COc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL431866,9.38
+Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCCN5C)c4c3)CC2)cc1,CHEMBL116876,9.1
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)cc12,CHEMBL332484,8.4
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)Nc4ccc(Cl)cc4)CC3)cc12,CHEMBL115663,9.25
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC4CCCCC4)CC3)cc12,CHEMBL113868,8.7
+CC(C)(C)c1ccc(CC2=NCCN2)cc1,CHEMBL308727,6.98
+Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1,CHEMBL303441,5.96
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,9.4
+Cc1ccc(CC2=NCCN2)c(C)c1O,CHEMBL72167,5.72
+Cc1cc(C(C)(C)C)ccc1CC1=NCCN1,CHEMBL70409,8.17
+Cc1cc(Br)cc(C)c1CC1=NCCN1,CHEMBL307408,7.13
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,CHEMBL312448,9.15
+Cc1cccc(C)c1CC1=NCCN1,CHEMBL71033,5.66
+Cc1cc(C(C)(C)C)cc(C)c1CC(=N)N,CHEMBL73281,7.89
+CCCCc1ccc(CC2=NCCN2)cc1,CHEMBL73943,5.6
+CC(C)c1ccc(CC2=NCCN2)cc1,CHEMBL73670,6.47
+Cc1cc(C(C)C)cc(C)c1CC1=NCCN1,CHEMBL308042,8.96
+Brc1ccc(CC2=NCCN2)cc1,CHEMBL309976,5.36
+Cc1cc(C)c(CC2=NCCN2)c(C)c1,CHEMBL72178,7.14
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1C,CHEMBL72107,7.07
+Cc1cc(C(C)(C)C)cc(C)c1CCN,CHEMBL72158,5.87
+Cc1ccc(O)c(C)c1CC1=NCCN1,CHEMBL309162,5.99
+CCCc1ccc(CC2=NCCN2)cc1,CHEMBL73190,5.62
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,5.21
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,6.6
+CCc1[nH]c2ccc(OC)cc2c1CCN(C)C,CHEMBL267615,6.54
+NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147901,9.74
+NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12,CHEMBL357830,9.57
+NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL424128,9.34
+NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCCCCCOc5ccc6[nH]cc(CCN)c6c5)cc4)cc3)cc12,CHEMBL342323,9.35
+NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL144397,9.52
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL356277,9.96
+NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL148314,8.82
+NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL343196,9.0
+CC(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL331240,8.722999999999999
+NCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL147851,9.8
+NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12,CHEMBL148022,9.46
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL146720,9.38
+NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL144030,9.96
+NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147677,9.4
+NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL144128,9.46
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12,CHEMBL357478,10.05
+CN(C)CCn1ccc2ccc(C3=CCOCC3)cc21,CHEMBL138462,7.49
+CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,CHEMBL441095,8.34
+CN(C)CCn1ccc2ccc(C3(O)CCOCC3)cc21,CHEMBL139801,8.47
+CN(C)CCn1ccc2ccc(C3CCOCC3)cc21,CHEMBL343105,8.43
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1,CHEMBL104753,6.09
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1,CHEMBL104496,7.08
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1,CHEMBL105958,6.38
+CC(=O)Nc1ncc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL104158,6.33
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CC4)nc23)CC1,CHEMBL104720,5.74
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL320198,5.72
+CC(=O)Nc1cc2c(C3CCN(C)CC3)c[nH]c2cn1,CHEMBL104026,7.41
+CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL319920,7.52
+CN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1,CHEMBL105327,6.42
+CCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL102292,7.4
+Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105025,6.36
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)nc23)CC1,CHEMBL105118,6.48
+CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL323264,8.07
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL103503,7.28
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc23)CC1,CHEMBL103550,6.16
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCC4)nc23)CC1,CHEMBL420475,6.05
+CN1CCC(c2c[nH]c3ccc(N)nc23)CC1,CHEMBL318105,6.38
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc23)CC1,CHEMBL104692,6.47
+CN1CCC(c2c[nH]c3ccc(OS(C)(=O)=O)nc23)CC1,CHEMBL105556,8.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1,CHEMBL321967,6.13
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4)nc23)CC1,CHEMBL105743,6.0
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL103424,6.82
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1,CHEMBL105091,6.03
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL431041,6.6
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,6.14
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(C#N)cc4)nc23)CC1,CHEMBL104484,6.42
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL101690,6.533
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])nc23)CC1,CHEMBL321343,6.77
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1,CHEMBL102250,5.96
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccn4)nc23)CC1,CHEMBL105722,6.09
+CN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc23)CC1,CHEMBL105369,8.42
+COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL104374,7.64
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccs4)nc23)CC1,CHEMBL321080,6.19
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,6.14
+CCCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL101686,6.96
+Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1,CHEMBL449406,6.31
+CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12,CHEMBL158941,9.05
+NCCc1c[nH]c2ccc(C3CCCC3)cc12,CHEMBL151502,8.77
+CNCCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL357034,9.35
+NCCc1c[nH]c2ccc(C3CCCCC3)cc12,CHEMBL146976,8.47
+CC(C)(C)c1ccc2[nH]cc(CCN)c2c1,CHEMBL444341,9.22
+CCCN(CCC)CCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL343025,7.97
+CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL1278,8.64
+CCCNCCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL147454,8.21
+Cc1ccc2[nH]cc(CCN)c2c1,CHEMBL331241,8.19
+CCc1ccc2[nH]cc(CCN)c2c1,CHEMBL107511,8.43
+CC(C)c1ccc2[nH]cc(CCN)c2c1,CHEMBL150798,8.96
+CN(C)CCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL423029,9.36
+CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,CHEMBL1279,8.36
+COc1ccc2ccc(N3CCNCC3)cc2c1,CHEMBL129661,9.15
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc23)CC1,CHEMBL129813,9.35
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5ccccc5C#N)CC4)cc23)CC1,CHEMBL2112660,9.29
+Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1,CHEMBL128699,8.72
+COc1cccc(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c1OC,CHEMBL338015,9.21
+Cc1ccccc1N1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL340786,9.16
+Cc1ccccc1CN1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL2112662,9.26
+COc1ccc(NC(=O)c2ccc(-c3ccc(C4=NOC(C)N4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL339308,9.13
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1,CHEMBL2112661,9.06
+CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL44054,9.54
+Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL300686,8.46
+Cn1cc(CCN)c2cc(C(C)(C)C)ccc21,CHEMBL301757,9.35
+CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL45929,9.01
+CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL300519,9.4
+CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL297660,8.28
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL49826,9.6
+CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL297471,8.6
+CCc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL50492,7.8
+CCc1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL49048,7.35
+C1=CCN(CCc2c[nH]c3ccc(-c4cccs4)cc23)C1,CHEMBL173162,8.35
+c1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1,CHEMBL353256,7.72
+CC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL173656,8.6
+CN(C)CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL170192,9.15
+Clc1ccc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)s1,CHEMBL423610,7.51
+OC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL174141,8.09
+COC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL369798,8.74
+NCCc1c[nH]c2ccc(-c3cccs3)cc12,CHEMBL355517,8.77
+CN(C)CCc1c[nH]c2ccc(-c3ccsc3)cc12,CHEMBL171129,9.3
+CN(C)CCc1c[nH]c2ccc(-c3ccc(Cl)s3)cc12,CHEMBL422737,8.12
+Cc1ccc(-c2ccc3[nH]cc(CCN(C)C)c3c2)s1,CHEMBL174355,8.49
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2,CHEMBL2113347,7.0
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)C2,CHEMBL2368612,6.5
+N#Cc1ccc2c(c1)CN(CCCCNC(=O)/C=C/c1c[nH]c3ccccc13)CC2,CHEMBL553591,6.6
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL2368611,6.2
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)CC2,CHEMBL2113350,7.0
+CS(=O)(=O)c1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4cc(C#N)ccc4C3)CC2)c1,CHEMBL2113352,5.4
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)C2,CHEMBL2113348,7.0
+O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL552599,7.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL2110366,5.9
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)cc1,CHEMBL261917,5.9
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,6.6
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(-c2ccccc2)cc1,CHEMBL97637,6.8
+Cc1cc(N2CCNCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2n1,CHEMBL97211,6.5
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,6.7
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL97158,6.2
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,6.4
+CCc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL98965,5.6
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95823,6.4
+CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL114012,5.7
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,5.5
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,5.62
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,5.8
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,6.2
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,6.3
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,6.2
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,6.3
+Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCNCC3)c2)cc1,CHEMBL24474,5.95
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.7
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C,CHEMBL282693,7.4
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1,CHEMBL15933,5.7
+Cc1cc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)ccc1Br,CHEMBL21369,6.7
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CCO5)cc3)c(C)c2)no1,CHEMBL20791,7.7
+COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL282229,8.3
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1,CHEMBL21724,7.6
+Cc1cc(C(=O)Nc2ccc(C)c(N3CCN(C)CC3)c2)ccc1Br,CHEMBL20771,7.4
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C,CHEMBL20963,7.5
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C,CHEMBL21790,7.0
+COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1,CHEMBL277467,7.9
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.7
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,6.6
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,7.6
+Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1,CHEMBL12264,5.5
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,7.0
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,6.5
+CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL158627,5.9
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.4
+CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143510,7.73
+CCCCCCCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL111107,5.63
+CCCCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL108818,5.96
+CCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111376,8.82
+CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111284,7.38
+CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322054,7.38
+CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1,CHEMBL418823,6.65
+CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL326667,8.8
+CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL109839,7.16
+CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111150,7.8
+NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12,CHEMBL110318,7.26
+CCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL320079,8.31
+CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111283,7.38
+CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1,CHEMBL414420,6.68
+COc1ccc2[nH]c3c(c2c1)CC(N)CC3,CHEMBL108337,5.92
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc12,CHEMBL421064,9.115
+Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1,CHEMBL120055,8.88
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4cccc5ccccc45)CC3)cc12,CHEMBL160581,9.15
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1,CHEMBL71474,8.07
+CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1,CHEMBL71899,7.27
+CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1,CHEMBL303021,7.64
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1,CHEMBL70985,7.44
+CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL70589,8.12
+CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL71091,7.59
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL304573,6.53
+CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL65196,7.405
+CCCNC1CCc2cc(F)ccc2C1,CHEMBL302373,6.23
+CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304426,6.76
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1,CHEMBL302263,6.95
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL307521,6.36
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL70652,7.47
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL307786,6.81
+CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1,CHEMBL70882,6.66
+CCCN(CCC)C1CCc2cc(F)c3c(c(C=O)cn3C)c2C1,CHEMBL71319,6.38
+CCCN(CCC)C1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1,CHEMBL303269,7.28
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL71247,7.27
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL71395,6.97
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL308347,8.17
+CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1,CHEMBL306869,7.74
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71625,7.51
+CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL305743,7.96
+CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1,CHEMBL71299,6.48
+CCCN(CCC)C1CCc2c(ccc(F)c2N)C1,CHEMBL71676,6.12
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302172,7.8
+CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1,CHEMBL69562,7.37
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL70710,7.85
+CCCc1c[nH]c2c(F)cc3c(c12)CC(N(CCC)CCC)CC3,CHEMBL71663,8.08
+CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302171,6.36
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL441256,8.34
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL70431,7.06
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL71176,8.36
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL71804,7.38
+CNCCOc1cccc2ccccc12,CHEMBL138958,7.47
+OCCNCCOc1cccc2ccccc12,CHEMBL336092,7.17
+CCCN(C)CCCOc1ccccc1C1CCCC1,CHEMBL136962,6.84
+CCCN(C)CCOc1ccccc1C1CCCC1,CHEMBL140415,7.09
+CNCCOc1ccccc1,CHEMBL136311,5.74
+CCCN(C)CCOc1cccc2ccccc12,CHEMBL140417,6.99
+CN(CCOc1cccc2ccccc12)Cc1ccccc1,CHEMBL140416,6.23
+CCCCN(CC)CCOc1cccc2ccccc12,CHEMBL138907,6.95
+CCCN[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL554220,6.685
+CCCN[C@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1,CHEMBL2021538,7.045
+CS(=O)(=O)NCc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL117157,8.83
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL334323,9.23
+NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL120514,9.465
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(NC(=O)c5ccccc5)cc4)CC3)cc12,CHEMBL334193,8.83
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(CN)cc4)CC3)cc12,CHEMBL121499,8.815
+NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL121207,9.4
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL334159,8.66
+NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL116314,8.85
+NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL324289,8.67
+CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CCCCCOc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL331037,8.87
+N#Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1,CHEMBL119927,9.225
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12,CHEMBL332142,9.38
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304767,8.55
+CCCNC1CCc2ccc3[nH]ccc3c2C1,CHEMBL305976,7.16
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69943,7.59
+CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71640,7.62
+CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69729,7.12
+c1ccc(CCCNCC2CCc3ccc4[nH]ccc4c3C2)cc1,CHEMBL70980,7.2
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL420191,7.48
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1744041,7.46
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788198,8.3
+CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71469,7.8
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL2112317,6.6
+CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70680,8.7
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL72062,8.7
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL306197,8.6
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL423127,8.01
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3,CHEMBL69560,7.11
+CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL303339,7.82
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL70606,6.72
+CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788197,9.05
+C=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL309121,7.46
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL72285,8.13
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744039,8.19
+CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL312525,7.57
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL305837,8.47
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL303921,8.29
+CN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL413105,7.92
+CCCN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71409,6.77
+CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744040,8.8
+CN(C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788196,7.72
+CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL292274,6.64
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL420748,7.89
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71145,7.89
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCCCC1)C3,CHEMBL73112,6.47
+CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL97450,7.8
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,8.43
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,8.7
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,8.62
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.41
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,5.72
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL279436,6.22
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL355910,5.25
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL358406,6.23
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL346649,6.13
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1,CHEMBL356623,4.96
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL358253,6.2
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL356829,5.34
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151825,6.12
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151668,4.54
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL148552,5.76
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1,CHEMBL150743,4.51
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL356923,4.29
+COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL357061,5.5
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347499,5.72
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL149263,5.34
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,9.48
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1,CHEMBL150696,4.73
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347501,5.73
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1,CHEMBL359375,5.71
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146815,5.65
+CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347522,5.42
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL41844,5.94
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1,CHEMBL151045,5.33
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1,CHEMBL347559,5.56
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151878,5.3
+CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL357681,5.32
+CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146983,4.35
+CC(C)(C)c1ccc(C2=NCCN2)cc1,CHEMBL276868,6.98
+Cc1cccc(C)c1NC1=NCCN1,CHEMBL186919,5.68
+Cc1cc(C(C)(C)C)cc(C)c1NC1=NCCN1,CHEMBL366322,9.52
+Cc1cc(Br)cc(C)c1NC1=NCCN1,CHEMBL182837,7.27
+Cc1cc([N+](=O)[O-])cc(C)c1NC1=NCCN1,CHEMBL183704,6.48
+Clc1cc(I)cc(Cl)c1NC1=NCCN1,CHEMBL360803,7.3
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1Cc1ccccc1,CHEMBL361729,7.52
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCCN1,CHEMBL361470,7.48
+CN1CCC(c2[nH]nc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL184597,5.51
+CN1CCC(n2ccc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361303,6.85
+CN1CCC(C2CNc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL187952,5.64
+CN1CCC(N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361061,6.68
+CN1CCC(N2CCOc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL184994,5.64
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,7.53
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,8.33
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,7.19
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.9
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.4
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,8.8
+Cc1ccc2c(OCCN3CCN(CN4C=Cc5cc(O)ccc5O4)CC3)cccc2n1,CHEMBL192176,8.0
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1,CHEMBL191895,8.8
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL365810,8.0
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+](=O)[O-],CHEMBL193268,7.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL192536,8.1
+Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL191605,8.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL364495,8.3
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1,CHEMBL191980,5.6
+Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1,CHEMBL363413,8.4
+Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1,CHEMBL2113061,8.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1,CHEMBL191921,8.6
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1,CHEMBL362992,8.6
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,9.1
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1,CHEMBL190190,8.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5nc[nH]c45)CC3)cccc2n1,CHEMBL190298,9.6
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2c1sc(C(N)=O)c2Cl,CHEMBL197982,7.35
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,8.19
+COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL194206,6.77
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,6.68
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,6.46
+COc1ccc(NC(=O)N2CCN(c3ccc(SC)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197796,6.48
+COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1,CHEMBL195927,7.81
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,6.98
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,7.46
+COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1,CHEMBL196169,6.99
+CN1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC1,CHEMBL191971,8.85
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195114,7.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195497,7.0
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195897,6.9
+CCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL434355,6.9
+CCCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL371655,6.8
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL195432,7.9
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL435936,7.1
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113097,7.5
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113098,6.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1Cl)CC2,CHEMBL370896,6.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1)CC2,CHEMBL194610,6.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(Cl)c1F)CC2,CHEMBL195898,7.0
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(F)c1C(F)(F)F)CC2,CHEMBL195651,6.7
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc(C(F)(F)F)c1F)CC2,CHEMBL196600,6.9
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1F)CC2,CHEMBL381035,6.7
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1F)CC2,CHEMBL424837,6.8
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1Cl)CC2,CHEMBL370214,7.3
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1F)CC2,CHEMBL197505,7.5
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1Cl)CC2,CHEMBL372731,7.6
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3ccccc3C)cc1)CC2,CHEMBL196848,7.8
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(C(C)=O)cc3C)cc1)CC2,CHEMBL196951,6.4
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3cc(C)ncc3C)cc1)CC2,CHEMBL193616,6.3
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL274256,7.8
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL196666,6.6
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(N4CCCC4=O)nc3C)cc1)CC2,CHEMBL425919,6.4
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncccn4)cc3C)cc1)CC2,CHEMBL364056,6.6
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1,CHEMBL370852,9.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C#N)cc2)CC4)CC1,CHEMBL194647,9.1
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2C(F)(F)F)CC4)CC1,CHEMBL194701,7.8
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2Cl)CC4)CC1,CHEMBL194809,8.6
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C(F)(F)F)nc2)CC4)CC1,CHEMBL199088,9.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cccc3ncccc23)CC4)CC1,CHEMBL370625,8.4
+Cc1cc(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)c(C(F)(F)F)o1,CHEMBL199175,8.1
+Cc1nc(C)c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)o1,CHEMBL197169,8.6
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn(C)c2C(F)(F)F)CC4)CC1,CHEMBL196140,8.0
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn3ccccc23)CC4)CC1,CHEMBL380812,8.9
+Cc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccccc1,CHEMBL198975,9.2
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372743,9.2
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCNCC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372651,8.6
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(CC)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL426285,8.6
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C(C)C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL198488,8.1
+CCc1c(C(=O)N2CCc3cc4ccnc(N5C[C@H](C)N[C@H](C)C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL199144,8.1
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL197947,9.0
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL382078,8.5
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,5.1
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL234447,7.25
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706925,8.74
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706924,7.17
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706923,7.85
+N#Cc1ccc2c(N3CCN(CC[C@@H]4OCCc5cc(C(N)=O)ccc54)CC3)cccc2c1,CHEMBL391273,9.0
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL233210,9.05
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc3cc(F)ccc3c2)CC1,CHEMBL234449,8.0
+C[C@H]1CN(c2ccc3cc(F)ccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391272,7.85
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL234448,7.06
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391271,8.15
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,CHEMBL244946,6.7
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)c(F)ccc2n1,CHEMBL391033,8.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(C#N)cc2n1,CHEMBL239167,6.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL239166,6.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL442087,6.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL241500,7.2
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL241499,7.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL241503,9.1
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,6.2
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,6.1
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,6.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,6.2
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,7.0
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL241463,9.4
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL239168,8.5
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CCc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248407,8.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(Cc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248231,8.2
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CC(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248230,8.6
+CCCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248229,8.5
+CCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246599,8.7
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248458,9.0
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL399719,9.3
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL248457,8.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248456,8.4
+CCN1C(=O)COc2ccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246598,8.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL246597,8.6
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c21,CHEMBL443060,8.9
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4F)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247609,9.3
+Cc1ccc2c(OCCN3CCN(Cc4cc(F)c5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247428,9.4
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,5.44
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,5.9
+CC1N=C(N)Nc2c(Cl)ccc(Cl)c21,CHEMBL272781,6.02
+COc1c(Cl)ccc2c1C(C)N=C(N)N2,CHEMBL258073,5.94
+COc1cc(Cl)c(C)c2c1NC(N)=NC2C,CHEMBL401745,6.84
+CNC1=NC(C)c2cccc(OC(C)C)c2N1,CHEMBL402179,6.8
+CC(C)Oc1cccc2c1NC(N)=NC2C,CHEMBL258075,7.15
+COc1cccc2c1NC(N)=NC2C,CHEMBL408152,6.35
+CNC1=NC(C)c2c(ccc(Cl)c2Cl)N1,CHEMBL271298,6.34
+CC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL273170,6.59
+CCC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL439240,5.89
+CNC1=NC(C)c2c(Cl)cccc2N1,CHEMBL269964,5.84
+CC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270177,5.9
+CC1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL404511,5.86
+COc1c(Cl)ccc2c1C(C)N=C(NCC(F)F)N2,CHEMBL257744,5.74
+CC(C)Oc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL446459,7.09
+COc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL404248,6.13
+C[C@@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256694,6.63
+CC1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL429136,6.2
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,5.96
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,5.84
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,6.85
+CC1(C)Cc2cccc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)c2O1,CHEMBL491839,9.8
+Cc1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL444398,9.7
+Cc1ncc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489195,9.5
+O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1,CHEMBL523095,9.6
+O=C1COc2ccc(CCN3CCN(c4nccc5ccccc45)CC3)cc2N1,CHEMBL490211,9.6
+O=C1COc2ccc(CCN3CCN(c4cccc5nc(-c6ccccc6)ccc45)CC3)cc2N1,CHEMBL484059,7.9
+Cc1cc(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(C)nc2c1,CHEMBL484260,9.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL521506,9.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL485491,9.7
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL497980,9.7
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL497979,9.5
+Cc1ccc2c(N3C[C@H]4C[C@@H]3CN4CCc3ccc4c(c3)NC(=O)CO4)cccc2n1,CHEMBL523064,7.6
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3C)cccc2n1,CHEMBL495705,9.5
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@H](C)C3)cccc2n1,CHEMBL521873,9.3
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@@H](C)C3)cccc2n1,CHEMBL495703,8.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL496520,9.4
+Cc1ccc2c(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL496317,9.6
+Cc1ccc2c(N3CCN(CCc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489394,9.7
+CCN1C(=O)COc2ccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cc21,CHEMBL489393,9.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL522257,9.833
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,9.65
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL513715,10.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469345,9.667
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5)CC3)cccc2n1,CHEMBL512724,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5C)CC3)cccc2n1,CHEMBL472289,8.3
+CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21,CHEMBL472290,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C(C)C)CC3)cccc2n1,CHEMBL469567,9.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C4CC4)CC3)cccc2n1,CHEMBL469568,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC4CC4)CC3)cccc2n1,CHEMBL469995,9.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC(F)F)CC3)cccc2n1,CHEMBL511279,9.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL511815,9.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1,CHEMBL471047,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469374,10.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL513875,9.5
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469375,8.5
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL469376,9.2
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469589,7.8
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL470217,8.4
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL470849,9.4
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.38
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,6.13
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,6.34
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,6.92
+Cc1ccc2c(N3CCN(CCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485395,8.0
+Cc1ccc2c(N3CCN(CCCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL483365,7.9
+Cc1ccc2c(N3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484205,6.9
+Cc1ccc2c(OCC(C)N3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484216,6.45
+Cc1ccc2c(OC(C)CN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484386,7.1
+Cc1ccc2c(OCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL484387,8.1
+Cc1ccc2c(OCCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519010,6.8
+Cc1ccc2c(OCCCN3CC(Oc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519019,6.6
+Cc1ccc2c(OC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484742,5.9
+Cc1ccc2c(OCC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484743,5.9
+Cc1ccc2c(OC3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485427,8.2
+Cc1ccc2c(OC3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL519037,5.7
+Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485630,6.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1,CHEMBL496098,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,9.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)N[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL461670,9.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL517170,9.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@@H](C)C5)c4)CC3)cccc2n1,CHEMBL518545,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)NC[C@@H]5C)c4)CC3)cccc2n1,CHEMBL457982,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL458199,9.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)C(=O)C5)c4)CC3)cccc2n1,CHEMBL458200,8.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5=O)c4)CC3)cccc2n1,CHEMBL456458,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCCC5)c4)CC3)cccc2n1,CHEMBL459061,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1,CHEMBL457765,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)O[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL513955,8.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCN(C)CC5)c4)CC3)cccc2n1,CHEMBL514429,9.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5)c4)CC3)cccc2n1,CHEMBL456684,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL459282,9.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCNCC5)c4)CC3)cccc2n1,CHEMBL459067,8.9
+CC(=O)N1CCC(c2cccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)c2)CC1,CHEMBL459068,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(S(C)(=O)=O)CC5)c4)CC3)cccc2n1,CHEMBL462915,8.5
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccncc5)c4)CC3)cccc2n1,CHEMBL462916,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1,CHEMBL516997,8.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1,CHEMBL456459,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccoc5)c4)CC3)cccc2n1,CHEMBL456460,8.2
+O=C(Nc1ccc2[nH]cc(C3CCN(CCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL510280,6.66
+O=C(Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc67)CC5)c4)CC3)c2c1)c1ccc(F)cc1,CHEMBL451394,6.82
+O=C(Nc1ccc2[nH]cc(C3CCN(C/C=C/CN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL450852,7.62
+O=C(Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL501645,8.41
+O=C(Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL448555,8.82
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL500749,7.89
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL509314,7.89
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL500230,7.89
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL505750,9.0
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL503468,9.52
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL500737,9.22
+O=C(Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1,CHEMBL505954,7.1
+CN1CCC(c2c[nH]c3ccc(NC(=O)CC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL489453,8.47
+CN1CCC(c2c[nH]c3ccc(N)cc23)CC1,CHEMBL521235,7.4
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL500488,7.95
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL500284,8.64
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL502138,8.77
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL374973,8.85
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL446745,9.05
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL452387,9.02
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL448902,9.05
+CN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL444404,9.02
+FC(F)(F)c1nc2c(N3CCN(CCOc4cccc5nc(C(F)(F)F)[nH]c45)CC3)cccc2[nH]1,CHEMBL472117,9.26
+CC(=O)N(C)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL506942,9.5
+CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1,CHEMBL495161,8.3
+CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL495160,6.7
+COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494992,8.6
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL494991,7.9
+CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494806,9.3
+Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1,CHEMBL494631,9.0
+COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O,CHEMBL495217,8.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,8.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(=O)(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL495213,9.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL495046,8.8
+CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525362,9.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1,CHEMBL495895,8.7
+CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL497127,8.8
+CC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498356,8.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL498355,8.9
+CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498354,9.2
+CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525712,9.3
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.15
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,5.97
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.15
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL476838,5.47
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,5.84
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL490634,5.74
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,5.84
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,7.31
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,5.64
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1,CHEMBL1242904,10.0
+Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241547,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1,CHEMBL1241548,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C(F)(F)F)cn4-5)CC3)cccc2n1,CHEMBL1241641,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4cncn4-5)CC3)cccc2n1,CHEMBL1241642,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnc(C)n4-5)CC3)cccc2n1,CHEMBL1241738,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C)nnn4-5)CC3)cccc2n1,CHEMBL1241546,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1,CHEMBL1241639,9.9
+CCOC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241640,9.5
+CC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241736,10.0
+CO/N=C(\C)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241737,9.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241824,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C#N)ncn4-5)CC3)cccc2n1,CHEMBL1241825,8.7
+CNC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241912,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241998,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242081,10.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242167,10.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242257,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NCC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242345,10.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242436,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242533,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242623,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242717,9.8
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.88
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.25
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,5.54
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,5.56
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290486,10.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290487,10.1
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290597,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1290715,9.9
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1289047,8.6
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289048,8.7
+Cc1ccc2c(N3CCN(CCc4c(F)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289163,9.4
+Cc1ccc2c(N3CCN(CCc4c(Cl)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289164,8.4
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cc(F)cc2n1,CHEMBL1289276,8.7
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@H](C)C3)cccc2n1,CHEMBL1289277,8.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL1289394,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1287827,8.3
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1289509,7.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289510,8.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)C(C)(C)C3)cccc2n1,CHEMBL1289618,9.3
+Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289721,7.4
+CCOC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631538,9.9
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,9.9
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,9.8
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,9.8
+CCCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632221,9.8
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,9.8
+COc1cccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)c1,CHEMBL1632215,9.8
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL1632208,9.8
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,9.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5F)c4)CC3)cccc2n1,CHEMBL1631533,9.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,9.7
+CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632207,9.7
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCOC5=O)c4)CC3)cccc2n1,CHEMBL1631543,9.6
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,9.6
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)NC(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632222,9.6
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1,CHEMBL1632219,9.6
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1,CHEMBL1632211,9.6
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,9.6
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCNC5=O)c4)CC3)cccc2n1,CHEMBL1631541,9.5
+CC(=O)N(C)c1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631539,9.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,9.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1632212,9.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,9.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632209,9.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1,CHEMBL1632218,9.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1632213,9.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1631537,9.3
+COc1ccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)cc1,CHEMBL1632216,9.3
+Cc1ccc2c(N3CCN(CCc4cccc(N)c4)CC3)cccc2n1,CHEMBL1631534,9.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1631536,9.2
+COc1ccccc1C(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632214,9.2
+CCCS(=O)(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631548,9.2
+Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1,CHEMBL1631544,8.8
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.5
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,6.39
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,5.83
+O=C(Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL1642866,5.87
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,6.91
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,6.44
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.04
+COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CN3c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1,CHEMBL1910792,7.36
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,5.2
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,5.28
+CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1,CHEMBL2181187,5.59
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.63
+CN[C@H](COc1cccc(Cl)c1Cl)c1ccccc1,CHEMBL2260932,5.11
+CN[C@@H](COc1cccc(Cl)c1Cl)c1ccccc1,CHEMBL2260931,5.2
+CN1CCN([C@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1,CHEMBL2260934,5.26
+CNC(C)COc1cc(Cl)ccc1Cl,CHEMBL2260927,5.27
+CNCCOc1cc(Cl)ccc1Cl,CHEMBL2260922,5.42
+CNC(C)COc1ccc(Cl)cc1Cl,CHEMBL2260926,5.54
+CNCCOc1cccc(Cl)c1Cl,CHEMBL2260920,5.69
+CN1CCN([C@@H](COc2cccc(Cl)c2Cl)c2ccccc2)CC1,CHEMBL2260933,5.83
+CNCCOc1ccc(Br)cc1Br,CHEMBL2260923,5.91
+CNC(C)COc1ccc(Br)cc1Br,CHEMBL2260928,5.95
+CNCCOc1ccc(Cl)cc1Cl,CHEMBL2260921,6.01
+CNC(C)COc1cccc(Cl)c1Cl,CHEMBL2260925,6.22
+CNC(C)COc1cccc(Oc2ccccc2)c1,CHEMBL2260930,6.41
+CNC(C)COc1c(Br)cccc1Br,CHEMBL2260929,6.65
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,5.725
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,5.57
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.05
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,6.63
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.16
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058429,5.05
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O,CHEMBL2058419,5.17
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,5.59
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.2
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,7.54
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.07
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,7.0
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,6.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.2
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,6.38
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,6.91
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.35
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,5.89
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,6.34
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,5.85
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,7.55
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,5.58
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,5.07
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,5.42
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,5.54
diff --git a/chembl_200/CHEMBL2001.csv b/chembl_200/CHEMBL2001.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6df9b72acb755875da176c6d5bed72111d574a13
--- /dev/null
+++ b/chembl_200/CHEMBL2001.csv
@@ -0,0 +1,568 @@
+CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O,CHEMBL250847,8.3
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL250687,8.25
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1,CHEMBL266922,8.8
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(=O)O)[C@@H](O)[C@H]3O)c2n1,CHEMBL251041,9.6
+CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL401158,7.1
+CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@@H](O)[C@H]1O,CHEMBL250848,7.7
+OCCO[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,CHEMBL249790,9.2
+OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,CHEMBL249789,8.3
+OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccccc4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,CHEMBL249584,8.3
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1,CHEMBL398434,8.6
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1,CHEMBL398295,8.7
+CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,CHEMBL274713,8.5
+Nc1c(S(=O)(=O)O)cc(Nc2ccccc2O)c2c1C(=O)c1ccccc1C2=O,CHEMBL522725,5.0
+Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1,CHEMBL498229,4.7
+Nc1c(S(=O)(=O)O)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O,CHEMBL524064,4.6
+Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O,CHEMBL256057,5.01
+Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O,CHEMBL271672,5.17
+Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O,CHEMBL271673,5.13
+Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O,CHEMBL524284,4.91
+Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1,CHEMBL498038,5.15
+Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,CHEMBL499580,5.42
+Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,CHEMBL131271,5.61
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diff --git a/chembl_200/CHEMBL2014.csv b/chembl_200/CHEMBL2014.csv
new file mode 100644
index 0000000000000000000000000000000000000000..89542ac98f5a04abe8c7faf029b3d9881c5cb03a
--- /dev/null
+++ b/chembl_200/CHEMBL2014.csv
@@ -0,0 +1,994 @@
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+CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL106366,7.1
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+Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(F)(F)F)cc3)ccc2n1,CHEMBL139776,8.74
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+COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1,CHEMBL140519,7.93
+Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1,CHEMBL343424,7.05
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+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(F)cc2)CC1,CHEMBL109916,6.16
+N#CC1(c2ccccc2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL111628,5.9
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+N#CC1(c2ccccc2)CCN(Cc2cccc3ccccc23)CC1,CHEMBL325774,6.08
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL111233,6.06
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL109598,7.33
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1,CHEMBL112974,7.09
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+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL111105,5.19
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1,CHEMBL330291,9.19
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1,CHEMBL2112346,8.78
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+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112348,9.11
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+CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL186795,6.3
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL421665,5.67
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+O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,CHEMBL364147,5.15
+O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL187183,5.35
+O=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1,CHEMBL435091,5.25
+O=S1(=O)Nc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1,CHEMBL184547,5.46
+O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL184646,6.65
+CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1,CHEMBL184698,6.45
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+COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL364844,7.39
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1,CHEMBL181545,7.2
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1,CHEMBL186822,8.41
+O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,CHEMBL361926,5.73
+O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL362160,7.08
+O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1,CHEMBL184328,7.34
+O=S1(=O)NCc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1,CHEMBL365870,5.58
+O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL184234,7.54
+CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1,CHEMBL184127,8.41
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+CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1,CHEMBL184381,7.4
+O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL184451,6.73
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1,CHEMBL185415,7.48
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1,CHEMBL364398,8.13
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1,CHEMBL182967,8.3
+Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1,CHEMBL424971,7.92
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+Cc1ccc(Cl)c(OC2(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1,CHEMBL434150,5.95
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+Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL182049,6.04
+Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL360972,5.72
+CC(C)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl,CHEMBL182995,6.9
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+Cc1ccc(Cl)c(OC(C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL183603,6.08
+CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL183323,7.22
+CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL182410,7.7
+Cc1ccc(Cl)c(OC(C(C)C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL182144,6.97
+Cc1ccc(Cl)c(OC(C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1,CHEMBL264288,6.34
+Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL178318,7.55
+Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL181342,6.11
+Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1,CHEMBL362240,6.29
+Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)N(C)C)CCCCC2)c1,CHEMBL183918,6.09
+Cc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c1,CHEMBL182819,8.08
+Cc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL360326,7.965
+Cc1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL369786,7.38
+CCc1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL181830,7.43
+CC(C)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F,CHEMBL183135,7.62
+CC(C)c1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL369540,6.95
+Cc1ccc(F)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL361576,7.6
+Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL182202,7.41
+Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL180499,6.66
+Cc1ccc(N)cc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL181389,7.85
+Cc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL183355,7.96
+COc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL262104,8.52
+O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,CHEMBL201945,9.62
+Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21,CHEMBL212525,8.7
+OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,CHEMBL212630,7.03
+Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,CHEMBL379657,7.09
+c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2,CHEMBL379297,8.4
+c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL378633,6.26
+c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1,CHEMBL377402,6.09
+c1cnc2[nH]cc(C3CCN(CC4CCCCC4)CC3)c2c1,CHEMBL211210,5.46
+Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12,CHEMBL208862,7.24
+Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12,CHEMBL427395,6.18
+CN(C)C[C@@H](O)Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21,CHEMBL379971,7.21
+Fc1ccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1,CHEMBL377237,7.28
+CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21,CHEMBL384681,6.01
+Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1,CHEMBL211722,7.74
+Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL211846,6.54
+Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1,CHEMBL378458,6.1
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1,CHEMBL212575,8.0
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1,CHEMBL212574,6.15
+Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL210770,5.94
+Fc1ccc2c(C3=CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1,CHEMBL209399,6.8
+N#Cc1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN,CHEMBL378453,5.78
+OC1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL230033,6.21
+OC1(c2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL230141,5.7
+CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230249,6.49
+c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL229018,6.79
+CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229017,7.14
+CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229016,7.23
+COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228965,7.27
+COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL388122,6.36
+COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,CHEMBL228964,8.52
+OC1(c2ccccc2)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,CHEMBL389666,7.68
+OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL228913,7.38
+OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL228912,8.22
+OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL228911,8.7
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,CHEMBL389665,8.4
+O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL437742,5.17
+OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228858,8.05
+COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228857,9.0
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,CHEMBL228856,6.9
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL388314,7.96
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,CHEMBL228802,8.3
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL228850,6.88
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,CHEMBL390498,7.59
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL228849,8.4
+CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228848,9.22
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL228795,6.65
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,CHEMBL390280,6.45
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,CHEMBL228794,7.92
+Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL228793,7.28
+Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,CHEMBL390279,8.52
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1,CHEMBL228740,7.46
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1,CHEMBL374603,6.49
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1,CHEMBL374602,6.67
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228690,7.89
+O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228738,5.09
+N#CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL387493,5.0
+COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228736,5.72
+CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228687,6.87
+COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228686,6.53
+OCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230039,5.39
+OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1,CHEMBL397945,7.8
+OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1,CHEMBL231608,7.39
+CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL231607,7.74
+CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL413791,8.05
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230253,7.85
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL390882,8.3
+CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230145,7.72
+CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL433814,6.87
+CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232286,9.22
+CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232285,9.05
+CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232076,8.66
+OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232075,8.72
+OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL394222,8.23
+CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232074,7.92
+CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL231866,8.7
+CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL437177,8.39
+CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232478,7.82
+CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232477,9.15
+CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21,CHEMBL233957,8.26
+NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,CHEMBL233535,8.34
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,CHEMBL233956,8.74
+NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,CHEMBL400036,8.02
+NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL233955,9.3
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL233750,9.3
+NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,CHEMBL233749,6.17
+Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,CHEMBL233748,6.96
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL400035,9.3
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL233536,8.96
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL398794,9.3
+Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233327,9.15
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233503,8.8
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL441914,9.3
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233326,9.4
+NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1,CHEMBL234581,6.34
+OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393971,6.5
+OC1(c2nccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233820,5.9
+Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393356,7.82
+OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233323,7.32
+OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231874,6.87
+OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231664,5.78
+OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231661,5.66
+OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL394695,7.77
+CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234773,5.94
+CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234771,7.21
+CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL397761,7.64
+CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233721,6.36
+OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL398039,6.42
+OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233502,7.8
+N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL233501,5.84
+CN(C)c1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL234761,5.34
+COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL401234,6.23
+COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL233494,6.74
+COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233493,7.07
+CCCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL233287,5.04
+CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393675,5.76
+CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL234543,5.89
+Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393985,7.26
+Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL437380,7.57
+Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232273,7.96
+OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232067,7.29
+OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL392753,7.62
+OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232066,7.85
+OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL395838,7.64
+OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232476,7.47
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL2372052,10.26
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL409969,10.55
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL269068,9.75
+CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O,CHEMBL391631,8.7
+COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1,CHEMBL391650,8.7
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238819,7.64
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238818,8.52
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL393138,7.92
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238600,7.54
+C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238602,7.92
+COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL241157,7.7
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1,CHEMBL241155,7.82
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL399393,6.81
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL240941,7.7
+CCCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240298,7.54
+CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240086,7.72
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+Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1,CHEMBL471301,7.31
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+Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O,CHEMBL472304,8.43
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+CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1,CHEMBL518922,7.24
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+O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21,CHEMBL487485,8.96
+O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21,CHEMBL486644,9.33
+O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21,CHEMBL487458,7.96
+Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O,CHEMBL487457,7.68
+Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O,CHEMBL488655,7.29
+CC(=O)NC[C@@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084527,7.7
+NC(=O)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084528,8.4
+NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084529,8.15
+NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084530,7.82
+NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084531,7.54
+Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084532,8.22
+COc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084533,7.66
+NC(=O)[C@@]1(c2ccc(N)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084534,7.51
+NC(=O)[C@@]1(c2ccc(O)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084535,7.14
+N#Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084536,7.12
+NC(=O)[C@@]1(c2ccc(C(F)(F)F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084537,6.91
+NC(=O)c1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084538,6.4
+NC(=O)[C@@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084540,8.0
+NC(=O)[C@@]1(c2cc(F)cc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084541,7.82
+NC(=O)[C@@]1(c2nc(F)ccc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084542,7.8
+NC(=O)[C@@]1(c2ncc(F)cc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084543,7.33
+NC(=O)[C@@]1(c2cc(F)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084544,8.05
+NC(=O)[C@@]1(c2cc(CF)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084545,7.72
+N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084547,8.0
+N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084548,8.15
+CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084549,8.22
+CC(=O)N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084550,8.0
+COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084551,8.0
+COC(=O)NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511232,7.92
+COC(=O)N[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084552,7.92
+CN(C)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084553,7.38
+NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084526,8.52
+NC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084554,8.0
+NC(=O)C[C@@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084555,8.52
+NC(=O)C[C@@]1(Cc2ccc(O)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084556,7.77
+N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084557,7.44
+COC(=O)N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084558,7.25
+NC(=O)[C@@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084559,8.52
+NC(=O)[C@@]1(c2ccncc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084560,7.1
+NC(=O)[C@@]1(c2ccc(Br)nc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084561,7.89
+NC(=O)C1(C2CCCCN2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512962,7.77
+C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1,CHEMBL467933,6.85
+C[C@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1,CHEMBL467676,5.8
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1,CHEMBL511920,8.64
+OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1,CHEMBL466846,8.12
+Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2,CHEMBL513136,9.52
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466847,8.47
+OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511374,8.52
+Cc1ccnc(C2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)c1,CHEMBL466126,8.14
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1,CHEMBL467488,8.57
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1,CHEMBL512411,8.28
+COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1,CHEMBL466066,7.89
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1,CHEMBL466067,8.72
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1,CHEMBL506634,8.44
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCN2Cc2ccccc2)C3)c(Cl)c1,CHEMBL513303,7.85
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1,CHEMBL466679,8.52
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(CCCO)C3)c(Cl)c1,CHEMBL512247,8.13
+OC1(c2cccnc2)C2CCC1CN(C(c1ccccc1Cl)c1ccccc1Cl)C2,CHEMBL512982,6.04
+Cc1ccnc(C2(O)C3CCC2CN(C(c2ccccc2Cl)c2ccccc2Cl)C3)c1,CHEMBL466082,6.41
+COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512950,8.1
+OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL468952,8.22
+FCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL506803,5.5
+N#CC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL468953,7.0
+O=C(O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL513471,8.52
+NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512414,8.77
+COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467313,8.22
+NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512258,8.4
+CNC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467314,8.7
+O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1,CHEMBL466919,7.96
+Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(c1ccccc1)(c1nnc[nH]1)C2,CHEMBL513660,8.28
+O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467119,7.7
+NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466921,7.8
+NC(=O)C1(c2ccc(Cl)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467131,7.51
+NC(=O)C1(c2ccc(Br)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511223,7.4
+COc1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL512612,7.66
+NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466469,6.55
+NC(=O)c1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL467494,6.17
+CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467497,8.31
+CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL513667,8.15
+CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467699,8.0
+COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466693,8.09
+CC(O)CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466694,7.96
+CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481512,10.07
+CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL518950,9.7
+CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481366,10.0
+CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL501331,9.62
+CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481367,9.82
+CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481547,9.66
+CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481548,8.77
+CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481707,9.28
+CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL519100,9.2
+CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480425,9.52
+CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480426,9.74
+CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1,CHEMBL519925,8.68
+CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1,CHEMBL480619,8.6
+O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL46516,6.3
+CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL510201,7.51
+CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474091,7.08
+CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL475308,7.47
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514606,7.24
+CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL472676,7.18
+O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL472677,7.08
+O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL515901,7.28
+O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL515554,7.05
+C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474708,6.63
+C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514965,6.69
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475496,7.31
+CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475497,7.25
+COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516077,7.71
+O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL473884,7.73
+COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516024,7.59
+NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL472867,7.32
+CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL473068,8.39
+CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475096,8.68
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL518325,8.59
+O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL456225,8.06
+O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL510745,8.3
+CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL460636,8.46
+O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL517265,8.43
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C,CHEMBL499169,7.92
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL515829,8.67
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL457244,8.56
+O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL501088,8.42
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL457451,8.65
+O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464191,8.49
+O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464192,8.1
+CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL517167,9.1
+CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL515142,9.15
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475707,9.15
+O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL472669,9.3
+O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL516389,9.3
+CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL514662,9.22
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475310,9.3
+CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473700,9.4
+CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473701,9.0
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL473904,8.64
+CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL471262,8.27
+CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL511649,8.35
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21,CHEMBL474283,8.77
+CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474485,8.68
+CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474687,8.8
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL514489,8.85
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL515091,9.05
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL514463,9.05
+CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473272,9.0
+C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL475094,9.05
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21,CHEMBL474092,8.82
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21,CHEMBL473278,9.1
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473279,9.3
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C,CHEMBL473280,8.17
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL473898,8.85
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474096,9.3
+CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL515575,9.4
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL471882,9.15
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21,CHEMBL511162,8.44
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O,CHEMBL516187,7.8
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O,CHEMBL511161,8.74
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O,CHEMBL471880,9.22
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O,CHEMBL472086,7.91
+NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349273,8.22
+CNC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349274,8.0
+CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349275,7.77
+CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349276,7.7
+COC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349277,7.7
+CC(=O)N(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349278,6.68
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@@](CN1CCCC1)(c1ccccc1)C2,CHEMBL3349279,7.15
+O=C1CCCN1C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349280,7.17
+CC(=O)NC[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349281,7.51
+COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL3349282,6.93
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@]1(CNc3ccccc31)C2,CHEMBL3349283,7.3
+Fc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349284,7.41
+Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349285,7.13
+NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349286,7.96
+CC(=O)NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349287,7.92
+CCNC[C@@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349245,7.41
+CN(C)C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349246,7.26
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@](Cc1ccccc1)(CN1CCCC1)C2,CHEMBL3349247,6.94
+O=C1CCCN1C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349254,6.47
+NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349260,7.47
+CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349261,7.82
+Fc1ccc(C[C@@]2(CN3CCCC3)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL3349262,7.24
+NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349263,8.15
+CC(=O)NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349248,8.3
+CCNC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349249,8.22
+CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349250,8.15
+NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349255,7.54
+CC(=O)NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349256,7.62
+CN(C)C[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349257,6.98
+COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3349272,7.96
+COc1cccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3349258,8.4
+CCNC[C@]1(c2cccc(OC)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349264,7.7
+Cc1cccnc1[C@@]1(CN)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349265,7.3
+CC(=O)NC[C@]1(c2ncccc2C)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349266,6.76
+NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349267,6.61
+CC(=O)NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349268,6.17
+COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3349269,7.21
+CC(=O)NC[C@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349270,7.57
+CC(=O)NC[C@]1(c2ccc(N3CCCCC3)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349271,7.0
+NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349251,7.09
+CC(=O)NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349252,7.46
+NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349253,7.77
+CC(=O)NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349259,7.57
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2,CHEMBL3084634,8.3
+Fc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084673,7.47
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2,CHEMBL3084656,7.66
+Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084648,7.85
+Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084655,7.62
+CSc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084666,7.64
+Cc1cccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084672,7.54
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1Br)C2,CHEMBL3084660,6.33
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2,CHEMBL3084669,8.15
+Cc1ccnc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1,CHEMBL3084635,7.74
+Fc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084661,7.6
+Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084667,8.0
+COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084636,8.05
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2,CHEMBL3084668,8.05
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2,CHEMBL3084637,8.3
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2,CHEMBL3084642,7.16
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2,CHEMBL3084649,8.22
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cnco1)C2,CHEMBL3084657,6.57
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2,CHEMBL561373,8.7
+CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084677,9.0
+CC(=O)N1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL551454,7.15
+N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL561115,8.52
+OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL551111,8.7
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1,CHEMBL611929,8.38
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080485,9.15
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080484,7.51
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,CHEMBL1080483,8.15
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,CHEMBL1079943,8.3
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O,CHEMBL1079942,8.11
+CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O,CHEMBL1079941,7.66
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL1079940,7.36
+CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,CHEMBL1079418,6.53
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O,CHEMBL1079417,6.95
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O,CHEMBL1079416,6.64
+CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21,CHEMBL1081741,5.67
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,CHEMBL1079571,8.6
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,CHEMBL1079400,9.22
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O,CHEMBL1080464,8.64
+CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21,CHEMBL1080463,7.55
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL1076242,8.19
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL1081192,8.54
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O,CHEMBL1081191,7.96
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,CHEMBL1082092,7.68
+CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,CHEMBL1076208,6.97
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21,CHEMBL1079562,7.8
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21,CHEMBL1079561,6.34
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc21,CHEMBL1080273,5.39
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3nccc4ccccc34)CC2)c2ccccc21,CHEMBL1080521,5.98
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21,CHEMBL1080520,7.74
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21,CHEMBL1080508,8.57
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21,CHEMBL1080507,7.54
+CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21,CHEMBL1088569,6.73
+CNC(=O)Cn1c(=O)n(C2CCN(CCCC(C)C)CC2)c2ccccc21,CHEMBL1076500,6.33
+CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)C)CC2)c2ccccc21,CHEMBL1076499,5.95
+CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL1087370,6.59
+CNC(=O)Cn1c(=O)n(C2CCN(CC3CCC3)CC2)c2ccccc21,CHEMBL1087369,5.59
+CNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCC3C4)CC2)c2ccccc21,CHEMBL1076484,6.31
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21,CHEMBL1087278,8.46
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21,CHEMBL1087277,6.6
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3(C)C)CC2)c2ccccc21,CHEMBL1087276,8.33
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,CHEMBL1087658,8.26
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,CHEMBL1087657,8.77
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21,CHEMBL1087532,8.28
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3(C)C)CC2)c2ccccc21,CHEMBL1087531,7.21
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC4(CCCCC4)C3)CC2)c2ccccc21,CHEMBL1088171,8.89
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21,CHEMBL1088036,9.7
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL1086749,7.82
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21,CHEMBL1086622,7.46
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21,CHEMBL1081375,6.64
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21,CHEMBL1081374,6.33
+OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650844,8.84
+OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650845,8.18
+COC(=O)C1(N2CCC(n3c(N4CCN(C)CC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650846,7.09
+CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1,CHEMBL1650847,8.37
+CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1,CHEMBL1650841,8.34
+CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1,CHEMBL1650848,9.02
+OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650843,9.82
+OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650842,9.14
+OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCC1,CHEMBL1650849,8.37
+O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1,CHEMBL1650851,8.37
+N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12,CHEMBL1783817,7.23
+N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12,CHEMBL1783818,7.23
+O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12,CHEMBL1783819,7.22
+CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@H]1CCCN1Cc1ccccc1,CHEMBL1783820,5.94
+c1ccc(CN2CCC[C@@H]2CNCCCN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL1783821,7.31
+O=C(OCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1,CHEMBL1783822,6.97
+c1ccc(CN2CCC[C@@H]2COCCCN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL1783823,6.8
+O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1,CHEMBL1783826,9.14
+O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCN1Cc1ccccc1,CHEMBL1783827,7.08
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL511142,6.89
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+Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064130,8.26
+CCOc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064132,6.89
+CCC(CC)N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064137,7.0
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1,CHEMBL2064139,7.58
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2F)CC1,CHEMBL2064140,7.58
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1,CHEMBL2064141,7.5
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(C2CCCCC2)CC1,CHEMBL2064143,6.54
+Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064145,7.94
+Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064156,8.52
+CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1,CHEMBL2064157,7.87
+CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1,CHEMBL2064158,8.01
+Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064159,8.42
+Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064160,9.02
+CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088029,9.86
+CC(C)NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088030,9.64
+CC(C)NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088031,8.345
+NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2086410,9.97
+NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088032,8.25
+CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088033,9.79
+CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2086647,8.27
+CN(C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1,CHEMBL2088062,9.71
+CN(C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1,CHEMBL2088061,10.17
+CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088059,9.4
+CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088058,10.04
+CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2088057,9.87
+CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12,CHEMBL2088056,9.9
+NC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12,CHEMBL2088054,10.43
+CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12,CHEMBL2088053,9.91
+CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1ccsc12,CHEMBL2088043,8.29
+CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12,CHEMBL2088041,8.74
+CN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)OCCc1ccsc12,CHEMBL2088040,8.03
+CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1,CHEMBL2088038,8.13
+CN(C)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12,CHEMBL2088037,8.79
+Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O,CHEMBL559569,9.6
+COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O,CHEMBL2088036,7.89
+CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21,CHEMBL2088035,9.47
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CC[C@@H]3CCCc4cccc1c43)CC2,CHEMBL2088034,8.95
+NC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204354,7.77
+CC(C)N(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204346,7.99
+CNC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204348,8.04
+CNC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204349,8.27
+NC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204353,10.0
+CNC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12,CHEMBL2204347,10.05
+O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1,CHEMBL2387190,6.67
+CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387200,7.39
+CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387192,7.57
+CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL2387198,7.69
+O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL2387199,7.73
+CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387189,7.82
+CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387195,7.9
+O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1,CHEMBL2387193,7.94
+CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387191,8.0
+CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387197,8.06
+CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387188,8.12
+CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387194,8.19
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387196,8.28
+CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387187,8.4
+Cc1nn(-c2ncccc2-c2ncc[nH]2)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12,CHEMBL3236486,10.04
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262361,6.71
+CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262088,6.98
+CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262362,6.73
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262091,6.4
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262089,7.36
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccncc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262377,5.33
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262372,7.12
+O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262542,8.68
+O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262543,8.47
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262544,8.5
+CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262545,8.52
+CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21,CHEMBL3262546,8.06
+CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21,CHEMBL3262547,7.92
+CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21,CHEMBL3262548,7.95
+CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL3262549,7.12
+CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21,CHEMBL3262551,6.72
+CN(C)[C@]1(c2ccccc2)CC[C@@](O)(c2ccccc2)CC1,CHEMBL3325745,6.69
+CN(C)[C@]1(c2ccccc2)CC[C@@](O)(Cc2ccccc2)CC1,CHEMBL3325746,5.8
+CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1,CHEMBL3325747,8.36
+CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1,CHEMBL3325748,7.11
+CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1,CHEMBL3325749,6.54
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1,CHEMBL3325751,8.0
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2ccccc2)CC1,CHEMBL3325878,8.13
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCCc2ccccc2)CC1,CHEMBL3325879,9.3
+CN(C)C1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1,CHEMBL3325880,8.27
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1,CHEMBL3325881,8.72
+CN(C)[C@]1(c2ccccc2)CC[C@@H](N)CC1,CHEMBL3325882,6.92
+CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1,CHEMBL3325883,6.96
+CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCOCC2)CC1,CHEMBL3326219,6.09
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1,CHEMBL3326220,9.3
+CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1,CHEMBL3326221,8.27
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1,CHEMBL3326222,8.96
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1,CHEMBL3326223,9.4
+CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12,CHEMBL3326224,9.76
+COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1,CHEMBL3325962,8.03
+CN(C)[C@]1(c2ccccc2)CC[C@@]2(CCCc3c4ccccc4[nH]c32)CC1,CHEMBL3326231,8.9
+CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)c1[nH]c3ccccc3c1CCN2C,CHEMBL3326229,9.26
+CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12,CHEMBL3326228,9.72
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309515,5.89
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CCc1ccccc1,CHEMBL3309516,5.82
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1,CHEMBL3309518,6.06
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581740,7.01
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3580675,5.9
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581741,7.1
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581743,7.47
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581750,7.1
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581751,6.09
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581752,6.62
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581753,7.25
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581754,7.25
+COc1ccc([C@@H](O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,CHEMBL3581755,7.59
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581756,7.32
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581757,7.21
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581760,7.36
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581761,6.24
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+O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O,CHEMBL3647961,6.75
+O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O,CHEMBL3647960,8.05
+O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O,CHEMBL3647958,8.62
+C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2,CHEMBL3647962,8.96
+O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O,CHEMBL3647963,7.37
+CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1,CHEMBL3665429,6.21
+CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,CHEMBL3665430,5.81
+O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O,CHEMBL3665423,8.05
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1,CHEMBL3665427,7.49
+O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665421,7.94
+O=c1[nH]c2c(F)cccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665420,7.2
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccc(F)c2N1,CHEMBL3665426,6.64
+NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21,CHEMBL3665424,6.34
+CN1C(=O)CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL3665434,5.82
+CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL3665432,6.54
+N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL3665433,7.28
+O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665436,6.23
+O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,CHEMBL3665439,8.4
+O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,CHEMBL3665440,7.89
+O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1,CHEMBL3670294,6.76
+O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2C=CCCCCC2)c1=O,CHEMBL3665443,8.25
+O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2C=CCCCCC2)c1=O,CHEMBL3665444,7.25
+O=c1nc2[nH]cccc-2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665435,7.05
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1,CHEMBL3665441,7.29
+O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCCCC1,CHEMBL3665437,5.75
+O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCOCC1,CHEMBL3665438,5.71
+O=C(NCc1ccccc1)C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1,CHEMBL3670298,5.75
+COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN(C2C=CCCCCC2)CC1,CHEMBL3670295,4.78
+COc1ccc2c(n1)N(C1CCN(C3C=CCCCCC3)CC1)C(=O)CC(=O)N2,CHEMBL3670296,5.22
+COC(=O)c1ccc2c(c1)N(C1CCN(C3CCCCCCC3)CC1)C(=O)CC(=O)N2,CHEMBL3665431,4.4
+COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1,CHEMBL3670297,7.17
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1,CHEMBL3665425,7.45
+O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665419,7.19
+CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O,CHEMBL3665428,6.21
+CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL3665422,7.64
+CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL3659471,5.36
+Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1,CHEMBL3786469,8.45
+Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1,CHEMBL3785952,8.5
+c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3786899,8.07
+CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3786338,7.72
+CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3787051,7.53
+Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785560,8.66
+Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785095,8.76
+Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785718,8.62
+Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2,CHEMBL3785728,7.99
+c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2,CHEMBL3785605,8.25
+c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3787174,8.26
+NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3785839,7.74
+CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3809510,9.28
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3808415,7.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3808398,7.57
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3810104,7.42
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3808523,7.33
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3810101,7.41
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL3808650,10.3
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL3810319,10.4
diff --git a/chembl_200/CHEMBL2034.csv b/chembl_200/CHEMBL2034.csv
new file mode 100644
index 0000000000000000000000000000000000000000..ad31c326741116ca371ee7cb3a44bbd9e383f417
--- /dev/null
+++ b/chembl_200/CHEMBL2034.csv
@@ -0,0 +1,658 @@
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3,CHEMBL137103,6.76
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)c(F)c1)Oc1ccccc1-3,CHEMBL342426,6.63
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,CHEMBL302362,6.25
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL717,7.933
+CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL1908373,7.38
+C[C@@](O)(c1ccc(F)cc1)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL311662,8.6
+C[C@@](O)(c1ccsc1)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL310570,9.1
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277,7.08
+CCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415524,6.57
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3,CHEMBL336353,6.31
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3,CHEMBL413309,6.49
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3,CHEMBL337856,6.63
+COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL335996,6.56
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,CHEMBL130141,6.63
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3,CHEMBL336169,6.85
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL134602,6.68
+CSc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL422444,6.41
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,CHEMBL132363,6.06
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccc(F)cc1-3,CHEMBL336736,6.63
+C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51093,5.49
+C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51639,5.61
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])cc1,CHEMBL50023,5.27
+C=C1CCCC(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL417729,5.75
+C=C1CCCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51669,5.75
+C=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48745,5.34
+C=C1C[C@H](CO)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL296156,5.19
+C=C1C=C(C)CC(C)(C)C1(O)Cc1ccc([N+](=O)[O-])cc1,CHEMBL2113712,5.07
+C=C1C[C@H](C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL50454,5.78
+C=C1CCCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48858,5.66
+C=C1C=C(C)CC(C)(C)C1Cc1ccc2nonc2c1,CHEMBL50786,5.08
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL54270,5.66
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])c(C)c1,CHEMBL299512,5.17
+C=C1C=C(C)CC(C)(C)C1Sc1ccc([N+](=O)[O-])cc1,CHEMBL49754,5.09
+CCOC1=CC(=O)C(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1,CHEMBL49966,5.0
+C=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48358,5.56
+C=C1C[C@H](C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL53549,5.98
+C=C1CCC[C@H](C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL299778,5.43
+C=C1C=C(C)CC(C)(C)C1C/C=C/c1cc(OC)c(Br)cc1O,CHEMBL49978,5.35
+C=C1C=C(C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL51933,5.62
+COc1cc(CC2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br,CHEMBL50849,5.59
+C=C1CCC[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51788,5.64
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48746,5.9
+C=C1C(C)=CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL50619,5.39
+C=C1C=C(C)C(Cc2cc(OC)c(Br)cc2O)C(C)(C)C1,CHEMBL299828,5.57
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3,CHEMBL104183,8.2
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL94753,7.85
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(F)cc1-3,CHEMBL94749,6.68
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(F)cc1-3,CHEMBL416411,6.88
+O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,CHEMBL78646,6.8
+Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1,CHEMBL77779,10.0
+CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C,CHEMBL78704,10.0
+O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL310180,8.22
+COc1cccc2c1-c1ccc3c(c1C(Cc1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL343135,8.09
+C/C=C\C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138197,7.74
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OCSC)c1)O2)C(C)=CC(C)(C)N3,CHEMBL97206,8.4
+CCOC(=O)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138003,7.6
+COc1cccc2c1-c1ccc3c(c1CO2)C(C)=CC(C)(C)N3,CHEMBL140553,6.68
+CCCCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL140336,8.43
+COc1cccc2c1-c1ccc3c(c1C(C)O2)C(C)=CC(C)(C)N3,CHEMBL141836,7.3
+CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL141344,7.85
+COc1cccc2c1-c1ccc3c(c1C(CCN(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL141426,7.21
+COc1cccc2c1-c1ccc3c(c1C(CC(=O)N(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL141361,6.29
+COc1cccc2c1-c1ccc3c(c1C(C1CCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL337112,8.68
+COc1cccc2c1-c1ccc3c(c1C(CCO)O2)C(C)=CC(C)(C)N3,CHEMBL138957,6.97
+COc1cccc2c1-c1ccc3c(c1C(C(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL141282,8.05
+C=CCCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL141915,8.09
+C#CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138098,8.57
+CNC(=O)CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138753,5.49
+COc1cccc2c1-c1ccc3c(c1C(C1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL141524,8.0
+CCCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL336041,8.3
+COc1cccc2c1-c1ccc3c(c1C(CC(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL137982,8.02
+C/C=C/C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL137890,8.05
+C=CCC1Oc2ccc(F)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7988,8.42
+C=CCC1Oc2c(Br)cc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7781,8.64
+C=CCC1Oc2c(Br)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7817,8.39
+C=CCC1Oc2cccc(NC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL440454,8.15
+C=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL268239,8.64
+C=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8007,8.72
+C=CCC1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267231,8.66
+C=CCC1Oc2cccc(C#N)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8209,8.03
+C=CCC1Oc2cccc(CN)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8340,6.85
+C=CCC1Oc2ccc(Cl)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7987,8.27
+C#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL266488,7.86
+C=CCC1Oc2cccc(COC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267670,7.74
+C=CCC1Oc2cccc(SC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8394,8.28
+C#Cc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL7671,8.16
+C=CCC1Oc2cccc(C(=O)OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7844,6.4
+C=CCC1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266709,7.56
+C=CCC1Oc2ccc(OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL274208,7.92
+C=CCC1Oc2ccc(CO)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8637,8.18
+C#CCOc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL8360,8.38
+C=CCC1Oc2c(C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7655,8.7
+C=CCC1Oc2cccc(OCC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8026,7.19
+C=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8140,9.02
+C=CCC1Oc2c(C=C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415309,7.47
+C=CCC1Oc2cccc(OCC3CC3)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8359,5.68
+C=CCC1Oc2ccc(Br)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8027,8.27
+C=CCC1Oc2ccc(OCC#N)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8055,7.29
+C=CCOc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL8139,7.06
+C=CCC1Oc2ccc(OCC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7966,6.31
+C=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7843,8.55
+C=CCC1Oc2cccc(OCc3ccccc3)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8131,5.22
+C=CCC1Oc2cccc(C=C)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267940,8.36
+C=CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL8329,7.92
+C=CCC1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL273658,9.24
+CCCCC1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114941,7.29
+CCCCC1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL322108,6.89
+CCCCC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL326092,6.27
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(Cl)cc1-3,CHEMBL286446,6.44
+CCCCC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL112987,6.4
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(F)cc1-3,CHEMBL116007,6.13
+CC1=CC(C)(C)Nc2ccc3c(c21)C(CCC(C)C)Oc1ccccc1-3,CHEMBL114607,6.8
+CCCOC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL116221,6.59
+CCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL325221,6.09
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL134421,6.52
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL32812,6.74
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL286158,6.6
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL34015,6.04
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL32603,6.17
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL284475,6.6
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL36564,6.71
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL35525,6.06
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL285705,6.04
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34824,5.33
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL35429,6.48
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL36065,6.59
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(Cl)cc1-3,CHEMBL318409,8.03
+COc1ccc2c(c1)-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL317983,7.74
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL95644,7.96
+COc1ccc2c(c1)OC(c1ccccc1)c1c-2ccc2c1C(C)=CC(C)(C)N2,CHEMBL99128,5.74
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OC(=O)N(C)C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL317578,8.62
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3,CHEMBL101914,6.81
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL103232,7.17
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL318513,7.36
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3,CHEMBL103092,7.22
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL320690,7.24
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3,CHEMBL317921,7.23
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286595,6.82
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(C)cc(Br)c1)Oc1ccccc1-3,CHEMBL101907,7.38
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(F)c1)Oc1ccccc1-3,CHEMBL102754,7.41
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccccc1-3,CHEMBL102720,6.83
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL102403,7.1
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL430855,7.47
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3,CHEMBL102541,7.0
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,CHEMBL166444,8.02
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1162,6.71
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6CC[C@@H]5C4)cc3)C[C@@]21C,CHEMBL406064,9.61
+C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL410683,6.6
+C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL402063,6.65
+C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,CHEMBL389621,7.92
+CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL224204,5.09
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL388997,5.19
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227440,5.07
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1,CHEMBL227784,5.06
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F,CHEMBL227783,5.04
+Cn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O,CHEMBL228269,5.35
+O=c1[nH]c(N2CCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL396253,7.33
+CC(=O)Nc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1,CHEMBL231500,7.34
+O=c1[nH]c(N2CCC(c3ccc(Cl)cc3)CC2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL231298,6.99
+COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1,CHEMBL231296,8.15
+COc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1,CHEMBL396231,7.35
+N#Cc1cccc(Cc2c(N3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1,CHEMBL427265,7.43
+Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230988,6.64
+Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230885,6.81
+Cn1c(=O)[nH]c(N2CCN(c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL438503,6.33
+Cn1c(=O)[nH]c(N2CCC(O)(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230461,6.44
+Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230247,7.11
+CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL428922,8.36
+CO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL397920,8.96
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,CHEMBL397919,9.22
+COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL395716,9.7
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL394369,9.15
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(=O)N1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL243455,8.85
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)O)O2)C(C)=CC(C)(C)N3,CHEMBL244537,8.92
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(O)C(F)(F)F)O2)C(C)=CC(C)(C)N3,CHEMBL243656,8.85
+C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL467888,5.08
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1/C=N/O)O2)C(C)=CC(C)(C)N3,CHEMBL3706941,8.82
+COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL3706942,9.22
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL3706940,9.3
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1S(=O)(=O)N1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL3706939,7.03
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1C(=O)N1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL3706938,9.05
+CCN(CC)Cc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL3706937,8.51
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1C(=O)N(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL3706936,8.62
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1-c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706935,8.17
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1C)O2)C(C)=CC(C)(C)N3,CHEMBL3706934,8.77
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1Cl)O2)C(C)=CC(C)(C)N3,CHEMBL3706933,7.82
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1F)O2)C(C)=CC(C)(C)N3,CHEMBL3706932,9.1
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)n1)O2)C(C)=CC(C)(C)N3,CHEMBL3706962,8.8
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1C(=O)N(C)C)O2)C(C)=CC(C)(C)N3,CHEMBL3706961,8.47
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(F)cc4c1OCOC4)O2)C(C)=CC(C)(C)N3,CHEMBL3706960,9.05
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C(F)(F)F)c1C)O2)C(C)=CC(C)(C)N3,CHEMBL3706959,8.59
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(OC(F)(F)F)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706958,8.37
+COc1ccc(/C=C2\Oc3ccc(O)c(OC)c3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL3706957,8.57
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(O)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706956,8.96
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(-c4ccccc4)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706955,8.36
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(C(C)C)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706954,8.54
+CCc1ccc(/C=C2\Oc3ccc(O)c(OC)c3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL3706953,8.72
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(C)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706952,8.72
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(Cl)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL3706951,8.77
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(-c4cccnc4)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706950,8.82
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(-c4ccsc4)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706949,8.51
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(Oc4ccccc4)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706948,8.34
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(OC(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706947,8.39
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(O)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706946,8.85
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(-c4ccccc4)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706945,8.14
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706944,8.57
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706943,8.6
+C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235206,8.14
+COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2C1C1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21,CHEMBL237122,5.75
+C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391439,6.41
+C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235209,6.78
+C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(C)(=O)OCC)cc3)C[C@@]12C,CHEMBL413806,7.22
+C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]12C,CHEMBL400047,7.25
+C[C@]12C[C@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1,CHEMBL400791,7.7
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]21C,CHEMBL250751,8.05
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C[C@@]21C,CHEMBL251303,8.52
+C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]21C,CHEMBL250750,8.0
+C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C[C@@]21C,CHEMBL250512,8.0
+O=C1C=C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247601,6.79
+O=C1C=C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2(Cc2ccccc2)CC1,CHEMBL247049,6.36
+O=C1C=C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247050,6.71
+Cc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL397050,7.0
+N#Cc1ccccc1S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL391182,6.0
+O=C1C=C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2(Cc2ccccc2)CC1,CHEMBL247233,5.35
+O=C1C=C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2(Cc2ccccc2)CC1,CHEMBL247417,5.52
+O=C1C=C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2(Cc2ccccc2)CC1,CHEMBL247418,5.9
+O=C1C=C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2(Cc2ccccc2)CC1,CHEMBL392667,6.1
+COc1cccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)c1,CHEMBL247419,6.71
+COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247599,6.67
+COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1OC,CHEMBL247600,5.89
+O=C1C=C2CCN(S(=O)(=O)Nc3ccccc3)CC2(Cc2ccccc2)CC1,CHEMBL393265,5.92
+O=C1C=C2CCN(Cc3ccccc3)CC2(Cc2ccccc2)CC1,CHEMBL247048,5.43
+COc1ccc(CN2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247231,5.65
+O=C1C=C2CCN(S(=O)(=O)c3ccccc3)CC2(Cc2ccccc2)CC1,CHEMBL393061,6.65
+O=C1C=C2CCN(S(=O)(=O)c3ccc(N4CCOCC4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247604,7.19
+CN(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247603,6.95
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247602,6.12
+CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL395595,6.86
+CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247421,6.02
+CS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)c1,CHEMBL247420,5.68
+CS(=O)(=O)Nc1ccccc1S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL247236,5.71
+O=C1C=C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247235,7.26
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(N)cc3)C2)cc1,CHEMBL247814,7.0
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(C#N)cc3)C2)cc1,CHEMBL247812,7.19
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc([N+](=O)[O-])cc3)C2)cc1,CHEMBL247634,7.35
+COc1cccc(CC23CCC(=O)C=C2CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C3)c1,CHEMBL250288,7.12
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCCC3)C2)cc1,CHEMBL429913,8.715
+COCCNC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL270143,8.755
+COCCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL404183,8.95
+COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL270575,9.185
+CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL271221,8.91
+O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1,CHEMBL257669,8.0
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccccc1F)C2,CHEMBL256383,7.47
+Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C)C1,CHEMBL403762,7.66
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,CHEMBL259820,8.62
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258191,9.32
+Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258193,8.36
+Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL404496,7.62
+Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL402362,6.34
+Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)CC(C)(C)N2,CHEMBL134260,7.37
+COc1ccc2cc[nH]c2c1-c1cc(C)c2c(c1Cl)C(C)CC(C)(C)N2,CHEMBL253745,8.82
+Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL429842,8.74
+Cc1cc(-c2cc(F)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL403274,9.1
+Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL257152,8.89
+Cc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL438885,7.62
+Cc1cc(-c2ccc(Cl)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL404879,6.88
+COc1ccc(-c2cc(C)c3c(c2Cl)C(C)CC(C)(C)N3)c2[nH]ccc12,CHEMBL404640,6.96
+Cc1cc(-c2cccc3c(C)c[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL256787,7.96
+Cc1cc2cccc(-c3cc(C)c4c(c3Cl)C(C)CC(C)(C)N4)c2[nH]1,CHEMBL443847,7.05
+Cc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL427899,7.1
+CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12,CHEMBL514185,6.8
+CC1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL475159,8.54
+Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)n1,CHEMBL472800,8.06
+Cc1nc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)sc1C,CHEMBL514455,7.65
+CCC1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL472801,8.41
+O=C(Nc1nccs1)C1(CCO)CC2c3ccccc3C1c1ccccc12,CHEMBL474771,6.52
+CN(C(=O)C1(C)CC2c3ccccc3C1c1ccccc12)c1nccs1,CHEMBL474965,7.08
+CC1(C(=O)Nc2ncc[nH]2)CC2c3ccccc3C1c1ccccc12,CHEMBL474381,7.03
+CC1(C(=O)Nc2nncs2)CC2c3ccccc3C1c1ccccc12,CHEMBL515738,8.27
+C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL514646,8.89
+C[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL474576,7.58
+C[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12,CHEMBL473801,9.05
+C[C@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12,CHEMBL473802,7.42
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1,CHEMBL583858,7.64
+C=CCC(O)C1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3CC21C,CHEMBL566391,8.075
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC2[C@@H](O)c1csc2ccccc12,CHEMBL572356,8.74
+C=CC[C@H](O)C1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL583629,8.41
+C[C@@](O)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL584258,8.7
+CO[C@](C)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL566818,7.48
+C[C@@](O)(c1ccc(F)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL577945,8.7
+C[C@@](O)(c1ccccc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL569544,9.0
+Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL576472,8.7
+Cc1cccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)c1,CHEMBL566575,8.6
+C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567027,8.7
+C[C@@](O)(c1cccc(C#N)c1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL566600,9.0
+C[C@@](O)(c1ccc(C#N)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL572357,8.6
+C[C@@](O)(c1ccccn1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL583859,7.51
+C[C@@](O)(c1cccnc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL583625,8.7
+C[C@@](O)(c1ccncc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL566823,8.7
+Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567028,8.7
+Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)s1,CHEMBL572329,8.82
+C[C@@](O)(c1ccc(Cl)s1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL572330,8.4
+C[C@@](O)(c1ccsc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL569044,9.0
+C[C@@](O)(c1nccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL569290,8.52
+C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL565320,8.37
+CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL566387,8.1
+C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL568868,7.33
+C[C@@](O)(Cc1ccc(F)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL569100,7.96
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CC1,CHEMBL584522,8.59
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1,CHEMBL572212,8.51
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCOCC1,CHEMBL572355,8.7
+C[C@](O)([C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C)C(F)(F)F,CHEMBL569061,8.28
+CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567237,8.05
+CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(C(=O)NCc4ccncc4)cc3CC[C@@H]2C1,CHEMBL1090477,8.7
+C=CC[C@@H]1Oc2ccc(OC#N)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL1090801,7.29
+C#Cc1cccc2c1-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL1090805,8.16
+COc1ccc2c(c1)-c1ccc3c(c1[C@H](c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL1089811,7.74
+C#COc1ccc2c(c1OC)-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL1089812,8.38
+C[C@]12C[C@H](O)[C@H]3C(CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,CHEMBL1092578,7.52
+C=C1CCC(Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL1093625,5.61
+C=C1CCC(Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL1093779,5.49
+C=C1C(C)CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL1093140,5.39
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2C,CHEMBL1644754,8.24
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)C,CHEMBL1644755,8.35
+C=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21,CHEMBL1644756,8.46
+CC(C)=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21,CHEMBL1644757,8.22
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)Cc1ccccc1,CHEMBL1644758,6.47
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1644759,8.77
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2(C)C,CHEMBL1644761,7.8
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2=O,CHEMBL1644763,6.36
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(C)(C)C2=O,CHEMBL1644764,6.38
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@@H](O)[C@H]2C,CHEMBL1644765,8.0
+CC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672549,6.11
+CC[C@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672548,5.73
+CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672547,6.28
+COc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672546,6.01
+Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672541,6.8
+CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672545,5.82
+CCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672544,6.03
+C[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391231,7.26
+CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL1672542,8.19
+COc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1,CHEMBL1672540,7.3
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1O,CHEMBL1682441,8.6
+CNC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC1(C)C,CHEMBL1684230,8.52
+CNC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC1(C)C,CHEMBL1684341,8.66
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)NCc1ccccc1,CHEMBL1684342,8.17
+CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC1(C)C,CHEMBL1684343,8.11
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)NC1CCCCC1,CHEMBL1684344,8.37
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)N1CCCCC1,CHEMBL1684345,6.88
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccccc1,CHEMBL1684346,8.21
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccccc1,CHEMBL1684347,8.12
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)N(C)c1ccccc1,CHEMBL1684348,7.84
+COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1Cl,CHEMBL1684349,7.94
+COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5c(Cl)c[nH]c45)c3F)NC2(C)C)cc1Cl,CHEMBL1684350,8.17
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc2c(c1)OCO2,CHEMBL1684351,7.91
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(C#N)cc1,CHEMBL1684352,7.79
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(C#N)cc1,CHEMBL1684353,7.86
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(Cl)cc1,CHEMBL1684354,7.15
+COC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1,CHEMBL1684355,7.52
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(N(C)C)cc1,CHEMBL1684356,8.29
+CC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1,CHEMBL1684357,8.54
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1cccc(C#N)c1,CHEMBL1684358,7.86
+CC(=O)c1cccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)c1,CHEMBL1684359,8.03
+C[C@H]1c2c(cc(Cl)c(-c3cccc4cc[nH]c34)c2Cl)NC(C)(C)[C@@H]1O,CHEMBL1682440,6.8
+C[C@H]1c2c(F)c(-c3cccc4cc[nH]c34)c(F)c(Cl)c2NC(C)(C)[C@@H]1O,CHEMBL1682439,9.0
+C[C@H]1c2c(F)c(-c3cccc4cc[nH]c34)c(F)c(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682438,8.3
+C[C@H]1c2cc(-c3cccc4cc[nH]c34)c(F)c(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682437,8.62
+C[C@H]1c2c(Cl)c(-c3cccc4cc[nH]c34)cc(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682436,8.1
+C=Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682435,8.51
+Cc1c2c(cc(-c3cccc4cc[nH]c34)c1C(F)(F)F)[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682434,6.97
+Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682433,7.42
+Cc1c(F)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682432,9.05
+Cc1c(Cl)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682431,8.74
+CC(=O)/C=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682430,7.98
+Cc1cc(-c2cccc3cc[nH]c23)c(C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682429,8.89
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=C/C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682428,7.78
+C=Cc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682427,7.71
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/OCc2ccccc2)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682426,8.46
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/OC(C)(C)C)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682425,8.22
+CCO/N=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682424,8.82
+CO/N=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682423,8.16
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/O)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682422,6.5
+CCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682421,7.93
+Cc1cc(-c2cccc3cc[nH]c23)c(C)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682420,8.92
+Cc1cc(-c2cccc3cc[nH]c23)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682419,8.64
+Cc1cc(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682418,8.05
+CO/N=C1/c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1762211,9.15
+CCO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1762210,9.22
+CO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1760023,8.42
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)CO)CC(C)(C)N4)cccc12,CHEMBL1762209,9.1
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)C(=O)O)CC(C)(C)N4)cccc12,CHEMBL1762208,5.57
+COC(=O)C(C)(C)O/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4c(C)c[nH]c34)c(F)c21,CHEMBL1762207,8.82
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OCc3ccccc3)CC(C)(C)N4)cccc12,CHEMBL1762206,8.24
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/Oc3ccccc3)CC(C)(C)N4)cccc12,CHEMBL1762205,7.51
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)C)CC(C)(C)N4)cccc12,CHEMBL1762204,8.57
+CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1,CHEMBL1762203,8.7
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)C)CC(C)(C)N4)cccc12,CHEMBL1762202,8.66
+CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1,CHEMBL1762201,8.15
+CCO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21,CHEMBL1762200,9.4
+CO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21,CHEMBL1762199,8.15
+CC1(C)C/C(=N\O)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1,CHEMBL1762198,6.43
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1,CHEMBL1800979,8.54
+COc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1,CHEMBL1800980,8.24
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc(O)cc1,CHEMBL1801013,8.6
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801012,8.92
+CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801011,7.73
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc(O)cc1F,CHEMBL1801010,7.68
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801009,9.22
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801008,9.15
+CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801007,8.34
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1,CHEMBL1801006,9.4
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(C#N)c1,CHEMBL1801005,9.05
+CC(=O)c1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)ccc1O,CHEMBL1801003,8.14
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801004,8.94
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1800981,9.15
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1,CHEMBL1800982,9.4
+Cc1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nncs2)ccc1O,CHEMBL1800983,8.66
+CC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800984,9.52
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800985,9.1
+CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800986,7.23
+CC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2ccccc21,CHEMBL1800987,8.22
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL135,4.73
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,5.64
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL1586,8.43
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL1370,8.69
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL632,8.45
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,8.43
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,5.15
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1395,6.08
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL989,8.85
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL241694,7.02
+CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,CHEMBL1501,8.62
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1062,7.64
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,CHEMBL193482,4.75
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1201010,8.03
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1200600,8.8
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL1512,8.62
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL1201012,8.69
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,CHEMBL1200845,9.14
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,6.11
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL139835,6.99
+CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1159650,9.18
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL110691,7.76
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.83
+C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,CHEMBL111861,5.97
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.32
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,CHEMBL1766,8.93
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,CHEMBL1650,5.75
+CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1200545,8.54
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.71
+C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1201146,6.53
+C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,CHEMBL635,6.28
+C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,CHEMBL2107797,7.17
+CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1400945,5.2
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1201139,8.06
+C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,CHEMBL650,8.3
+C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,CHEMBL1451,7.59
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL1504,8.7
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL386630,5.84
+CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nncs2)nc1,CHEMBL1911285,8.38
+CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nncs2)nc1,CHEMBL1911284,8.39
+CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911283,8.07
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(Cl)c3)ccc21,CHEMBL1911282,8.51
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(F)c3)ccc21,CHEMBL1911281,8.6
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21,CHEMBL1911280,8.71
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21,CHEMBL1911279,8.57
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21,CHEMBL1911278,8.59
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)ccc21,CHEMBL1911277,8.77
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)ccc21,CHEMBL1911276,8.89
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1Cl,CHEMBL1911275,7.8
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911274,8.79
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911273,9.17
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911272,8.71
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911271,6.31
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911270,8.74
+CNC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911269,8.26
+CNC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911268,8.04
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(N)=O)cc3)ccc21,CHEMBL1911160,8.6
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)O)cc3)ccc21,CHEMBL1911159,7.81
+CC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911158,8.22
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911157,8.41
+CC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911156,8.54
+CCS(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911155,8.4
+CN(C)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911154,8.42
+CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2nc(-c3ccc(O)cc3)ccc21,CHEMBL1911153,8.24
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911152,8.8
+CCCc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911151,8.62
+CCc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911150,9.0
+COc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911149,8.92
+COc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911148,7.31
+Cc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911147,8.6
+Cc1cccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)c1,CHEMBL1911146,7.62
+Cc1ccccc1-c1ccc2c(n1)Oc1ccccc1[C@@H]2C(C)(C)C(=O)Nc1nncs1,CHEMBL1911145,7.98
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccccc3)ccc21,CHEMBL1911144,8.15
+CC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2ncccc21,CHEMBL1911143,6.39
+CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147553,8.7
+CNC(=O)c1cccc(CC[C@]2(O)CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)c1,CHEMBL2147554,7.82
+CNC(=O)c1ccc(CC[C@]2(O)CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1,CHEMBL2147555,6.81
+C=CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147556,9.0
+CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147557,8.7
+CC(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147558,8.4
+CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147561,8.7
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O,CHEMBL2147562,8.7
+CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C(O)[C@@]21C,CHEMBL2147563,7.4
+CC(C)(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147564,8.0
+CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147566,9.0
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1,CHEMBL2147567,8.52
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O,CHEMBL2147569,8.52
+C[C@@]12C(=Cc3c(cnn3-c3ccc(F)cc3)C1O)CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O,CHEMBL2147572,7.24
+O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1,CHEMBL2181925,6.17
+Cc1cccc(Cc2c(=O)n(C)c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1,CHEMBL2204061,7.565
+Cn1c(=O)[nH]c([C@H]2CC[C@@H](c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL2204060,7.43
+Cc1ccnc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1,CHEMBL2204059,7.52
+O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)n2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204058,7.535
+Cc1cccc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)n1,CHEMBL2204057,7.45
+O=c1[nH]c(=O)c(Cc2ncccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204052,7.125
+O=c1[nH]c(=O)c(Cc2ccccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204050,6.6
+O=c1[nH]c(=O)c(Cc2cc(Cl)ccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204046,7.87
+O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204043,7.86
+CS(=O)(=O)c1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1,CHEMBL2204044,6.25
+O=c1[nH]c(=O)c(Cc2ccccc2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204039,7.49
+CC(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426624,9.275
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1,CHEMBL2426633,7.92
+CC(C)CCn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21,CHEMBL2426656,8.24
+CC(C)Cn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21,CHEMBL2426655,7.72
+CC(C)n1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21,CHEMBL2426654,8.0
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(O)cc2)c1,CHEMBL2426653,8.14
+COc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nncs4)ccc32)cc1,CHEMBL2426652,8.06
+COc1cccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nncs4)ccc32)c1,CHEMBL2426651,7.44
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccncc2)c1,CHEMBL2426650,8.72
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1,CHEMBL2426648,9.05
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(Cl)cc2)c1,CHEMBL2426645,7.74
+CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426644,8.1
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426665,8.22
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426662,8.29
+CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2n[nH]cc2c1,CHEMBL2426659,7.89
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2n[nH]cc2c1,CHEMBL2426658,8.57
+CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1,CHEMBL2426649,8.4
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCO)c1,CHEMBL2426657,7.33
+Cc1nnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)s1,CHEMBL2426629,7.68
+Cc1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)n1,CHEMBL2426628,7.85
+Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)s1,CHEMBL2426627,7.96
+CC(C)(C(=O)Nn1nccn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426625,7.96
+CC(C)(C(=O)Nc1ccsc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426643,7.96
+CC(C)(C(=O)Nc1nccs1)C(c1ccncc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426642,7.92
+CC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1,CHEMBL2426641,7.74
+CC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1,CHEMBL2426640,7.68
+CC(C)(C(=O)Nc1nncs1)C(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426639,8.96
+CC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426638,8.12
+CC(C)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426637,8.62
+CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426636,8.77
+CCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1,CHEMBL2426635,8.01
+CC(C)(Cc1ccc2c(cnn2-c2ccc(F)cc2)c1)C(=O)Nc1nncs1,CHEMBL2426634,7.08
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCc2ccccc2)c1,CHEMBL2426632,7.34
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2Cc2ccccc2)c1,CHEMBL2426631,7.85
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(c1)C=NC2CCCO,CHEMBL2426630,7.77
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccccn2)c1,CHEMBL2426647,8.09
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(Br)cc2)c1,CHEMBL2426646,7.54
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426664,7.82
+CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426663,8.17
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426661,7.74
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccccc2)c1,CHEMBL2426660,8.3
+CC(C)(C(=O)Nn1ncnn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426626,7.77
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1,CHEMBL2426146,8.7
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)cc3)ncn2c1,CHEMBL2426138,8.48
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1,CHEMBL2426139,8.13
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1,CHEMBL2426147,9.0
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL2426152,8.15
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1,CHEMBL2426158,7.89
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccn2cncc2c1,CHEMBL2426155,7.74
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1,CHEMBL2426144,8.7
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1,CHEMBL2426143,8.4
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1,CHEMBL2426142,8.4
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1,CHEMBL2426141,8.4
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1,CHEMBL2426148,8.1
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1,CHEMBL2426149,8.3
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3cccc(CO)c3)ncn2c1,CHEMBL2426145,8.3
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1,CHEMBL2426157,6.71
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1,CHEMBL2426156,6.55
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2cncn2c1,CHEMBL2426154,7.89
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2nncn2c1,CHEMBL2426153,6.77
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2ncccc2c1,CHEMBL2426151,7.07
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2cnccc2c1,CHEMBL2426150,7.82
+CCS(=O)(=O)NCC(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426121,9.06
+CC(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426120,9.03
+CC(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426119,8.87
+CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426118,9.19
+CC(C)(CNS(=O)(=O)C1CC1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426117,8.94
+CCCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426116,8.82
+CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426115,9.14
+CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426114,9.28
+CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)(C)C,CHEMBL2426113,8.44
+CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426112,8.29
+CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NCC(F)(F)F,CHEMBL2426111,8.85
+CC(C)(CNC(=O)NCC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426110,7.99
+CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426109,8.63
+CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)CC(F)(F)F,CHEMBL2426128,8.89
+CC(C)(C)CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426126,8.72
+CC(C)(C)C(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426125,8.7
+CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426124,9.09
+CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426123,8.76
+CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426122,8.62
+CC/C(=C1\c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120317,9.57
+CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1,CHEMBL3120320,9.65
+C/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120319,9.59
+CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120318,9.84
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL3315049,8.8
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2Oc2c(F)cccc21,CHEMBL3315050,7.16
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315051,8.6
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315052,8.23
+CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315053,7.89
+CC(C)(C(=O)NC(=O)C1CC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315054,8.07
+CC(C)(C(=O)NC(=O)C1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315055,8.06
+CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315056,6.96
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315057,8.16
+CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315058,8.24
+CC(C)(C(=O)NC(=O)NC1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315059,8.06
+COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nc3Oc3c(F)cccc32)cc1,CHEMBL3315060,8.13
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315061,8.68
+CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315062,8.8
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21,CHEMBL3315063,8.82
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315064,9.15
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21,CHEMBL3315065,8.72
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CC[C@H](F)C4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315066,8.92
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)nc3)nc2Oc2c(F)cccc21,CHEMBL3315067,8.7
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)nc2Oc2c(F)cccc21,CHEMBL3315068,8.14
+CC(C)(O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,CHEMBL3315069,8.4
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,CHEMBL3315070,9.15
+CC1(C)Nc2c(cc(-c3ccnc4ncccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582125,7.46
+CC1(C)Nc2c(cc(-c3ccnc4ccccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582124,6.82
+CC1(C)Nc2c(cc(-c3cccc4nncn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582122,7.28
+CC1(C)Nc2c(cc(-c3cncc4nccn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582121,7.34
+CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582120,7.46
+CC1(C)Nc2c(cc(-c3cccc4nccn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582119,7.96
+Cc1ncn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582116,7.16
+Cc1cnn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582115,7.55
+Cc1noc(C)c1-c1cc2c(c3c1OCO3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582114,7.26
+Cc1noc(C)c1-c1cc2c(c3c1CCCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582113,6.97
+Cc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582112,7.82
+COc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2,CHEMBL3582111,6.84
+Cc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C,CHEMBL3582110,6.82
+Cc1noc(C)c1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL3582109,7.8
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605919,8.91
+COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12,CHEMBL3605922,6.18
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1,CHEMBL3605923,7.4
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1,CHEMBL3605924,6.94
+CS(=O)(=O)Nc1cccc2cc[nH]c12,CHEMBL3605925,7.3
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)(C)C)cc12,CHEMBL3605926,8.57
+COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605927,9.27
+COc1ccc(F)cc1-c1c(-c2ccccc2)[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605928,7.27
+COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12,CHEMBL3605929,8.88
+COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605930,8.26
+COc1ccc(-c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1F,CHEMBL3605931,5.85
+CS(=O)(=O)Nc1cccc2c(-c3cccc(Cl)c3)c[nH]c12,CHEMBL3605932,8.3
+COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605933,8.51
+CS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12,CHEMBL3605934,7.02
+Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764446,5.62
+Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765171,6.34
diff --git a/chembl_200/CHEMBL2035.csv b/chembl_200/CHEMBL2035.csv
new file mode 100644
index 0000000000000000000000000000000000000000..97caf1b177cb825b7968222971d5bbfaf9143778
--- /dev/null
+++ b/chembl_200/CHEMBL2035.csv
@@ -0,0 +1,413 @@
+CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL538793,6.2
+COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL136027,6.8
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1,CHEMBL545077,6.9
+COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL553058,6.4
+COC(=O)C1=CCCN(C)C1,CHEMBL7303,4.25
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.02
+COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL130835,6.74
+COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL127273,6.98
+COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,CHEMBL27673,6.38
+O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112955,7.43
+O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL2112957,6.82
+O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1,CHEMBL369062,6.7
+O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112961,5.7
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,CHEMBL1346,8.64
+O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112956,6.68
+O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1,CHEMBL177040,5.96
+O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112959,7.52
+O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112958,7.24
+CCO/C(O)=C1\CN2CCCC(C2)C1=O,CHEMBL306462,6.01
+COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71124,8.78
+COc1ccc([S@@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2111540,6.51
+CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL20732,4.75
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278074,5.98
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21321,5.91
+CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL279453,6.27
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21716,6.01
+CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21509,4.72
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21328,4.27
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL22108,6.1
+CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL279520,4.18
+CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1,CHEMBL424214,4.26
+CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21937,4.26
+CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL283320,4.27
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL279225,4.28
+CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL280684,4.52
+CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL265256,7.47
+CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21508,4.57
+CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278129,4.57
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL277642,6.31
+CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1,CHEMBL369575,5.57
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL564226,5.57
+CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1,CHEMBL423831,6.43
+CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL167223,6.14
+CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL354523,6.11
+Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352966,5.23
+CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL354678,6.17
+CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL169594,4.95
+CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355392,5.63
+CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL169680,4.99
+CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL172234,4.76
+CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL168223,4.38
+CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355560,5.1
+Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL354841,5.84
+COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352404,5.05
+CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355455,5.7
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1,CHEMBL170221,6.51
+CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355851,4.18
+CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1,CHEMBL168707,6.04
+CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL171216,5.95
+CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL170088,6.52
+CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL352779,4.34
+CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,CHEMBL172233,5.7
+COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL167027,5.22
+CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1,CHEMBL168704,5.68
+C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL1493369,6.12
+CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1,CHEMBL353290,5.98
+CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL355769,5.66
+CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL169494,5.44
+CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352723,5.49
+CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1,CHEMBL171102,7.18
+CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL434684,7.06
+CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL169401,5.49
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL335542,7.2
+CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106219,6.32
+C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL420662,5.65
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL320465,5.65
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL318995,5.83
+CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104210,5.27
+C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104332,6.3
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21,CHEMBL104574,5.95
+CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105148,5.51
+CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106218,5.51
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3,CHEMBL106224,5.47
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL59898,5.605
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3,CHEMBL105593,5.32
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21,CHEMBL104804,5.95
+COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105945,5.44
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL326450,4.95
+CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107679,5.6
+CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106259,4.71
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3,CHEMBL280220,5.77
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3,CHEMBL105674,5.27
+CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107444,5.43
+C=C1N=C(c2c(C)[nH]c3ccc4c(c23)CN2CCc3cc(OC)ccc3C2O4)ON1,CHEMBL104803,5.21
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3,CHEMBL105122,5.71
+CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106505,5.6
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL104693,5.62
+C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1,CHEMBL380759,5.42
+C#CCOC(=O)C1=CCCN(C)C1,CHEMBL128365,6.03
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2093084,4.47
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205654,7.2
+O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212645,5.49
+O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214898,6.03
+O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215189,5.51
+O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL378772,5.8
+CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL213709,5.55
+CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL214342,5.8
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL438822,5.77
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214029,5.77
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215180,5.46
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL215894,5.57
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378859,6.02
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378872,5.6
+COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,CHEMBL219118,6.6
+COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1,CHEMBL376295,7.0
+COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1,CHEMBL216928,6.6
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1,CHEMBL216983,5.4
+COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL386983,7.0
+COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL218755,6.2
+COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL373888,6.6
+CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL373515,8.25
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL222259,9.11
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376057,9.7
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL220393,8.49
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219786,9.97
+C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375851,8.46
+C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375969,9.39
+CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219825,8.92
+CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376255,8.7
+CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376870,8.7
+CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL385328,8.87
+CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375073,8.49
+C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL45454,8.55
+C[C@@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227378,4.35
+C[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL390842,5.22
+COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1,CHEMBL242345,6.77
+O=C1CCON1CC#CCN1CCCC1,CHEMBL275104,6.29
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1,CHEMBL396845,5.25
+C[N+]1(CC#CCOC2=NOCC2)CCCCC1,CHEMBL239436,5.39
+C(#CCN1CCCCC1)COC1=NOCC1,CHEMBL239866,5.29
+O=C1CCON1CC#CCN1CCCCC1,CHEMBL398043,6.26
+C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1,CHEMBL239038,5.74
+Cc1cc(OCC#CC[N+]2(C)CCCC2)no1,CHEMBL238825,5.12
+Cc1cc(OCC#CC[N+](C)(C)C)no1,CHEMBL239655,5.2
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,5.01
+C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL404557,4.115
+C[C@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227429,4.52
+Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,CHEMBL1382,8.66
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C,CHEMBL271108,7.76
+CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257643,6.64
+CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257431,7.08
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,CHEMBL105457,4.66
+CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,CHEMBL550,4.99
+Cc1nccn1CC#CCOc1ccon1,CHEMBL1162116,8.21
+Cc1nccn1CC#CCN1CCCC1=O,CHEMBL77793,7.29
+CO/N=C/C1=CCCN(C)C1,CHEMBL151938,5.5
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1=O,CHEMBL541424,4.355
+C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258907,4.97
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL258906,4.63
+C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258905,4.61
+C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL259344,4.99
+C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1,CHEMBL259131,4.28
+C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1,CHEMBL402473,4.64
+C[C@@H]1O[C@H](C[N+](C)(C)C)CS1,CHEMBL320820,4.88
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL1529,5.98
+C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL257804,4.59
+CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL257174,5.54
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL402207,6.23
+OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1,CHEMBL403773,6.11
+C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL403592,5.12
+CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL256923,6.08
+C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1,CHEMBL257586,4.74
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL402282,5.81
+OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL404866,4.63
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1,CHEMBL257547,5.16
+C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL436850,5.02
+CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1,CHEMBL258161,4.87
+OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1,CHEMBL258385,5.85
+C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL254586,6.15
+c1coc(C2CCCN2)c1,CHEMBL461087,4.78
+Cc1ccc(C[N+](C)(C)C)o1,CHEMBL92387,5.16
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL40554,5.42
+Cc1ccc([C@@H]2CCC[N+]2(C)C)o1,CHEMBL551563,5.44
+Cc1ccc([C@H]2CCC[N+]2(C)C)o1,CHEMBL553434,5.02
+Cc1ccc(C2CCC[N+]2(C)C)o1,CHEMBL555475,5.33
+C[N+]1(C)CCC[C@H]1c1ccco1,CHEMBL553155,4.68
+C[N+]1(C)CCC[C@@H]1c1ccco1,CHEMBL527880,4.63
+C[N+]1(C)CCCC1c1ccco1,CHEMBL554532,5.5
+Cc1ccc([C@@H]2CCCN2C)o1,CHEMBL450463,4.4
+Cc1ccc([C@H]2CCCN2C)o1,CHEMBL461709,4.5
+Cc1ccc(C2CCCN2C)o1,CHEMBL513277,4.66
+CN1CCC[C@H]1c1ccco1,CHEMBL450729,4.2
+CN1CCC[C@@H]1c1ccco1,CHEMBL461502,4.12
+CN1CCCC1c1ccco1,CHEMBL460470,4.35
+Cc1ccc([C@H]2CCCN2)o1,CHEMBL461089,4.8
+Cc1ccc(C2CCCN2)o1,CHEMBL505086,4.72
+c1coc([C@@H]2CCCN2)c1,CHEMBL451335,4.32
+c1coc([C@H]2CCCN2)c1,CHEMBL461088,4.5
+C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1,CHEMBL76897,9.453
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL499519,5.93
+CN1CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL523518,6.46
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL554916,6.615
+C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL539373,7.28
+CN1CCC[C@H]1[C@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL524061,6.27
+CN1CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL493795,6.465
+C[N+](C)(C)C[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL557808,6.85
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1,CHEMBL552338,5.74
+CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL576663,7.01
+CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL583051,8.15
+CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571121,8.48
+CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571341,7.56
+CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569212,6.33
+CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569953,5.81
+CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL571123,6.98
+CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL576707,7.26
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL569729,7.43
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569760,7.94
+C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569307,8.81
+C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568870,7.92
+C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568775,6.64
+C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569089,6.06
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL583027,7.5
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL569712,7.81
+C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593685,4.49
+C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL594803,4.28
+CC1(C)COC[C@@H](C[N+](C)(C)C)O1,CHEMBL594801,4.55
+C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C,CHEMBL608985,4.01
+C[C@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL593443,4.2
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C,CHEMBL595265,4.81
+C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL595022,4.08
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593620,4.78
+C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594376,4.03
+CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593861,4.18
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,5.28
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,7.0
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,CHEMBL845,7.29
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.03
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.01
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.39
+C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3545181,10.58
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.74
+c1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824784,5.18
+Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824785,5.26
+Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12,CHEMBL1829961,5.15
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.02
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,8.84
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.3
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,5.25
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.21
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,4.66
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.97
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.24
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.61
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.42
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,CHEMBL1319362,7.41
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.1
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.01
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,5.78
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.55
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.13
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,8.14
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,8.22
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.94
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.72
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,8.77
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.34
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,6.68
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,5.9
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.74
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.26
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.42
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.56
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,7.7
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.02
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,5.68
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,7.05
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.34
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,8.48
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,6.1
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.77
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,5.65
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.7
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+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,5.57
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.57
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+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.64
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.63
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.55
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,5.61
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+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.73
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+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.5
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,CHEMBL1910856,9.77
+CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL1464005,8.98
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+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,6.1
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+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,6.36
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.47
+CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042554,7.09
+CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042553,8.74
+CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042552,8.27
+C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042551,4.5
+C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042407,5.12
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+C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL2042403,4.48
+C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL2042402,4.99
+CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042400,4.58
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,5.77
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.03
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.81
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.38
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,5.24
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.03
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,5.94
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+COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1,CHEMBL2312353,5.57
+CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312352,6.13
+CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312350,5.63
+COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312349,5.51
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1,CHEMBL2312347,5.3
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC,CHEMBL2312346,5.65
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C,CHEMBL2312371,6.13
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1,CHEMBL2312370,7.1
+Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1,CHEMBL2312369,6.55
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1,CHEMBL2312368,6.96
+CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312367,6.72
+CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1,CHEMBL2312366,6.2
+COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312364,5.94
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312361,7.22
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312358,7.52
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1,CHEMBL2312384,6.72
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1,CHEMBL2312383,6.85
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1,CHEMBL2312382,6.12
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1,CHEMBL2312379,5.61
+CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1,CHEMBL2312378,6.92
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1,CHEMBL2312377,6.55
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312376,6.64
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1,CHEMBL2312374,6.36
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1,CHEMBL2312373,6.43
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1,CHEMBL2312372,6.39
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1,CHEMBL2312392,6.72
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1,CHEMBL2312391,6.54
+CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1,CHEMBL2312389,6.33
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+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1,CHEMBL2312386,5.9
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1,CHEMBL1180343,6.38
+CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1,CHEMBL2312344,5.94
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC,CHEMBL2311983,5.58
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N,CHEMBL12098,7.07
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+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.92
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.23
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,5.52
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.24
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.7
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,5.54
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432052,5.37
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,5.62
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,5.7
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.29
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.1
+CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,CHEMBL3354065,5.27
+CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354066,6.99
+CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354067,8.25
+CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354068,8.64
+CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354069,8.53
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354070,8.06
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354071,7.51
+O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1,CHEMBL3354072,4.84
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,CHEMBL3354073,5.34
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,CHEMBL3354074,5.51
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1,CHEMBL3354075,6.07
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1,CHEMBL3354076,6.46
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1,CHEMBL3354077,6.47
+CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143469,8.4
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL3354078,7.31
+C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1,CHEMBL3323288,5.4
+C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2,CHEMBL3323279,7.06
+CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2,CHEMBL3323280,7.78
+CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2,CHEMBL3323281,7.71
+C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3323282,7.68
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+CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3323284,8.26
+C[N+](C)(C)CC#CCOC1=NOCC1,CHEMBL3323286,6.92
+C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O,CHEMBL3121474,4.52
+C[N+](C)(C)C[C@@H]1COCCO1,CHEMBL3309718,4.38
+O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1,CHEMBL3629360,8.96
+COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629529,5.16
+COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629530,6.06
+COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629532,5.16
+COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629533,5.67
+COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629534,6.42
+COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3627739,5.74
+COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629536,5.27
+COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629537,5.69
+COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629539,5.37
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.55
diff --git a/chembl_200/CHEMBL204.csv b/chembl_200/CHEMBL204.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d8f74c6089430cb991768c96234e3f3dd9b781e4
--- /dev/null
+++ b/chembl_200/CHEMBL204.csv
@@ -0,0 +1,3181 @@
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+COC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084833,9.89
+CNC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084827,9.48
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)CC1,CHEMBL3084829,9.14
+Cc1nc(C(=O)C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)[C@H]2CC[C@H](N)CC2)sc1C(=O)O,CHEMBL3084830,7.1
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1,CHEMBL3084832,8.49
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)C(=O)NCC(=O)O)CC1,CHEMBL3084834,8.67
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nnnn2CC(=O)O)CC1,CHEMBL3084835,5.59
+CCSC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084837,9.59
+Cn1nnnc1C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084836,8.3
+N=C(N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O,CHEMBL38927,9.0
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,CHEMBL73737,8.38
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2c1,CHEMBL332256,6.56
+N=C(N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL324793,5.4
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)cc3)C2=O)c1,CHEMBL119881,5.71
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1,CHEMBL119966,5.65
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccn4)cc3)C2=O)c1,CHEMBL121575,5.4
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1,CHEMBL120629,5.65
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL420546,5.55
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccncc4)s3)C2=O)c1,CHEMBL120413,5.52
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL333678,5.97
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2c1,CHEMBL431666,6.7
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4O)C3=O)cc2c1,CHEMBL93854,6.69
+COC(=O)COc1ccc(C(=N)N)cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O,CHEMBL332121,6.58
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL327600,5.847
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL332650,5.59
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5ccnc(N)c5c4)C3=O)cc2c1,CHEMBL315218,5.87
+COC(=O)Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12,CHEMBL422722,8.13
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)B(O)O,CHEMBL290376,10.395
+N=C(N)c1ccc2c(cnn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL173612,6.85
+N=C(N)c1c[nH]c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc12,CHEMBL171390,6.68
+N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL174456,7.74
+N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3F)CC2)c1,CHEMBL367626,7.62
+N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(Cc3cccc(F)c3)CC2)c1,CHEMBL170063,7.62
+N=C(N)c1ccc2c(c1)c(CC(=O)O)cn2CC(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL366643,7.72
+N=C(N)c1ccc2c(c1)ncn2CC(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL368131,6.52
+COC(=O)/C=C/c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12,CHEMBL174008,7.55
+N=C(N)c1ccc2c(c1)c(CCO)cn2CC(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL175398,8.15
+CN(C)C(=O)COc1ccc2c3ccccc3n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1,CHEMBL174995,7.3
+CCOC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL433600,6.44
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)NC(CC(=O)O)C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL173480,5.63
+N=C(N)c1ccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)cc1,CHEMBL175333,6.68
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL176568,6.28
+N=C(N)c1ccc(CNc2ccc3ccn(Cc4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL173622,5.45
+N=C(N)c1ccc(CNc2ccc3ccn(-c4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL368762,5.34
+N=C(N)c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL367166,5.7
+N=C(N)c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(=N)N)c4)cc32)cc1,CHEMBL368839,5.63
+N=C(N)c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL172413,6.24
+CC(=N)N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369251,7.4
+N=C(N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)c1,CHEMBL174735,6.77
+N=C(N)c1cccc(CNc2ccc3ccn(-c4cccc(C(=N)N)c4)c3c2)c1,CHEMBL172147,5.4
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)N(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL368072,5.98
+N=C(N)c1ccc(-n2ccc3ccc(NCc4cccc(C(=N)N)c4)cc32)cc1,CHEMBL173419,5.42
+N=C(N)c1ccc2ccc(Cn3c4ccccc4c4ccc(OC5CCNCC5)cc43)cc2c1,CHEMBL174702,6.77
+COC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL263784,6.74
+CC(=N)N1CCC(Oc2ccc3nc(CCC(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369583,5.57
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C(C)C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL176744,6.06
+CCC(C)c1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL367476,5.64
+COC(=O)C(C)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL366405,5.3
+CCCCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL176640,5.7
+COC(=O)CCCN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL366855,5.22
+CC(=N)N1CCC(N(CC(N)=O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369480,6.31
+CC(=N)N1CCC(N(CCCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL177212,5.3
+CCCCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL177225,6.64
+COC(=O)CCCN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL366556,5.34
+COC(=O)C(C)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL366535,6.52
+CC(=N)N1CCC(N(CCCC(=O)O)c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL171966,5.3
+CCCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL369161,5.62
+COC(=O)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL355097,5.57
+CC(=N)N1CCC(Oc2ccc3nc(CCC(N)=O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL367725,6.23
+CCC(C)c1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL369165,6.8
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL441670,5.41
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C(C)(C)C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL175286,6.02
+CCOC(=O)CCC(=O)N(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL355796,5.34
+CC(=N)N1CCC(Oc2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL173020,6.64
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL24907,5.69
+CC(=N)N1CCC(N(CC(C)C(=O)O)c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL177136,5.3
+CCOC(=O)CCC(=O)N(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL151985,5.3
+CC(=N)N1CCC(Oc2ccc3nc(C(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL177142,7.49
+COC(=O)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL172532,7.01
+CC(=N)N1CCC(N(CC(C)C(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL174829,6.19
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL367840,7.22
+CCCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL176813,7.15
+CC(=N)N1CCC(N(C(=O)CCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL172831,5.3
+CC(=N)N1CCC(Oc2ccc3ncn(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL176636,6.09
+CC(=N)N1CCC(Oc2ccc3nc(C(C)(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL425132,7.32
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,CHEMBL76325,5.54
+CC(C)(C)c1ccc(C(=O)NC/C=C/c2cc(C(=N)N)ccc2O)cc1,CHEMBL305425,5.49
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(C(N)=O)cc3)cc2)c1,CHEMBL68486,5.54
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1,CHEMBL331943,6.0
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC(C)C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL44831,6.0
+CC[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)cc1)[C@@H](Cc1cccc(C(=N)N)c1)C(=O)OC,CHEMBL48610,5.68
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL45407,6.09
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1,CHEMBL47704,5.58
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL45106,6.19
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL43264,6.15
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL417714,6.02
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccnc2)cc1,CHEMBL415907,5.4
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1,CHEMBL295010,5.55
+COc1ccc(N(C)C)cc1Oc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F,CHEMBL81632,5.66
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL84275,6.52
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(NCCN)c3)n2)c1,CHEMBL432939,5.47
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL79986,5.64
+CCN(CC)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL314591,6.14
+COc1ccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cc1C(=O)N(C)C,CHEMBL83106,5.52
+COc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL310575,5.74
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL419651,5.96
+Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)n1,CHEMBL79529,6.06
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(O)cc(C(=O)N(C)C)c2)c1F,CHEMBL420963,6.13
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL82925,6.72
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL82006,5.29
+Cc1c(F)c(Oc2cccc(Nc3ccccc3)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL82831,5.42
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL48604,4.57
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(-n4ccnc4)c3)n2)c1,CHEMBL310373,5.85
+CN(C)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84437,6.92
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N(C)C)c2)c1F,CHEMBL83675,5.59
+Cc1nccn1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309879,6.17
+CN1CCN=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84065,6.09
+Cc1c(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cccc1N(C)C,CHEMBL84419,6.02
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL49636,4.66
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)cc(O)c2O)c1F,CHEMBL82456,5.92
+Cn1ccnc1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309541,6.74
+Cc1c(F)c(Oc2cccc(NS(C)(=O)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL441450,5.31
+CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL79303,6.135
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(Cl)c(N(C)C)c2)c1F,CHEMBL84502,5.28
+Cc1c(F)c(Oc2cccc(OC(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL419661,5.28
+Cc1cn(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)cn1,CHEMBL79828,6.19
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2C(F)(F)F)CC1,CHEMBL26500,5.67
+CCOC(=O)CCC(=O)N(C/C=C/c1cccc(C(=N)N)c1)c1ccc(OC2CCN(C(C)=N)CC2)c(C(F)(F)F)c1,CHEMBL26287,6.0
+CC(=N)N1CCC(Oc2ccc(NC/C(C)=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL27228,5.81
+CC(=N)N1CCC(Oc2ccc(NCc3ccc4ccc(C(=N)N)cc4c3)cc2[N+](=O)[O-])CC1,CHEMBL25034,5.71
+CC(=N)N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1,CHEMBL25461,6.4
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2)CC1,CHEMBL25673,5.3
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)c3ccc(C(=O)O)c(C(=O)O)c3)cc2C(F)(F)F)CC1,CHEMBL24263,5.49
+CN1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL24956,5.74
+CCOC(=O)c1cc(NC/C=C/c2cccc(C(=N)N)c2)ccc1OC1CCN(C(C)=N)CC1,CHEMBL24674,6.32
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cc(C(=N)N)ccc3O)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL26240,5.29
+CCOC(=O)CCC(=O)N(C/C=C/c1cc(C(=N)N)ccc1O)c1ccc(OC2CCN(C(C)=N)CC2)c(C(F)(F)F)c1,CHEMBL26299,5.64
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL423656,5.96
+CS(=O)(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL24287,6.05
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL424589,5.3
+N=C(N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(N)=O)CC3)c(C(F)(F)F)c2)c1,CHEMBL24433,6.6
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL24630,5.54
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2F)CC1,CHEMBL24508,5.33
+CC(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL26400,6.32
+N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1,CHEMBL1201881,5.6
+N=C(N)N1CCC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL138877,8.45
+CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=N)N)CC1,CHEMBL356065,8.09
+N=C(N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N32)cc1,CHEMBL79705,8.05
+CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H](C(=O)NCc3ccc(C(=N)N)cc3)CC[C@@H]12,CHEMBL558594,6.9
+C[C@]1(O)CC[C@@H]2CC[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)N2C1=O,CHEMBL542661,6.9
+Cc1cc(OCCN(C)c2ccncc2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL289951,7.79
+CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1,CHEMBL282549,7.167000000000001
+Cc1cc(OCCCNC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL291062,7.48
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL41876,8.34
+Cc1cc(OCCCCCNC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL287910,6.59
+Cc1cc(OCC2CCCN(C(=N)N)C2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL41862,6.49
+CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL353760,10.74
+N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1,CHEMBL284805,4.89
+N=C(N)c1ccc2[nH]c(Cc3ccccc3)cc2c1,CHEMBL287401,6.59
+CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Cc1ccccc1,CHEMBL47824,6.73
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)C[n+]1ccccc1,CHEMBL295863,9.72
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)C[n+]1ccccc1,CHEMBL47574,6.51
+CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1,CHEMBL297981,7.22
+CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)C[n+]1ccccc1,CHEMBL294946,7.68
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)Cc1ccccc1,CHEMBL44980,8.9
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL324413,9.22
+N=C(N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL63033,6.74
+N=C(NO)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1,CHEMBL424316,9.34
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1,CHEMBL266349,8.837
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL270437,9.712
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1,CHEMBL309931,6.31
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1,CHEMBL311198,7.52
+COc1ccc(C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N2CC(=O)N[C@@H](CC2CCCN(C(=N)N)C2)C(=O)c2nccs2)cc1,CHEMBL83681,7.37
+CC(C)C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](CC1CCCN(C(=N)N)C1)C(=O)c1nccs1,CHEMBL316383,6.78
+CCCC[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](CC1CCCN(C(=N)N)C1)C(=O)c1nccs1,CHEMBL82060,7.01
+CN1CC(=O)N(CC(=O)N[C@@H](CC2CCCN(C(=N)N)C2)C(=O)c2nccs2)[C@@H](Cc2ccc3ccccc3c2)C1=O,CHEMBL84127,6.85
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CC2CCCCC2)C(=O)c2nccs2)C1,CHEMBL311947,7.12
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc(Cl)cc2)C(=O)c2nccs2)C1,CHEMBL83549,7.4
+N=C(N)N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccccc2)C(=O)c2nccs2)C1,CHEMBL256394,7.62
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CCc2ccccc2)C(=O)c2nccs2)C1,CHEMBL84461,6.98
+CCC(C)[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](CC1CCCN(C(=N)N)C1)C(=O)c1nccs1,CHEMBL312887,6.7
+C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(=N)N)C1)C(=O)c1nccs1,CHEMBL402843,7.19
+COC(=O)C(O)(OC)C(CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL539241,8.77
+CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CHEMBL439487,7.0
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1,CHEMBL408553,7.26
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc(Cl)c(Cl)c2)C(=O)c2nccs2)C1,CHEMBL313769,8.1
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+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCC2)C1,CHEMBL82753,6.89
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2Cl)C(=O)c2nccs2)C1,CHEMBL83260,8.92
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+CNC(=O)[C@H](CC1CCCN(C(=N)N)C1)NC(=O)CN1C(=O)CN(CCCc2ccccc2)C(=O)[C@H]1Cc1ccccc1,CHEMBL310722,7.26
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCCC2)C1,CHEMBL83437,6.08
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+COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCC(C(=N)N)C2O)C1=O,CHEMBL337365,9.07
+N=C(N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O,CHEMBL140494,9.0
+N=C(N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O,CHEMBL343805,9.27
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+N[C@H]1CC[C@H](CNC(=O)C2C=CCn3c(=O)n(C(CSC4CCCCC4)C(=O)O)c(=O)n32)CC1,CHEMBL32538,7.28
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+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSC3CCCCC3)C(=O)O)c(=O)n21,CHEMBL32967,7.96
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+N[C@H]1CC[C@H](CNC(=O)C2C=CCn3c(=O)n(C(CSc4ccc(Cl)cc4)C(=O)O)c(=O)n32)CC1,CHEMBL290795,8.24
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+COC(=O)C(CSC1CCCCC1)n1c(=O)n2n(c1=O)C(C(=O)NCc1ccc(N)nc1C)C=CC2,CHEMBL32373,7.55
+N[C@H]1CC[C@H](CNC(=O)C2C=CCn3c(=O)n(C(CSc4ccc(Br)cc4)C(=O)O)c(=O)n32)CC1,CHEMBL33887,8.59
+COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2n(c1=O)C(C(=O)NCc1ccc(N)nc1C)C=CC2,CHEMBL284397,7.08
+COc1ccc(SCC(C(=O)O)n2c(=O)n3n(c2=O)C(C(=O)NCc2ccc(N)nc2C)C=CC3)cc1,CHEMBL287084,7.54
+N[C@H]1CC[C@H](CNC(=O)C2C=CCn3c(=O)n(C(CSc4ccc(Cl)c(Cl)c4)C(=O)O)c(=O)n32)CC1,CHEMBL431894,7.89
+COC(=O)C(CSc1ccccc1)n1c(=O)n2n(c1=O)C(C(=O)NCc1ccc(N)nc1C)C=CC2,CHEMBL289668,7.49
+COc1cc(Cc2c(-c3ccc(NC(=O)CN4CCS(=O)(=O)CC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL434671,9.05
+Oc1ccc2c(Cc3ccc(CN4CCCC4)c(O)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1,CHEMBL19242,8.29
+NCc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL18516,7.96
+COc1cc(Cc2c(-c3ccc(CCN)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL164246,8.29
+COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL18778,9.05
+N#Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL418004,8.14
+COc1cc(Cc2c(-c3ccc(OCCN)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL352279,8.42
+COc1cc(Cc2c(-c3ccc(NC(=O)CN(C)C)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL350373,8.64
+COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)nc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL159133,9.3
+COc1cc(Cc2c(-c3ccc(OCCN4CCCC4CO)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL167741,9.3
+COc1cc(Cc2c(-c3ccc(NC(=O)CN)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL351476,8.15
+COc1cc(Cc2c(-c3ccc(CCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL168171,9.52
+COc1cc(Cc2c(-c3ccc(OCC(N)CO)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL350351,9.4
+Oc1ccc2c(Cc3ccc(CN4CCCC4)cc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1,CHEMBL18495,8.39
+Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1,CHEMBL275206,8.68
+Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1,CHEMBL19511,8.72
+O=C(c1ccc(OCCN2CCCC2)nc1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2ccccc12,CHEMBL82285,6.43
+Oc1ccc2c(Cc3ccc(OCCN4CCCC4)nc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1,CHEMBL81887,5.05
+c1ccc(CNc2cccc(OCCNc3ccncc3)c2)cc1,CHEMBL431897,5.7
+Cc1ccc(S(=O)(=O)Nc2cccc(OCCN(C(=O)OC(C)(C)C)c3ccncc3)c2)cc1,CHEMBL24713,4.05
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1,CHEMBL24097,7.62
+CC(C)(C)OC(=O)N(CCOc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccncc1,CHEMBL282014,5.91
+Cc1ccc(S(=O)(=O)N(c2cccc(OCCNc3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL283011,6.57
+CN(CCOc1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccncc1,CHEMBL26244,6.2
+O=C(CNS(=O)(=O)C1CCCCC1)NC(CCNc1ccncc1)C(=O)N1CCCCC1,CHEMBL24817,5.4
+COc1cc(OCCNc2ccncc2)cc(S(=O)(=O)c2ccccc2)c1,CHEMBL25118,6.8
+CC(C)(C)OC(=O)N(CCOc1cccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1)c1ccncc1,CHEMBL24830,6.01
+Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1,CHEMBL286529,8.3
+Cc1ccc(S(=O)(=O)Nc2cccc(OCCNc3ccncc3)c2)cc1,CHEMBL24192,5.8
+Cc1ccc(S(=O)(=O)N(c2cccc(OCCN(C(=O)OC(C)(C)C)c3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL25699,4.51
+CN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1,CHEMBL26452,7.4
+O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc(F)cc1,CHEMBL25188,6.5
+O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc(Cl)cc1,CHEMBL23252,6.175
+Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1,CHEMBL25522,8.22
+COc1ccccc1S(=O)(=O)N(CC(N)=O)c1cc(C)cc(OCCNc2ccncc2)c1,CHEMBL279070,8.4
+O=S(=O)(c1ccccc1)c1cc(Cl)cc(OCCNc2ccncc2)c1,CHEMBL24403,7.3
+O=S(=O)(c1ccccc1)c1cccc(OCCNc2ccncc2)c1,CHEMBL25246,6.5
+O=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1,CHEMBL25540,5.8
+NC(N)c1ccc(C=C(O)C(=O)O)cc1,CHEMBL1161279,6.21
+NC(N)c1ccccc1,CHEMBL145825,6.52
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288176,9.97
+Cc1ccc(CCC(NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)cc1,CHEMBL288407,7.7
+COCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL431115,7.68
+CC1(C)C2CC1[C@]1(C)OB(C(CCC3OCCO3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL288175,7.6
+CCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36670,6.0
+CC1(C)C2CC1[C@]1(C)OB(C(CCCC(=S)NN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL2448441,9.0
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36744,8.52
+CC1(C)C2CC1[C@]1(C)OB(C(CCCl)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL430545,7.54
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288689,7.72
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288150,4.96
+CCCCCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291085,7.37
+Cn1cc(CC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c2cc(C(=N)N)ccc21,CHEMBL342036,4.68
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)c2c1,CHEMBL136986,6.3
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343784,5.92
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)c2c1,CHEMBL136215,5.68
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL138956,6.05
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)Cc1c[nH]c2ccc(C(=N)N)cc12,CHEMBL137499,6.0
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2cc(C(=N)N)ccc21,CHEMBL140016,5.7
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343827,5.33
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL343495,5.66
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3I)c2c1,CHEMBL341920,6.7
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL343380,6.4
+CN(C(=O)Cc1c[nH]c2ccc(C(=N)N)cc12)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL138478,4.85
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Br)c2c1,CHEMBL336661,6.7
+N=C(N)c1ccc2cnn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL136100,5.17
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL136846,5.925
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL139432,5.77
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2ccc(C(=N)N)cc21,CHEMBL337785,5.72
+CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL342168,6.1
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL138709,5.68
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL139970,5.55
+N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2)cc1,CHEMBL141259,4.9
+N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL335340,5.57
+CN(C)c1cccc2c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)N3CCCCC3)cccc12,CHEMBL545680,7.08
+CNC(=N)NCCCC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCCC1,CHEMBL544274,6.02
+CN(C)c1cccc2c(S(=O)(=O)NC(CCCNC3=NCCN3)C(=O)N3CCCCC3)cccc12,CHEMBL558029,5.4
+CN(C)c1cccc2c(S(=O)(=O)NC(CCCN3CCN=C3N)C(=O)N3CCCCC3)cccc12,CHEMBL541285,6.28
+CCNC(=N)NCCCC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCCC1,CHEMBL552683,5.72
+N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1,CHEMBL325166,9.545
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL115643,8.34
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL287614,9.3
+Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCN(C(=N)N)CC3)c2=O)cc1,CHEMBL36397,7.54
+Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL290947,7.02
+Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL37035,6.78
+Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC[C@H]3CC[C@H](N)CC3)c2=O)cc1,CHEMBL3085115,7.33
+Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL424545,7.33
+Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL37836,7.11
+Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL34306,6.16
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCCc2ccccc2)c2ccccc2)c1,CHEMBL162316,5.51
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163112,5.1
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL351846,5.42
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL162634,5.93
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1,CHEMBL164376,5.07
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL283765,5.9
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163578,5.87
+Cc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL352144,5.72
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccccc2)c1,CHEMBL162635,5.19
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2)c1,CHEMBL435865,5.76
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(CN)cc2)c2ccccc2)c1,CHEMBL348963,4.59
+COc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL162657,5.64
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL350632,5.1
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c1,CHEMBL159375,4.75
+N=C(N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](NCCc2ccccc2)CNC(=O)C=C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O,CHEMBL353137,8.82
+N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,CHEMBL164138,4.91
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2n1C,CHEMBL256381,8.09
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)NC(=O)CCCCCCNC(=O)C1=O,CHEMBL2371465,6.59
+N=C(N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](NC(=O)Cc2ccccc2)CNC(=O)C=C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O,CHEMBL352188,8.51
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc(=O)c2ccccc2[nH]1,CHEMBL165326,7.82
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(C(=O)O)cc2s1,CHEMBL403929,8.7
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2c(s1)CCCC2,CHEMBL102121,8.47
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2[nH]1,CHEMBL101855,7.97
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2o1,CHEMBL105584,8.28
+N=C(N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](NC=O)CNC(=O)C=C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O,CHEMBL434870,8.39
+N=C(N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL163828,7.62
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1cc2ccccc2s1,CHEMBL256591,5.62
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1,CHEMBL322205,8.62
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1ccccn1,CHEMBL404728,7.07
+Cc1cn(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1,CHEMBL346825,6.22
+N=C(N)c1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL160489,6.52
+N=C(N)c1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL157299,5.48
+Cn1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(-c2cccc(C(=N)N)c2)n1,CHEMBL347606,5.58
+N=C(N)c1cccc(-n2nccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL356016,6.05
+N=C(N)c1cccc(-n2cncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL158219,5.49
+N=C(N)c1cccc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL156505,5.22
+Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1,CHEMBL156924,5.9
+N=C(N)c1cccc(-c2nocc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL153611,5.65
+N=C(N)c1cccc(-c2ncccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL351755,4.81
+Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)o1,CHEMBL160958,5.44
+N=C(N)c1cccc(-n2nncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL157417,6.52
+N=C(N)c1cccc(-n2ccnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL349323,6.1
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152854,6.52
+N=C(N)c1cccc(-n2cccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL152274,6.05
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL420790,8.0
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7962,9.413
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1,CHEMBL314585,8.24
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CCCC1,CHEMBL314942,7.7
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(-c2ccccn2)s1)C1CCCC1,CHEMBL419671,6.97
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL266196,7.593
+NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL313826,8.51
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL424052,8.18
+CN(C(=O)[C@H](Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7656,8.17
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1,CHEMBL84870,7.22
+CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)cccc12,CHEMBL421880,7.96
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1,CHEMBL316205,8.48
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(CN)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL83345,8.01
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1,CHEMBL283717,9.13
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1,CHEMBL265317,8.0
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1,CHEMBL284549,10.15
+NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NC1CCCCC1,CHEMBL432470,5.7
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nccs1,CHEMBL32182,8.62
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL320213,9.52
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL102779,9.43
+N=C(N)NCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL102385,10.22
+NCCCCC(NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL431056,8.62
+N=CNCCCC(NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL105393,9.05
+CC(C)(CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL317639,8.92
+N=CNCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL104331,9.08
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL103078,9.28
+CC(C)(CN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL105137,10.22
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL102916,9.55
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL103077,9.24
+CC(C)(CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL105212,9.44
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL319050,9.39
+NCCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL320019,9.37
+N=CNCCCC(NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL102930,8.52
+NCCCCC(NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL419734,9.38
+CN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL3084745,8.3
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc(O)cc1)N1CCC(CCF)CC1,CHEMBL13151,7.39
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1cccnc1)N1CCC(CCF)CC1,CHEMBL276455,5.79
+NCCCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1,CHEMBL12824,5.74
+CCNc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1,CHEMBL273388,6.24
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc(O)c(O)c1)N1CCC(CCF)CC1,CHEMBL13265,7.09
+Nc1cc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)ccc1O,CHEMBL12725,7.59
+COc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1,CHEMBL274142,7.44
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C1CCCCC1)N1CCC(CCF)CC1,CHEMBL12670,4.93
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccncc1)N1CCC(CCF)CC1,CHEMBL12921,5.81
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccccn1)N1CCC(CCF)CC1,CHEMBL416528,7.09
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1)N1CCC(CCF)CC1,CHEMBL275268,7.16
+CNc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1,CHEMBL267544,7.92
+O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1cscn1)N1CCC(CCF)CC1,CHEMBL12425,6.55
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+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL269206,9.42
+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1cccc2ccccc12)C1CCCC1,CHEMBL9507,8.1
+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)Cc1ccccc1)C1CCCC1,CHEMBL273645,7.74
+CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3ccc(C(N)NN)cc3)C(=O)N(C)C3CCCC3)cccc12,CHEMBL9664,9.52
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+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL9463,9.92
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+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](c2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL431429,6.79
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)[C@H](CC(c2ccccc2)c2ccccc2)NC(=O)C1=O,CHEMBL319017,8.28
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](NC=O)CNC(=O)C=C[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1=O,CHEMBL317974,8.39
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC(=O)C1=O,CHEMBL100712,7.82
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL328200,7.07
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+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL101049,7.62
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)C(=O)O,CHEMBL139280,8.85
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1,CHEMBL342632,6.695
+CC(C)OC(=O)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O,CHEMBL139242,8.96
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NS(=O)(=O)Cc1ccccc1)C(=O)C(=O)O,CHEMBL138986,7.82
+NCCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)C(=O)O,CHEMBL337780,9.54
+NCCCC[C@H](NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)C(=O)O,CHEMBL138267,9.3
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+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1,CHEMBL336048,8.46
+CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nccs1,CHEMBL344916,8.7
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)C(=O)NCCc1ccccc1,CHEMBL343804,9.08
+NCCCC[C@H](NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)C(=O)O,CHEMBL336229,9.48
+NCCCC[C@H](NC(=O)CN(C(=O)[C@H](N)CC1CCCCC1)C1CC1)C(=O)c1nccs1,CHEMBL446372,7.89
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)C(=O)O,CHEMBL139051,9.54
+NCCCC[C@H](NC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C1CCCC1)C(=O)C(=O)O,CHEMBL343794,9.68
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)c1ncco1,CHEMBL341581,9.38
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+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)c1nccs1,CHEMBL137945,8.59
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+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)C(=O)O,CHEMBL140078,9.85
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+CCc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL352803,7.41
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1,CHEMBL352363,7.66
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2N)c1,CHEMBL353750,7.28
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,CHEMBL167884,6.94
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2)c1,CHEMBL424394,7.49
+COC(=O)c1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL349259,5.43
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccc(N)cc2)c1,CHEMBL167334,6.4
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1,CHEMBL352200,6.35
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(C)c2)c1,CHEMBL166437,7.44
+COC(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC2CCN(C(=N)N)CC2)c1,CHEMBL168318,7.55
+COc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL166779,7.36
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(Cl)c2)c1,CHEMBL352993,7.41
+N=C(N)N1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1,CHEMBL166966,6.72
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1,CHEMBL352642,7.8
+N=C(N)N1CCC(COc2cc(CO)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1,CHEMBL166613,6.31
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1,CHEMBL168701,6.49
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc(N)c2)c1,CHEMBL166739,7.49
+N=C(N)N1CCC(COc2cc(Cl)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1,CHEMBL352522,7.52
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1,CHEMBL166673,7.85
+Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc3ccccc23)c1,CHEMBL423830,7.46
+CN(C(=O)[C@H](Cc1ccc(C(=N)N)s1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL298013,8.52
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)s1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL47908,7.04
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)s2)C(=O)N(C)C2CCCC2)cc1,CHEMBL48133,9.22
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(=N)N)s3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL296956,9.31
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL46842,9.08
+Nc1cc[n+](Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1,CHEMBL47481,6.8
+c1ccc(COc2ccc(CCNc3ccncc3)cc2)cc1,CHEMBL48029,5.1
+c1ccc(COc2ccc(CNc3ccncc3)cc2)cc1,CHEMBL47751,5.33
+Nc1cc[n+](Cc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL47543,6.15
+Nc1cc[n+](Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1,CHEMBL48016,7.24
+c1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1,CHEMBL47486,5.89
+O=C(NCc1ccccc1)N1CCN(C(=O)O[C@H]2CCC[C@@H](OC(=O)N3CCN(C(=O)NCc4ccccc4)CC3)CCC2)CC1,CHEMBL43463,4.85
+N=C(N)c1ccc(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL448786,4.54
+N=C(N)c1ccc(CCNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL310760,4.44
+N=C(N)c1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL298256,4.225
+N=C(N)c1ccc(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)Cc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL311482,4.47
+CCC1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL108447,5.19
+CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109367,5.3
+CC(C)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111471,5.46
+CCc1ccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1,CHEMBL111660,4.36
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1,CHEMBL418839,4.67
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)NCC4)ccc2c1,CHEMBL111338,4.99
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1,CHEMBL320749,5.63
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1,CHEMBL104937,5.25
+N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1,CHEMBL111575,5.25
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CO)cc3)ccc2c1,CHEMBL111432,4.45
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCNC4)ccc2c1,CHEMBL111567,5.16
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1,CHEMBL111543,4.66
+N#Cc1ccc2cc(NC(=O)c3ccccc3)ccc2c1,CHEMBL109287,4.75
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,CHEMBL323387,5.27
+CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL442201,5.24
+CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109535,5.14
+CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1,CHEMBL1159693,9.8
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)s1)C(c1ccccc1)c1ccccc1,CHEMBL407992,7.08
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)s1)C(c1ccccc1)c1ccccc1,CHEMBL268824,8.24
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159688,10.855
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159691,10.0
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(N)=NN)cs1)C(c1ccccc1)c1ccccc1,CHEMBL414606,8.66
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(CN)c1)C(c1ccccc1)c1ccccc1,CHEMBL8079,8.28
+CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)s1)C(c1ccccc1)c1ccccc1,CHEMBL266040,6.98
+Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(C)(=O)=O)C(c2ccccc2)c2ccccc2)ccc1CN,CHEMBL7213,7.49
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)cc1)C(c1ccccc1)c1ccccc1,CHEMBL7865,8.4
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1,CHEMBL1159692,10.48
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)cc1)C(c1ccccc1)c1ccccc1,CHEMBL8133,7.33
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159694,10.44
+NN=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL267502,7.51
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)c(N)c1)C(c1ccccc1)c1ccccc1,CHEMBL415298,7.92
+CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL268640,10.3
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C(N)=NN)c1)C(c1ccccc1)c1ccccc1,CHEMBL7292,8.74
+COP(O)(O)(N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1)OC,CHEMBL1159690,10.36
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL7197,7.85
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)nc1)C(c1ccccc1)c1ccccc1,CHEMBL7418,8.22
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Nc2ccccc2)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159689,10.35
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(CN)cs1)C(c1ccccc1)c1ccccc1,CHEMBL268833,8.62
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)s1)C(c1ccccc1)c1ccccc1,CHEMBL7440,9.28
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1,CHEMBL451242,9.3
+CS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL7860,10.7
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1S(=O)(=O)c1ccccc1,CHEMBL23042,7.01
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL282281,8.06
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL281573,7.3
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1cccc(N)c1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL280186,6.92
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL24987,7.17
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1,CHEMBL22886,8.8
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Cc1ccccc1,CHEMBL283553,8.31
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccc(N)c2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22566,7.23
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCN1CCOCC1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22557,5.06
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccn1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL278612,5.13
+CNC(=O)C(=O)[C@H](CCCCN)NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22944,6.24
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL279741,7.22
+CCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL409260,5.72
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccsc3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL119456,6.44
+Cc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL332619,5.87
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL340336,6.36
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(N)cc4c3)C2=O)c1,CHEMBL93681,5.59
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccn[nH]3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL119964,5.97
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccccn3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118156,5.94
+CCc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118799,5.8
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1,CHEMBL331686,5.82
+COc1ccc2ccc(S(=O)(=O)N(CCC(N)=O)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL325529,5.82
+COc1ccc2ccc(S(=O)(=O)N(Cc3cccs3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL116378,6.01
+COc1ccc2cc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)ccc2c1,CHEMBL419227,6.05
+COc1ccc2ccc(S(=O)(=O)N(CC(N)=O)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL419049,5.84
+N=C(N)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL117156,6.2
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(Cl)cc4c3)C2=O)c1,CHEMBL331955,5.92
+COc1cccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)c1,CHEMBL119913,5.6
+CCN([C@H]1CCN(Cc2cccc(C(=N)N)c2)C1=O)S(=O)(=O)c1ccc2ccc(OC)cc2c1,CHEMBL324569,6.06
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccnc(C(=N)N)c4)C3=O)cc2c1,CHEMBL333639,5.69
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118361,5.89
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)cs4)C3=O)cc2c1,CHEMBL331939,5.62
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCNc1ccncc1,CHEMBL65273,5.39
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1,CHEMBL129294,8.04
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc(C)c2)c1,CHEMBL341126,8.22
+COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCC/C=N/NC(=N)N)c1,CHEMBL340424,5.89
+Cc1cc(OCC2(/C=N/NC(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1,CHEMBL128436,7.4
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,CHEMBL128443,8.33
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccnc2)c1,CHEMBL128576,7.44
+COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC/C=N/NC(=N)N)c1,CHEMBL129282,7.96
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL128601,7.7
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1,CHEMBL435210,8.36
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc3ccccc23)c1,CHEMBL128560,7.36
+COc1cc(CCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL338396,6.0
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2C#N)c1,CHEMBL129059,8.04
+Cc1cc(OCC/C=N/NC(=N)N)cc(OCc2ccccc2C(F)(F)F)c1,CHEMBL129656,6.38
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1,CHEMBL339011,8.03
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL338444,8.08
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1,CHEMBL340276,7.96
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C/C=C/CNC(=O)CCCCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL2370449,6.52
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C/C=C/CNC(=O)C/C=C/CNC(=O)CCCCC(=O)C(CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL427978,8.46
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C/C=C/CNC(=O)C/C=C/CNC(=O)C/C=C/CNC(=O)CCCCC(=O)C(CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL385670,8.49
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL2370455,9.43
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL412702,8.55
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL2370453,9.85
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL2370451,8.42
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL2370450,9.25
+COC(=O)CNC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL155632,4.9
+COC(=O)CC(CCc1ccc(N)cc1)c1cccc(C(=N)N)c1,CHEMBL156765,5.11
+COC(=O)CC(CCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156161,5.51
+CCOC(=O)CC(CCc1ccc(C(=N)N)cc1)c1ccccc1,CHEMBL346543,5.21
+CNC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156472,5.1
+CCOC(=O)CC(CCc1cccc(C(=N)N)c1)c1ccc(C(=N)N)cc1,CHEMBL158207,5.46
+CONC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL347640,4.71
+CCOC(=O)CC(CCc1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1,CHEMBL156578,5.92
+COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(=N)N)c1,CHEMBL348038,5.76
+COC(=O)CC(CCc1ccc(C(N)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL155871,5.19
+CC(C)OC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL439642,5.81
+COC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156702,5.92
+COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL436026,5.51
+CCOC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL155820,5.96
+N=C(N)c1ccc(CCC(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL157601,5.36
+COC(=O)CC(CCc1ccc(C(=O)OC)cc1)c1cccc(C(=N)N)c1,CHEMBL156043,5.44
+COC(=O)CC(CCc1cccc(C(=N)N)c1)c1cccc(C(=N)N)c1,CHEMBL156367,5.07
+COC(=O)CC(CCCCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL351329,5.48
+N=C(N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(C(=N)N)c2)cc1,CHEMBL158063,5.55
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL47920,9.92
+Cc1nc(N)ccc1CNC(=O)Cn1c(C2CC2)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL49457,8.4
+CCCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C,CHEMBL45480,9.07
+Cc1nc(N)ccc1CNC(=O)Cn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL46331,7.92
+Cc1nc(N)ccc1CNC(=O)Cn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL46135,8.59
+Cc1nc(N)ccc1CNC(=O)Cn1c(C2CC2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL431535,7.8
+COc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL96493,4.39
+Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL48608,6.59
+N=C(N)c1ccc2nc(-c3cccc([N+](=O)[O-])c3O)[nH]c2c1,CHEMBL327789,5.96
+N=C(N)c1ccc2nc(-c3cc(F)ccc3O)[nH]c2c1,CHEMBL92277,4.48
+N=C(N)c1ccc2nc(-c3cccc(Br)c3O)[nH]c2c1,CHEMBL330244,5.64
+N=C(N)c1ccc2nc(-c3cccc(F)c3O)[nH]c2c1,CHEMBL96494,5.15
+N=C(N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1,CHEMBL319997,4.1
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1,CHEMBL316334,6.62
+N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1,CHEMBL433501,4.26
+N=C(N)c1ccc2nc(-c3cc(Br)ccc3O)[nH]c2c1,CHEMBL94254,4.43
+CCN(CC)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL330460,4.05
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1,CHEMBL94775,6.96
+Cc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL433179,4.19
+Cn1c(-c2cccc(-c3ccccc3)c2O)nc2ccc(C(=N)N)cc21,CHEMBL96428,4.15
+N=C(N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL318363,5.15
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1,CHEMBL321510,4.49
+COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL94139,4.1
+Cc1cc(Br)c(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL95097,5.57
+Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL92964,4.32
+Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL92865,4.42
+N=C(N)c1cccc(Oc2ccc(NC(=O)c3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL295263,5.47
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL48691,5.6
+N=C(N)c1cccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL50127,4.85
+CNC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48409,5.38
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL298415,6.247000000000001
+CCOC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48827,4.96
+N=C(N)c1ccc(Oc2cccc(Oc3ccccc3C(=N)N)n2)cc1,CHEMBL51824,5.92
+N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)cc2F)c1,CHEMBL424036,4.43
+Cc1c(F)c(N(C)c2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL49958,6.44
+N=C(N)c1ccc(Oc2nc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL49786,5.85
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL48199,5.31
+N=C(N)c1cccc(Oc2ccc(NC(=O)Nc3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL300622,5.47
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL52205,5.72
+N=C(N)c1cccc(Oc2cc(C(N)=O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL296532,5.22
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CNC=O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373559,7.48
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CS(C)(=O)=O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373397,7.96
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CO)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373341,7.08
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(-c4cccc([N+](=O)[O-])c4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373347,7.07
+COC(=O)Cc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373555,7.07
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(-c4ccccc4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373343,6.76
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CNS(=O)(=O)C(F)(F)F)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373302,6.68
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3cccc([N+](=O)[O-])c3)O[C@@H]1C2,CHEMBL2373403,8.74
+CC(C)(C)OC(=O)CCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373367,8.26
+CC(C)(C)CC(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373440,7.48
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(Cc4nn[nH]n4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373352,6.46
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL317682,8.77
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3ncnc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373342,7.51
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(-c4cccc(N)c4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373348,6.82
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373408,8.59
+CC(C)C(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373346,6.8
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(Cc4ccccc4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373401,7.39
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3ncnc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373558,7.44
+CS(=O)Cc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373475,7.33
+CCCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373402,7.14
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CCC(=O)O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373400,6.64
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nnnc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373399,7.48
+CC(C)(C)OC(=O)/C=C/c1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373345,6.82
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)cc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373351,8.34
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3ccccc3[N+](=O)[O-])O[C@@H]1C2,CHEMBL2373405,9.1
+CN(CC(=O)N[C@@H](CCCSC(=N)N)B(O)O)C(=O)CCc1ccccc1,CHEMBL423259,9.52
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC(=O)O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373404,5.77
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL72318,5.35
+Cc1nc2c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)nc2n1Cc1ccccc1,CHEMBL72527,5.89
+Cc1nc2c(Oc3cc(C(=N)N)ccc3O)nc(Oc3cccc(C(=O)N(C)C)c3)nc2n1Cc1ccccc1,CHEMBL305809,6.15
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL73193,5.7
+CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(=N)N)ccc4O)n2)NC(=O)CN3)c1,CHEMBL71175,6.0
+COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1,CHEMBL163817,7.07
+O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1)N1CCC(CCF)CC1,CHEMBL349917,6.66
+CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@H](COCCO)Cc2ccccc2)CC1,CHEMBL164664,6.83
+CN(C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1,CHEMBL162426,6.89
+O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@@H](Cc1ccccc1)CN1CCC(O)CC1)N1CCC(CCF)CC1,CHEMBL162002,7.21
+CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccc(OC)cc2)CC1,CHEMBL162174,7.4
+CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1,CHEMBL164518,7.21
+O=C([C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1)N1CCC(CCCl)CC1,CHEMBL163043,7.55
+CNC(=N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O,CHEMBL431814,8.68
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CCCCC1)B(O)O,CHEMBL419892,8.31
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1,CHEMBL100187,7.8
+NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL99309,9.38
+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O,CHEMBL320897,9.1
+CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL330206,8.8
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O,CHEMBL100109,9.62
+CN(CC(=O)N[C@@H](CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1,CHEMBL95940,9.8
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CC1)B(O)O,CHEMBL317137,9.16
+NCCCC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL101707,8.33
+CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1,CHEMBL95993,8.04
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1,CHEMBL317587,6.91
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O,CHEMBL101759,8.85
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCCc1ccccc1,CHEMBL330149,8.27
+NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1,CHEMBL154680,5.7
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)n(-c2cccc(C(=N)N)c2)n1,CHEMBL359132,6.52
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)cc1,CHEMBL153946,5.24
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)cc1,CHEMBL154238,7.15
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1,CHEMBL346857,6.05
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,CHEMBL422351,4.85
+CCCCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL347931,6.52
+N=C(N)c1cccc(-n2cc(Br)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL346834,6.52
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1,CHEMBL152281,6.92
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152859,6.7
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)c(F)c1,CHEMBL358835,7.3
+Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL421808,5.13
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(CN)c2)n1,CHEMBL156775,4.68
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3F)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152276,6.35
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL154322,5.85
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL154512,6.52
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1,CHEMBL346686,6.4
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL444074,6.22
+NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL154504,4.85
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(C(=N)N)c2)n1,CHEMBL422688,6.64
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cccc(C(=N)N)c2)n1,CHEMBL347307,6.68
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1,CHEMBL559015,5.22
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL440733,6.74
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL347846,7.4
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,CHEMBL154572,4.92
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c(F)c1,CHEMBL121212,11.0
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cn1,CHEMBL124300,10.82
+CN(C(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(N)=NN)cc1)C1CCCC1,CHEMBL120950,9.4
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1coc(C(=N)N)c1)C(c1ccccc1)c1ccccc1,CHEMBL120918,8.85
+N=C(N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)co1,CHEMBL120308,10.7
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(=N)N)cs1)C(c1ccccc1)c1ccccc1,CHEMBL333969,9.77
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)s1)C(c1ccccc1)c1ccccc1,CHEMBL119877,10.82
+N=C(N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)n1,CHEMBL121694,9.92
+N=C(N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cs1,CHEMBL332764,9.8
+N=C(N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)cs1,CHEMBL332819,10.0
+N=C(N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c1,CHEMBL122410,10.7
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL120079,11.0
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C(=N)N)c1)C(c1ccccc1)c1ccccc1,CHEMBL121379,9.22
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)o1,CHEMBL439970,9.37
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL420540,10.82
+N=C(N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)n1,CHEMBL121150,9.19
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)nc1)C(c1ccccc1)c1ccccc1,CHEMBL331571,10.77
+N=C(N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL358910,6.96
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL357795,6.46
+COC(=O)C1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL151144,5.96
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358918,6.52
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150612,6.49
+NC(=O)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL150138,5.54
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL345492,6.42
+N=C(N)c1ccc(/C=C2\CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL151480,6.46
+N=C(N)c1ccc(/C=C2/CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151049,6.92
+N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149960,4.72
+N=C(N)c1ccc(/C=C2/CCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150277,6.09
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151562,5.8
+COC(=O)C1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL151293,6.22
+N=C(N)c1ccc(/C=C2\CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL359275,5.43
+N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150962,5.66
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL355969,6.13
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356630,6.44
+N=C(N)c1ccc(/C=C2\CC(C(=O)O)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL345710,4.67
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151481,6.92
+CNC(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153660,4.89
+COC(=O)C1C/C(=C\c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL345990,5.36
+N=C(N)c1ccc(/C=C2\CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150309,5.68
+CCOC(=O)N1C/C(=C\c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL348671,5.48
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358180,5.77
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356466,5.85
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356862,6.82
+N=C(N)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150308,5.52
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL151661,6.2
+N=C(N)c1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149410,6.2
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL422321,6.7
+CN(C)C(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153659,5.43
+N=C(N)c1ccc(/C=C2\CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150434,6.14
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150739,6.54
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL125181,8.302
+CNC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)[C@H]1CC[C@H](N)CC1,CHEMBL2062141,10.05
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL338788,7.96
+Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cs1,CHEMBL331181,7.15
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1,CHEMBL123142,8.66
+O=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL124408,6.42
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1)C(C1CCCCC1)C1CCCCC1,CHEMBL420334,6.46
+Nc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cs1,CHEMBL331179,6.89
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1,CHEMBL121982,8.52
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1)C(c1ccccc1)c1ccccc1,CHEMBL121661,6.05
+O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL123759,6.96
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cn1,CHEMBL421437,9.09
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1,CHEMBL122331,8.52
+Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cs1,CHEMBL122432,6.46
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1,CHEMBL337923,8.44
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)c1)C(C1CCCCC1)C1CCCCC1,CHEMBL421272,6.25
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL122801,8.05
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1,CHEMBL331160,5.43
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,CHEMBL122601,8.0
+O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL331908,6.29
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C1CCCCC1)C1CCCCC1,CHEMBL123942,8.41
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(c1ccccc1)c1ccccc1,CHEMBL122488,8.12
+Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cs1,CHEMBL435012,6.44
+N=C(N)NCCCC(NC(=O)[C@@H]1CS[C@H]2CC[C@H](Cc3ccccc3)C(=O)N21)C(=O)c1nc2ccccc2s1,CHEMBL369628,5.95
+C[C@]12CC[C@@H](c3ccc4nc(C(F)(F)F)ccc4c3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL170318,8.0
+C[C@]12CC[C@H](CCc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL366697,6.26
+C[C@]12CC[C@@H](CCc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL172647,6.63
+C[C@]12CC[C@H](c3ccc4nc(C(F)(F)F)ccc4c3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL353492,6.82
+C[C@]12CC[C@@H](Cc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL369408,7.74
+C[C@]12CC[C@@H](Cc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL173634,7.8
+C[C@]12CC[C@@H](c3ccc4nc(C(F)(F)F)ccc4c3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL174282,7.74
+C[C@]12CC[C@H](CCCc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL171213,7.0
+N=C(N)NCCCC(NC(=O)[C@@H]1CS[C@H]2CC[C@@H](Cc3ccccc3)C(=O)N21)C(=O)c1nc2ccccc2s1,CHEMBL355792,8.1
+C[C@]12CC[C@@H](CCCc3ccccc3)C(=O)N1[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL352392,8.46
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(C(F)(F)F)c(N)c1=O,CHEMBL44249,6.47
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL19080,9.088
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl,CHEMBL42091,7.62
+CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL296737,10.4
+Cc1cc(C(F)(F)F)c(N)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NCCCN(C)C,CHEMBL44226,8.13
+Cc1cc(C(F)(F)F)c(N)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NCCN(C)C,CHEMBL43145,7.74
+Cc1cc(C(F)(F)F)c(N)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)N(C)C,CHEMBL42496,5.68
+CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(N)c1=O,CHEMBL46638,7.92
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1,CHEMBL296041,8.15
+CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL431524,10.15
+CNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(C(F)(F)F)c(N)c1=O,CHEMBL43641,7.82
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N)c1=O,CHEMBL44868,6.05
+CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(C(F)(F)F)c(N)c1=O,CHEMBL45062,8.07
+Nc1ncc2c(n1)CCC(CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C2,CHEMBL164239,4.89
+N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1,CHEMBL423266,6.16
+O=C(O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1,CHEMBL164985,6.55
+CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1,CHEMBL166536,5.48
+O=C(NC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1,CHEMBL167782,5.27
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1,CHEMBL352605,6.28
+O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1,CHEMBL164915,6.85
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1)C(c1ccccc1)c1ccccc1,CHEMBL165389,5.35
+Cn1cc2c(n1)CCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)C2,CHEMBL168164,4.89
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1,CHEMBL442980,6.44
+O=C(NC1CCc2c[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1,CHEMBL167383,4.56
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202120,6.7
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)CCC(=O)N1CCCCC1,CHEMBL115829,5.89
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)C(N)Cc1cccc2ccccc12)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202121,4.87
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202107,5.64
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)C(N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202125,6.22
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202122,5.77
+N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)C(N)Cc1ccc2ccccc2c1)C(=O)CCC(=O)N1CCCCC1,CHEMBL1202123,4.94
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL19359,9.24
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1,CHEMBL19438,6.45
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1,CHEMBL19666,10.0
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1,CHEMBL19241,6.8
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CN=C(N)N[C@@H]1C,CHEMBL19548,8.49
+Cc1nc(N)ncc1CNC(=O)Cn1c(C)cnc(NCCc2ccc3c(c2)CCO3)c1=O,CHEMBL18759,6.49
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)NC1,CHEMBL19811,9.0
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3Cl)c2=O)c1,CHEMBL283555,7.68
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3F)c2=O)c1,CHEMBL279199,8.22
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3OC)c2=O)c1,CHEMBL416912,8.8
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)NO)s1,CHEMBL19644,7.51
+Cc1cnc(NCC2(c3ccc(Cl)cc3)CCC2)c(=O)n1CC(=O)NCc1cnc(N)cn1,CHEMBL19689,8.26
+Cc1nc(N)ncc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O,CHEMBL19527,6.85
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL19731,9.43
+Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1,CHEMBL19740,8.23
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3)c2=O)c1,CHEMBL19453,8.28
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)c(F)c1,CHEMBL19619,8.44
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=NO[Si](C)(C)C(C)(C)C)s1,CHEMBL417457,7.88
+Cc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL19728,6.55
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1,CHEMBL277695,9.92
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)NC1,CHEMBL417635,8.72
+N=C(N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(=O)O,CHEMBL19599,9.25
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1,CHEMBL19767,6.34
+Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(=N)N)C(=O)O,CHEMBL431292,9.85
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1,CHEMBL282028,8.01
+Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2cccc3c2OCCO3)c1=O,CHEMBL19700,6.99
+Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL283945,7.07
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3nc(C(=N)N)cs3)c2=O)c1,CHEMBL19798,8.23
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1,CHEMBL19037,6.87
+COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(=N)N)C(=O)O)c1=O,CHEMBL19831,10.0
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CN=C(N)N[C@@H]1C,CHEMBL274968,8.96
+Cc1nc(N)ncc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL19071,6.71
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1,CHEMBL18873,6.56
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(C)CC3)ccc2c1,CHEMBL40043,7.96
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL288862,7.49
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL41220,7.02
+CC1CCCCN1C(=O)N(Cc1cccc(C(=N)NO)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL43817,4.92
+CC1CCN(C(=O)N(Cc2cccc(C(=N)NO)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL38491,6.33
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCCCC2)cc1,CHEMBL43017,6.82
+N=C(NO)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL39078,6.23
+N=C(NO)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL39587,6.68
+CC1CCN(C(=O)N(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL37318,8.4
+CC1CCCCN1C(=O)N(Cc1ccc(C(=N)NO)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL37857,6.37
+N=C(N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL38626,8.3
+N=C(NO)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL36960,5.72
+CC1CCN(C(=O)N(Cc2ccc(C(=N)NO)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL39911,6.11
+COc1ccc2cc(S(=O)(=O)NN(Cc3ccc(C(=N)NO)cc3)C(=O)N3CCC(C)CC3)ccc2c1,CHEMBL39590,6.42
+N=C(NO)c1ccc(CN(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCCCC2)cc1,CHEMBL38467,5.8
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)NO)c3)C(=O)N3CCCCCC3)ccc2c1,CHEMBL289331,6.21
+COc1ccc2cc(S(=O)(=O)NN(Cc3ccc(C(=N)N)cc3)C(=O)N3CCC(C)CC3)ccc2c1,CHEMBL291101,7.35
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)N)c3)C(=O)N3CCCCCC3)ccc2c1,CHEMBL41947,8.05
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)NO)c3)C(=O)N3CCCCC3C)ccc2c1,CHEMBL41359,5.38
+CC1CCCCN1C(=O)N(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL39760,7.07
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)N)C(=O)N2CCCCC2C(=O)O)C1,CHEMBL1160037,6.51
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)N)C(=O)N2CCCCC2)C1,CHEMBL40156,6.89
+CC1CCN(C(=O)[C@H](CCCNC(N)N)NS(=O)(=O)c2cccc3c2NCC(C)C3)CC1,CHEMBL37567,7.52
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,CHEMBL2092832,7.72
+CC(=O)NCC(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL53163,7.59
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL2028992,9.4
+CC(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL2028996,8.48
+CC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL2028995,8.37
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCCC5CCNCC5)CC4)CCC3)CC2)cc1,CHEMBL295450,4.5
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL43938,4.68
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCC5CCNCC5)CC4)CCC3)CC2)cc1,CHEMBL42899,4.39
+N=C(N)c1ccc(NC(=O)CC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCC5CCNCC5)CC4)CCC3)CC2)cc1,CHEMBL295007,4.28
+N=C(N)c1ccc(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCC5CCNCC5)CC4)CCC3)CC2)cc1,CHEMBL38054,4.03
+N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(COC(=O)N4CCC(CNC(=O)c5ccc(C(=N)N)cc5)CC4)cc3)CC2)cc1,CHEMBL297220,4.37
+O=C(O)COc1cc(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(=O)O)cc4OCC(=O)O)cc3OCC(=O)O)cc2OCC(=O)O)c(OCc2ccccc2)cc1CO,CHEMBL217744,6.12
+COCCOCOc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)ccc6OCC(=O)O)cc5OCOCCOC)cc4OCC(=O)O)cc3OCOCCOC)cc2OCC(=O)O)c(OC)cc1C,CHEMBL215927,6.62
+COc1ccc(OCC(=O)O)c(Cc2cc(OCCCCCc3ccccc3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCCCCCc5ccccc5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCCCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL268343,5.85
+COc1ccc(OCC(=O)O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL265335,5.77
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL289395,10.25
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL40145,6.36
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)CC1,CHEMBL416795,10.0
+CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)C(C1CCCCC1)C1CCCCC1,CHEMBL289333,5.52
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)C(C1CCCCC1)C1CCCCC1,CHEMBL288071,10.0
+CN(C)S(=O)(=O)N=C(N)N,CHEMBL298756,5.92
+N=C(N)NS(=O)(=O)C(F)(F)F,CHEMBL50022,6.05
+CN(C)c1cccc2c(S(=O)(=O)NN=C(N)N)cccc12,CHEMBL50467,6.89
+N=C(N)NS(=O)(=O)c1ccc(F)cc1,CHEMBL53755,6.62
+COC(=N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL52161,6.72
+NC(N)=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL298869,6.78
+N=C(N)NS(=O)(=O)Cc1ccccc1,CHEMBL53543,6.48
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL432704,7.21
+COc1ccc(S(=O)(=O)NN=C(N)N)cc1N,CHEMBL54261,6.66
+COC(=N)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL54137,6.46
+NC(N)=NNS(=O)(=O)c1ccc(Cl)cc1,CHEMBL54241,6.67
+NC(N)=NNS(=O)(=O)c1ccc(I)cc1,CHEMBL301750,6.75
+NC(N)=NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1,CHEMBL440114,6.81
+Cc1cc(C)c(S(=O)(=O)NN=C(N)N)c(C)c1,CHEMBL52109,6.66
+N=C(N)NS(=O)(=O)c1ccc(Br)cc1,CHEMBL50144,6.66
+N=C(N)NS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL53358,6.98
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL298925,7.92
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL51616,7.74
+CC(=O)Nc1ccc(S(=O)(=O)NN=C(N)N)cc1,CHEMBL50574,6.76
+N=C(N)NS(=O)(=O)c1cccc(N)c1,CHEMBL52803,6.97
+Cc1ccc(S(=O)(=O)NC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL50191,7.74
+N=C(N)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL52802,6.84
+N=C(N)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL296177,7.27
+NC(N)=NNS(=O)(=O)c1cccc2ccccc12,CHEMBL51392,6.9
+N=C(N)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1,CHEMBL430592,6.8
+NC(N)=NNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL301987,6.89
+N=C(N)NS(=O)(=O)c1ccccc1C(=O)O,CHEMBL51347,6.62
+COC(=N)NS(=O)(=O)c1ccc(F)cc1,CHEMBL53533,6.55
+NC(N)=NNS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL51458,7.01
+CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL298996,6.87
+COC(=N)NS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL52275,6.88
+COC(=N)NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1,CHEMBL431538,6.77
+COC(=N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1,CHEMBL51497,6.67
+COC(=N)NS(=O)(=O)c1cccc2c(N(C)C)cccc12,CHEMBL50751,6.86
+NC(N)=NNS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,CHEMBL50537,6.67
+Cc1ccc(S(=O)(=O)NC(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL298127,7.82
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL295709,7.2
+COC(=N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL297032,6.77
+COC(=N)NS(=O)(=O)c1cccc2ccccc12,CHEMBL299839,6.81
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL50681,7.57
+NC(N)=NNS(=O)(=O)c1ccc(N)cc1,CHEMBL300873,7.04
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL299624,8.0
+N=C(N)NS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,CHEMBL299652,6.65
+COC(=N)NS(=O)(=O)Cc1ccccc1,CHEMBL50103,6.35
+N=C(N)NS(=O)(=O)c1cccc2ccccc12,CHEMBL52846,6.87
+N=C(N)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL53960,6.88
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC[C@H]2C(=O)NCC(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL298913,7.68
+COC(=N)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1,CHEMBL299607,6.75
+COC(=N)NS(=O)(=O)c1ccc(OC)c(N)c1,CHEMBL50155,7.02
+Cc1ccc(S(=O)(=O)NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL50590,7.36
+Cc1ccc(S(=O)(=O)NC(=O)N2CCCC2C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL296176,7.37
+N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)C(CC1CCCCC1)NCC(=O)O,CHEMBL299617,7.82
+COC(=N)NS(=O)(=O)c1ccccc1[N+](=O)[O-],CHEMBL51446,6.45
+COC(=N)NS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,CHEMBL50449,6.62
+COC(=N)NS(=O)(=O)c1ccc(OC)cc1,CHEMBL299792,6.56
+Cc1ccc(S(=O)(=O)NC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL53802,7.82
+COC(=N)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL299653,6.25
+Cc1ccc(S(=O)(=O)NN=C(N)N)cc1,CHEMBL417546,6.57
+NC(N)=NNS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL300630,7.3
+NC(N)=NNS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL52917,7.96
+N=C(N)NS(=O)(=O)c1ccccc1[N+](=O)[O-],CHEMBL51121,6.49
+COC(=N)NS(=O)(=O)N(C)C,CHEMBL52123,5.86
+COC(=N)NS(=O)(=O)c1cccc(N)c1,CHEMBL51177,7.0
+COC(=N)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL51044,6.83
+NC(N)=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CHEMBL50253,6.77
+CC1(C)C2CCC1(CS(=O)(=O)NC(=N)N)C(=O)C2,CHEMBL51292,6.49
+NC(N)=NNS(=O)(=O)c1ccccc1[N+](=O)[O-],CHEMBL299582,6.49
+CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL54139,6.86
+N=C(N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1,CHEMBL52915,6.72
+N=C(N)NS(=O)(=O)c1cccs1,CHEMBL51261,6.73
+COC(=N)NS(=O)(=O)c1ccc(NC(C)=O)cc1,CHEMBL54307,6.69
+NC(N)=NNS(=O)(=O)c1ccc(Br)cc1,CHEMBL301082,6.69
+N=C(N)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL50522,6.65
+Cc1ccc(S(=O)(=O)NC(=N)N)cc1,CHEMBL50185,6.54
+N=C(N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL53694,6.74
+N=C(N)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL298526,6.28
+Cc1ccc(S(=O)(=O)NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL51635,7.37
+COC(=N)NS(=O)(=O)c1ccc(I)cc1,CHEMBL298638,6.61
+NC(N)=NNS(=O)(=O)c1ccccc1C(=O)O,CHEMBL300188,6.69
+COC(=N)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL53304,6.82
+COC(=N)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL51151,6.39
+NC(N)=NNS(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL51674,6.95
+N=C(N)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL52638,6.44
+COC(=N)NS(=O)(=O)C(F)(F)F,CHEMBL52323,6.05
+COC(=N)NS(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL54196,6.71
+CC(=O)Nc1ccc(S(=O)(=O)NC(=N)N)cc1,CHEMBL53801,6.71
+N=C(N)NS(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL51166,6.92
+Cc1ccc(S(=O)(=O)NC(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL301811,8.0
+COc1ccc(S(=O)(=O)NC(=N)N)cc1,CHEMBL51103,6.62
+COC(=N)NS(=O)(=O)c1ccc(N)cc1,CHEMBL51181,6.97
+NC(N)=NNS(=O)(=O)c1cccc(N)c1,CHEMBL432326,7.06
+COC(=N)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C,CHEMBL52968,6.47
+NC(N)=NNS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL300708,7.01
+N=C(N)NS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL51971,6.52
+N=C(N)NS(=O)(=O)c1ccc(N)cc1,CHEMBL338802,7.02
+COC(=N)NS(=O)(=O)c1ccc(C)cc1,CHEMBL416115,6.48
+COC(=N)NS(=O)(=O)c1ccccc1C(=O)O,CHEMBL53303,6.49
+CN(C)c1cccc2c(S(=O)(=O)NC(=N)N)cccc12,CHEMBL300407,6.92
+COC(=N)NS(=O)(=O)c1ccc(Br)cc1,CHEMBL53521,6.58
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL300666,7.8
+NC(N)=NNS(=O)(=O)c1ccc(F)cc1,CHEMBL54299,6.65
+COc1ccc(S(=O)(=O)NN=C(N)N)cc1,CHEMBL50889,6.64
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC[C@H]2C(=O)NCC(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1,CHEMBL298661,7.82
+COc1ccc(S(=O)(=O)NC(=N)N)cc1N,CHEMBL51102,6.99
+Cc1ccc(S(=O)(=O)NC(=O)N2CCCC2C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1,CHEMBL300298,7.32
+COC(=N)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL51997,6.58
+N=C(N)NS(=O)(=O)c1ccc(I)cc1,CHEMBL53812,6.68
+Cc1cc(C)c(S(=O)(=O)NC(=N)N)c(C)c1,CHEMBL299076,6.59
+N=C(N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1,CHEMBL53576,7.89
+COC(=N)NS(=O)(=O)c1cccs1,CHEMBL53243,6.67
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL50689,7.72
+N=C(N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL52641,6.82
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL53464,7.22
+COC(=N)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL50296,7.68
+NC(N)=NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL54250,6.91
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2n[nH]cc2c1,CHEMBL100181,6.52
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1,CHEMBL110440,6.77
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2sc(N)nc2C1,CHEMBL320542,6.92
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nn(C)cc2C1,CHEMBL316820,4.93
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2ncncc2C1,CHEMBL105920,4.47
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nc(N)sc2C1,CHEMBL110565,5.6
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nc(N)ncc2C1,CHEMBL321895,5.16
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nn(C)cc2C1,CHEMBL108458,4.6
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2[nH]ncc2C1,CHEMBL105980,5.33
+CC(=N)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C(=N)N)ccc3C=C(O)C(=O)O)cc2)CC1,CHEMBL292235,4.28
+N=C(N)c1ccc(C=C(O)C(=O)O)c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,CHEMBL55139,4.62
+N=C(N)c1ccc(C(=O)NCCOc2cc(C(=N)N)ccc2C=C(O)C(=O)O)cc1,CHEMBL52932,4.42
+Nc1cc(C2=NOC(CNS(N)(=O)=O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL7854,5.23
+Nc1cc(C2=NOC(CNC=O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL8090,4.85
+CS(=O)(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc3onc(N)c3c2)=NO1,CHEMBL8018,5.28
+Nc1cc(C2=NOC(CNS(=O)(=O)c3cccnc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL7928,4.77
+Nc1cc(C2=NOC(CNS(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL269393,5.18
+Nc1cc(C2=NOC(CNS(=O)(=O)Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL268329,5.21
+CCCS(=O)(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1,CHEMBL8135,4.74
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)c1,CHEMBL7651,5.99
+Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL307196,6.21
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL306300,4.92
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)cc3c(O)cccc32)c1,CHEMBL75544,6.11
+N=C(N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL307446,5.44
+N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL417020,6.48
+Cc1ccc(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54311,4.64
+COc1c(Br)cc(CCC(=O)O)cc1-c1[nH]c2ccc(C(=N)N)cc2c1Cc1ccccc1,CHEMBL50923,5.6
+N=C(N)c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL49987,6.36
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(CCC(=O)O)c3)c(Cc3ccccc3)c2c1,CHEMBL49973,4.92
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50933,6.59
+CC(C)(C(=O)O)c1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL51338,6.12
+N=C(N)c1ccc2[nH]c(-c3cc(CCCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50649,7.4
+COC(=O)Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL416127,7.1
+CN(C)C(=O)Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50090,7.37
+Cc1cc(C)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54093,5.16
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCCc2ccccc2)c1,CHEMBL297961,5.18
+N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL299009,6.92
+N=C(N)c1ccc2[nH]c(-c3cc(CC(N)=O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL52442,7.6
+N=C(N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53478,6.46
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCc2ccccc2)c1,CHEMBL53848,6.15
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50924,6.0
+Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54018,6.34
+N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53829,6.48
+NC(=O)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL433079,4.11
+NS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL327189,9.1
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL94787,8.59
+O=C(O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1,CHEMBL96484,6.32
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1,CHEMBL96320,5.92
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL327601,7.62
+CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL317167,6.68
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL96502,7.905
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(C1CCCCC1)C1CCCCC1,CHEMBL444548,7.54
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C(=O)N(C)C2CCCC2)cc1,CHEMBL7587,8.3
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(C1CCCCC1)C1CCCCC1,CHEMBL319996,7.82
+O=C(O)CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL330531,7.36
+O=C(NCC#Cc1cnc[nH]1)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL407631,8.52
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cn[nH]c1,CHEMBL329071,5.27
+Cn1cncc1C#CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL94759,5.26
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1C,CHEMBL353213,7.96
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1,CHEMBL167550,6.85
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,CHEMBL355730,8.8
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1,CHEMBL166530,6.08
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccn2ccnc2c1,CHEMBL166602,6.57
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,CHEMBL422387,7.74
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1,CHEMBL164924,7.96
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1,CHEMBL168176,7.74
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1,CHEMBL164333,8.49
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1,CHEMBL101563,7.96
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1,CHEMBL355314,8.92
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1,CHEMBL167755,8.18
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1,CHEMBL167995,8.43
+CN(C(=O)[C@H](CC#Cc1cccnc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL6879,5.6
+CN(C(=O)[C@H](CC#Cc1cccc(N)c1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7221,5.66
+CN(C(=O)[C@H](CC#Cc1cnc[nH]1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7201,5.52
+CN(C(=O)[C@H](CC#Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL269487,5.47
+CN(C(=O)[C@H](CC#Cc1ccc(N)c(N)c1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL266551,6.66
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3cc(OC)ccc3c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL7758,7.57
+CN(C(=O)[C@H](CC#Cc1ccc(NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7450,5.82
+CN(C(=O)[C@H](CC#Cc1ccc(N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL8122,6.54
+CN(C(=O)[C@H](CC#Cc1cnc(N)s1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL269020,5.35
+CN(C(=O)[C@H](CC#Cc1ccc(N)nc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7198,5.82
+CCCc1ccc(S(=O)(=O)N[C@@H](CC#Cc2ccc(NC)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL553108,8.1
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1N,CHEMBL7124,7.4
+CNc1ncc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cn1,CHEMBL266576,5.46
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cn1,CHEMBL7964,6.52
+CCNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL7126,4.31
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL415479,7.72
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(CC1CCC1)S2(=O)=O,CHEMBL416033,8.41
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)C2CC2)c(N)c1=O,CHEMBL286634,7.77
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O,CHEMBL32752,8.74
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)c2cccs2)c(N)c1=O,CHEMBL33839,8.77
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCCC2)c(N)c1=O,CHEMBL33480,8.92
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NCC2CCC2)c(N)c1=O,CHEMBL32661,9.12
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)C2CCCCC2)c(N)c1=O,CHEMBL32881,8.52
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O,CHEMBL32541,9.7
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(CC1CC1)S2(=O)=O,CHEMBL32549,8.68
+Cc1ccc(S(=O)(=O)c2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2N)cc1,CHEMBL32825,7.03
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(C1CCC1)S2(=O)=O,CHEMBL34614,8.0
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NC2CC2)c(N)c1=O,CHEMBL291243,8.13
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NC2CCC2)c(N)c1=O,CHEMBL32931,8.77
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)c2ccccc2)c(N)c1=O,CHEMBL32531,8.42
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(C1CC1)S2(=O)=O,CHEMBL32686,7.72
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NCC2CC2)c(N)c1=O,CHEMBL32280,8.35
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)Cc2ccccc2)c(N)c1=O,CHEMBL32471,8.8
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Br)cc3)C(=O)OC3CCCCC3)c(=O)n21,CHEMBL32203,8.82
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)cc3)C(=O)N3CCCC3)c(=O)n21,CHEMBL33927,7.62
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)cc3)C(=O)OC3CCCCC3)c(=O)n21,CHEMBL32887,10.24
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)c(Cl)c3)C(=O)OC(C)C)c(=O)n21,CHEMBL32360,7.28
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Br)cc3)C(=O)N3CCOCC3)c(=O)n21,CHEMBL285981,7.41
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)cc3)C(=O)N3CCOCC3)c(=O)n21,CHEMBL432080,8.11
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)c(Cl)c3)C(=O)OC3CCCCC3)c(=O)n21,CHEMBL33307,7.06
+COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2n(c1=O)C(C(=O)NC[C@H]1CC[C@H](N)CC1)C=CC2,CHEMBL36012,10.64
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Br)cc3)C(=O)OC(C)C)c(=O)n21,CHEMBL33600,10.06
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)c(Cl)c3)C(=O)N3CCCC3)c(=O)n21,CHEMBL32274,7.74
+CCOC(=O)C(CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2n(c1=O)C(C(=O)NCc1ccc(N)nc1C)C=CC2,CHEMBL34122,7.55
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Cl)cc3)C(=O)OC(C)C)c(=O)n21,CHEMBL33141,8.82
+CCOC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2n(c1=O)C(C(=O)NCc1ccc(N)nc1C)C=CC2,CHEMBL33371,9.57
+Cc1nc(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(CSc3ccc(Br)cc3)C(=O)N3CCCC3)c(=O)n21,CHEMBL33247,7.52
+Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL93087,5.85
+N=C(N)c1cccc(COC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL92836,5.61
+N=C(N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL96650,5.48
+Cc1cccc2c1cc(C(=O)NCc1cc(Cl)cc(Cl)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL92776,5.79
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3Cl)cc3c(O)cccc32)c1,CHEMBL96231,6.57
+N=C(N)c1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL327408,5.38
+N=C(N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL328307,4.0
+Cc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc(C(F)(F)F)c1,CHEMBL328690,6.32
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL552783,5.04
+C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL540899,4.24
+Cc1cccc2c1cc(C(=O)NCc1nccc3ccccc13)n2Cc1cccc(C(=N)N)c1,CHEMBL327986,6.7
+Cc1cccc2c1c(Br)c(C(=O)NCc1cccc(C(=N)N)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL91757,5.68
+N=C(N)c1cccc(Cn2c(C(=O)NCc3nccc4ccccc34)cc3c(O)cccc32)c1,CHEMBL329359,6.54
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)cc3c(O)cccc32)c1,CHEMBL329182,5.77
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3c(O)cccc32)c1,CHEMBL91797,5.93
+Cc1cccc2c1cc(C(=O)NCc1cccc(C(=N)N)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL330106,5.62
+CC(C)(C)OC(=O)Nc1ccc2c(c1)cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL554176,4.55
+Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)Cc3ccccc3)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541659,5.41
+N=C(N)c1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL91870,5.25
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541151,4.8
+N=C(N)c1cccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL419704,5.37
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N[C@H](C)Cc2ccccc2)c1=O,CHEMBL336438,9.28
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)c(Cl)nc(NCCc2ccccc2)c1=O,CHEMBL140885,8.15
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NC(C)(C)Cc2ccccc2)c1=O,CHEMBL141266,7.62
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N[C@@H](C)Cc2ccccc2)c1=O,CHEMBL139178,7.66
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1,CHEMBL139331,8.08
+Cc1cc(N)nc(C)c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL138855,9.46
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CCCN1,CHEMBL93315,9.4
+CN1CCOc2ccccc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)C1,CHEMBL96801,8.52
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1,CHEMBL352564,9.4
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1,CHEMBL418965,10.3
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOc2ccc(Cl)cc2CN1,CHEMBL317059,6.25
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccccc2CN1,CHEMBL327421,10.05
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCCCCOc2ccc(Cl)cc2CN1,CHEMBL94413,9.2
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccccc2CN1,CHEMBL329266,8.6
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCNCc2ccccc2CN1,CHEMBL329912,9.29
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)NCCCCCCOc2ccc(Cl)cc2CN1,CHEMBL317393,9.89
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccccc2CN1,CHEMBL96599,8.68
+CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1,CHEMBL92615,10.7
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCC=CCOc2ccc(Cl)cc2CN1,CHEMBL94864,9.995
+N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1,CHEMBL94640,8.3
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)C(C2CCCCC2)NC(=O)CCN1,CHEMBL94622,8.89
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCOc2ccc(Cl)cc2CN1,CHEMBL316901,9.7
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccc(Cl)cc2CN1,CHEMBL96354,10.3
+CCNC(=O)Oc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1,CHEMBL96893,9.13
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCOc2ccc(Cl)cc2CN1,CHEMBL329991,7.59
+CCN(CC)C(=O)CN[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1,CHEMBL330560,9.51
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(F)ccc1C(F)(F)F,CHEMBL284871,8.77
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1,CHEMBL29592,8.15
+COc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,CHEMBL29417,8.52
+CCOc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,CHEMBL280640,8.28
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1c(F)cccc1C(F)(F)F,CHEMBL285579,8.89
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OC(F)F,CHEMBL27180,8.52
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(F)c1,CHEMBL287417,8.14
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(F)ccc1F,CHEMBL29510,8.62
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(Cl)c1Cl,CHEMBL416754,8.7
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OC(F)(F)F,CHEMBL29181,8.62
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ncccc1F,CHEMBL29657,8.51
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1F,CHEMBL29656,8.32
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F,CHEMBL30054,8.28
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ncccc1Cl,CHEMBL29019,8.54
+COc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1,CHEMBL26213,8.92
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1Cl,CHEMBL281982,10.06
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(Cl)c1,CHEMBL25845,9.59
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(OC(F)F)c1,CHEMBL283851,8.15
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccc(F)c(Cl)c1,CHEMBL28474,8.44
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OCC(F)(F)F,CHEMBL286720,8.74
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1F,CHEMBL26679,9.8
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1Cl,CHEMBL26804,8.6
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1C(F)(F)F,CHEMBL284225,8.44
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1F,CHEMBL282837,8.64
+Cc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,CHEMBL285796,8.2
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(Br)c1,CHEMBL29744,9.72
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1c(F)ccc(F)c1F,CHEMBL28966,8.96
+Cc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1,CHEMBL418017,9.1
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1c(F)cccc1F,CHEMBL29389,9.07
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccnc(N)c3c2)n1,CHEMBL140290,5.19
+CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(CO)cc(OCC2(CON=C(N)N)CC2)c1,CHEMBL38351,6.39
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1,CHEMBL37476,6.99
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL36272,8.68
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cnccc23)c1,CHEMBL289550,7.88
+COc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL37230,7.46
+CCc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL433044,7.53
+Cc1cc(OCC(F)CON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL290455,6.94
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2C#N)c1,CHEMBL37583,8.0
+COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL36943,8.17
+Cc1cc(OCC(O)CON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL36099,6.86
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,CHEMBL37889,8.17
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3c2NCCC3)c1,CHEMBL289367,7.51
+CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL37669,7.4
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1,CHEMBL37884,8.32
+C=C(CON=C(N)N)COc1cc(C)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL34925,7.49
+Cc1cc(OCC2(CON=C(N)N)CC2)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL36040,8.11
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2N)c1,CHEMBL38280,7.06
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1,CHEMBL36886,6.13
+Cc1cc(OCC(F)(F)CON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1,CHEMBL35268,6.44
+Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1,CHEMBL37894,6.69
+CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(F)cc(OCC2(CON=C(N)N)CC2)c1,CHEMBL34483,7.31
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccc(Cl)cc1,CHEMBL283022,9.51
+NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1,CHEMBL285140,5.7
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1,CHEMBL28365,10.14
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1,CHEMBL28817,10.15
+COc1ccc(CCNC(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCN3CC[C@@](N)(Cc4ccccc4)CN23)cc1,CHEMBL29309,9.35
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1,CHEMBL282830,9.19
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nccs1,CHEMBL28922,8.62
+Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12,CHEMBL442766,5.82
+COc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1,CHEMBL340577,5.0
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2F)ccc1Cl,CHEMBL122902,5.92
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)ccc1Cl,CHEMBL333806,5.8
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)ccc1Cl,CHEMBL124834,5.1
+COc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1N,CHEMBL122456,5.4
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1Cl,CHEMBL123272,5.8
+Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,CHEMBL333270,6.22
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL441283,6.4
+N=C(N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)CC1,CHEMBL352178,7.15
+COc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)CC3CCN(C(=N)N)CC3)C2=O)cc1OC,CHEMBL163035,7.07
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)CC3CCN(C(=N)N)CC3)C2=O)c1,CHEMBL351306,6.78
+N=C(N)N1CCC(CC(=O)CN2C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)CCc3ccccc32)CC1,CHEMBL436430,7.21
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)Cc3ccc(C(=N)N)cc3)C2=O)c1,CHEMBL165665,8.05
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)cc1,CHEMBL162216,7.71
+N=C(N)c1ccc(CC(=O)CN2C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)CCc3ccccc32)cc1,CHEMBL351256,7.84
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1,CHEMBL350955,7.71
+N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)CC1,CHEMBL164180,7.27
+COc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)Cc3ccc(C(=N)N)cc3)C2=O)cc1OC,CHEMBL351616,7.88
+N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)CC1,CHEMBL350117,6.71
+N=C(NO)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1,CHEMBL164910,6.62
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)c(F)c1,CHEMBL162289,7.53
+N=C(N)NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)O,CHEMBL1161500,9.27
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1,CHEMBL355378,6.79
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)s1,CHEMBL162452,9.22
+Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1=O,CHEMBL424172,7.4
+O=C(Cc1ccc2n[nH]cc2c1)CN1CCCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1=O,CHEMBL162730,6.55
+COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O,CHEMBL1161499,9.02
+N=C(N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)CC1,CHEMBL349172,7.62
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1,CHEMBL354456,8.21
+Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O,CHEMBL350262,7.03
+N=C(N)N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1,CHEMBL163312,7.97
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL310664,9.7
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)c(F)c1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL314189,9.05
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)cc2F)C(=O)N(C)C2CCCC2)cc1,CHEMBL313296,9.15
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)c(F)c1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL83205,8.26
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1F)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL82072,8.7
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)c(F)c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL312011,8.74
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(N)=NN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL312244,10.22
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL82057,10.0
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1F)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL84454,9.3
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(N)=NN)cc3F)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL79304,9.7
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCCl)CC2)C1,CHEMBL24933,7.03
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1,CHEMBL27268,7.28
+CCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL24982,6.62
+CNS(=O)(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL28334,6.92
+CNC(=O)OCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL24186,7.42
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCN)CC2)C1,CHEMBL282568,5.93
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCN(CCO)CC2)C1,CHEMBL27281,6.46
+CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL27267,7.19
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL422401,7.1
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCC(=O)O)CC2)C1,CHEMBL28439,5.11
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL286064,7.59
+CN(C)C(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL282065,6.0
+CC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL28272,6.18
+CCCCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL28103,6.74
+COC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL28071,7.25
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL28277,7.62
+CN(C)CCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL27726,4.42
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCC2)CC1,CHEMBL82535,8.15
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCCCC2)CC1,CHEMBL82658,8.89
+CN(C1CCCCC1)[C@@H](CCC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL312647,8.74
+N=C(N)c1ccc(OCC[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL81056,9.43
+CN(C1CCCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL84389,9.28
+N=C(N)N1CCC(OCC[C@@H]2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCCC2)CC1,CHEMBL309403,8.96
+CN(C1CCC=CCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL84229,9.1
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@@H](Cc2ccccc2)NCC(=O)O)CC1,CHEMBL81643,6.43
+CN1CCC(N[C@@H](CC(=O)O)C(=O)N2CCCC[C@H]2CCOC2CCN(C(=N)N)CC2)CC1,CHEMBL79442,7.05
+CN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL81521,8.66
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NCC2CCCCC2)CC1,CHEMBL81436,7.8
+N=C(N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL81844,6.92
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCC2)CC1,CHEMBL81251,7.49
+CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=N)N)CC1,CHEMBL312661,7.82
+CCN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCCC1CCOC1CCN(C(=N)N)CC1,CHEMBL83280,7.8
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](N)Cc2ccccc2)CC1,CHEMBL313788,7.25
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)CC1,CHEMBL309670,9.02
+CCC(CC)N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL418923,8.01
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cccn1,CHEMBL321141,8.16
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cncn1,CHEMBL100854,9.8
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1,CHEMBL105455,7.92
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1ccnc1,CHEMBL102437,8.2
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1,CHEMBL441463,8.96
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cncn1,CHEMBL102866,9.35
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cncn1,CHEMBL101585,8.97
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL102978,9.48
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cncn1,CHEMBL320664,8.74
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1,CHEMBL102500,10.3
+N[C@H](Cc1ccccn1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL319272,9.4
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C(c1ccccc1)c1ccccc1,CHEMBL103581,8.52
+O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL103342,10.48
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cnnn1,CHEMBL320162,7.85
+Cn1nnnc1-c1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O,CHEMBL102971,8.92
+O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cncn1,CHEMBL101588,7.8
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL323583,10.89
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1csnn1,CHEMBL317915,9.08
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1,CHEMBL103197,8.14
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1-n1cncn1,CHEMBL103648,8.14
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL103874,10.74
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ncc[nH]1,CHEMBL319443,8.14
+N[C@H](Cc1ccccn1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cncn1,CHEMBL103692,8.7
+Cn1nnc(-c2ccccc2CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)n1,CHEMBL105909,8.24
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1c[nH]cn1,CHEMBL103522,8.38
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1,CHEMBL103738,10.02
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1-n1cnnn1,CHEMBL102400,9.85
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cncn1,CHEMBL102122,10.07
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnc1,CHEMBL317294,8.46
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1,CHEMBL102979,9.68
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1-n1cncn1,CHEMBL103862,9.18
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1-n1cnnn1,CHEMBL322208,8.85
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL321130,6.747999999999999
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1cc[nH]n1,CHEMBL319022,8.25
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1nn[nH]n1,CHEMBL102511,6.03
+Cc1ccc(-n2cncn2)c(CNC(=O)CN2C=CN=C(NCC(F)(F)c3ccccn3)C2)c1,CHEMBL1201843,9.62
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cccc(Cl)c1,CHEMBL102174,9.36
+O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1,CHEMBL322696,8.57
+CCOC(=O)CN1CCC(Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CC1,CHEMBL331690,6.72
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(O[C@H]3CN[C@H](C(=O)O)C3)c2F)c1,CHEMBL332189,6.6
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL332388,6.55
+CCOC(=O)CN(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL333266,6.2
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL331213,6.85
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL120438,6.72
+N=C(N)c1ccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)cc1,CHEMBL330802,5.92
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL332322,6.9
+Cc1c(F)c(Oc2cccc(CN(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL312378,4.66
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N21,CHEMBL421428,6.95
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N21,CHEMBL120842,6.84
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21,CHEMBL332578,5.29
+N=C(N)NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21,CHEMBL120162,4.71
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL124042,5.84
+N=C(N)NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21,CHEMBL332426,4.2
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL262199,6.12
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21,CHEMBL332587,4.99
+N=C(N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1,CHEMBL24827,5.82
+O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1,CHEMBL23468,5.7
+O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1,CHEMBL281715,5.0
+O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1,CHEMBL25835,6.7
+O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1,CHEMBL23246,5.15
+O=S(=O)(NCCc1cccc(OCCNc2ccncc2)c1)c1ccc(Cl)cc1,CHEMBL25890,5.55
+Cc1cccc(OCCNc2ccncc2)c1,CHEMBL23243,4.52
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1[N+](=O)[O-])B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606958,7.82
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606949,7.37
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606953,8.06
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606954,8.49
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606957,7.17
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ncnc1[N+](=O)[O-])B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606955,6.7
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606952,5.7
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1ccccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL607013,6.64
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1[N+](=O)[O-])B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606961,6.19
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ncnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606956,6.29
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1nnnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL607009,6.46
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1ccnc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606950,6.82
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606951,8.68
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL607012,6.22
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL353712,8.77
+NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F,CHEMBL151939,5.44
+NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL148944,5.39
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)c(CN)c1,CHEMBL151201,5.04
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(CN)c1,CHEMBL151627,4.85
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CN)cc1,CHEMBL348441,5.85
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(CN)c1,CHEMBL148718,5.19
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CN)c(F)c1,CHEMBL146910,5.82
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c(CN)c1,CHEMBL151750,4.82
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93536,5.92
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL319206,5.85
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93227,5.92
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL433369,5.51
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL264628,5.68
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL1202108,10.35
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(=O)OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329568,5.68
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316349,5.57
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL408928,5.42
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)nc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL321314,4.97
+COC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92988,4.8
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328239,5.51
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92519,5.74
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL72514,6.22
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL91796,5.46
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327430,5.55
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL92523,5.41
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328298,5.62
+CCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL318112,5.19
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL264626,7.15
+CCCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL330284,5.4
+CCSCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316311,5.0
+CCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327403,5.37
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ncc(-c4ccccc4S(N)(=O)=O)cn3)C2)c1,CHEMBL327331,5.315
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92909,5.13
+COCCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL94052,5.36
+CCS(=O)(=O)CC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328805,4.89
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)C2)c1,CHEMBL323309,6.52
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL328069,6.167000000000001
+N=C(N)c1cccc(C2=NOC(Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL91999,5.54
+CCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328582,5.595
+N=C(N)c1cccc(C2=NOC(Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL436684,5.47
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL321530,7.0
+CC(C)COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328451,5.41
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92609,5.09
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL330496,5.24
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2)c1,CHEMBL323310,6.3
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93744,5.24
+CC(C)OCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327473,5.35
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)C1(Cn2cnnn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329460,6.52
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL406295,5.7
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)(C(F)(F)F)C2)c1,CHEMBL445678,5.21
+CCSCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327201,5.55
+N=C(N)c1cccc(C2=NOC(Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL316070,5.89
+COCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327405,4.8
+COC(=O)CC1(C(=O)Nc2cccc(C(=N)N)c2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93445,4.93
+N=C(N)c1ccc(NC(=O)C2CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL93657,4.8
+N=C(N)c1ccc(NC(=O)CC2CC(c3ccc(C(=N)N)cc3)=NO2)cc1,CHEMBL94799,5.66
+N=C(N)c1ccc(NC(=O)CC2CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL97842,4.95
+N=C(N)c1cccc(NC(=O)CC2CC(c3cccc(C(=N)N)c3)=NO2)c1,CHEMBL94563,4.95
+N=C(N)c1ccc(C2=NOC(CC(=O)Nc3cccc(C(=N)N)c3)C2)cc1,CHEMBL317590,5.66
+COC(=O)CNC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL96879,5.51
+COC(=O)CC1(C(=O)Nc2cccc(C(=N)N)c2)CC(c2ccc(C(=N)N)cc2)=NO1,CHEMBL94761,4.85
+CC1CNc2c(cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCC(CCCl)CC2)C1,CHEMBL342083,7.96
+CC(=O)NCCC1CCN(C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C)C3)CC1,CHEMBL139606,7.18
+CC1CNc2c(cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)N2CCC(CCC(=O)NCCC(=O)O)CC2)C1,CHEMBL344993,6.55
+Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)OCc2ccccc2)C(O)c2nc3ccccc3s2)cc1,CHEMBL319615,5.28
+Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)OCc2ccccc2)C(O)c2nc3ccccc3s2)cc1,CHEMBL322444,4.8
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CCCCCNC(=O)CNCC(=O)NCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL415237,8.14
+CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC(=O)O)C(=O)O,CHEMBL267326,6.87
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL414974,10.08
+CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL408556,6.55
+CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN(C)CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL415375,10.46
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CSCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL415358,8.97
+CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC(=O)O)C(=O)O,CHEMBL410552,6.8
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL409563,5.84
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN(C)CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL437999,10.08
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(C)=N)CC2)cc1,CHEMBL344281,4.82
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCOCC2)cc1,CHEMBL357832,5.1
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)CC)CC2)cc1,CHEMBL147631,4.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)N)CC2)cc1,CHEMBL146940,5.1
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCNCC2)cc1,CHEMBL147436,4.8
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)c3ccc(OC)cc3)CC2)cc1,CHEMBL144707,5.3
+C=CCOC(=O)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)CC1,CHEMBL435028,5.4
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C(=N)N)C2)cc1,CHEMBL344309,4.89
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc32)CC1,CHEMBL340088,7.77
+CC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)(c1ccccc1)c1ccccc1,CHEMBL543648,7.8
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)C2CCCCC2)CC1,CHEMBL408125,8.25
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1,CHEMBL555333,7.85
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL555753,8.52
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1,CHEMBL122894,8.7
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL96433,6.49
+N=C(N)c1ccc2nc(-c3c(O)cccc3O)[nH]c2c1,CHEMBL93269,4.77
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL92251,4.92
+N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL327715,4.82
+N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,CHEMBL328772,6.92
+N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1,CHEMBL92883,6.54
+N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1,CHEMBL92250,4.47
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,CHEMBL330234,6.49
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1,CHEMBL91962,5.85
+COc1c(-c2ccccc2)cccc1-c1cc2cc(C(=N)N)ccc2[nH]1,CHEMBL318526,4.66
+N=C(N)c1ccc(Oc2ccc(Oc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL26856,5.57
+N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1,CHEMBL30044,6.02
+N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2I)cc1,CHEMBL26370,6.1
+N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL25105,6.65
+Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL109217,6.19
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL327136,6.92
+Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1,CHEMBL111160,7.0
+CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O,CHEMBL111013,5.64
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1,CHEMBL109696,7.15
+Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1,CHEMBL111703,6.25
+CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCC2CCc3nc(N)sc3C2)c1=O,CHEMBL109228,5.42
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2c(sc(=N)n2N)C1,CHEMBL111122,7.38
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1,CHEMBL419008,7.11
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1,CHEMBL109345,5.94
+Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCc4[nH]ncc4C3)c2=O)cc1,CHEMBL324859,6.99
+CCCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O,CHEMBL322542,5.87
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL111468,6.8
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL110201,7.0
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1,CHEMBL110415,6.83
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2c(sc(=N)n2N)C1,CHEMBL109999,7.66
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1,CHEMBL109546,6.8
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1,CHEMBL419023,5.84
+N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1,CHEMBL135723,4.83
+C=C1CCC(c2ccc(CNC(=N)N)cc2)C(=O)O1,CHEMBL335908,4.42
+CC(=N)N1CC[C@H](Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL314535,5.38
+N=C(N)c1cccc(N2CCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL329127,5.14
+N=C(N)c1ccc(N2CCCCN(c3cccc(C(=N)N)c3)C2=O)cc1,CHEMBL91654,5.03
+N=C(N)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL330125,4.96
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL421370,5.7
+COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(=N)N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1,CHEMBL287964,8.96
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3cccc(-c4ccccc4)c3)O[C@@H]1C2,CHEMBL290363,6.96
+Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL290378,8.0
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3cccc(-c4cccc(NS(C)(=O)=O)c4)c3)O[C@@H]1C2,CHEMBL43140,8.46
+Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](CCCCN)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288539,6.24
+CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](CCCNC(=N)N)B3O[C@@H]4CC5CC(C5(C)C)[C@]4(C)O3)o2)c1,CHEMBL297536,7.52
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)o3)O[C@@H]1C2,CHEMBL40364,6.86
+CC1(C)OB([C@H](CCCNC(=N)N)NC(=O)c2ccccc2)OC1(C)C,CHEMBL418427,6.29
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)cc3F)O[C@@H]1C2,CHEMBL290836,8.92
+Cc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL40854,9.68
+N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)B(O)O,CHEMBL264370,8.77
+Cc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL289318,9.38
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)cc3)O[C@@H]1C2,CHEMBL276880,9.03
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)Cc3ccc(-c4ccccc4)cc3)O[C@@H]1C2,CHEMBL434971,8.16
+Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](CCCCN)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL289709,6.39
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)cc3N)O[C@@H]1C2,CHEMBL296663,8.89
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)c([N+](=O)[O-])c3)O[C@@H]1C2,CHEMBL263204,8.31
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)c(N)c3)O[C@@H]1C2,CHEMBL289147,8.26
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(=N)N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1,CHEMBL290212,9.44
+Cc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](CCCCN)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL42852,7.59
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+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccncc4)cc3)O[C@@H]1C2,CHEMBL40407,7.72
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1,CHEMBL308232,7.66
+Cc1ccc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)c1,CHEMBL3142745,7.4
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1)C(c1ccccc1)c1ccccc1,CHEMBL3349684,10.0
+NC(C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL3142667,6.96
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+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2COc3ccccc3O2)CC1,CHEMBL420689,7.12
+N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc32)CC1,CHEMBL364255,8.82
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)CC1,CHEMBL130119,8.52
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccc(O)cc2)c2ccccc2)CC1,CHEMBL434417,8.6
+COc1cc(C(O)C(=O)N2CCC[C@H]2C(=O)NCC2CCC(N)CC2)ccc1O,CHEMBL131999,8.6
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL97597,8.21
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+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3cccc(Cc4ccccc4C(F)(F)F)c3)O[C@@H]1C2,CHEMBL2448365,10.15
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+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3cccc(Cc4ccc5c(c4)OCO5)c3)O[C@@H]1C2,CHEMBL2448362,10.05
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+COc1ccccc1Sc1cccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c1,CHEMBL2448376,9.72
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3Oc3ccccc3)O[C@@H]1C2,CHEMBL2448374,9.57
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3cccc(Cc4ccccc4)c3)O[C@@H]1C2,CHEMBL2448364,9.72
+COc1ccccc1S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c1,CHEMBL2448366,9.24
+Cc1ccccc1Cc1cccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c1,CHEMBL2448371,9.6
+COc1ccc(Sc2cccc(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)c2)cc1,CHEMBL2448375,9.38
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3cccc(Cc4cccc(C(F)(F)F)c4)c3)O[C@@H]1C2,CHEMBL2448372,9.8
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3cccc(S(=O)(=O)c4ccccc4)c3)O[C@@H]1C2,CHEMBL2448367,9.07
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+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431267,6.04
+COc1ccc2sc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2n1,CHEMBL96218,6.68
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1,CHEMBL330011,5.59
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1,CHEMBL328893,5.4
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431281,5.96
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL90741,5.51
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1,CHEMBL93151,5.59
+CCC1(N)C(=O)N2C(Cc3ccccc3)C=CC(C(=O)NC(CCCCN)C(=O)C(N)=O)N2C1=O,CHEMBL307727,8.36
+C=CCC1(CC=C)C(=O)N2CC(C)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(C(N)=O)cc3)N2C1=O,CHEMBL308576,7.74
+NCCCCC(NC(=O)C1C=CCn2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n21)C(=O)C(=O)NCCc1ccc(C(N)=O)cc1,CHEMBL75190,9.52
+CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(CC(C)C)(CC(C)C)C(=O)N2C1,CHEMBL309360,8.29
+CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1,CHEMBL306797,10.46
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+CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(Cc3ccccc3)(Cc3ccccc3)C(=O)N2C1,CHEMBL312452,8.72
+CCCCC1(CCCC)C(=O)N2CC(C)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(C(N)=O)cc3)N2C1=O,CHEMBL307587,9.7
+CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL39375,6.61
+CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1,CHEMBL40319,4.22
+Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1,CHEMBL38617,5.66
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc3cncnc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL289628,5.34
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL39086,7.57
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL1907777,4.71
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1,CHEMBL40904,5.8
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1,CHEMBL1907779,6.55
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCc2ccccc2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL288041,4.33
+CC(=O)OCCC1CCN(C(=O)C(Cc2nc3ccccc3[nH]2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL418248,6.34
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL289493,5.51
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1,CHEMBL1907778,6.9
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC(CCF)CC2)C1,CHEMBL416600,8.22
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(-c3ccccc3)cs2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL288938,5.48
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL290883,5.17
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL43074,6.11
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL290025,6.93
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL38907,6.12
+CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc3ccncc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL289623,6.09
+CC1(C)CNc2c(cc(CO)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL41938,7.19
+CC1(C)CNc2c(cc(CCO)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL41144,7.41
+CC1(C)CNc2c(cc(CCC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL263806,7.24
+CNC(=O)OCc1cc2c(c(S(=O)(=O)N[C@@H](Cc3nc4ccccc4s3)C(=O)N3CCC(CCF)CC3)c1)NCC(C)(C)C2,CHEMBL43397,7.11
+CC1(C)CNc2c(cc(CCCO)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL289185,6.92
+COCCOCOCc1cc2c(c(S(=O)(=O)N[C@@H](Cc3nc4ccccc4s3)C(=O)N3CCC(CCF)CC3)c1)NCC(C)(C)C2,CHEMBL287714,6.9
+CC1(C)CNc2c(cc(C(=O)O)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL433823,6.44
+CC(=O)N1CCN(C(=O)CCc2cc3c(c(S(=O)(=O)N[C@@H](Cc4nc5ccccc5s4)C(=O)N4CCC(CCF)CC4)c2)NCC(C)(C)C3)CC1,CHEMBL287715,7.47
+CN(C)C(=O)CCc1cc2c(c(S(=O)(=O)N[C@@H](Cc3nc4ccccc4s3)C(=O)N3CCC(CCF)CC3)c1)NCC(C)(C)C2,CHEMBL288920,7.47
+CC1(C)CNc2c(cc(CCCC(=O)O)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL289485,7.03
+CC1(C)CNc2c(cc(CC(=O)O)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL37454,6.3
+CCOC(=O)c1cc2c(c(S(=O)(=O)N[C@@H](Cc3nc4ccccc4s3)C(=O)N3CCC(CCF)CC3)c1)NCC(C)(C)C2,CHEMBL440109,6.14
+CC1(C)CNc2c(cc(CCNC(N)=O)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL412432,7.33
+CC1(C)CNc2c(cc(CCC(=O)N3CCN(Cc4ccncc4)CC3)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL263808,7.57
+CC1(C)CNc2c(cc(CCC(=O)O)cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1,CHEMBL38996,7.09
+NC(C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1)C(c1ccccc1)c1ccccc1,CHEMBL3142712,7.15
+CC(C)(C)OC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)C1,CHEMBL2448350,8.51
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+NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1cccc(C(F)(F)F)c1)B(O)O,CHEMBL2448349,9.11
+NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@H]1c1ccccc1)B(O)O,CHEMBL3037937,9.34
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H]3CNC[C@@H]3c3cccc(C(F)(F)F)c3)O[C@@H]1C2,CHEMBL2448355,8.25
+N=C(N)N1CCc2sc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7c(s6)CCN(C(=N)N)C7)CC5)cc4)CC3)cc2C1,CHEMBL112197,4.54
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)Nc5ccc(-c6c[nH]cn6)cc5)cc4)CC3)cc2c1,CHEMBL109627,5.28
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccccc4OCC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL111643,4.06
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)NCc5ccccc5)cc4)CC3)cc2c1,CHEMBL113531,4.55
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL110645,4.09
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CCCCC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL110588,4.64
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CCCCCC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL326443,4.07
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7cc(C(=N)N)ccc7o6)CC5)cc4)CC3)cc2c1,CHEMBL322345,4.49
+N=C(N)c1ccc2sc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7cc(C(=N)N)ccc7s6)CC5)cc4)CC3)cc2c1,CHEMBL112240,4.66
+N=C(N)Nc1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7cc(NC(=N)N)ccc7o6)CC5)cc4)CC3)cc2c1,CHEMBL111400,4.62
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CCCC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL110536,4.49
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CO[C@H]4CCC[C@@H](OCC(=O)N5CCN(C(=O)c6cc7cc(C(=N)N)ccc7o6)CC5)CCC4)CC3)cc2c1,CHEMBL324622,4.82
+N=C(N)c1ccc2oc(C(=O)N3CCN(C(=O)CCC(=O)N4CCN(C(=O)c5cc6cc(C(=N)N)ccc6o5)CC4)CC3)cc2c1,CHEMBL109251,4.29
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNC(=N)N)c1,CHEMBL290226,5.7
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCNC(=N)N)c1,CHEMBL40704,6.2
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCCN)c1,CHEMBL40373,5.0
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCN)c1,CHEMBL417348,5.19
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCCCN)c1,CHEMBL43754,5.05
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCCCNC(=N)N)c1,CHEMBL44521,5.15
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCNC(=N)N)c1,CHEMBL289790,6.74
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCCNC(=N)N)c1,CHEMBL40775,5.19
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C(C)=C/c1cccc(N)c1,CHEMBL25478,6.42
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1ccc(N)cc1,CHEMBL423480,6.06
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1ccc(N)cc1,CHEMBL280342,5.6
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL25474,5.3
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25184,7.66
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL24915,5.59
+CCc1nc2c(N)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL277204,5.46
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25063,5.82
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25477,7.12
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL283901,6.68
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cccc(N)c1,CHEMBL24460,6.7
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25068,6.21
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cccc(N)c1,CHEMBL25484,6.06
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL282260,6.72
+CCc1nc2c([N+](=O)[O-])c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL25073,5.52
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2ccc(C(=N)N)cc2)c1,CHEMBL279721,5.44
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL25527,5.95
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL24780,6.11
+COc1ccc(C(=O)OC[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL13769,4.85
+CCOC(=O)[C@]1(NS(=O)(=O)Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C(=N)N)C2O)C1=O,CHEMBL329865,9.0
+N=C(N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O,CHEMBL314914,9.0
+COc1cccc([C@H](C)NC(=O)CNC(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL34887,4.74
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1,CHEMBL36002,4.29
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1cccc(Br)c1,CHEMBL35586,4.8
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2c(c1)NC(=O)CO2,CHEMBL290334,4.79
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2c(c1)OCCO2,CHEMBL33705,4.95
+N=C(N)c1ccc(NC(=O)NCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1,CHEMBL34067,5.0
+NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(O)CC2)cc1,CHEMBL350751,4.81
+CN(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL162315,5.51
+CC(C)N(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL162929,6.22
+NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)cc1,CHEMBL349653,4.01
+NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)cc1,CHEMBL164661,6.7
+CC(C)NC(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL165195,4.5
+C[C@H]1CNc2cc(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCCCC3C(=O)O)ccc2C1,CHEMBL1160894,7.72
+CC(C)COc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62492,4.05
+C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62807,4.96
+N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,CHEMBL64579,5.12
+CC(C)COc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62836,4.64
+C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL61442,4.85
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCNC4)c3O)nc2cc1F,CHEMBL303978,4.3
+C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL293892,4.8
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F,CHEMBL302913,4.49
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCNC4)c3O)nc2cc1F,CHEMBL61791,4.3
+CCOc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL293657,5.05
+N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCN4)c3O)nc2cc1F,CHEMBL62397,4.15
+N=C(N)c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1,CHEMBL303992,4.82
+CC(C)COc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL60831,5.12
+C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL416674,4.7
+C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)CC1,CHEMBL62509,5.0
+N=C(N)c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,CHEMBL62370,4.82
+CCOc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64838,4.51
+CC(C)COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64676,4.82
+C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)C1,CHEMBL294067,4.66
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCO4)c3O)nc2cc1F,CHEMBL62588,4.7
+N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,CHEMBL59704,6.49
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CCN,CHEMBL117387,8.39
+NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL118077,7.21
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1,CHEMBL116597,5.34
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN,CHEMBL116202,10.3
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1N,CHEMBL119779,6.33
+NCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL324349,6.5
+Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(C)cc1CN,CHEMBL332934,7.41
+COc1ccc2cc(S(=O)(=O)NC(Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL334257,8.18
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CN,CHEMBL116015,8.28
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(CN)c1,CHEMBL117147,6.31
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1,CHEMBL117365,6.89
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN,CHEMBL116258,9.89
+CN(C(=O)C(Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1,CHEMBL119820,8.48
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(CN)cc1,CHEMBL115755,7.31
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN,CHEMBL420682,10.34
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL117098,8.48
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1,CHEMBL102502,5.8
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1,CHEMBL102345,5.85
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)c1,CHEMBL104995,5.82
+N=C(N)c1cccc(N2CCCCN(C3CCN(CCc4ccccc4)CC3)C2=O)c1,CHEMBL556200,5.44
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160810,5.59
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)C2=O)c1,CHEMBL1160812,5.2
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccnc4)CC3)C2=O)c1,CHEMBL1160794,5.28
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccncc4)CC3)C2=O)c1,CHEMBL1160793,5.17
+N=C(N)c1cccc(N2CCCCN(C3CCN(C(=O)Cc4ccccc4)CC3)C2=O)c1,CHEMBL102578,4.93
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4N)CC3)C2=O)c1,CHEMBL1160791,5.62
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160792,6.3
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)c1,CHEMBL103993,6.3
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4cccc(N)c4)CC3)C2=O)c1,CHEMBL1160518,5.66
+N=C(N)c1ccc(NC(=O)c2ccccc2O)cc1,CHEMBL64708,4.66
+Cc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1O,CHEMBL412448,5.1
+N=C(N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,CHEMBL292977,4.64
+Cc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62491,4.85
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,CHEMBL64654,4.37
+Cc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL64096,5.0
+CCOc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL417409,4.47
+COc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62255,4.92
+Cc1cc(Br)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL61327,6.55
+N=C(N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1,CHEMBL303367,6.0
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL64097,6.42
+N=C(N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1,CHEMBL264760,5.02
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(F)c2)c1,CHEMBL293260,6.39
+N=C(N)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1,CHEMBL62490,4.54
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CCC1)C2,CHEMBL274152,10.08
+CCC[C@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL275110,7.44
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC(C)C)C2,CHEMBL275520,9.4
+CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL10800,9.48
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2,CHEMBL10545,9.44
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)CC2,CHEMBL273861,6.46
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CC1)C2,CHEMBL10785,9.68
+CC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL10657,8.8
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL350169,5.54
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cc[nH]cc-2n1,CHEMBL353793,5.41
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1,CHEMBL320233,6.21
+CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL104211,6.92
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL319047,6.89
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL321319,6.54
+N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1,CHEMBL103043,5.49
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL104505,6.77
+CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1,CHEMBL421214,5.96
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1,CHEMBL105395,6.44
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,CHEMBL104166,6.03
+N=C(N)c1ccc2cccc(N)c2c1,CHEMBL319264,5.28
+COc1ccc2ccc(C(=N)N)cc2c1C1CCOC1,CHEMBL320817,6.35
+COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1,CHEMBL321944,5.15
+COc1ccc2ccc(C(=N)N)cc2c1-c1ccoc1,CHEMBL104904,5.89
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1,CHEMBL92530,5.7
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1,CHEMBL415741,4.48
+COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL159162,5.52
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL346117,4.96
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1,CHEMBL158814,5.0
+N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158939,7.92
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL158405,6.98
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL156858,4.8
+CC(C)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(C(=N)N)cc2)cc(C(C)C)c1C(C)C,CHEMBL157131,4.82
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL345435,5.4
+CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL350657,4.16
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL433510,7.3
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)/C=C/c2ccccc2)cc1,CHEMBL352009,4.82
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158936,4.89
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,CHEMBL325041,4.89
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(Br)cc1,CHEMBL122765,5.17
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1,CHEMBL122916,5.72
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2ccccc2c1,CHEMBL126012,5.5
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(Oc2ccccc2)cc1,CHEMBL122854,5.04
+COc1ccc(Oc2ccc(C(C)NC(=O)CNC(=O)Nc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL332983,5.01
+Cc1cccc(C(=O)Nc2ccc(C(C)NC(=O)CNC(=O)Nc3ccc(C(=N)N)cc3)cc2)c1,CHEMBL339200,4.96
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(N2CCOCC2)c(Br)c1,CHEMBL332753,6.19
+COc1cccc(COc2ccc(C(C)NC(=O)CNC(=O)Nc3ccc(C(=N)N)cc3)cc2)c1,CHEMBL435972,5.64
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL330943,4.83
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(C(=O)Nc2ccccc2)cc1,CHEMBL122548,4.92
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1,CHEMBL421426,4.92
+COC(=O)c1cc(C(C)NC(=O)CNC(=O)Nc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1,CHEMBL122222,6.3
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(OCc2cccc(Cl)c2)cc1,CHEMBL122599,5.64
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1,CHEMBL429152,4.48
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(NC(=O)C2CC2)cc1,CHEMBL123336,4.84
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(N2CCOCC2)cc1,CHEMBL122309,5.49
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(NC(=O)C2CCNCC2)cc1,CHEMBL339880,4.16
+COCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL334170,6.81
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(CCC(C)C)Cc2ccoc2)c1,CHEMBL421243,8.15
+CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL122198,7.04
+CN(C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1)C1CCCC1,CHEMBL125782,6.43
+CCCN(Cc1ccncc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL338364,7.14
+C=CCN(C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1)C1CCCC1,CHEMBL123440,7.68
+CCCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL421096,8.1
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1,CHEMBL121892,7.96
+CCCN(CC1CCC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL125772,7.8
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccccn2)CC2CC2)c1,CHEMBL121456,7.07
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(CCCCCC(N)=O)C2CCCCC2)c1,CHEMBL122205,8.1
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)C2CCC2)c1,CHEMBL330788,7.66
+COCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL331769,7.55
+C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,CHEMBL1560,7.32
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCC(=O)O)CC2CC2)c1,CHEMBL122497,6.67
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N2CCOCC2)c1,CHEMBL123264,5.12
+CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL122029,7.19
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccncc2)CC2CC2)c1,CHEMBL125603,7.62
+CN(C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1)C1CCCCC1,CHEMBL338284,7.48
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccncc2)CC2CC2)c1,CHEMBL126096,7.28
+C=CCN(Cc1ccoc1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL123453,7.7
+Cc1cc(OCC2(CON=C(N)N)CC2)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1,CHEMBL421081,8.4
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N2CCCCCC2)c1,CHEMBL121488,6.33
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N2CCN(c3ccccn3)CC2)c1,CHEMBL332743,6.19
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2cccnc2)CC2CC2)c1,CHEMBL420912,7.33
+C=CCN(C(=O)c1cc(C)cc(OCCCON=C(N)N)c1)C1CCCCC1,CHEMBL123028,8.05
+CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CON=C(N)N)CC2)c1,CHEMBL121396,8.4
+CCN(C(=O)c1cc(C)cc(OCCCON=C(N)N)c1)C1CCCCC1,CHEMBL122144,8.22
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccccn2)CC2CC2)c1,CHEMBL334315,7.23
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)CC2CCCCC2)c1,CHEMBL121817,7.68
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(CCC(N)=O)Cc2ccoc2)c1,CHEMBL125991,6.96
+CCSCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL122696,8.22
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N2CCCCC2)c1,CHEMBL121936,6.06
+CCCN(Cc1ccccn1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL331194,7.03
+CCCN(Cc1nccs1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL125297,6.71
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1,CHEMBL124164,7.77
+CCCN(CC1CCCC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL124500,7.42
+CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL332660,7.68
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCN2CCOCC2)CC2CC2)c1,CHEMBL122687,6.8
+CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL341539,8.05
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)C(C)C)c1,CHEMBL332232,7.17
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccsc2)CC2CC2)c1,CHEMBL333182,7.51
+C=CCN(Cc1cccs1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL122285,6.83
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N2CCc3ccccc3C2)c1,CHEMBL123757,6.77
+Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2cccnc2)CC2CC2)c1,CHEMBL122162,7.47
+CCCN(Cc1cccnc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL122276,7.28
+NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCN2CCCC2)CC2CC2)c1,CHEMBL124114,6.69
+CCN(Cc1ccncc1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL123701,5.8
+COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL122553,7.42
+C=CCN(C(=O)c1cc(C)cc(OCCCON=C(N)N)c1)C1CCCC1,CHEMBL123226,8.0
+CCCN(CC1CCC1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1,CHEMBL121686,7.77
+CCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,CHEMBL339909,7.64
+C[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL436235,5.35
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL352099,5.42
+COC[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL351688,5.34
+N=C(N)c1cccc(-c2noc(N)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL352197,5.4
+N=C(N)c1cccc(-c2noc(CO)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL159757,5.72
+N=C(N)c1cccc(-c2noc(C(F)(F)F)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL351830,4.96
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(C(=N)N)c2)cc1,CHEMBL159816,6.27
+N=C(N)c1cccc(C2=NO[C@H](Cn3cnnn3)[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL347838,5.24
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cn1,CHEMBL160115,4.92
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL107955,6.31
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccncc1,CHEMBL347993,4.77
+O=C(Cn1c(C(F)(F)F)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F,CHEMBL142106,7.36
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O,CHEMBL143139,8.96
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL143138,9.57
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2cccnc2)c1=O,CHEMBL143008,9.27
+Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1,CHEMBL142153,8.32
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O,CHEMBL142546,10.0
+Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccccn1,CHEMBL143853,7.82
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O,CHEMBL143418,10.38
+COc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O,CHEMBL342994,7.82
+Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1,CHEMBL142224,8.55
+Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F,CHEMBL143824,9.0
+Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL145076,6.55
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1,CHEMBL356296,8.89
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccccn1,CHEMBL143060,6.41
+COc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1,CHEMBL342109,8.44
+Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F,CHEMBL341909,8.92
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ncccc1F,CHEMBL143879,8.17
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cccnc1,CHEMBL143880,5.92
+O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1Cl,CHEMBL142776,8.1
+Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F,CHEMBL141889,8.38
+Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1,CHEMBL142370,8.28
+Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F,CHEMBL142240,9.05
+O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F,CHEMBL142699,6.85
+N#Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F,CHEMBL143024,8.64
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)c2ccccc2)c1=O,CHEMBL142566,8.96
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccncc2)c1=O,CHEMBL143421,8.8
+Cc1ccnc(CNC(=O)Cn2c(C#N)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F,CHEMBL422299,9.4
+O=C(/N=N/c1ccccc1)NNc1ccccc1,CHEMBL79409,5.77
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,CHEMBL48361,8.29
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1Cl,CHEMBL125153,4.19
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F,CHEMBL127909,5.12
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl,CHEMBL339902,4.22
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)C3Cc4ccccc4CN3)CC(=O)N21)C(=O)c1nccs1,CHEMBL108237,7.49
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC(=O)N21)C(=O)c1nccs1,CHEMBL111646,9.97
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)COc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL321167,7.8
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)OCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL322307,7.3
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL322124,7.24
+Cc1ccc(CCC(=O)N2CC(=O)N3[C@@H](CC[C@H]3C(=O)NC(CCCNC(=N)N)C(=O)c3nccs3)C2)cc1,CHEMBL107507,9.3
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3cccc4ccccc34)CC(=O)N21)C(=O)c1nccs1,CHEMBL431820,9.46
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc4ccccc4c3)CC(=O)N21)C(=O)c1nccs1,CHEMBL108488,9.3
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3F)CC(=O)N21)C(=O)c1nccs1,CHEMBL107762,9.04
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL108691,9.22
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCC3CCCCC3)CC(=O)N21)C(=O)c1nccs1,CHEMBL111043,7.62
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL323466,7.77
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL321624,8.92
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL111641,7.6
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccn3)CC(=O)N21)C(=O)c1nccs1,CHEMBL432209,8.52
+COc1ccc(CCC(=O)N2CC(=O)N3[C@@H](CC[C@H]3C(=O)NC(CCCNC(=N)N)C(=O)c3nccs3)C2)cc1,CHEMBL108451,9.3
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H](N)Cc3ccc(F)cc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL316551,8.52
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H](O)Cc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL322344,8.36
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)Cc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL321013,8.6
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3C(F)(F)F)CC(=O)N21)C(=O)c1nccs1,CHEMBL109883,9.3
+N=C(N)NCCCC(NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL109456,8.3
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)c1,CHEMBL20672,5.8
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)OCCC2CCN(C(=N)N)CC2)c2ccccc2)c1,CHEMBL20733,5.1
+CC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL106709,6.05
+N=C(N)c1cccc(N(CCCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CCOc2ccccc2)c1,CHEMBL320452,6.52
+N=C(N)c1cccc(N(CCCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(=O)O)c1,CHEMBL107097,5.85
+COC(=O)CN(CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL105121,6.4
+CC(C)OC(=O)CN(c1cccc(C(=N)N)c1)S(=O)(=O)CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL323381,4.82
+N=C(N)c1cccc(N(CCO)CCCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL106567,5.74
+COC(=O)CN(CCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL320269,6.7
+N=C(N)c1cccc(N(CCCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(N)=O)c1,CHEMBL324901,5.46
+COCCN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL321733,6.05
+COC(=O)CN(c1cccc(C(=N)N)c1)S(=O)(=O)CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL325101,5.05
+COC(=O)CN(CCCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL106743,6.22
+CC(C)OC(=O)CN(CCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL320934,6.52
+COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL18767,6.7
+N=C(N)c1cccc(NCCCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL322073,5.21
+N=C(N)c1cccc(NS(=O)(=O)CCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL321452,4.77
+CC(C)OC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL317471,6.3
+CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1ccc2ccccc2c1,CHEMBL193745,6.31
+CN1CCN(CCCN(Cc2ccc3ccc(C(=N)N)cc3c2)C(=O)c2cccc3ccccc23)CC1,CHEMBL371051,6.3
+COc1ccc(CCN(Cc2ccc3ccc(C(=N)N)cc3c2)C(=O)c2cccc3ccccc23)cc1OC,CHEMBL380813,5.6
+N=C(N)c1ccc2ccc(CN(CCc3ccc(F)cc3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL372847,5.77
+N=C(N)c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL195032,5.32
+N=C(N)c1ccc2ccc(CN(CCCc3ccccc3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL195238,5.92
+CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,CHEMBL382064,5.93
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21,CHEMBL190075,9.31
+NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21,CHEMBL193188,8.51
+CC(=O)NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21,CHEMBL193781,6.26
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL191062,9.26
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ncccc21,CHEMBL192268,8.98
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2c1ccc[n+]2[O-],CHEMBL190491,8.58
+CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL361432,8.3
+CC(C)(C1CC1)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL182124,8.43
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CO,CHEMBL181550,9.3
+C[C@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1,CHEMBL182320,8.33
+C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1,CHEMBL362206,8.57
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1ccccc1,CHEMBL184580,9.05
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccccc1,CHEMBL182826,7.1
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1,CHEMBL361593,9.57
+CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL360269,8.25
+CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL182997,8.75
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1,CHEMBL181849,5.04
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182746,5.56
+O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Nc2ccncc2)CC1,CHEMBL440755,5.5
+O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL180695,5.09
+COc1cc(CNc2ccc(C(=N)N)cc2)c(NS(C)(=O)=O)cc1OCc1ccccc1,CHEMBL180105,5.85
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1,CHEMBL180104,5.77
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1OCc1ccccc1,CHEMBL178616,7.46
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1,CHEMBL178134,6.27
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(C(=O)Cc2ccccc2)cc1OCc1ccccc1,CHEMBL366921,5.19
+COc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC,CHEMBL179983,6.34
+CCOc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OCC,CHEMBL360313,6.24
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL179270,7.37
+CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL180857,7.32
+CCOc1ccc(CNc2ccc(C(=N)N)cc2)cc1OCC,CHEMBL181265,5.35
+COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1,CHEMBL179938,6.57
+N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1ccccc1,CHEMBL196455,6.82
+O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1ccccc1-n1cncn1,CHEMBL193502,8.59
+O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1ncccc1-n1cncn1,CHEMBL370050,8.6
+N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1ncccc1-n1cncn1,CHEMBL194120,9.64
+NCc1ccccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-],CHEMBL373270,9.4
+[O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(Cl)c1CC(O)NCc1cccc(Cl)c1,CHEMBL195776,9.38
+N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(O)NCc1cccc(Cl)c1,CHEMBL195960,10.1
+O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1cc(Cl)ccc1-n1cncn1,CHEMBL196035,10.3
+O=C(Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1cc(Cl)ccc1-n1cncn1,CHEMBL197141,8.82
+O=C(Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL372367,9.85
+NCc1ccc(Cl)cc1CNC(=O)Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1[O-],CHEMBL195366,10.4
+Nc1ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)[n+]1[O-],CHEMBL195461,6.85
+N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL193500,7.74
+NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(N)[n+]1[O-],CHEMBL194060,7.59
+N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1CN,CHEMBL196178,8.0
+C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1CN,CHEMBL197504,6.59
+C[C@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1CN,CHEMBL193688,8.49
+C[C@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-],CHEMBL193814,7.7
+C[C@@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-],CHEMBL197464,9.35
+NCc1ccc(Cl)cc1C(CO)NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-],CHEMBL195313,9.32
+O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1ncccc1F,CHEMBL366233,8.22
+N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1ncccc1F,CHEMBL371309,8.82
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,CHEMBL425512,5.64
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccncc4S(N)(=O)=O)cc3F)cc12,CHEMBL368285,6.13
+Cn1ccnc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL179964,7.47
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12,CHEMBL359695,5.1
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(N4CCOCC4)cc3F)cc12,CHEMBL175779,4.7
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(C#N)c1,CHEMBL179410,6.05
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL445391,5.96
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(-n2ccnc2C)c1,CHEMBL368927,6.1
+COc1cc(-n2ccnc2C)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL179213,6.7
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL175449,6.05
+CCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL176494,6.05
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CO)cc3F)cc12,CHEMBL426957,5.77
+NCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL361846,5.46
+CNCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL367954,5.77
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CN4CCCC4)cc3F)cc12,CHEMBL179665,6.22
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL554926,5.2
+CC(C)c1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL355576,6.05
+N=C(N)c1ccc2scc(C3(C(=O)Nc4ccc(-n5cnc6ccccc65)cc4)CC3)c2c1,CHEMBL185330,6.41
+N=C(N)c1ccc2scc(C(CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1,CHEMBL184896,5.38
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL361607,6.22
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL360894,4.89
+N=C(N)c1ccc2scc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL360550,5.38
+N=C(N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL362184,5.38
+CN[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1)C(C)C,CHEMBL176063,7.68
+CN[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL361822,9.47
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL175464,7.77
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL176143,5.68
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)c1nc2ccccc2s1,CHEMBL366687,5.85
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(C(=N)N)c1)C(=O)c1nc2ccccc2s1,CHEMBL366688,9.0
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(C(=N)N)c1)C(=O)c1nc2ccccc2s1,CHEMBL179735,7.82
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCN(C(=N)N)C1)C(=O)c1nc2ccccc2s1,CHEMBL366625,8.8
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCN(C(=N)N)C1)C(=O)c1nc2ccccc2s1,CHEMBL2096761,7.0
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C(=N)N)C1)C(=O)c1nc2ccccc2s1,CHEMBL425855,6.42
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1,CHEMBL369868,7.42
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)c1nc2ccccc2s1,CHEMBL176161,6.68
+CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1,CHEMBL180163,5.43
+CNCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1,CHEMBL179207,5.46
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2s1)[C@H]1CC[C@H](CN)CC1,CHEMBL3084979,6.04
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)c1nc2ccccc2s1)C1CCC(CN)CC1,CHEMBL2374242,5.84
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1,CHEMBL179189,5.41
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1,CHEMBL179004,5.15
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1cc2ccccc2s1,CHEMBL180112,5.62
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2[nH]1,CHEMBL414655,8.02
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2n1C,CHEMBL368900,8.09
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+C#Cc1cc(O[C@@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL381222,5.06
+CCOc1cc(O[C@@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL371900,4.95
+C#Cc1cc(O[C@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198844,5.02
+CCOc1cc(O[C@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198843,5.07
+CCOc1cc(OC2CCN(C)CC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199211,5.0
+CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL383382,5.26
+C#Cc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL382278,5.33
+C=Cc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198533,5.54
+CCc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198637,5.8
+CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1,CHEMBL198631,7.07
+Cc1cc2cc(N/C(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)C(C#N)C(=O)OCCCCO)ccc2o1,CHEMBL198629,5.2
+Cc1nc[nH]c1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL414853,7.66
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL265363,6.42
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL200960,8.19
+Cc1nc[nH]c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL200959,7.28
+Cc1nc(N)sc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL371650,8.0
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC/C=C/c1cnc(N)s1,CHEMBL200504,5.74
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCCCc1cnc(N)s1,CHEMBL200520,6.35
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)s1,CHEMBL200920,5.96
+Cc1nc[nH]c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL373260,8.1
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC/C=C/c1cnc[nH]1,CHEMBL200593,6.84
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCCCc1cnc[nH]1,CHEMBL200857,7.47
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc[nH]1,CHEMBL200110,6.77
+Nc1ncc(/C=C/CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1,CHEMBL199609,7.52
+Nc1ncc(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1,CHEMBL199696,6.7
+Cc1nc[nH]c1/C=C/CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,CHEMBL200153,9.0
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC/C=C/c1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL200573,8.7
+Cc1nc[nH]c1C#CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,CHEMBL200134,8.22
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL371769,7.77
+Nc1ncc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1,CHEMBL200674,6.71
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL381205,6.7
+Cc1nc[nH]c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,CHEMBL370557,7.19
+Nc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1,CHEMBL199675,6.46
+N=C(N)c1ccc2nc(-c3c[nH]cn3)[nH]c2c1,CHEMBL202433,5.96
+N=C(N)c1ccc2nc(Cc3ccccn3)[nH]c2c1,CHEMBL204126,4.98
+N=C(N)c1ccc2nc(-c3nc4ccccc4[nH]3)[nH]c2c1,CHEMBL202010,6.49
+CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL381949,6.52
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCCC4)cc3F)cc12,CHEMBL379036,6.6
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3F)cc12,CHEMBL436766,6.4
+Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2n1,CHEMBL377956,4.36
+CCOP(=O)(F)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL377737,5.1
+NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1,CHEMBL377651,5.97
+N=C(N)c1ccc2nc(-c3cccc(-c4cc(CNC(N)=O)ccc4O)c3O)[nH]c2c1,CHEMBL378916,4.05
+NC(=O)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1,CHEMBL209022,4.15
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,CHEMBL211561,4.19
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL379068,5.4
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL437307,4.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212577,5.15
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212014,4.68
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL379194,4.57
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL378657,5.22
+N=C(N)NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c1,CHEMBL378192,5.4
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)CCN)cc2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211401,5.06
+N=C(N)NCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)cc1,CHEMBL380221,5.74
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1,CHEMBL380220,6.57
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1,CHEMBL378643,7.0
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL209794,6.68
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL379357,5.74
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1,CHEMBL210189,4.92
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL211659,6.77
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL210815,6.22
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL377627,6.52
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL378830,7.29
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL212310,6.72
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211939,6.68
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL210771,6.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(=N)N)CC2)c1,CHEMBL211209,5.77
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCNCC2)c1,CHEMBL209586,6.77
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=N)N)CC2)c(C(C)C)c1,CHEMBL211754,4.89
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL212538,5.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N2CCC(C(=O)NCCN)CC2)c1,CHEMBL3706845,6.38
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212031,4.7
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL438959,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL211367,5.89
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL379586,5.3
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL379186,5.27
+Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C)c2c1OC(C)(C)C2,CHEMBL211794,5.52
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)CCc2cccc3ccccc23)CC1,CHEMBL211549,5.82
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL209334,5.59
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL426501,5.6
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL379958,6.24
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL212271,5.85
+CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)cc1,CHEMBL379957,6.59
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL208586,5.3
+CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706844,7.27
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCN)CC2)c(C(C)C)c1,CHEMBL377763,4.8
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL211086,6.92
+N=C(N)NCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706846,6.38
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)CC1,CHEMBL379075,6.34
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706847,5.74
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL209963,6.31
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL209910,6.21
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CN)CC2)c(C(C)C)c1,CHEMBL209841,6.7
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210386,5.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCN)CC2)c(C(C)C)c1,CHEMBL379960,5.03
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212209,5.38
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL212616,5.48
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210244,5.8
+COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL385140,5.96
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(=O)c32)cc1,CHEMBL213352,5.74
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL384526,5.8
+N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@H](NCC(=O)O)C3CCCCC3)Cc3ccccc3C2)cc1,CHEMBL215295,4.72
+NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,CHEMBL213927,4.32
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,CHEMBL214368,4.22
+CN1CCN(Cc2ccccc2-c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc6onc(N)c6c5)c4C3=O)cc2)CC1,CHEMBL265087,6.64
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCNCC5)cc3)CC4)cc12,CHEMBL212202,6.55
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCOCC5)cc3)CC4)cc12,CHEMBL428982,6.89
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCC(O)CC5)cc3)CC4)cc12,CHEMBL213888,7.15
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@H](O)C5)cc3)CC4)cc12,CHEMBL378222,7.23
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3)CC4)cc12,CHEMBL378093,7.46
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCCC5)cc3)CC4)cc12,CHEMBL378092,7.24
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL211410,7.37
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1,CHEMBL436791,7.12
+CCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL386294,7.01
+CCN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL213252,7.24
+CNCc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL209376,6.82
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3F)CC4)cc12,CHEMBL263767,7.14
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN(C)C)cc1)C2=O,CHEMBL385679,6.42
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL380405,6.89
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCCC3)cc1)C2=O,CHEMBL379588,6.92
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1F)C2=O,CHEMBL379397,6.6
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN(C)C)cc3)c(C)nc12,CHEMBL213865,6.52
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3)c(C)nc12,CHEMBL386463,6.61
+Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2CN(C)C)cc1,CHEMBL438647,6.89
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3)CN4)cc12,CHEMBL384129,6.89
+O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)[C@@H](O)Cc1ccccc1,CHEMBL213180,4.0
+Nc1nccc2[nH]c(-c3cccc(-c4cccc(CNC(=O)[C@@H](O)Cc5ccccc5)c4)c3O)cc12,CHEMBL212401,4.0
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(C(N)=O)c4)c3C2=O)cc1,CHEMBL222079,6.11
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1,CHEMBL437353,5.64
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCCN)CC1,CHEMBL387841,5.72
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCOCCOCCN)CC1,CHEMBL389509,4.94
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCN(C(=O)CCCCCCCCCCCN)CC1,CHEMBL227498,5.1
+Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCN(C(=O)CCCCCCCCCCCN)CC2)c1,CHEMBL227247,5.43
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)CCCCCCCCCCCN)CC1,CHEMBL390753,5.6
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCN(CCCCCCCCCCCCN)CC1,CHEMBL390752,5.28
+Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCN(CCCCCCCCCCCCN)CC2)c1,CHEMBL227761,6.0
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCCCCCCCCCCCN)CC1,CHEMBL390751,5.14
+CC(=O)N1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCCC3)CC1,CHEMBL388819,5.92
+CC(=O)N1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL227902,6.0
+CC(=O)N1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc(C)c2)CC1,CHEMBL227849,5.36
+CC(=O)N1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CHEMBL228241,5.6
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCNCC1,CHEMBL227246,5.19
+Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCNCC2)c1,CHEMBL228012,5.27
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCNCC1,CHEMBL227794,5.25
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCOCC1,CHEMBL227136,6.4
+Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCOCC2)c1,CHEMBL227555,5.82
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1,CHEMBL227412,6.05
+N=C(N)NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCCC1,CHEMBL227406,6.15
+Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCCCC2)c1,CHEMBL437921,6.05
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL395719,5.57
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NCC(=O)O,CHEMBL395970,8.49
+CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL230360,8.44
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(=O)O,CHEMBL394517,8.46
+CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL390403,8.42
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)O,CHEMBL390402,7.76
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1,CHEMBL229036,8.05
+CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228341,8.11
+CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228340,8.31
+COC(=O)C(=O)N[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL427464,7.75
+COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228285,7.72
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)CC(=O)O,CHEMBL389960,8.11
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL396286,9.25
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CCC(=O)O)NC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL228612,4.7
+CON(C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)[C@@H](CCC(=O)O)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL397895,6.74
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL396058,6.07
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)C(CCc1ccccn1)NS(=O)(=O)Cc1ccccc1,CHEMBL228984,6.6
+C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228983,6.77
+C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL230134,7.62
+CCOC(=O)CC(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL230024,4.4
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)C(=O)O,CHEMBL231595,4.74
+COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL395773,5.19
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)CC(=O)O,CHEMBL231494,5.08
+CC(C)OC(=O)CS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL231393,6.28
+CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL231292,5.57
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccc(CC(=O)O)cc1,CHEMBL388481,6.03
+COC(=O)Cc1ccc(CS(=O)(=O)NC(CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2CN)cc1,CHEMBL442228,6.0
+NCc1ccccc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL231087,4.4
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL397921,6.77
+O=C(CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1cc(Cl)ccc1Cl,CHEMBL397679,5.12
+O=C(CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1cccc(Cl)c1,CHEMBL230981,5.0
+Nc1ccc(CNC(=O)CNC(=O)C(CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cn1,CHEMBL230879,4.06
+CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL227121,6.06
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncc[nH]2)c1Cl,CHEMBL389210,6.07
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2NC(C)C)c1Cl,CHEMBL387656,5.92
+CCNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL226879,5.96
+CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL427421,6.0
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2N)c1Cl,CHEMBL390969,5.46
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2C)c1Cl,CHEMBL226827,6.36
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2)c1Cl,CHEMBL226826,6.29
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=N)N)c1Cl,CHEMBL437546,6.2
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(C)=N)c1Cl,CHEMBL226825,6.04
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2C=NCC2)c1Cl,CHEMBL226776,5.48
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2C)c1Cl,CHEMBL450012,5.48
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2SC)c1Cl,CHEMBL226775,5.66
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC(=O)NC2=N)c1Cl,CHEMBL389638,6.47
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2N)c1Cl,CHEMBL226722,5.82
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCSC2=N)c1Cl,CHEMBL449703,5.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOC2=N)c1Cl,CHEMBL226721,5.96
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCC2)c1Cl,CHEMBL387857,6.01
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncco2)c1Cl,CHEMBL226669,7.22
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCS2)c1Cl,CHEMBL449702,7.0
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NC(=O)CO2)c1Cl,CHEMBL226668,7.05
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCCO2)c1Cl,CHEMBL387856,6.8
+CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NC(C)CO1,CHEMBL226616,6.24
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCC(C)O2)c1Cl,CHEMBL226615,6.39
+COCCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1,CHEMBL425311,5.7
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C2=NCCO2)C(C)(C)C)c1Cl,CHEMBL427276,5.77
+CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1,CHEMBL226564,6.33
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCO2)c1Cl,CHEMBL173994,7.05
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCC(=O)O)c1Cl,CHEMBL390055,6.2
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCN2CCCC2)c1Cl,CHEMBL227360,6.85
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCO)c1Cl,CHEMBL227359,6.44
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=O)c1Cl,CHEMBL227308,6.47
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)S(C)(=O)=O)c1Cl,CHEMBL227307,6.47
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCN2CCCC2)c1Cl,CHEMBL441880,6.72
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCN(C)C)c1Cl,CHEMBL376791,6.52
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(O)CO)c1Cl,CHEMBL227250,5.92
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)(C)O)c1Cl,CHEMBL227249,5.96
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)O)c1Cl,CHEMBL227248,5.68
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl,CHEMBL376790,5.96
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCO)c1Cl,CHEMBL227197,5.85
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCC(O)CC2)c1Cl,CHEMBL227196,6.11
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCCC2)c1Cl,CHEMBL227195,5.85
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOCC2)c1Cl,CHEMBL375264,5.85
+CCN(CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227146,5.82
+CCN(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL375263,5.77
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl,CHEMBL227145,5.27
+CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227223,5.59
+CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227222,5.43
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl,CHEMBL227221,5.82
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl,CHEMBL227172,5.89
+CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1,CHEMBL227171,6.17
+CCNC(=O)N(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL226931,6.35
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(COCC(O)CO)c1Cl,CHEMBL241920,5.62
+COCCOCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244048,5.44
+CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244047,6.25
+CS(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL243841,6.01
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2nccn2)c1Cl,CHEMBL242765,5.48
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2ccnn2)c1Cl,CHEMBL396210,5.57
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2cncn2)c1Cl,CHEMBL242122,5.62
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2cccn2)c1Cl,CHEMBL242121,6.26
+CN1CCC(N(C)Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL242328,6.51
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CNCCCn2ccnc2)c1Cl,CHEMBL429098,5.74
+CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL242327,6.8
+CN(C)CCCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244046,6.72
+CCN(CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL428218,6.92
+CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL390690,6.8
+CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL395777,5.96
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CNCCOCCO)c1Cl,CHEMBL243184,5.49
+CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)CC(O)CO,CHEMBL243182,6.0
+CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL396782,6.08
+CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL243612,5.64
+CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL242743,5.36
+CCCN1CC2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)C2C1,CHEMBL242525,5.49
+CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC,CHEMBL441319,5.82
+Cc1c(CN2CCN(C)CC2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL436818,5.82
+Cc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CCN(C)CC1,CHEMBL428920,5.36
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(Cn2ccnc2)cc1Cl,CHEMBL395754,6.29
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2ccnc2)c1Cl,CHEMBL242091,6.0
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CN2CCOCC2)c1Cl,CHEMBL245100,5.64
+CN1CCN(Cc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)s2)CC1,CHEMBL395729,6.0
+CN1CCN(Cc2c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc3ccccc23)CC1,CHEMBL244665,6.0
+CN(C)Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)sc2ccccc12,CHEMBL397661,5.92
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233992,5.12
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1,CHEMBL399593,5.05
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(C2(CN3CCCC3)CC2)cc1,CHEMBL450578,5.44
+CCS(=O)(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL392297,5.4
+CCOC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL437555,5.4
+CC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL394129,5.26
+COc1ccc(-n2nc(Cn3cncn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395371,5.72
+COc1ccc(-n2nc(Cn3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395372,6.01
+COc1ccc(-n2nc(Cn3ncnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395373,6.0
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL221296,6.48
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL237242,6.01
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL264106,6.74
+COc1ccc(-n2nc(NC(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL238301,5.34
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL393393,7.0
+COc1ccc(-n2nc(C(=O)N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235492,4.96
+CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL235268,5.15
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235265,6.85
+COc1ccc(-n2nc(N(C)C(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL391787,6.02
+COc1ccc(-n2nc(N)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL236752,5.03
+COc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395142,6.01
+COc1ccc(-n2nc(Cn3ccnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL439214,4.92
+COc1ccc(-n2nc(-c3nn[nH]n3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL396088,4.92
+COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235064,5.74
+CNc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL399822,5.32
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1,CHEMBL235907,5.48
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,CHEMBL392526,5.36
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1,CHEMBL235906,5.41
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1,CHEMBL235710,5.6
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,CHEMBL231779,5.51
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1,CHEMBL392460,5.92
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O,CHEMBL220050,6.44
+C/C(=C\S(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)c1ccc(Cl)s1,CHEMBL391640,8.7
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O,CHEMBL391737,7.77
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F,CHEMBL401842,7.33
+Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])c1F,CHEMBL250651,9.05
+Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F,CHEMBL250466,9.15
+Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,CHEMBL399868,8.55
+Cc1cc(N)nc(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F,CHEMBL250465,8.48
+Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F,CHEMBL399662,7.99
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3cccnc3)CC2)c1F,CHEMBL250464,6.85
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3ccccn3)CC2)c1F,CHEMBL428413,7.24
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F,CHEMBL250650,8.74
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cnc3ccccc3c2)c1F,CHEMBL250649,6.77
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)c1F,CHEMBL250463,8.07
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,CHEMBL250461,8.51
+CC(C)(CNc1ccc(Cl)c(CC(=O)NCCON=C(N)N)c1F)c1cccnc1,CHEMBL250275,6.89
+CC(C)(CNc1ccc(Cl)c(CC(=O)NCCON=C(N)N)c1F)c1ccccn1,CHEMBL250274,7.24
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NS(=O)(=O)c2ccccc2)c1F,CHEMBL250646,5.89
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cnccc23)c1F,CHEMBL250460,8.33
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cccnc23)c1F,CHEMBL250273,8.57
+NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccnc2)c1F,CHEMBL250271,7.47
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5CN5CCCC5)ccc43)cc12,CHEMBL399331,4.82
+CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL248725,4.72
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-n4ccccc4=O)cc3F)cc12,CHEMBL252454,6.46
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4CN4CCCC4)cc3)cc12,CHEMBL252453,6.51
+CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL442292,6.46
+Cc1ncn(CC(=O)NCC2CC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL270861,8.96
+CCC(C)(C)NC(=O)Cn1cnc(C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL270649,9.72
+Cc1ncn(CC(=O)NCC(F)(F)F)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL270650,9.08
+Cc1ncn(CC(=O)NN2CCOCC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL257507,8.72
+Cc1ncn(CC(=O)NN2CC(O)C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL402724,8.55
+Cc1ncn(CC(=O)NCCO)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL271675,8.62
+Cc1ncn(CC(=O)NCCN)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL270252,9.05
+Cc1ncn(CC(=O)NN2CCCCC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL409921,9.19
+Cc1ncn(CC(=O)NC2CCCNC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL402095,9.51
+Cc1ncn(CC(=O)NC(C)(C)CN)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL271649,9.52
+Cc1ncn(CC(=O)NC2CC(N)C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL402854,8.52
+Cc1ncn(CC(=O)NCC(C)(C)N)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL258066,9.17
+Cc1ncn(CC(=O)OC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL258286,9.32
+Cc1ncn(CC(=O)NC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL401682,9.44
+CCNC(=O)Cn1cnc(C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL270357,8.7
+Cc1ncn(CC(=O)NC2CC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL256450,8.74
+Cc1ncn(CC(=O)NC2CCCNC2)c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL273026,8.92
+Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1,CHEMBL261646,5.12
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1,CHEMBL270225,9.19
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL256253,9.7
+CCOC(=O)c1csc(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC)n1,CHEMBL270206,8.35
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(C(=O)OC)cc2s1,CHEMBL272334,8.89
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(F)cc2s1,CHEMBL404042,9.82
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(OC)cc2s1,CHEMBL404043,9.85
+Cc1cccc(C(C)(C)CN(CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL270652,6.4
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1,CHEMBL403735,8.96
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@H](N)Cc3cc4ccccc4[nH]3)CC(=O)N21)C(=O)c1nccs1,CHEMBL438351,9.0
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3)CC(=O)N21)C(=O)c1nccs1,CHEMBL258108,8.3
+N[C@H]1CC[C@@H]([C@H](NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)CC1,CHEMBL256631,9.15
+C[C@]12C[C@@H](Cc3ccccc3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL256025,7.74
+COC(=O)n1nnnc1C(=O)[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@@H](N)CC1,CHEMBL256028,5.59
+Cn1nnnc1C(=O)[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@@H](N)CC1,CHEMBL256027,8.3
+Cc1nc(C(=O)[C@@H](NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)[C@H]2CC[C@@H](N)CC2)sc1C(=O)O,CHEMBL271046,7.1
+N[C@H]1CC[C@@H]([C@H](NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1,CHEMBL401696,8.49
+N=C(N)N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2Cl)C(=O)c2nccs2)C1,CHEMBL402378,8.92
+N=C(N)N1CCC[C@@H](C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1,CHEMBL270837,6.3
+C[C@]12C[C@@H](Cc3ccc4nc(C(F)(F)F)ccc4c3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL256393,8.0
+C[C@]12C[C@@H](Cc3ccc4nc(C(F)(F)F)ccc4c3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc3ccccc3s1)CS2,CHEMBL255973,7.74
+C[C@]12C[C@@H](Cc3ccccc3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1)CS2,CHEMBL269971,7.8
+O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3nc(CO)cn23)CC1,CHEMBL259603,6.02
+N#Cc1ccc(NCC(F)(F)c2ccccc2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL404025,8.64
+Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)c1,CHEMBL256941,8.4
+N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc2c(N)noc2c1,CHEMBL256091,7.72
+N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ncccc1F,CHEMBL250551,7.48
+Cc1nc(N)ccc1CNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F,CHEMBL258018,9.11
+N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc(N)nc1,CHEMBL255916,7.96
+CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(=N)N,CHEMBL258225,8.05
+N#Cc1ccc(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])c(F)c1CC(=O)NCCON=C(N)N,CHEMBL254759,9.18
+N#Cc1ccc(NCC(F)(F)c2cccc[n+]2[O-])c(F)c1CC(=O)NCCON=C(N)N,CHEMBL401655,8.89
+CS(=O)(=O)c1ccccc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCON=C(N)N)c1F,CHEMBL254962,9.19
+N#Cc1ccc(NCC(F)(F)c2ccc(F)c(F)c2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL403310,8.74
+N#Cc1ccc(NCC(F)(F)c2cccc(F)c2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL258198,8.49
+N#Cc1ccc(NCC(F)(F)c2cccc(Cl)c2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL403359,8.77
+N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL254353,9.42
+N#Cc1ccc(NCC(F)(F)c2ccc(Cl)cn2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL254557,9.24
+Cc1cccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCON=C(N)N)c2F)n1,CHEMBL402758,9.1
+Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCON=C(N)N)c2F)nc1,CHEMBL254784,8.92
+Cc1ccnc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCON=C(N)N)c2F)c1,CHEMBL254786,8.54
+Cc1cccnc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCON=C(N)N)c1F,CHEMBL254785,8.0
+N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCCON=C(N)N,CHEMBL257543,8.92
+COC(COS(=O)(=O)O)C(=O)NC(C(=O)N1C(C(=O)NCCC2=CCN(C(=N)N)C2)CC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)CC21)C(C)C,CHEMBL455257,6.77
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+N=C(N)c1ccc([C@H]2C3C(=O)N(Cc4ccccc4)C(=O)C3C3CCCN32)cc1,CHEMBL480133,6.51
+N=C(N)c1ccc([C@H]2C3C(=O)N(Cc4ccc(F)cc4)C(=O)C3C3CCCN32)cc1,CHEMBL480315,7.24
+N=C(N)c1ccc([C@H]2C3C(=O)N(Cc4cccc(F)c4)C(=O)C3C3CCCN32)cc1,CHEMBL479743,6.44
+N=C(N)c1ccc([C@H]2C3C(=O)N(Cc4ccccc4F)C(=O)C3C3CCCN32)cc1,CHEMBL479742,6.3
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1,CHEMBL461297,6.72
+CC(=N)N1CCC(c2ccc(NC(=O)CN(Cc3cccc(OCC(=O)O)c3)c3cccc(C(=N)N)c3)cc2)CC1,CHEMBL463385,4.59
+CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(OCC(=O)O)c1,CHEMBL463179,4.24
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)CC,CHEMBL498660,6.3
+CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL498339,6.12
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)O,CHEMBL524462,5.47
+CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL526453,7.26
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)CC,CHEMBL523575,6.66
+C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL498676,5.47
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)O,CHEMBL498675,4.87
+CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL497307,6.82
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL527117,5.41
+CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506769,4.6
+C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506502,4.34
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(C(=O)O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506501,6.17
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506240,5.24
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+CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL511597,5.43
+CN1C(=O)C(OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)Nc3ccccc3)ccc21,CHEMBL461629,4.62
+CN1C(=O)C(OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)N(CC(=O)O)c3ccccc3)ccc21,CHEMBL461417,5.75
+CCOC(=O)CN(C(=O)c1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL461192,5.4
+CCOC(=O)C(C(=O)Nc1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL461191,5.0
+CN1C(=O)C(OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)N[C@@H](CC(=O)O)c3ccccc3)ccc21,CHEMBL462037,4.83
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)CCC(=O)O)ccc21,CHEMBL493094,5.29
+CCOC(=O)CCC(=O)Nc1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL494715,4.77
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)c3ccccc3)ccc21,CHEMBL494514,5.3
+CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL494513,5.31
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)C(Cc3ccccc3)C(=O)O)ccc21,CHEMBL517551,5.26
+COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL459524,5.54
+CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL459318,6.81
+CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL468464,7.6
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL512630,6.17
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CCC(=O)O)ccc21,CHEMBL517269,6.31
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL513670,7.22
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccccc3)C(=O)C(=O)O)cc21,CHEMBL459941,6.135
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL461210,6.575
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21,CHEMBL460355,6.57
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL460144,7.17
+CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL460143,5.945
+CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL517875,6.455
+N=C(N)NCCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CC[C@H](CNC(=N)N)CC1)C(N)=O,CHEMBL2368546,8.52
+CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1,CHEMBL479863,5.6
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468642,8.44
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)C(Cc3ccccc3)C(=O)O)ccc21,CHEMBL466530,5.53
+COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL466529,5.56
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CCC(=O)O)ccc21,CHEMBL511761,8.19
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468340,8.24
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CC(=O)O)ccc21,CHEMBL468143,8.59
+COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468812,8.47
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21,CHEMBL513003,7.96
+Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,CHEMBL487105,5.21
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468270,6.34
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL512118,5.66
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461870,5.29
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCO)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513339,5.26
+CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461440,5.72
+CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461441,5.92
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461655,7.25
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513818,7.96
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL466588,7.29
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL516786,8.0
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460378,7.4
+CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL518179,6.35
+CC(C)Oc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL499200,6.62
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC,CHEMBL453766,5.96
+CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460810,7.48
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468894,6.8
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccnc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468895,6.82
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL499274,6.72
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461016,6.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL469090,6.28
+Cc1nccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)n1,CHEMBL513007,6.51
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(CN)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL466585,5.01
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(=O)O)CC2)c1,CHEMBL495143,4.85
+COC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL498875,6.22
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL444411,6.07
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1,CHEMBL492342,6.17
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1,CHEMBL507322,5.85
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(N)=O)CC2)c1,CHEMBL493116,5.9
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL445195,6.46
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC(C(N)=O)C2)c1,CHEMBL493936,5.68
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCCC2)c1,CHEMBL493117,6.57
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCNCC2)c1,CHEMBL493118,4.14
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL493520,6.96
+CNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL443990,4.54
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL523865,5.29
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,CHEMBL506479,4.84
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,CHEMBL494128,5.64
+CC1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL493140,6.4
+COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492333,4.62
+COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492334,4.97
+O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)cc1,CHEMBL560319,5.55
+CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)CC1,CHEMBL551862,5.07
+O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)s1,CHEMBL549979,5.23
+CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)s4)n3)CC2)CC1,CHEMBL562180,4.82
+Cc1cc2cc(/N=C(/NC#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,CHEMBL551991,5.18
+Cc1cc2cc(N/C(=N\C(=O)c3ccc(C(=O)N(C)C)nc3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,CHEMBL570867,5.64
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL566340,4.64
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1CCN(C(=N)N)CC1,CHEMBL568067,4.3
+Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,CHEMBL593461,5.72
+O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1,CHEMBL593482,5.11
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3nnc(N)[nH]3)c2)c(F)c1,CHEMBL591726,5.31
+O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CC1CCCC1,CHEMBL598417,4.14
+O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CC1CCCCC1,CHEMBL605210,4.46
+O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCC1,CHEMBL608429,4.03
+O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCCC1,CHEMBL610502,4.53
+NCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL597797,5.09
+C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL597798,4.43
+CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL596780,5.03
+CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL596781,5.45
+CC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL603261,6.04
+CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL599647,6.27
+CC(C)(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL599648,6.39
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C1CCCC1,CHEMBL599649,6.37
+N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL606184,7.0
+CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL605289,4.25
+CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL599036,4.63
+CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL598213,5.27
+CC(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL603544,5.44
+CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL604301,6.03
+CCC(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL597809,5.89
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC2CCCC2)cc1,CHEMBL597810,5.79
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC2CCCCC2)cc1,CHEMBL604386,5.635
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCC2)cc1,CHEMBL609619,5.93
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1,CHEMBL596999,5.93
+C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL589492,6.035
+CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL597202,6.777
+CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL599865,7.275
+CC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL601043,6.82
+CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL599866,7.7
+CC(C)(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL603267,7.96
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C2CCCCC2)cc1,CHEMBL598849,7.82
+N#Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1084908,8.64
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083499,8.89
+Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083500,7.89
+Cc1cnc(NCCc2ccc(F)c(F)c2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083501,7.33
+Cc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083189,7.82
+Cc1cnc(NCCc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083190,7.33
+COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1,CHEMBL1083191,7.96
+COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1OC,CHEMBL1086402,6.92
+CCc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1,CHEMBL1087669,7.18
+Cc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1087670,7.36
+Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1087037,7.92
+Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1087038,8.17
+NC(N)=NOCCNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O,CHEMBL1088332,8.77
+Cc1ccc(CCNc2ncc(C)n(CC(=O)N(C)CCON=C(N)N)c2=O)cc1,CHEMBL1077101,7.43
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1215083,8.585
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL1215084,9.0
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1215085,9.955
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1,CHEMBL1215086,10.125
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc([C@@](C)(NCC(=O)O)C(=O)N3CCCC3)ccc21,CHEMBL1270156,8.57
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccc(Cl)cc2CN1,CHEMBL1289648,10.05
+C/C(=N/NC(=N)N)c1cc(OCC(=O)Nc2cc(/C(C)=N\NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N\NC(=N)N)c1,CHEMBL1645024,6.07
+C/C(=N\NC(=N)N)c1cc(NS(=O)(=O)c2ccccc2)cc(/C(C)=N/NC(=N)N)c1,CHEMBL1644912,4.49
+N=C(N)N/N=C/c1ccc(/C=N/NC(=N)N)cc1,CHEMBL403278,4.17
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1,CHEMBL1682691,10.82
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CCCNC1,CHEMBL1682692,9.9
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl,CHEMBL1682693,9.12
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cccc(Cl)c1,CHEMBL1682694,8.52
+COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL1682695,8.7
+COc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL1682696,8.1
+Cc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL1682697,8.96
+COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1,CHEMBL1682698,8.8
+Cc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1,CHEMBL1682699,8.89
+Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(F)(F)F,CHEMBL1682756,9.3
+Cc1ccc(OCC(F)(F)F)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1,CHEMBL1682757,8.82
+COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCC2CCCCN2)c1=O,CHEMBL1682758,8.32
+Cc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCC2CCCCN2)c1=O,CHEMBL1682759,8.64
+COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCC3CCCCN3)c2=O)c1,CHEMBL1682760,8.74
+COc1ccc(C#N)c(CNC(=O)Cn2c(Cl)cnc(NCCc3cccc[n+]3[O-])c2=O)c1,CHEMBL1682761,8.96
+Cc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O,CHEMBL1682762,8.96
+O=C(Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1Cl,CHEMBL1682763,9.12
+COc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O,CHEMBL1682764,8.74
+O=C(Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1OCC(F)(F)F,CHEMBL1682765,9.51
+COc1ccc(C#N)c(CNC(=O)Cn2c(Cl)cnc(NCCc3ccccn3)c2=O)c1,CHEMBL1682766,8.82
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCC2)S(C)(=O)=O)c1,CHEMBL1682788,8.9
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(CCN)C2CCCCC2)c1,CHEMBL1682787,8.8
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCCC2)S(C)(=O)=O)c1,CHEMBL1682786,9.03
+CC(=O)N(c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1)C1CCCCC1,CHEMBL1682785,8.39
+Cc1cc(NC2CCCCC2)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1,CHEMBL1682784,8.02
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(C2CNCCC2CC(C)C)c1,CHEMBL1682783,8.74
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2c[n+]([O-])ccc2C(C)C)c1,CHEMBL1682782,9.11
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2C(C)C)c1,CHEMBL1682781,9.57
+CC(=O)c1ccncc1-c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1,CHEMBL1682780,7.07
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2N(C)C)c1,CHEMBL1682779,7.17
+Cc1cc(C(=O)NCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682778,7.3
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682777,9.57
+Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cncn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682776,8.15
+Cc1cc(C(=O)NCc2cc(Cl)ccc2CN)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682775,9.17
+Cc1cc(OCCc2cc(Cl)ccc2OCC(=O)NC2CCCNC2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682774,8.8
+COC(=O)COc1ccc(Cl)cc1CCOc1cc(C)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682773,9.14
+Cc1cc(OCCc2cc(Cl)ccc2-n2cncn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682772,9.03
+Cc1cc(OCCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682771,8.77
+COc1ccc(Cl)cc1CCOc1cc(C)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682770,7.47
+Cc1cc(OCCc2ccccc2CN)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682769,8.54
+Cc1cc(OCC(F)(F)c2cc(C)ccn2)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682768,7.43
+Cc1cc(OCCc2[nH]cnc2C)cc(C(=O)N(CC(C)C)CC(C)C)c1,CHEMBL1682767,8.46
+CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808947,6.075
+CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808948,6.15
+CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808949,6.13
+CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808950,6.02
+CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808951,6.52
+CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808952,6.48
+CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808953,6.43
+CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808954,6.54
+CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808955,6.46
+CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808956,6.475
+CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808957,6.37
+CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808958,6.32
+N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809213,9.41
+CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809214,8.17
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809216,9.0
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(c3ncccn3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809238,8.28
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809239,8.01
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809241,7.87
+CCC(NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809250,7.54
+CCC[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809251,7.17
+CC(C)[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809252,7.18
+C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809254,7.13
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(=N)N)cc1,CHEMBL1809256,5.79
+O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4s3)nn2)c1,CHEMBL1824555,6.06
+O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1,CHEMBL1824556,5.77
+Nc1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1,CHEMBL1824553,5.76
+O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4s3)nn2)c1,CHEMBL1824554,5.71
+O=S(=O)(/C=C/c1cccc(F)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4s3)nn2)c1,CHEMBL1824551,5.64
+O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4nc5ccccc5s4)nn3)c2)c1,CHEMBL1824550,5.34
+Cc1cccc(/C=C/S(=O)(=O)Nc2cccc(-c3nnn(Cc4cccc(Cl)c4)n3)c2)c1,CHEMBL1824559,5.28
+O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3nc4ccccc4s3)nn2)c1,CHEMBL1824549,5.27
+O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5[nH]4)nn3)c2)c1,CHEMBL1824552,5.16
+O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3ccccc3)nn2)c1,CHEMBL1824546,5.05
+O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cccc(Cl)c3)nn2)c1,CHEMBL1824544,4.86
+O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cccnc3)nn2)c1,CHEMBL1824558,4.41
+O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cccnc4)nn3)c2)c1,CHEMBL1824542,4.2
+O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL1923468,5.48
+N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CC1,CHEMBL1927522,4.63
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3ccc(F)cc3)cc21,CHEMBL1952398,6.12
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)cc3)ccc21,CHEMBL1952399,6.62
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccc(F)cc3)C(=O)C(=O)O)cc21,CHEMBL1952400,5.7
+CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952401,7.64
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)cc3)C(=O)C(=O)O)ccc21,CHEMBL1952402,6.59
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3cccc(F)c3)cc21,CHEMBL1952403,6.17
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cccc(F)c3)ccc21,CHEMBL1949701,6.49
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3cccc(F)c3)C(=O)C(=O)O)cc21,CHEMBL1952404,5.77
+CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952405,7.72
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3cccc(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1952406,6.62
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3ccc(F)c(F)c3)cc21,CHEMBL1952407,6.48
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)c(F)c3)ccc21,CHEMBL1952408,6.09
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)O)cc21,CHEMBL1952409,5.52
+CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952410,7.55
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1952411,6.54
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3cc(F)cc(F)c3)cc21,CHEMBL1949835,6.12
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cc(F)cc(F)c3)ccc21,CHEMBL1949836,6.7
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)cc21,CHEMBL1949837,5.3
+CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1949838,7.74
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1949839,6.82
+N=C(N)NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL2016865,6.18
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(c3)CNC(=O)CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016866,5.69
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016864,5.19
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016867,5.56
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016868,7.34
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016869,8.09
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016870,7.57
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC=CCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016871,6.93
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016872,6.29
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(c3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016873,5.195
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(n3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016874,5.275
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc([n+]3[O-])Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016875,5.93
+N=C(N)c1ccc(N)cc1,CHEMBL1562872,4.02
+C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL2086421,6.2
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccccc1,CHEMBL2152426,8.82
+C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL2152427,8.66
+CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL2152428,9.1
+CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL2152429,9.59
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc2ccccc2)cc1,CHEMBL2152430,8.43
+C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL2152431,8.28
+CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809219,8.89
+CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809234,9.05
+CC(C)(C)OC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C(=N)N)cc2)c1,CHEMBL2159284,4.19
+CC(C)(C)OC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159283,4.07
+N=C(N)c1cccc(NC(=O)CNS(=O)(=O)c2cccc3ccccc23)c1,CHEMBL2159282,5.24
+N=C(N)c1cccc(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL2159281,5.07
+COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=N)N)c2)cc1OC,CHEMBL2159397,4.97
+CC(C)NC(=O)CNS(=O)(=O)c1cccc(C(=N)N)c1,CHEMBL2159396,4.89
+N=C(N)c1cccc(S(=O)(=O)NCC(=O)NC2CCCCC2)c1,CHEMBL2159395,5.12
+N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3ccccc3c2)c1,CHEMBL2159394,5.4
+N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccccc2)c1,CHEMBL2159393,4.74
+COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159392,4.22
+COc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159391,4.55
+COc1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159390,4.08
+COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159389,4.91
+COc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159388,4.49
+COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC,CHEMBL2159387,4.81
+COc1ccc(NS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159374,4.15
+N=C(N)c1ccc(CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159280,6.28
+N=C(N)c1ccc(CNC(=O)[C@H](COCc2ccccc2)NS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159279,4.95
+N=C(N)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159278,5.62
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159277,4.97
+N=C(N)c1ccc(CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159276,6.03
+N=C(N)c1ccc(CNC(=O)[C@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159275,4.49
+N=C(N)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159274,5.22
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159273,4.78
+N=C(N)c1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159272,5.29
+N=C(N)c1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159271,5.09
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159270,4.77
+N=C(N)c1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159364,5.13
+N=C(N)c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C(=N)N)cc2)cc1,CHEMBL2159363,4.97
+N=C(N)c1cccc(S(=O)(=O)NCCCC(=O)Nc2cccc(C(=O)O)c2)c1,CHEMBL2159361,4.12
+N=C(N)c1cccc(S(=O)(=O)NCCCC(=O)Nc2ccc(C(=O)O)cc2)c1,CHEMBL2159305,4.52
+N=C(N)c1cccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(=O)O)c2)c1,CHEMBL2159304,4.06
+N=C(N)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(=O)O)cc2)c1,CHEMBL2159303,4.54
+N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)O)c2)c1,CHEMBL2159302,4.43
+N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)cc2)c1,CHEMBL2159301,4.28
+N=C(N)c1ccc(S(=O)(=O)NCCCC(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL2159299,4.18
+CC(C)(C)OC(=O)c1cccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)c1,CHEMBL2159294,4.52
+CC(C)(C)OC(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159293,4.82
+CC(C)(C)OC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)c1,CHEMBL2159292,4.89
+CC(C)(C)OC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159291,4.2
+CC(C)(C)OC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)c1,CHEMBL2159290,5.13
+CC(C)(C)OC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL2159289,4.86
+CC(C)(C)OC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(C(=N)N)cc2)c1,CHEMBL2159286,4.0
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCOc2ccc(Cl)cc2CN1,CHEMBL2204324,10.05
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OCC(COc1ccc(C(=N)N)cc1)O2,CHEMBL2216917,6.75
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)CNC(=O)CN1C[C@@H]2C,CHEMBL2315238,5.53
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315237,5.23
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315236,6.05
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C,CHEMBL2315235,5.07
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@H]2C,CHEMBL2315234,4.92
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315247,4.95
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315246,4.85
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4cccc(c4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315245,6.42
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315244,5.49
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315243,4.58
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315242,6.22
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315241,5.1
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315240,6.64
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315239,4.86
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(CCC)CCC,CHEMBL2334321,5.92
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)C[C@@]2(C)CC,CHEMBL2334320,5.68
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(CC)CC,CHEMBL2334319,5.28
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334318,5.74
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2,CHEMBL2334317,6.82
+CC(C)(C)OC(=O)CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334315,7.49
+CC1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NCC1CCCCC1)c2=O,CHEMBL2334312,6.66
+CC1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1(CO)CCCC1)c2=O,CHEMBL2334311,6.42
+CC(C)(C)Nc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334310,6.66
+CC1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCCC1)c2=O,CHEMBL2334309,6.8
+CC(C)CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334308,6.66
+CC1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CC1)c2=O,CHEMBL2334307,6.44
+CC(C)Nc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334306,6.89
+CCNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334305,6.59
+CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334304,6.64
+N=C(N)c1ccc(CNC(=O)[C@@H]2CC3(CCCC3)c3c(Cl)nc(NC4CCC4)c(=O)n32)cc1,CHEMBL2334300,7.11
+CCCC1(CCC)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334299,6.77
+CCC[C@@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334298,6.96
+CCC[C@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334326,7.44
+C=CC[C@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334325,6.66
+CCC1(CC)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334324,6.68
+CC1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334323,6.7
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCc3c(Cl)nc(NC4CCC4)c(=O)n32)cc1,CHEMBL2334322,7.46
+N=C(N)c1ccc(OC[C@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1,CHEMBL2337674,6.58
+N=C(N)c1ccc(OC[C@@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1,CHEMBL2337673,5.57
+N=C(N)c1ccc(OC[C@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1,CHEMBL2337672,5.78
+N=C(N)c1ccc(OC[C@@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1,CHEMBL2337671,5.29
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](COc1ccc(C(=N)N)cc1)CO2,CHEMBL2337670,7.11
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](COc1ccc(C(=N)N)cc1)CO2,CHEMBL2337669,6.17
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@@H](COc1ccc(C(=N)N)cc1)O2,CHEMBL2337675,5.78
+CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,CHEMBL539697,8.35
+Nc1ccc(CNC(=O)C2CCCN2C(=O)C(Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL2382311,8.0
+COc1ccc(OC)c(S(=O)(=O)NC2CCCCN(CC(=O)NCc3ccc(C(=N)N)cc3)C2=O)c1,CHEMBL2382312,8.0
+N=C(N)c1ccc(CNC(=O)CN2C(=O)C(NS(=O)(=O)c3ccc4c(c3)CCO4)CCc3ccccc32)cc1,CHEMBL2382313,7.8
+N=C(N)c1ccc(CNC[C@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)cc1,CHEMBL2391198,4.28
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2ccc(C(=O)O)cc2)cc1O,CHEMBL2409314,5.74
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2cccc(C(=O)O)c2)cc1O,CHEMBL2409220,6.48
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2ccccc2C(=O)O)cc1O,CHEMBL2409219,7.46
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)ccc1O,CHEMBL2409218,6.52
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL2419745,10.7
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(CO)c2)ccc1OC(C)C,CHEMBL2431599,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(O)c2)ccc1OC(C)C,CHEMBL2431597,4.96
+CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1OC(C)C,CHEMBL2431611,4.99
+CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL2431614,5.03
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL2431602,5.03
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccc(N)cc2)ccc1OC(C)C,CHEMBL2431604,5.13
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431595,5.16
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431589,5.37
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)C,CHEMBL2431605,5.54
+COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC,CHEMBL2441037,6.12
+O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441054,7.51
+O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441055,7.05
+O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441057,7.8
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441058,7.85
+Cc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCN(C)CC1,CHEMBL3091519,8.1
+CC(=O)Nc1c(-c2ccccc2)cccc1S(=O)(=O)N[C@@H](CCCc1ccc(N)cn1)C(=O)N1CCC(=C(F)F)CC1,CHEMBL3091517,7.51
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21,CHEMBL3091516,7.7
+N=C(N)c1ccc(Oc2cc(C(=O)N[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099587,5.6
+N=C(N)c1ccc(Oc2cc(C(=O)NC3CCN(CCCN)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099586,5.54
+N=C(N)c1ccc(Oc2ccc(C(=O)NCCCN)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099583,5.68
+N=C(N)c1ccc(Oc2ccc(C(=O)NC3CCN(C(=O)CCN)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3100168,5.44
+N=C(N)c1ccc(Oc2ccc(C(=O)N[C@H]3CC[C@H](N)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099814,5.47
+N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099812,5.24
+N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099589,5.39
+N=C(N)c1ccc(Oc2ccc(N)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099588,5.36
+N=C(N)c1ccc(CNC(=O)C(Cc2ccc(CN)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115903,5.7
+N#Cc1ccc(CC(NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C(=O)NCc2ccc(C(=N)N)cc2)cc1,CHEMBL3115902,5.7
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115901,6.3
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115900,5.7
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115899,5.52
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115898,5.22
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115897,5.52
+N=C(N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@H](N)CC2CCCCC2)cc1,CHEMBL3115896,4.82
+N=C(N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115894,4.92
+N=C(N)c1ccc(CNC(=O)C(CC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115893,5.22
+N=C(N)c1ccc(CNC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCNCC2)cc1,CHEMBL3115892,4.85
+N=C(N)c1ccc(CNC(=O)[C@H](CC2CCCN2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115907,5.4
+N=C(N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCCC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3115906,5.52
+N=C(N)NCCC[C@H](NC(=O)[C@H](N)C1CCCCC1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3115905,6.0
+N=C(N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3115904,6.0
+CCOc1ccc(F)c([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c1,CHEMBL3114836,5.36
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c(F)cc1F,CHEMBL3114835,5.24
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(OC)ccc2F)c1,CHEMBL3114834,5.36
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(C)ccc2F)c1,CHEMBL3114833,5.44
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(F)c(OC)c2)c1,CHEMBL3114832,5.17
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(Cl)c(OC)c2)c1,CHEMBL3114831,5.31
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1,CHEMBL3114849,5.25
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cccc(OC(F)F)c2)c1,CHEMBL3114848,5.19
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1,CHEMBL3114847,5.47
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cc(NC(C)=O)ccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114843,4.92
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114842,5.55
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C,CHEMBL3114841,5.54
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C,CHEMBL3114840,5.62
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1OC(C)C,CHEMBL3114839,5.17
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N)c2)ccc1OC(C)C,CHEMBL3114857,5.1
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(O)c2)ccc1OC(C)C,CHEMBL3114856,5.11
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(=O)OC)c2)ccc1OC(C)C,CHEMBL3114855,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114854,5.06
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NS(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114853,5.02
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C,CHEMBL3114852,4.89
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2)ccc1OC(C)C,CHEMBL3114851,5.11
+CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114553,7.28
+CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114554,7.11
+CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114555,8.96
+CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114556,7.49
+CN1CCN(C(=O)[C@H](O)C(C)(C)C)[C@H](C(=O)NCc2cc(Cl)ccc2CN)C1,CHEMBL3114557,7.47
+CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114558,7.2
+CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114559,8.14
+CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc(C2CC(C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127463,4.9
+CCOC(=O)C1CCCCN1c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1,CHEMBL3134463,6.45
+O=C(NC[C@H]1CN(c2ccc(N3CCCC(C(=O)O)C3)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL3134468,4.75
+O=C(NC[C@H]1CN(c2ccc(N3CCC(C(=O)O)CC3)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL2391037,4.78
+O=C(NC[C@H]1CN(c2ccc(N3CCC(C(=O)O)CC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL3134465,4.16
+N=C(N)c1cccc(N)c1,CHEMBL3247186,4.4
+N=C(N)c1ccc(C=C(O)C(=O)O)cc1,CHEMBL1231012,5.4
+N=C(N)c1cccc(C(=N)Nc2cccc3ccccc23)c1,CHEMBL3247195,4.0
+N=C(N)c1cccc(OCCCOc2ccccc2)c1,CHEMBL3247193,4.1
+N=C(N)c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1,CHEMBL2418042,4.49
+N=C(N)c1cccc(OCc2cc(COc3cccc(C(=N)N)c3)cc(COc3cccc(C(=N)N)c3)c2)c1,CHEMBL3245421,6.19
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC4CCCCC4C3)c2)cc1,CHEMBL3289028,6.3
+CC1CCC(NC(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289019,6.13
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(N)=O)c2)cc1,CHEMBL3289015,5.98
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCC(O)CC3)c2)cc1,CHEMBL3289020,5.91
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCCN)CC3)c2)cc1,CHEMBL3289022,5.89
+N=C(N)c1cccc(COc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)c1,CHEMBL3289301,5.89
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1,CHEMBL3289029,5.81
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCCCC3)c2)cc1,CHEMBL3289017,5.79
+N=C(N)c1ccc(COc2cc(OCc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289300,5.78
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCO)CC3)c2)cc1,CHEMBL3289021,5.75
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289023,5.68
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)Nc3ccc(F)cc3)c2)cc1,CHEMBL3289030,5.68
+N=C(N)c1ccc(Oc2cc(NC(=O)[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289034,5.65
+CC1CCC(C(=O)Nc2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289031,5.63
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1,CHEMBL3289018,5.62
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)O[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289038,5.61
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289033,5.6
+N=C(N)c1ccc(Oc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289043,5.57
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289032,5.57
+N=C(N)c1ccc(COc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289042,5.55
+N=C(N)c1ccc(Oc2cc(N)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289016,5.55
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCC(O)CC3)c2)cc1,CHEMBL3289025,5.54
+N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289298,5.51
+N=C(N)c1ccc(Oc2cc(Oc3ccc(NC(=O)CCN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289044,5.49
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(N)=O)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289041,5.45
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289297,5.4
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)nc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289045,5.4
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL3289024,5.39
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCO)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289035,5.38
+N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289036,5.31
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1,CHEMBL3314440,5.59
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3)c[nH]2)c1,CHEMBL3403467,5.92
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C)c[nH]2)c1,CHEMBL3403471,6.15
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1,CHEMBL3403472,6.12
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccc(C)cc3)c[nH]2)c1,CHEMBL3403473,6.12
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3OC)c[nH]2)c1,CHEMBL3403474,6.24
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1,CHEMBL3403475,6.1
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccc(OC)cc3)c[nH]2)c1,CHEMBL3403476,6.19
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1,CHEMBL3403477,5.78
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(=O)OC)c[nH]2)c1,CHEMBL3403478,5.35
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(=O)O)c[nH]2)c1,CHEMBL3400183,6.72
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(N)=O)c[nH]2)c1,CHEMBL3403479,5.92
+CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423005,6.0
+N[C@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL3423001,4.35
+N[C@@H](CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C1CCCCC1,CHEMBL3423000,4.12
+CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL3422995,5.89
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2CCCc2ccccc2)cc1,CHEMBL3423013,4.92
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2CCC2CCCCC2)cc1,CHEMBL3423012,4.7
+CC(C)CCCN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423011,4.66
+CC(C)CCN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423010,4.32
+CCCCN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423009,4.27
+CCCN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423008,4.2
+CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423208,8.0
+C[C@@H](N)CN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423211,4.57
+CC[C@@H](N)CN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423212,4.74
+CC(C)[C@@H](N)CN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423213,4.7
+CC(C)C[C@@H](N)CN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL3423214,5.44
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C[C@H](N)C2CCCCC2)cc1,CHEMBL3423215,5.59
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C[C@H](N)Cc2ccccc2)cc1,CHEMBL3423216,5.88
+CN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)CC1,CHEMBL3580759,5.13
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2,CHEMBL3594314,5.17
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(=N)N)cc1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594313,6.74
+CC(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594311,5.4
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594310,5.24
+N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl,CHEMBL3608988,7.22
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3608989,6.85
+COc1ccc(C(=O)Nc2ccccn2)cc1,CHEMBL1571193,2.61
+NC(=O)c1ccc(Cl)s1,CHEMBL3608990,3.37
+N=C(N)c1ccc(C2C3C(=O)N(Cc4ccc(F)cc4)C(=O)C3C3CCCN32)cc1,CHEMBL3613792,7.24
+N=C(N)c1ccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3CCCN32)cc1,CHEMBL3613791,6.51
+CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL3623793,6.67
+CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL3623792,6.42
+N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C3CCCN32)cc1,CHEMBL3632869,6.57
+N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4cccc(F)c4)C(=O)[C@H]3C3CCCN32)cc1,CHEMBL3632870,6.44
+N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3C3CCCN32)cc1,CHEMBL3632871,7.24
+N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4cc(F)cc(F)c4)C(=O)[C@H]3C3CCCN32)cc1,CHEMBL3632872,6.23
+CC(C)[C@@H]1[C@H]2C3CCCN3[C@@H](c3ccc(C(=N)N)cc3)[C@H]2C(=O)N1Cc1ccccc1,CHEMBL3632873,7.19
+CC(C)[C@@H]1[C@H]2C3CCCN3[C@@H](c3ccc(C(=N)N)cc3)[C@H]2C(=O)N1Cc1ccc(F)cc1,CHEMBL3632874,8.3
+CC(C)[C@@H]1[C@H]2C3CCCN3[C@@H](c3ccc(C(=N)N)cc3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1,CHEMBL3632875,8.1
+COc1ccc(CN2C(=O)[C@H]3[C@H](C4CCCN4[C@H]3c3ccc(C(=N)N)cc3)[C@H]2C(C)C)cc1,CHEMBL3632876,7.82
+CC(C)c1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL3632755,5.72
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1,CHEMBL3632759,5.68
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(F)CCCCC4)n3)cc2c1,CHEMBL3632760,5.44
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)[n+]3[O-])cc2c1,CHEMBL3632761,5.07
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3ccc(cc3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666826,6.66
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccccc3CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666822,6.24
+O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)N1,CHEMBL3666825,5.08
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666821,5.52
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCCNC(=O)c3cccc(c3)C(=O)NCCCC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666824,6.73
+CC1CN(c2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780584,4.44
+CC1CN(Cc2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780039,4.09
+CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3781349,4.94
+N=C(N)c1cccc(N2CC(O)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781784,4.66
+N=C(N)c1cccc(N2CC(CO)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781354,5.13
+COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3780434,5.09
+N=C(N)c1cccc(N2CC(OCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780208,4.53
+N=C(N)c1cccc(N2CC(COCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780036,5.67
+N=C(N)c1cccc(N2CC(NC(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780548,4.37
+N=C(N)c1cccc(N2CC(NS(=O)(=O)c3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780005,4.77
+N=C(N)c1cccc(N2CC(NS(=O)(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781673,4.87
+C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3808399,5.33
+C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3809352,5.13
+N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1,CHEMBL3809671,7.0
+N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1,CHEMBL3808596,6.74
+N=C(N)c1ccc(NCCCCCCCCNc2ccc(C(=N)N)cc2)cc1,CHEMBL3594083,6.5
+N=C(N)c1ccc(NCCCCCCCNc2ccc(C(=N)N)cc2)cc1,CHEMBL3594082,6.3
+N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,CHEMBL269032,5.28
+N=C(N)c1ccc(N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1,CHEMBL9126,5.0
+N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL365916,5.94
+N=C(N)c1ccc(OCc2ccccc2COc2ccc(C(=N)N)cc2)cc1,CHEMBL181480,6.55
+N=C(N)c1ccc(NC(=O)C(=O)Nc2ccc(C(=N)N)cc2)cc1,CHEMBL3828410,4.8
diff --git a/chembl_200/CHEMBL2041.csv b/chembl_200/CHEMBL2041.csv
new file mode 100644
index 0000000000000000000000000000000000000000..55971df6c4bd3a63caa015ce942ca38b0645255b
--- /dev/null
+++ b/chembl_200/CHEMBL2041.csv
@@ -0,0 +1,341 @@
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,6.0
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL230686,6.39
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,7.9
+CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(=O)(O)O,CHEMBL415049,6.8
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.4
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,8.2
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,6.8
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,8.3
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,5.8
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,7.1
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.2
+CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,CHEMBL554,5.9
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,7.0
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,7.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.2
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.0
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,8.9
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,8.0
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,7.9
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,7.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,8.0
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,7.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,8.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,7.1
+CN(C)CCCN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1964948,5.8
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.1
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,5.9
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.1
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.5
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.1
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,8.5
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.9
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.5
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.9
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.6
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.7
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.0
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.0
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.35
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.2
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,8.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,8.0
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.95
+N#Cc1ccc2nc(N)n(-c3nc4c(s3)CCCC4)c2c1,CHEMBL1996345,5.6
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.7
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.5
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1,CHEMBL1965033,6.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.7
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.3
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.4
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,7.2
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.1
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,7.7
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.3
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,8.4
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,6.0
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.5
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.5
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.6
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.3
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,5.9
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,8.8
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,6.0
+O=C1CN=C(c2ccc(F)cc2)c2cn[nH]c2N1,CHEMBL1994056,4.1
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,6.1
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.8
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,7.8
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,6.9
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.1
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,7.6
+CN(C)c1c(NC(=O)Cc2ccccc2)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1971485,6.2
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,7.7
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.5
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.7
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,5.9
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,7.0
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.6
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.6
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,7.5
+Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C,CHEMBL1977814,5.6
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.65
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.3
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.8
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,6.7
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,7.3
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.7
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.6
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,6.4
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,8.3
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,6.5
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.5
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,5.0
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.7
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,8.0
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.3
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,7.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,7.4
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,8.0
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,7.3
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,8.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,6.1
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,9.2
+CCN(CCN(C)C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1992354,5.8
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.4
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.9
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,7.0
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.0
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.2
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.5
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,5.2
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.1
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,8.5
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.9
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,8.4
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.0
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,7.3
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.9
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,5.8
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.5
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.6
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,5.6
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.6
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.1
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,8.0
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,7.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,6.0
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.5
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.7
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.3
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.5
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,7.4
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.9
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,7.4
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.6
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.7
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.4
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,7.5
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,6.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.9
+O=C(Nc1nc2c(O)cccc2s1)Nc1ccccc1-c1ccccc1,CHEMBL2002690,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,8.0
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,7.5
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.2
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,8.4
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,7.0
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.0
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,8.1
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.3
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,7.6
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,4.1
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.4
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.9
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1,CHEMBL1978271,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4n[nH]c(N)c34)cc2)c1,CHEMBL2007266,6.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,8.6
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.6
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.5
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.1
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.2
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.5
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.4
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.6
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,7.0
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.6
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,8.1
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,6.7
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.6
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,6.3
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,7.1
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.9
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,8.8
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.5
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,5.7
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,6.9
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.4
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.9
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,8.1
+CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1979773,5.8
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.1
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,7.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.2
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,6.7
+O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL2007124,6.5
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.6
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,7.1
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,7.0
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.9
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.3
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,7.1
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.2
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.4
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,5.6
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,9.0
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,7.6
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.9
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(Cl)c1,CHEMBL1997892,8.5
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.6
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.1
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.1
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.9
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,8.0
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1,CHEMBL183844,7.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,7.0
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,6.9
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,9.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.0
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,7.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,9.2
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,5.7
+O=C1NS(=O)(=O)c2cccc(Cl)c21,CHEMBL1987003,4.0
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.9
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.6
+CCOc1ccccc1-c1cccc(-c2[nH][nH]c3nc(=O)cc(C)c2-3)c1,CHEMBL1983070,7.2
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,6.1
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.3
+O=C(NCCCCCCNC(=O)NCc1cccnc1)NCc1cccnc1,CHEMBL2003420,6.0
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.9
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.8
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,8.1
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,7.6
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.7
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.9
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,6.3
+Nc1ncnc2sccc12,CHEMBL1972934,4.6
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.7
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,8.5
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.7
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,7.0
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.3
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.3
+CC(=O)OCCn1[nH]c(-c2cccc(Br)c2)c2c(C(F)(F)F)cc(=O)nc1-2,CHEMBL1984847,7.7
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,7.2
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,7.5
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,7.4
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,6.0
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,7.7
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,7.3
+CN(C)CCCCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2001451,6.0
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,5.6
+CC(SCC1CCC2CC1C2(C)C)C(N)=O,CHEMBL1966976,4.0
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.1
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.8
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,7.4
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.4
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,7.0
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,8.6
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,7.2
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,7.8
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,8.5
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.5
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,8.3
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.5
+Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,7.1
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.3
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,7.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,8.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.1
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,7.2
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.7
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.5
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,8.5
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.9
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,5.7
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.1
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.7
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.3
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.4
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,8.0
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,6.1
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)N(CCN)CCO)c2)n1,CHEMBL1993634,5.9
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,5.9
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,4.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,7.3
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,5.7
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,6.4
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.4
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,6.3
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,6.2
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,6.2
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,8.5
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,8.0
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,8.1
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,6.0
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.9
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.6
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.1
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,6.0
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,7.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.4
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.9
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,7.74
+COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,CHEMBL1289601,8.82
diff --git a/chembl_200/CHEMBL2049.csv b/chembl_200/CHEMBL2049.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3be317757d5bac1f6c53959f7bf1d0813f2644e3
--- /dev/null
+++ b/chembl_200/CHEMBL2049.csv
@@ -0,0 +1,584 @@
+CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1cnc[nH]1)C2,CHEMBL338522,7.21
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc([N-][N+]#N)c(I)c1)C(N)=O)[C@@H](C)O,CHEMBL3142790,9.52
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc([N-][N+]#N)c(I)c1)C(N)=O)[C@@H](C)O,CHEMBL2370342,7.74
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc([N-][N+]#N)c(I)c1)C(N)=O)[C@@H](C)O,CHEMBL2370343,8.64
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc([N-][N+]#N)c(I)c1)C(N)=O)[C@@H](C)O,CHEMBL3142789,9.22
+CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O,CHEMBL2112248,8.765
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+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,CHEMBL2369837,5.84
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL375324,5.97
+N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,CHEMBL80877,6.25
+CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL221436,6.87
+COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL279230,8.01
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+CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1,CHEMBL25502,6.41
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+COc1ccc(CC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1,CHEMBL26877,7.48
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+COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1,CHEMBL25611,6.62
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+CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1,CHEMBL24682,8.62
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+COc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1,CHEMBL27157,7.06
+CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1,CHEMBL344752,6.82
+CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1,CHEMBL142324,6.7
+CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1,CHEMBL358793,7.62
+CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1,CHEMBL143304,6.89
+CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1,CHEMBL296908,6.77
+CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1,CHEMBL143341,5.68
+COc1cc(OC(C)C2CCNCC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL105960,7.14
+CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1,CHEMBL104530,7.82
+COc1cc(OC(c2ccccc2)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL322162,5.74
+COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL105406,8.27
+COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL102994,8.1
+COc1cc(OCc2ccccc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL319646,7.14
+COc1cc(O[C@H](C)c2ccncc2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL322187,8.41
+COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL105514,8.13
+CCC(Oc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1)c1ccccc1,CHEMBL102762,7.24
+COc1cc(O[C@H](C)c2ccncc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL104237,8.7
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+COc1cc(OC2CCCc3ccccc32)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL105733,6.59
+COc1cc(OC(C)C2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL318174,7.27
+COc1cc(OC(C)C)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL105039,7.77
+CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O,CHEMBL2112378,8.55
+CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O,CHEMBL2112376,6.0
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+CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21,CHEMBL540192,8.92
+CC(=O)CCCC(=O)NC1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL277425,7.5
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL284120,8.1
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(C)CCc2cccc(Cl)c2)C1=O,CHEMBL428694,5.8
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O,CHEMBL24678,7.0
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O,CHEMBL281403,7.6
+NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1C(=O)C(NC(=O)CN2CCOCC2)N=C(c2ccccc2)c2ccccc21,CHEMBL25942,7.4
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O,CHEMBL24074,7.0
+CC(=O)CCCC(=O)NC1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL24353,6.7
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O,CHEMBL24816,7.0
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O,CHEMBL436540,7.1
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O,CHEMBL25310,6.5
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL422044,6.1
+CS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL26398,6.3
+CC(=O)CCCC(=O)NC1N=C(Cn2ccnc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL278619,6.1
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O,CHEMBL25067,6.7
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1=O,CHEMBL278093,6.1
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O,CHEMBL278802,7.7
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O,CHEMBL285312,7.8
+CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O,CHEMBL24786,7.8
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O,CHEMBL24605,7.0
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O,CHEMBL24806,7.6
+CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(-c3ccccc3)no2)C1=O,CHEMBL278988,6.1
+Cn1ncc2c(=O)n(CC(=O)NCc3cc4cc(C(=O)N5CCC(N6C(=O)OCc7ccccc76)CC5)ccc4o3)cnc21,CHEMBL285820,8.9
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)ccc2o1,CHEMBL287629,7.6
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cc(F)ccc54)CC3)ccc2o1,CHEMBL283039,8.2
+O=C(Cn1ccc(N2CCOCC2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL286895,9.3
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2s1,CHEMBL281081,8.0
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(Cl)cc54)CC3)ccc2o1,CHEMBL31651,8.5
+O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL281044,8.2
+Cn1c(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc21,CHEMBL281106,7.3
+O=C(c1ccc2oc(-c3cccc(Cn4cc(C(F)(F)F)ccc4=O)c3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31556,6.1
+COc1cccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c1=O,CHEMBL281243,8.6
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(F)cc2o1,CHEMBL287101,8.1
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2o1,CHEMBL30550,7.0
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2s1,CHEMBL282767,7.1
+O=C(Cn1ccccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL287325,8.2
+O=C(Cn1ccc(-c2ccccc2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL30510,9.0
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(F)cc54)CC3)ccc2o1,CHEMBL282494,8.2
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cccc(F)c54)CC3)ccc2o1,CHEMBL30910,8.1
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5c(F)cccc54)CC3)ccc2o1,CHEMBL287628,7.0
+CCOc1ccn(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)c(=O)n1,CHEMBL283894,8.7
+O=C(Cn1cnc(C(F)(F)F)cc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL32404,8.4
+CN(CCn1cnc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O,CHEMBL32567,6.4
+CN1CC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O,CHEMBL262384,8.5
+CC1(C)NC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O,CHEMBL284688,7.8
+Cc1c[nH]c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12,CHEMBL287067,6.1
+CS(=O)(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1,CHEMBL282781,7.2
+CC(=O)N(C)CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL286979,7.2
+CC(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL31823,6.4
+Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2[nH]1,CHEMBL32740,6.9
+Cc1c(C)n(C[C@H]2CCCN2S(C)(=O)=O)c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12,CHEMBL30865,6.4
+CC(=O)N1CCN(Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1,CHEMBL28627,7.1
+CN(Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1)C(=O)CN1C(=O)CNC1=O,CHEMBL31213,7.6
+CC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL31350,7.2
+CS(=O)(=O)NCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL285013,6.5
+Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc2ccn(C[C@H]3CCCN3S(C)(=O)=O)c12,CHEMBL32745,8.0
+CC(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1,CHEMBL31606,7.2
+CS(=O)(=O)N1CCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1,CHEMBL31978,7.1
+CC1OC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O,CHEMBL31802,7.6
+CN(CCCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O,CHEMBL285012,6.8
+CS(=O)(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL284410,7.7
+CS(=O)(=O)N1CCC[C@@H]1Cc1coc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc12,CHEMBL31941,6.7
+CC(=O)N1CCCC(c2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1,CHEMBL288774,6.7
+O=C(CN1C(=O)CNC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL31476,8.2
+Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31986,6.9
+Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL287293,6.9
+CN(CCn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O,CHEMBL30315,7.4
+O=C(c1ccc2ncsc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL32054,6.1
+O=C(c1ccc2cc[nH]c2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL282577,6.7
+O=C(Cc1cccnc1)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL31163,7.6
+CC(=O)NCC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL284419,7.8
+O=C(c1ccc2ccoc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31691,6.4
+O=C(c1ccc2[nH]ccc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31241,6.7
+CC(=O)N1CCC[C@@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL286476,6.8
+CN1CCC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O,CHEMBL279782,8.4
+O=C(c1ccc2occc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL286084,6.6
+O=C(CN1CCCC1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL417133,7.6
+CC(=O)N1CCC[C@@H]1c1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL32187,7.6
+O=C(c1ccc2[nH]ccc2n1)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31645,6.1
+Cc1nc(-c2cccs2)ncc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1,CHEMBL31665,6.8
+CC(=O)NCCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1,CHEMBL30667,7.4
+CS(=O)(=O)N1CCC[C@H]1Cn1ccc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21,CHEMBL287042,6.9
+CCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL2369845,6.88
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL360648,6.83
+CC(=O)Nc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL371008,8.8
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1,CHEMBL382518,8.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1,CHEMBL197793,8.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1,CHEMBL198329,8.3
+Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL555148,8.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1,CHEMBL196603,8.5
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1,CHEMBL194584,8.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1,CHEMBL197298,7.5
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccccc1,CHEMBL194374,8.3
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1,CHEMBL381024,8.6
+COc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL372128,8.6
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1,CHEMBL196780,8.3
+CC(=O)Nc1ccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL372554,8.7
+CC(=O)Nc1cccc([C@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c1,CHEMBL193773,8.2
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1,CHEMBL382065,7.6
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cccc(N2CCN(C)CC2)c1,CHEMBL371983,6.8
+c1ccc2c(c1)CNCO2,CHEMBL372615,8.7
+CC(=O)Nc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL372619,6.9
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccccc1,CHEMBL273988,7.3
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(F)cc1,CHEMBL427353,7.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1,CHEMBL194233,7.1
+Cc1ccc([C@@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL194922,7.3
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1,CHEMBL371291,7.6
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1,CHEMBL197833,7.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1,CHEMBL196688,6.8
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccccc1,CHEMBL198328,7.1
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1,CHEMBL198964,6.8
+COc1ccc([C@@H](C(=O)NC(C)(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cc1,CHEMBL197822,7.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)(C)C)c1ccc(OC(F)(F)F)cc1,CHEMBL372516,6.8
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1,CHEMBL372978,8.4
+C=CCN1C(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H]1C1Cc2ccccc2C1,CHEMBL194432,7.2
+CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1,CHEMBL194431,6.5
+O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL1254116,7.05
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL1254117,7.85
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113189,8.8
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1,CHEMBL2113200,6.94
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113196,6.49
+COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1,CHEMBL2113195,6.96
+CN(C)CCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL445816,9.19
+O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO,CHEMBL2113181,9.05
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113179,8.39
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113177,8.15
+CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113201,8.96
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113185,9.05
+CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113203,8.68
+COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113211,8.15
+COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113208,8.52
+Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL382515,6.98
+Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL2113205,6.95
+CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL2113216,7.68
+COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,CHEMBL2113215,7.7
+CCC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113214,5.76
+CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113213,7.21
+CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113212,7.44
+CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113210,7.745
+CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113209,8.0
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113207,8.06
+Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL200729,6.62
+Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2cccc3ccccc23)cc1,CHEMBL2113206,6.76
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21,CHEMBL2113204,7.43
+COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1OC,CHEMBL371223,7.74
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C2C(N)=O)c2ccc(OC)cc2)cc1,CHEMBL383149,6.11
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2C(N)=O)c2ccc(OC)cc2)cc1,CHEMBL198622,6.49
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(OC)cc2)cc1,CHEMBL197378,6.29
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3CC2CC(N)=O)c2ccc(C)cc2)cc1,CHEMBL427190,6.3
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1,CHEMBL200368,5.56
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1,CHEMBL200329,7.22
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1,CHEMBL372122,7.82
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1,CHEMBL2113202,7.19
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1,CHEMBL2113198,8.41
+CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccccc2)cc1,CHEMBL200403,7.44
+CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(CO)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1,CHEMBL2113197,5.86
+CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1,CHEMBL2113194,6.35
+Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1,CHEMBL381433,6.33
+COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1,CHEMBL373167,6.8
+COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC,CHEMBL198780,6.21
+COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1,CHEMBL200682,6.1
+COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1,CHEMBL114302,7.0
+Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CHEMBL196974,6.8
+Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1,CHEMBL200415,7.03
+C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O,CHEMBL196816,5.31
+C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O,CHEMBL198630,6.63
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O,CHEMBL200792,7.17
+Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1,CHEMBL115305,7.17
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](CO)c1ccc(F)cc1F,CHEMBL209917,7.9
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)O)c1ccc(F)cc1F,CHEMBL211556,9.2
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CC(O)C1)c1ccc(F)cc1F,CHEMBL377315,9.2
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)CCO)c1ccc(F)cc1F,CHEMBL210029,9.9
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(F)cc1F,CHEMBL211443,8.9
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCC1)c1ccc(F)cc1F,CHEMBL378718,9.2
+CNC(=O)[C@@H](c1ccc(F)cc1F)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C,CHEMBL379192,9.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(N)=O)c1ccc(F)cc1F,CHEMBL438609,9.3
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCC(O)CC2)cc1,CHEMBL213112,8.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2,CHEMBL211440,8.4
+CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N2CCOCC2)cc1,CHEMBL427227,8.8
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc2c(c1)CCO2,CHEMBL378939,8.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1F,CHEMBL196478,8.9
+CC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)OC2C(=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)N(C(=O)[C@H]3CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)N(C)C(=O)CCc4ccc(O)cc4)C3)[C@@H](CCCCN)C(N)=O)c(Cl)c(Cl)c1C(=O)O)CC1C(=NC(C)(C)CC1C)C2S(=O)(=O)O,CHEMBL1161978,8.98
+CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](C(=O)N(C(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)[C@@H](CCCCN)C(N)=O)C1,CHEMBL1161979,8.71
+Cc1ccn(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)n1,CHEMBL363910,6.7
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccoc1,CHEMBL271456,7.9
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1coc(C(F)(F)F)n1,CHEMBL257916,9.8
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1coc(C2CC2)n1,CHEMBL256692,9.1
+Cc1nc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1,CHEMBL401910,8.9
+Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)c(C)o1,CHEMBL403477,8.5
+Cc1nc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)cs1,CHEMBL408691,9.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cccs1,CHEMBL270013,8.2
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1cc(Br)cs1,CHEMBL257660,9.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)s1,CHEMBL410420,8.7
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(-c2ccccn2)s1,CHEMBL409878,8.6
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1,CHEMBL401960,10.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(Br)o1,CHEMBL270624,9.1
+CNC(=O)c1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1,CHEMBL271057,7.4
+Cc1cc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)oc1C,CHEMBL271657,8.9
+Cc1ccc([C@H](C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1,CHEMBL209864,9.0
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccco1,CHEMBL271266,8.2
+CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1,CHEMBL401858,8.2
+Cc1nc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1,CHEMBL271039,8.7
+Cc1nc([C@H](C(=O)N2CCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1,CHEMBL403149,8.8
+Cc1nc([C@H](C(=O)N(C)CCO)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1,CHEMBL256391,8.9
+Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1,CHEMBL2112903,8.1
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3cccc(F)c3Cl)cn2)cn1,CHEMBL466762,9.0
+COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511215,6.7
+COCc1nnc(-c2cnc(-c3ccc(C#N)cc3C)cn2)n1-c1ccc(OC)nc1,CHEMBL469005,7.85
+COCc1nnc(-c2cnc(-c3ccc(OC)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511917,6.27
+CCSc1ccc(-c2cnc(-c3nnc(C)n3-c3ccc(OC)nc3)cn2)c(C)c1,CHEMBL467546,6.63
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1,CHEMBL467545,8.7
+COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1,CHEMBL467378,8.22
+COCc1nnc(-c2cnc(-c3cccc(C#N)c3)cn2)n1-c1cccnc1,CHEMBL512105,7.08
+COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1,CHEMBL511265,7.77
+COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1,CHEMBL467186,8.4
+COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1,CHEMBL512257,7.37
+COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1,CHEMBL467185,7.8
+COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1,CHEMBL467184,7.25
+COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL511908,6.84
+Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCN1CCOCC1,CHEMBL467154,6.52
+CO/N=C1/C[C@H](c2ncno2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1,CHEMBL467153,7.3
+Cc1nc(C(C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)co1,CHEMBL513488,8.52
+O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1,CHEMBL475207,7.3
+O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1,CHEMBL514975,8.5
+COc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL515111,7.2
+CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL474219,6.2
+N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL475561,5.7
+Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1,CHEMBL475395,9.0
+Cc1cc(-c2ccccc2)ccc1C(=O)N(CC1CC1)CC1CCCO1,CHEMBL514031,6.9
+O=C(c1ccc(-c2cccc(Cl)c2)cc1)N(CC1CC1)CC1CCCO1,CHEMBL473442,8.1
+O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1,CHEMBL473443,7.1
+O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)CC1CCCO1,CHEMBL447916,5.5
+Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1,CHEMBL474621,7.4
+Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL482323,7.8
+COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL482321,7.2
+Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1,CHEMBL521444,6.2
+O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL482322,6.0
+O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL480546,7.1
+N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL480584,6.0
+O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)CC1CCCO1,CHEMBL520595,5.5
+COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1,CHEMBL481568,5.2
+Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL481569,8.5
+O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)CC1CCCO1,CHEMBL481730,6.7
+O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)CC1CCCO1,CHEMBL515447,6.5
+COc1ccc(C)cc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1,CHEMBL474609,5.2
+CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1,CHEMBL491224,8.22
+CCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C,CHEMBL491421,6.84
+CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C,CHEMBL491422,6.99
+CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C(F)(F)F,CHEMBL521789,6.72
+CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl,CHEMBL489386,6.84
+CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C,CHEMBL489387,7.35
+CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C,CHEMBL522255,7.72
+CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1,CHEMBL492029,7.55
+COc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1,CHEMBL515384,7.4
+COc1ccc(S(=O)(=O)N(Cc2noc(-c3ccccc3)n2)c2ccc(OC)nc2)cc1,CHEMBL514287,7.4
+COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1,CHEMBL459291,7.2
+COc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1,CHEMBL514113,7.2
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC)nc2)cc1,CHEMBL457997,6.9
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1,CHEMBL515660,8.1
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1,CHEMBL457544,8.15
+COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c1,CHEMBL456254,8.8
+COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1,CHEMBL456464,8.6
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccn2)cn1,CHEMBL515818,8.4
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1,CHEMBL514586,8.2
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1,CHEMBL457998,8.0
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)cn2)cn1,CHEMBL515975,7.9
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2sc(C)nc2C)cn1,CHEMBL514123,7.9
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccs2)cn1,CHEMBL458654,7.9
+COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1,CHEMBL458872,7.9
+COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)S(=O)(=O)c2ccccc2)cc1,CHEMBL459073,6.7
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3)cn2)cn1,CHEMBL539665,6.46
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1,CHEMBL562946,7.63
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1,CHEMBL563905,7.9
+CCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1,CHEMBL551395,7.28
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1,CHEMBL549633,6.6
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1,CHEMBL561520,6.7
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1,CHEMBL549494,7.84
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(F)cc3C)cn2)cn1,CHEMBL563771,8.03
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(C)cccc3C)cn2)cn1,CHEMBL550244,8.23
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3c(F)ccc(F)c3Cl)cn2)cn1,CHEMBL565189,8.06
+COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1,CHEMBL563613,7.43
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1,CHEMBL592250,6.94
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3C)CC2)cn1,CHEMBL592493,8.27
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1,CHEMBL592494,8.38
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3cccc(F)c3C)CC2)cn1,CHEMBL602545,8.59
+COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1,CHEMBL606976,9.4
+COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1,CHEMBL592495,8.66
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1,CHEMBL603205,6.77
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1,CHEMBL592731,7.44
+COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1,CHEMBL591310,7.5
+COCc1nnc(N2CC[C@@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1,CHEMBL590097,7.55
+COCc1nnc(N2CC[C@@H](Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1,CHEMBL592732,7.75
+COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1,CHEMBL609848,8.24
+COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1,CHEMBL592733,6.68
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1,CHEMBL594361,6.52
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1,CHEMBL590099,7.26
+COCc1nnc(N2CC(Oc3ccccc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL590349,7.49
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1,CHEMBL589125,7.55
+COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1,CHEMBL594591,7.76
+COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1,CHEMBL602641,7.4
+COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1,CHEMBL589128,7.74
+COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL594828,8.02
+Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1,CHEMBL602872,6.95
+Cc1cc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL601930,6.61
+Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL590175,5.6
+Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1,CHEMBL602671,6.07
+O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1,CHEMBL603708,7.04
+Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1,CHEMBL601931,7.77
+Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1,CHEMBL605373,7.56
+COc1ccc(N(C)C(=O)N2CC(Oc3cccc(F)c3C)C2)cn1,CHEMBL1092497,6.8
+COc1ccc(N(C)C(=O)N2CC(Oc3cc(F)cc(F)c3C)C2)cn1,CHEMBL1092498,6.63
+COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3C)C2)cn1,CHEMBL1092499,6.95
+COc1ccc(N(C)C(=O)N2CC(Oc3ccc(F)cc3Cl)C2)cn1,CHEMBL1090417,7.17
+CCN(C(=O)N1CC(Oc2cc(F)cc(F)c2C)C1)c1ccc(OC)nc1,CHEMBL1093744,7.44
+CCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1,CHEMBL1077300,7.86
+CCN(C(=O)N1CC(Oc2ccc(F)cc2Cl)C1)c1ccc(OC)nc1,CHEMBL1094049,7.32
+CCN(C(=O)N1CC(Oc2ccc(F)cc2C)C1)c1ccc(OC)nc1,CHEMBL1094050,7.37
+COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)cc(F)c3C)C2)cn1,CHEMBL1091817,7.38
+COc1ccc(-n2c(C)nnc2N2CC(Oc3cccc(F)c3C)C2)cn1,CHEMBL1089391,7.71
+COc1ccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)cn1,CHEMBL1092098,7.05
+COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1,CHEMBL1089682,7.04
+CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1,CHEMBL1089025,6.89
+COc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1,CHEMBL1089026,6.82
+COCCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1,CHEMBL1093365,6.94
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+CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(O)c2)CC1,CHEMBL2017980,7.11
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+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1-c1ccccc1,CHEMBL2035015,7.4
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1OC(F)(F)F,CHEMBL2035014,7.4
+COc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C,CHEMBL2035013,7.5
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1C(F)(F)F,CHEMBL2035012,7.5
+CCc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C,CHEMBL2035011,7.8
+Cc1ccccc1[C@H](C(=O)NC(C)C)N1C(=O)[C@@H](C2Cc3ccccc3C2)NC(=O)[C@H]1CC(C)C,CHEMBL2035010,8.1
+CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1Cl,CHEMBL2035009,8.4
+CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21,CHEMBL2172290,6.09
+CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21,CHEMBL2172289,6.74
+O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1,CHEMBL2172288,6.18
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7C)cc6)c6ccccc65)nn4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2172293,6.31
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc54)nn3)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2172292,6.51
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1,CHEMBL420762,6.18
+Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1,CHEMBL119793,7.52
+CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C,CHEMBL2391300,8.28
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,7.82
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL439044,9.48
+O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12,CHEMBL3416861,5.12
+COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1,CHEMBL3765356,5.13
+Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2,CHEMBL3763823,5.08
+COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1,CHEMBL3763951,6.1
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814395,8.26
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814165,8.17
+CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C,CHEMBL3814126,6.95
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814617,7.5
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3813894,8.98
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814744,9.01
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814633,8.88
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814232,7.01
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3813858,7.16
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3814120,7.47
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3813722,7.97
+CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,CHEMBL3815099,8.43
diff --git a/chembl_200/CHEMBL205.csv b/chembl_200/CHEMBL205.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9ad2d917f394fddeb4f926ac6ef18e082507a771
--- /dev/null
+++ b/chembl_200/CHEMBL205.csv
@@ -0,0 +1,3809 @@
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL69149,8.82
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51668,8.3
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]cc(Cl)c23)cc1,CHEMBL71000,7.82
+CC(C)CN[C@@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2092887,7.15
+CC(C)CN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL1204135,9.19
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC[C@H]2O,CHEMBL1788205,7.805
+CNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL545245,8.64
+CCN[C@@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2092885,7.8
+CCCNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL543604,8.96
+NC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL554091,8.43
+CCN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL1788291,9.09
+CCNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL545239,9.16
+CCN(CC)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL555182,8.03
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC[C@@H]2O,CHEMBL2092886,8.19
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2O,CHEMBL314569,8.125
+CCCCNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL554854,8.74
+NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1,CHEMBL105080,8.91
+COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1,CHEMBL103143,8.59
+NS(=O)(=O)c1cc2cc(CNCc3ccccn3)sc2o1,CHEMBL101371,8.09
+COCCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1,CHEMBL103255,8.44
+NS(=O)(=O)c1cc2cc(CNCCF)sc2o1,CHEMBL101370,8.47
+CCNCc1cc2cc(S(N)(=O)=O)oc2s1,CHEMBL103621,7.72
+CNCc1cc2cc(S(N)(=O)=O)oc2s1,CHEMBL103087,7.49
+CC(C)CNCc1cc2cc(S(N)(=O)=O)oc2s1,CHEMBL105713,8.13
+CN(C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O,CHEMBL541089,7.46
+NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1,CHEMBL555153,8.84
+CN(C)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O,CHEMBL553909,8.47
+CC(C)CNCc1cccc(C(=O)c2csc(S(N)(=O)=O)c2)c1,CHEMBL555186,7.84
+NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1,CHEMBL341530,8.1
+CCN(CC)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O,CHEMBL538536,8.4
+NS(=O)(=O)c1cc(C(=O)c2cccc(CN3CCOCC3)c2)cs1,CHEMBL555355,7.97
+CC(C)CNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1,CHEMBL543415,8.19
+NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1,CHEMBL545756,8.48
+CCN(CC)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O,CHEMBL542219,7.73
+CC(C)CNCc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1,CHEMBL555588,7.68
+NS(=O)(=O)c1cc2c(s1)C(O)CCS2=O,CHEMBL155152,6.51
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2,CHEMBL333193,8.48
+NS(=O)(=O)c1cc2c(s1)CC(O)CS2(=O)=O,CHEMBL155420,7.74
+NS(=O)(=O)c1cc2c(s1)C(O)CCS2(=O)=O,CHEMBL347369,7.52
+NS(=O)(=O)c1cc2c(s1)SCCC2=O,CHEMBL158261,8.44
+NS(=O)(=O)c1cc2c(s1)SCCC2O,CHEMBL158026,7.55
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC(O)C2,CHEMBL348573,8.15
+NS(=O)(=O)c1cc2c(s1)C(=O)CCS2(=O)=O,CHEMBL158090,7.85
+NS(=O)(=O)c1cc2c(s1)C(=O)CCS2,CHEMBL120418,8.94
+NS(=O)(=O)c1cc2c(s1)C(O)CCS2,CHEMBL352218,7.85
+NS(=O)(=O)c1cc2c(s1)S(=O)CCC2O,CHEMBL158363,6.98
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCN2,CHEMBL310903,8.47
+COCCOCCN(CCOC)CCC1C(=O)Nc2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL80060,8.38
+COCCOCCN(CCOC)CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL311263,8.38
+NS(=O)(=O)c1cc2c(s1)S(O)=CC(=O)N2,CHEMBL83820,7.74
+NS(=O)(=O)c1cc2c(s1)SCC(=O)N2,CHEMBL310152,7.62
+COCCOCCN(CCOC)C(=O)CC1C(=O)Nc2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL309950,8.44
+COCCN(CCOC)CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL309870,9.01
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC(=O)N2,CHEMBL81148,8.54
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C1(CC1)CN2,CHEMBL79368,7.96
+CC(C)CNC(=O)CC1Sc2sc(S(N)(=O)=O)cc2NC1=O,CHEMBL541211,8.1
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCO)CN2,CHEMBL310280,8.92
+NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCN1CCOCC1)CN2,CHEMBL79939,8.35
+NS(=O)(=O)c1cc2c(s1)SC(CCO)CN2,CHEMBL79474,6.96
+CC(C)CNCCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL83497,8.39
+CC(C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)C(C)C=O,CHEMBL542122,8.83
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+CS(=O)(=O)CCNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL539258,8.32
+COCCNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL544030,8.41
+COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL554425,8.87
+CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1,CHEMBL543792,8.57
+NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2s1,CHEMBL540026,8.96
+CNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL555385,7.68
+NS(=O)(=O)c1cc2cc(CN(CCO)CCO)sc2s1,CHEMBL554042,8.59
+CNCc1cc2sc(S(N)(=O)=O)cc2s1,CHEMBL552892,7.93
+COCCNCc1cc2sc(S(N)(=O)=O)cc2s1,CHEMBL556132,8.51
+NS(=O)(=O)c1cc2cc(C(=O)NCC(O)CO)sc2s1,CHEMBL51975,8.47
+CC(C)CNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL538245,8.36
+COCCOCCN(CCOC)C(C)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL543319,8.81
+NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1,CHEMBL555543,9.36
+NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCSCC3)sc2s1,CHEMBL544731,8.4
+COCCN(CCOC)Cc1cc2sc(S(N)(=O)=O)cc2s1,CHEMBL544738,9.02
+NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1,CHEMBL545431,8.2
+NS(=O)(=O)c1cc2cc(CN3CCS(=O)CC3)sc2s1,CHEMBL52944,8.47
+CS(=O)CCNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL553217,8.26
+NS(=O)(=O)c1cc2cc(CNCC3CC3)sc2s1,CHEMBL553951,8.17
+COCCOCCN(CCOC)C(Cc1ccc(F)cc1)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL50395,8.18
+CN(C)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL555889,7.96
+NS(=O)(=O)c1cc2cc(C(=O)N(CCO)CCO)sc2s1,CHEMBL51097,8.05
+COCCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL543559,8.8
+CS(=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL53964,8.62
+CSCCNCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL544970,8.72
+NS(=O)(=O)c1cc2cc(CNCCF)sc2s1,CHEMBL544032,8.7
+CC(C)(C)NCc1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL539259,7.43
+CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL276679,7.82
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,7.68
+CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12,CHEMBL425287,6.63
+NS(=O)(=O)C(F)(F)F,CHEMBL67511,8.7
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,4.68
+NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL120304,8.1
+COCCOCCN(CCOC)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL120046,8.8
+NS(=O)(=O)c1cc2cc(N3CCOCC3)sc2s1,CHEMBL333520,8.96
+NS(=O)(=O)c1cc2cc(N3CCSCC3)sc2s1,CHEMBL333281,9.36
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1,CHEMBL417648,6.88
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL23684,8.0
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL23796,7.31
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1,CHEMBL23681,7.55
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL23922,8.05
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL278603,8.96
+NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL23174,8.0
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL687,6.61
+CC(C)(C)C(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL23579,8.025
+NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1,CHEMBL279246,6.98
+NS(=O)(=O)c1nnc(NC(=O)CCCCC(F)(F)C(F)(F)F)s1,CHEMBL286004,8.7
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL22540,8.76
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,CHEMBL22374,7.12
+CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23417,6.59
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+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCCCC(F)(F)C(F)(F)F,CHEMBL24473,8.82
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+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL23435,8.945
+CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL278395,6.63
+CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23058,7.2
+NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL23967,7.89
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL282021,8.515
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL278295,7.89
+CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23591,6.64
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL23559,7.43
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+NS(=O)(=O)c1ccc(/N=C\c2ncc[nH]2)cc1,CHEMBL24121,6.92
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL23377,7.12
+CCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL283097,6.67
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+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccco1,CHEMBL282266,8.22
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1,CHEMBL76956,7.68
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL94341,8.85
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL306118,7.82
+NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL94551,7.52
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+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL265534,7.92
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL94746,7.02
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+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL313873,7.1
+NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL317890,8.44
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1,CHEMBL75620,7.08
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+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F,CHEMBL75747,7.42
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+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC(=O)O)CC(=O)O)cc2s1,CHEMBL289401,8.3
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+NS(=O)(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)c(F)c1,CHEMBL34371,7.28
+NS(=O)(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)c(Cl)c1,CHEMBL34012,7.09
+NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL415466,9.1
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+NS(=O)(=O)c1ccc(NNC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL34147,6.58
+NS(=O)(=O)c1ccccc1NC(=O)CNCC(=O)O,CHEMBL35595,6.55
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CC(=O)O)CC(=O)OCCOc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)cc2s1,CHEMBL35593,9.0
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCCNCC(=O)O)c(Cl)c1Cl,CHEMBL36451,7.62
+NS(=O)(=O)c1ccc(NNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL34829,6.51
+NS(=O)(=O)c1cccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)c1,CHEMBL286666,6.71
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCC(=O)O)c(Cl)c1Cl,CHEMBL33088,7.62
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)c(Cl)c1,CHEMBL35746,7.28
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC(=O)O)cc1Cl,CHEMBL416221,7.62
+NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL35227,9.0
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(=O)O)c2ccccc2O)c2ccccc2O)c1,CHEMBL35410,6.63
+NS(=O)(=O)c1ccc(NNC(=O)CN(CCN(CC(=O)O)c2ccccc2O)c2ccccc2O)cc1,CHEMBL417321,6.51
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(=O)O)c2ccccc2O)c2ccccc2O)cc1,CHEMBL284118,7.16
+Nc1cccc(S(N)(=O)=O)c1,CHEMBL6852,6.562
+NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL36283,7.1
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(F)c1,CHEMBL32732,7.89
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC(=O)O)CC(=O)O)c1,CHEMBL287145,6.9270000000000005
+NS(=O)(=O)c1ccc(NC(=O)CNCCNCC(=O)O)c(I)c1,CHEMBL417497,7.3
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(=O)O)c2ccccc2O)c2ccccc2O)cc1,CHEMBL34582,7.21
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCN(CC(=O)O)c1ccccc1O)c1ccccc1O,CHEMBL35503,7.89
+Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL6853,7.22
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL34852,9.22
+NS(=O)(=O)c1nc2ccc(OC(=O)CNCC(=O)O)cc2s1,CHEMBL36334,8.3
+NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)c(F)c1,CHEMBL35805,7.77
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC(=O)O)cc1Cl,CHEMBL262650,7.89
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Oc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)CC(=O)O)cc2s1,CHEMBL408856,9.247
+NS(=O)(=O)c1ccc(CCOC(=O)CNCC(=O)O)cc1,CHEMBL286587,7.01
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)c(Br)c1,CHEMBL286338,7.6
+NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)CC(=O)O)c(F)c1,CHEMBL285590,8.15
+NS(=O)(=O)c1ccc(CCOC(=O)CN(CCN(CC(=O)O)c2ccccc2O)c2ccccc2O)cc1,CHEMBL35484,7.03
+NS(=O)(=O)c1ccc(COC(=O)CNCC(=O)O)cc1,CHEMBL35189,6.96
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+Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL269628,7.5
+NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL13646,8.546
+NS(=O)(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)c(Br)c1,CHEMBL36253,7.44
+NS(=O)(=O)c1ccc(NNC(=O)CNCCNCC(=O)O)cc1,CHEMBL284481,6.5
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)O,CHEMBL35272,8.96
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL34703,7.52
+NS(=O)(=O)c1ccc(CCOC(=O)CNCCNCC(=O)O)cc1,CHEMBL286999,7.02
+NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL34710,8.52
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,CHEMBL35710,8.05
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CC(=O)O)CC(=O)O)cc2s1,CHEMBL37730,8.22
+NS(=O)(=O)c1ccc(COC(=O)CN(CC(=O)O)CC(=O)O)cc1,CHEMBL285408,6.99
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL34317,9.1
+NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)s1,CHEMBL34314,8.7
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCC(=O)O)cc1Cl,CHEMBL285531,7.16
+NS(=O)(=O)c1nnc(NC(=O)CNCC(=O)O)s1,CHEMBL34770,7.3
+NS(=O)(=O)c1ccc(COC(=O)CNCCNCC(=O)O)cc1,CHEMBL36567,6.97
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(Cl)c1Cl,CHEMBL284617,8.0
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+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(Cl)c1Cl,CHEMBL34354,7.59
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CC(=O)O)CC(=O)O)s1,CHEMBL35421,8.7
+NS(=O)(=O)c1cccc(NC(=O)CNCCNCC(=O)O)c1,CHEMBL36003,6.63
+NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)CC(=O)O)c(Cl)c1,CHEMBL35551,8.05
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(=O)O)c3ccccc3O)c3ccccc3O)cc2s1,CHEMBL34782,8.4
+NS(=O)(=O)c1ccc(CNC(=O)CNCC(=O)O)cc1,CHEMBL34471,6.9
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+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137755,7.59
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138145,7.3
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137799,7.46
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137750,6.68
+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138140,7.02
+C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3138364,6.55
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3138172,7.38
+C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137756,6.57
+C[C@H](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138367,7.39
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138500,7.96
+C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138422,6.61
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138168,7.33
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138162,7.68
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137805,8.05
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138142,7.82
+C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138495,7.28
+C[C@H](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137787,7.11
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138158,7.77
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137777,8.68
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138385,8.0
+C[C@H](CCC(=O)OCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137774,7.12
+C[C@H](CCC(=O)NNc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138161,6.59
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1I)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138164,8.0
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1I)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137778,7.26
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137810,8.28
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137760,7.15
+C[C@H](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138373,7.07
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137795,8.52
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138426,8.7
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137792,7.51
+C[C@H](CCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138144,9.22
+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138170,7.24
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138174,9.1
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1I)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137751,7.28
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138167,7.1
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138418,7.21
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137794,8.0
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137807,7.96
+C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL2113371,9.0
+C[C@H](CCC(=O)NNc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138143,6.5
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137770,6.68
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137804,7.77
+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137779,7.1
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138175,6.8
+CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NNS(N)(=O)=O)O[C@@H]1OC(C)(C)O[C@H]21,CHEMBL169685,4.82
+CC1(C)O[C@@H]2O[C@@H](C(=O)NS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL168447,4.6
+CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL354981,4.89
+CC1(C)OC[C@@H]2O[C@@]3(C(=O)NNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL166696,4.68
+CC1(C)OC[C@@H]2O[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL354527,7.15
+CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL355167,7.62
+CC1(C)OC[C@@H]2O[C@@]3(C(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL170725,7.17
+NS(=O)(=O)N1CCCCC1,CHEMBL169370,6.83
+NS(=O)(=O)NC1CCCCC1,CHEMBL352592,6.35
+N#Cc1ccc(NS(N)(=O)=O)cc1,CHEMBL166340,7.8
+NS(=O)(=O)Nc1ccc2ccccc2c1,CHEMBL168910,7.44
+NS(=O)(=O)Nc1ccc(O)cc1,CHEMBL353767,7.92
+NS(=O)(=O)Nc1ccc(Br)cc1,CHEMBL166686,7.66
+CCOC(=O)c1ccc(NS(N)(=O)=O)cc1,CHEMBL166708,7.72
+NS(=O)(=O)NCc1ccccc1,CHEMBL168526,6.915
+NS(=O)(=O)N1CCCCCC1,CHEMBL165939,6.88
+NS(=O)(=O)NCCSSCCNS(N)(=O)=O,CHEMBL444608,7.57
+CCCCNS(N)(=O)=O,CHEMBL170015,6.83
+NS(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL168898,7.31
+CN(C)c1ccc(NS(N)(=O)=O)cc1,CHEMBL354323,7.68
+NS(=O)(=O)Nc1ccc(I)cc1,CHEMBL166446,7.77
+NS(=O)(=O)Nc1ccc(C(F)(F)F)cc1,CHEMBL167179,8.15
+NS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL169486,7.49
+NS(=O)(=O)NC1C2CC3CC(C2)CC1C3,CHEMBL355555,6.05
+NS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1,CHEMBL355349,6.19
+Cc1ccc(NS(N)(=O)=O)cc1,CHEMBL168511,7.89
+NS(=O)(=O)Nc1ccc(Cl)cc1,CHEMBL167048,7.82
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL108971,7.987
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4C=CC(C4)C3C(=O)O)cc2)s1,CHEMBL111216,8.82
+CCCC(CCC)C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326036,8.15
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1,CHEMBL108502,8.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1,CHEMBL108982,8.3
+CCCC(CCC)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL419188,7.15
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL111360,7.44
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL107989,7.3
+Cc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL108380,8.4
+CCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326240,8.15
+CCCC(CCC)C(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL109153,6.66
+CCCC(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL432626,7.02
+CCCC(CCC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL111245,7.08
+CCCC(CCC)C(=O)OCCc1ccc(S(N)(=O)=O)cc1,CHEMBL419006,6.07
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL108389,7.35
+CCCC(CCC)C(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL419553,8.0
+CC(C)(C)OC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL322589,8.05
+CCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL320711,8.22
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL109142,7.37
+COc1cc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc(OC)c1OC,CHEMBL111336,8.0
+CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL111504,8.05
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL111074,6.62
+CCCC(CCC)C(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL324906,7.59
+CCCC(CCC)C(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL108381,8.15
+CCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1,CHEMBL107722,6.94
+Cc1ccc(S(=O)(=O)NC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL109151,8.4
+CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL325321,6.59
+CCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL322581,6.52
+NS(=O)(=O)c1cc2c(s1)SC(CC(=O)O)C(=O)N2,CHEMBL312006,7.32
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL431742,7.38
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL51385,7.07
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL13929,7.45
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)ccc1Cl,CHEMBL50045,7.3
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)O)ccc1Cl,CHEMBL48697,6.35
+NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL50195,6.52
+NC(=O)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL299160,7.12
+NS(=O)(=O)c1ccc(C(=O)NCCCC(=O)O)cc1,CHEMBL418085,7.14
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL50481,6.96
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL54235,8.0
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL300020,7.44
+NS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(=S)s2)ccc1Cl,CHEMBL53407,7.96
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL50446,7.1
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51787,6.52
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL49062,7.28
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL53135,6.92
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51725,6.38
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)O)cc1,CHEMBL51534,7.07
+NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1,CHEMBL49182,7.44
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL52375,7.36
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL50365,7.55
+CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL301071,6.55
+C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51143,6.28
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCC(=O)O,CHEMBL298755,7.29
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL295343,7.52
+NC(=O)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL295779,6.56
+NS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)ccc1Cl,CHEMBL51437,6.4
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)ccc1Cl,CHEMBL445615,7.21
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL298110,8.05
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL296390,7.92
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl,CHEMBL2113715,6.8
+CSCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL300436,7.18
+CC(C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51575,6.48
+NS(=O)(=O)c1cc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)ccc1Cl,CHEMBL51456,6.62
+NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)cc1,CHEMBL51719,7.68
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL50921,7.14
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL50776,7.8
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)O)ccc1Cl,CHEMBL51416,6.54
+NS(=O)(=O)c1cc(C(=O)NCC(=O)O)ccc1Cl,CHEMBL297892,6.35
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL299744,6.6
+CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL2113714,7.32
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL300265,7.4
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL53972,7.28
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CS)C(=O)O)ccc1Cl,CHEMBL51517,6.31
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1Cl,CHEMBL50881,6.52
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1Cl,CHEMBL48857,6.47
+NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL49974,7.37
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL53607,7.59
+NS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL48292,8.52
+NS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL50000,8.3
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL50897,7.13
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL52227,8.0
+CSCC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51213,6.39
+NC(=O)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51200,7.14
+NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC(=O)O)ccc1Cl,CHEMBL51455,7.07
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)s1,CHEMBL50128,8.0
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL417728,7.35
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL52550,7.42
+CC(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51586,7.13
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL51346,8.05
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51506,8.15
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL297706,6.68
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1Cl,CHEMBL52542,6.6
+C[C@@H](O)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL298132,6.94
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL306510,7.77
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL73050,6.85
+CCC[C@@H]1C[C@H](NCC)c2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL415964,9.77
+CCN[C@H]1C[C@H](CC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL9688,9.52
+CCN[C@H]1C[C@@H](CC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL9660,9.0
+CN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL273822,8.73
+CCC[C@H]1C[C@H](NCC)c2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL273599,9.85
+C[C@H]1C[C@H](N)c2cc(S(N)(=O)=O)sc2S1(=O)=O,CHEMBL475,8.82
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1,CHEMBL158827,7.35
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(F)c1,CHEMBL351044,7.52
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1,CHEMBL161438,8.7
+NS(=O)(=O)c1nnc(NC(=O)CCNCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161032,8.7
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL158693,9.3
+NS(=O)(=O)c1n[nH]c(=NN2C(=O)c3cccnc3C2=O)s1,CHEMBL161205,8.1
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)cc1Cl,CHEMBL161371,7.92
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Br)c1,CHEMBL347252,7.48
+NS(=O)(=O)c1cccc(NCc2cc(=O)oc3cc(Cl)ccc23)c1,CHEMBL351692,6.6
+NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL161802,6.84
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)c1,CHEMBL161658,8.22
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(I)c1,CHEMBL348978,7.44
+Cn1nc(S(N)(=O)=O)s/c1=N\Cc1cc(=O)oc2cc(Cl)ccc12,CHEMBL161443,8.22
+NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL162021,6.56
+NS(=O)(=O)c1ccccc1NCc1cc(=O)oc2cc(Cl)ccc12,CHEMBL158660,6.57
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1Cl,CHEMBL434860,7.74
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)cc1,CHEMBL345585,8.52
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350327,6.9
+NS(=O)(=O)c1ccc(CCNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350430,6.92
+NS(=O)(=O)c1nnc(NCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161560,8.15
+CCN(Cc1cc(=O)oc2cc(Cl)ccc12)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL348997,8.1
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2112277,7.64
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL2111554,7.74
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2111556,7.82
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2114130,7.6
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1,CHEMBL1089967,7.84
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2112278,8.0
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1,CHEMBL1089637,7.86
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@@H]1O,CHEMBL2111555,7.85
+Nc1c(Br)cc(S(N)(=O)=O)cc1Br,CHEMBL306195,7.14
+Nc1c(I)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL68506,9.05
+Nc1c(F)cc(S(N)(=O)=O)cc1Cl,CHEMBL70873,7.49
+Nc1c(F)cc(S(N)(=O)=O)cc1I,CHEMBL69813,7.54
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL68639,9.1
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL69229,9.3
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl,CHEMBL70020,7.3
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL302706,9.3
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL303905,8.77
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL304322,7.54
+Nc1c(Cl)cc(S(N)(=O)=O)cc1I,CHEMBL68605,7.21
+Nc1c(I)cc(S(N)(=O)=O)cc1I,CHEMBL67755,6.91
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL69347,7.6
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,9.52
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL305488,9.22
+Nc1c(Br)cc(S(N)(=O)=O)cc1I,CHEMBL430600,6.97
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL441054,7.33
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL71657,9.22
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL307698,9.22
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL304757,9.7
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL304973,9.22
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL308459,7.13
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Br,CHEMBL430810,7.27
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL308677,9.52
+Nc1c(F)cc(S(N)(=O)=O)cc1Br,CHEMBL303648,7.48
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL306832,9.1
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL70524,9.15
+NS(=O)(=O)NS(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL120775,8.0
+O=S(=O)(O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL440336,5.92
+C/C(=N/S(N)(=O)=O)c1ccc(N(C)C)cc1,CHEMBL118215,7.7
+O=C(NS(=O)(=O)O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL118272,6.05
+NS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL331072,7.7
+NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL334013,8.0
+NS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1,CHEMBL327669,6.59
+NS(=O)(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,CHEMBL86751,6.6
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)cc1Cl,CHEMBL88519,8.05
+NS(=O)(=O)c1nnc(N2C(=O)c3cccnc3C2=O)s1,CHEMBL88232,8.1
+NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1,CHEMBL90382,8.52
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1,CHEMBL90218,7.6
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1,CHEMBL330346,6.88
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl,CHEMBL432818,7.92
+NS(=O)(=O)c1nc2ccc(N3C(=O)c4cccnc4C3=O)cc2s1,CHEMBL420610,8.4
+NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL314929,8.52
+NS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1,CHEMBL91420,6.56
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1,CHEMBL315592,7.36
+NS(=O)(=O)c1ccccc1N1C(=O)c2cccnc2C1=O,CHEMBL313123,6.55
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1,CHEMBL86428,7.52
+NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL313925,8.7
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(I)c1,CHEMBL327933,7.48
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl,CHEMBL328946,8.05
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL316037,8.7
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(F)c1,CHEMBL88120,8.0
+NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL315661,7.44
+NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL88860,8.15
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1,CHEMBL89455,7.38
+NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,CHEMBL88173,8.05
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Br)c1,CHEMBL316140,7.51
+NS(=O)(=O)c1nnc(NC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL85079,8.22
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1,CHEMBL88969,7.51
+NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL89163,8.52
+NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL280071,7.7
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1cccc(C(=O)O)n1,CHEMBL85120,8.15
+CCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL313770,8.3
+NS(=O)(=O)c1ccc(CCONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL89945,7.82
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1Cl,CHEMBL89634,8.0
+NS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL327604,6.57
+NS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1,CHEMBL92116,6.62
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL90492,6.92
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1,CHEMBL87141,8.1
+NS(=O)(=O)c1cccc2cccnc12,CHEMBL268809,6.9
+NS(=O)(=O)c1cccc2ccccc12,CHEMBL6648,6.88
+Nc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL6946,7.3
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,7.82
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,7.74
+O=S(=O)(NO)C(F)(F)F,CHEMBL331308,7.52
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,7.82
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,7.72
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,8.05
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,9.05
+O=S(=O)(NO)C(Cl)(Cl)Cl,CHEMBL124237,6.82
+CN(C)S(=O)(=O)NO,CHEMBL330950,7.4
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,7.44
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,7.8
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,7.25
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,8.05
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,7.42
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,8.3
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,7.43
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,7.49
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,7.68
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,9.1
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,6.92
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,7.13
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,6.92
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,6.72
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,8.1
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,7.46
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,7.36
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,6.97
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,7.15
+CS(=O)(=O)NO,CHEMBL98328,8.33
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,6.97
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,7.59
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,8.1
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,7.07
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,6.93
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,7.21
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,7.29
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,7.41
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,7.0
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL306726,6.8
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,8.96
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,8.3
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,6.77
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,7.35
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,6.94
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,7.54
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,7.74
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,8.4
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,7.96
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,7.04
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,7.96
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,7.89
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,8.3
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL148167,9.0
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1,CHEMBL358290,7.38
+NS(=O)(=O)c1ccc(NC(=S)NCCc2cnc[nH]2)cc1,CHEMBL148426,7.48
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)O)cc1,CHEMBL144766,7.89
+NS(=O)(=O)c1ccc(NC(=S)NC(CCC(=O)O)C(=O)O)cc1,CHEMBL356059,8.0
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL144970,7.96
+CC(O)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144186,8.4
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144982,7.92
+NS(=O)(=O)c1ccc(NC(=S)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL2370954,8.52
+NC(=O)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144006,8.22
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL344132,8.3
+CCC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL147385,8.4
+NS(=O)(=O)c1ccc(NC(=S)NCc2ccccn2)cc1,CHEMBL144667,7.35
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL144122,8.22
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(C(=O)O)c2)cc1,CHEMBL344316,7.74
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O,CHEMBL148387,8.4
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)O)cc1,CHEMBL147726,8.1
+NS(=O)(=O)c1ccc(NC(=S)NC(CO)C(=O)O)cc1,CHEMBL148069,8.52
+NS(=O)(=O)c1ccc(NC(=S)N2CCCC2C(=O)O)cc1,CHEMBL144537,7.6
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)O)cc1,CHEMBL421940,7.96
+CSCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357601,8.4
+NC(=O)CCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL421767,8.05
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)NCC(=O)O)cc1,CHEMBL342088,7.82
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL144786,8.3
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL145256,7.8
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)O)cc1,CHEMBL356322,7.7
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL342050,8.3
+NS(=O)(=O)c1ccc(NC(=S)NCCCC(=O)O)cc1,CHEMBL144322,7.96
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)cc1,CHEMBL357388,7.82
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL3143261,8.0
+NCCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357475,7.92
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144352,8.52
+CC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL146887,8.3
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)c2ccccc2)cc1,CHEMBL144383,8.22
+NS(=O)(=O)c1ccc(NC(=S)NC(CS)C(=O)O)cc1,CHEMBL144716,8.3
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL143992,8.15
+NS(=O)(=O)c1ccc(N=C=S)cc1,CHEMBL144818,6.73
+N=C(N)NCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL344757,7.82
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)C(O)c2ccccc2)cc1,CHEMBL144946,8.7
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144301,8.3
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL143891,8.52
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccn2)cc1,CHEMBL143033,7.4
+CCNC1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CNC)cc21,CHEMBL341002,8.52
+CN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=N)N,CHEMBL123108,8.4
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)C(=N)N,CHEMBL123398,8.1
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL125776,7.55
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL122573,7.44
+CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C(=N)N,CHEMBL123065,8.15
+CNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL332222,8.3
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123535,7.21
+CNCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL121662,7.85
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1)C(=N)N,CHEMBL330755,8.52
+CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122817,7.52
+CN(CC(=O)NNc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL123066,6.72
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122870,7.44
+NCC(=O)NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL332221,8.52
+CNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL124224,7.49
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CNC(=O)CN,CHEMBL123047,8.15
+NCC(=O)NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122781,8.22
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL125338,8.1
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL121782,8.05
+NCC(=O)NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122280,6.61
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122961,7.42
+NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122749,8.0
+NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122336,7.14
+NCC(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122074,8.05
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL123827,8.0
+CCN(C(=O)CN(C)C(=N)N)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112600,8.7
+CN(CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)C(=N)N,CHEMBL333692,8.22
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=N)N,CHEMBL331738,8.0
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL122484,6.91
+CNCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL331932,6.74
+CN(CC(=O)Nc1ccccc1S(N)(=O)=O)C(=N)N,CHEMBL121927,6.73
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)C(=N)N,CHEMBL332225,7.57
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL126179,8.3
+NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122249,7.4
+NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL121393,8.05
+CNCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL123652,7.48
+NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL334088,7.89
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122394,7.17
+CCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112602,8.22
+NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL331727,7.68
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL338513,7.89
+NCC(=O)NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL122767,6.7
+NCC(=O)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122839,7.44
+CNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1,CHEMBL123606,8.74
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL124165,6.95
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1)C(=N)N,CHEMBL419604,8.96
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL332744,7.96
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL125980,7.4
+NCC(=O)NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL124450,7.92
+CN(CC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1)C(=N)N,CHEMBL331697,8.89
+CCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112599,8.22
+CNCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122951,8.22
+CNCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL541990,8.4
+CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122730,7.52
+CN(CC(=O)NS(=O)(=O)c1ccc(CO)cc1)C(=N)N,CHEMBL123603,7.39
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL332586,6.94
+CNCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C,CHEMBL122444,8.22
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1)C(=N)N,CHEMBL122720,8.52
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1,CHEMBL332220,8.7
+CNCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL123599,8.52
+CN(CC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)C(=N)N,CHEMBL333033,7.89
+NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL122176,7.64
+NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340569,8.05
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL122926,8.1
+CN(CC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL122349,8.3
+NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332549,6.68
+NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122395,7.41
+NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122762,6.6
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL121726,7.52
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN,CHEMBL121364,8.0
+NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL331386,8.4
+CNCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332200,6.73
+CNCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122808,8.05
+NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122756,8.05
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL331331,7.92
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL124046,6.92
+CN(CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL332648,8.7
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL123877,7.39
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=N)N,CHEMBL332119,7.54
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1I)C(=N)N,CHEMBL124168,7.48
+CNCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL123982,6.71
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL331527,8.7
+NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL125376,6.7
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL123878,7.92
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL124399,7.35
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1,CHEMBL333874,8.52
+NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL122390,8.1
+CN(CC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=N)N,CHEMBL121696,7.82
+CNCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL121809,7.72
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL451190,8.7
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL125729,8.0
+CNCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL123539,8.52
+CNCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL121777,7.24
+CNCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123116,7.3
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1)C(=N)N,CHEMBL123482,8.1
+CN(CC(=O)NS(=O)(=O)c1ccc(CCO)cc1)C(=N)N,CHEMBL333954,7.4
+CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=N)N,CHEMBL121922,6.8
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(N)cc1,CHEMBL331083,9.22
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL122795,8.0
+NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL332527,7.19
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL122786,8.82
+NCC(=O)NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL331002,6.7
+NCC(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122838,7.46
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL122953,7.44
+NCC(=O)NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340503,8.05
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL76607,8.85
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,8.05
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL309431,8.85
+COCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL96020,8.51
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)O)c2)s1,CHEMBL97141,8.29
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95545,8.77
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL265261,8.7
+COCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL319110,8.54
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98389,8.82
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL418783,8.89
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL318028,8.54
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95943,8.66
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100266,8.68
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL95637,8.23
+COCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95421,8.48
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317807,8.7
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL328648,8.62
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1,CHEMBL329311,8.34
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCO)c2)s1,CHEMBL328633,8.51
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCO)cc2)s1,CHEMBL98877,8.54
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98146,8.85
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100329,8.77
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317383,8.72
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95264,8.74
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL99337,8.77
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL99257,8.8
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)OCCO)cc1,CHEMBL318820,8.4
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL98871,8.27
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)OCCO)c1,CHEMBL419329,8.28
+COCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL99927,8.55
+CCCCCOS(N)(=O)=O,CHEMBL358643,7.24
+C#CCCOS(N)(=O)=O,CHEMBL152967,5.23
+CCCCOS(N)(=O)=O,CHEMBL150652,7.15
+CCCCCCCCCCCOS(N)(=O)=O,CHEMBL356681,8.33
+CCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152907,7.06
+NS(=O)(=O)OCc1ccccc1,CHEMBL440912,8.47
+NS(=O)(=O)OCC1c2ccccc2-c2ccccc21,CHEMBL152994,5.35
+NS(=O)(=O)OC1CCCCC1,CHEMBL346866,7.22
+CCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152962,7.01
+CCOS(N)(=O)=O,CHEMBL149514,5.26
+CCCOS(N)(=O)=O,CHEMBL348471,6.12
+C[C@]12CCC3C(C(=O)C=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL422864,7.64
+CCCCCCCCCCCCOS(N)(=O)=O,CHEMBL153027,8.0
+Cc1ccc(COS(N)(=O)=O)cc1,CHEMBL154865,8.57
+C=CCCOS(N)(=O)=O,CHEMBL346884,6.05
+CCCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL450930,6.89
+NS(=O)(=O)OCC(F)(F)F,CHEMBL153068,6.07
+NS(=O)(=O)OCCc1ccccc1,CHEMBL436261,8.96
+NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F,CHEMBL357533,5.8
+NS(=O)(=O)OCCCCl,CHEMBL345493,6.24
+C[C@]12CCC3C(C1CCC2=O)[C@H](O)C=C1CC(OS(N)(=O)=O)CC[C@@]13C,CHEMBL345776,7.89
+COS(N)(=O)=O,CHEMBL150650,5.22
+CC1(C)OCC(C2OC3OC(C)(C)OC3[C@H]2OS(N)(=O)=O)O1,CHEMBL302593,7.82
+NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl,CHEMBL303942,6.86
+CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1,CHEMBL68257,7.12
+NS(=O)(=O)Oc1ccc(I)cc1,CHEMBL24120,8.42
+NS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1,CHEMBL69322,7.01
+CC(C)(C)c1ccc(OS(N)(=O)=O)cc1,CHEMBL69948,8.54
+NS(=O)(=O)Oc1ccc2ccccc2c1,CHEMBL67749,7.2
+NS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F,CHEMBL68536,6.95
+NS(=O)(=O)Oc1ccc(Cl)cc1,CHEMBL23350,8.96
+COc1ccc(OS(N)(=O)=O)cc1,CHEMBL71872,8.8
+CC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL68590,7.74
+CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2COS(N)(=O)=O,CHEMBL71549,7.54
+N#Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24119,6.83
+Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24210,8.72
+NS(=O)(=O)Oc1ccc(C(F)(F)F)cc1,CHEMBL303601,6.86
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL221802,8.3
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL220493,7.89
+C[C@]12CCC3C(CC=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL71371,7.57
+NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL23258,8.82
+NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1,CHEMBL417287,7.02
+NS(=O)(=O)Oc1ccc(Br)cc1,CHEMBL283121,8.82
+NS(=O)(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CHEMBL71873,6.9
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1,CHEMBL344055,7.68
+NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL138178,6.99
+NS(=O)(=O)c1ccc(NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138009,6.97
+NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140169,7.27
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Br)c1,CHEMBL138115,5.98
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL343332,6.82
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL264879,9.3
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL141868,8.7
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL140389,7.29
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141425,8.22
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138847,8.7
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138530,7.77
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL142541,7.77
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL140007,7.74
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL138253,9.52
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140110,9.7
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141898,8.52
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL342390,6.27
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL139946,8.7
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL138920,9.4
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL337771,7.92
+NS(=O)(=O)c1ccc(CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141618,6.39
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL141255,7.92
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1,CHEMBL138972,5.3
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)F)s1,CHEMBL140942,7.0
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL140391,7.8
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)F)n2)cc1,CHEMBL139649,7.6
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL141351,9.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL143294,7.82
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL139700,6.26
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL344887,7.14
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140306,8.1
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1,CHEMBL139668,8.52
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL344181,6.31
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL141408,6.9
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140933,7.16
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL140554,7.42
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL344888,7.49
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL140428,8.05
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL139563,6.81
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140481,9.15
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL265112,7.01
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL341600,6.36
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL341548,7.15
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1,CHEMBL336691,6.14
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL342668,6.77
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140221,6.82
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL335337,7.7
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL142132,9.52
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140692,7.46
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140792,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343048,8.82
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL344889,7.96
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141757,7.66
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL342146,7.01
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL138812,8.52
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL443483,7.17
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141052,7.26
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL343047,7.46
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344941,7.7
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)F)cc1,CHEMBL140975,4.83
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL140370,9.0
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL141309,6.82
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL343590,7.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL94836,9.52
+NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL343916,9.3
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1,CHEMBL139023,6.22
+NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL142142,7.26
+NS(=O)(=O)c1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL139939,8.3
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL342038,6.64
+NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140095,9.22
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)c(Cl)c1Cl,CHEMBL142067,6.37
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1,CHEMBL342485,7.64
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141753,9.3
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL336455,7.82
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL436573,7.82
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140116,6.96
+NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141562,7.8
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141756,8.52
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL140544,6.9
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL341760,8.7
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL139940,7.44
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)cc1Cl,CHEMBL140252,7.05
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL139539,7.7
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL344001,8.1
+NS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL141526,7.16
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141108,8.15
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140379,6.8
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140880,7.46
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140879,8.7
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL344034,8.7
+NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344056,7.21
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)F,CHEMBL140941,7.62
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL141478,6.19
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL343098,8.3
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL433685,7.02
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL342610,8.7
+NS(=O)(=O)c1nc2ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL337328,8.52
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL344382,8.7
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL140696,7.57
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)F,CHEMBL140973,4.69
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL139549,6.74
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141049,6.37
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL336483,7.29
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141899,9.3
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL343268,6.96
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140805,9.0
+NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL139763,7.4
+NS(=O)(=O)c1ccc(COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138309,6.26
+NS(=O)(=O)c1ccc(CCOC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344709,7.3
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)F)cc1,CHEMBL142078,5.29
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL342407,8.1
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL337369,8.7
+NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL337136,7.64
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL141028,4.96
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141130,8.4
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL342679,8.0
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL343944,7.96
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL422639,6.9
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL140791,8.52
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343046,8.7
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141410,7.7
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL422825,8.1
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344030,7.21
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL141363,7.68
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1,CHEMBL140938,4.73
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1,CHEMBL140486,6.3
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1,CHEMBL141346,7.89
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140446,6.6
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138603,8.82
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344861,7.27
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL336249,7.72
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL96361,7.82
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(I)c1,CHEMBL336247,5.89
+NS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140452,7.62
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL342622,8.0
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL141624,9.3
+NS(=O)(=O)c1nc2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141168,9.0
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140616,9.15
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344237,6.34
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL335353,6.12
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141965,7.22
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL342026,9.22
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL262561,8.3
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)F)cc1,CHEMBL140820,6.26
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL436400,6.41
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL344156,9.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140643,6.17
+COCCOCCNC(C)c1cc2cc(S(N)(=O)=O)sc2s1,CHEMBL553832,8.52
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(I)c1,CHEMBL407995,7.26
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)c1,CHEMBL13555,8.15
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1,CHEMBL418164,7.32
+Cn1nc(S(N)(=O)=O)s/c1=N/SC(=S)N1CCOCC1,CHEMBL276869,8.22
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL275565,9.3
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Cl)c1,CHEMBL13981,7.4
+NS(=O)(=O)c1cccc(NSC(=S)N2CCOCC2)c1,CHEMBL14039,6.82
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(F)c1,CHEMBL13966,7.48
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1,CHEMBL13614,8.85
+CCN(SC(=S)N1CCOCC1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL418163,8.22
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)cc1Cl,CHEMBL13410,7.82
+CCN(C)C(=S)SNCCc1ccc(S(N)(=O)=O)cc1,CHEMBL14198,7.96
+NS(=O)(=O)c1ccccc1NSC(=S)N1CCOCC1,CHEMBL13982,6.11
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)cc1,CHEMBL417986,8.52
+NS(=O)(=O)c1ccc(NNSC(=S)N2CCOCC2)cc1,CHEMBL13541,6.1
+NS(=O)(=O)c1n[nH]c(=NSC(=S)N2CCOCC2)s1,CHEMBL274895,8.22
+NS(=O)(=O)c1nnc(NC(=O)CCNSC(=S)N2CCOCC2)s1,CHEMBL13802,8.7
+CCN(C)C(=S)SNCc1ccc(S(N)(=O)=O)cc1,CHEMBL266387,7.89
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)c(Cl)c1Cl,CHEMBL275091,7.74
+CCN(C)C(=S)SNc1ccc(S(N)(=O)=O)cc1,CHEMBL13851,7.32
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)O)CC(=O)O,CHEMBL154106,8.82
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCCOc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)CC(=O)O)cc2s1,CHEMBL346691,9.3
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL191109,7.39
+NS(=O)(=O)c1ccc(CNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL372888,7.36
+NS(=O)(=O)c1ccc(CCNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL186522,7.35
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(F)c1,CHEMBL187974,7.33
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Cl)c1,CHEMBL366082,7.28
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Br)c1,CHEMBL187919,7.37
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(I)c1,CHEMBL187947,7.4
+NS(=O)(=O)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL188002,7.28
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)cc1,CHEMBL360604,7.47
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)s1,CHEMBL361496,7.57
+Cc1ncc(CO)c(CNc2nc(NCCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL193008,6.12
+CN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL190023,7.41
+CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL192834,7.48
+CN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL189523,7.46
+CCN(CC)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL191576,7.19
+CCN(CC)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL193178,7.21
+CCN(CC)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL440026,7.11
+CCCN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190538,7.41
+CCCN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190907,7.48
+CCCN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL189681,7.44
+NS(=O)(=O)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL372442,6.86
+NS(=O)(=O)c1ccc(CNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL366276,6.91
+NS(=O)(=O)c1ccc(CCNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL190464,7.08
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,7.49
+COC(=O)CNc1nc(Cl)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190733,7.48
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL190024,7.545
+Nc1nc(N)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL363874,7.8
+Nc1nc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364754,7.68
+NN=c1nc(NN)[nH]c(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190550,7.74
+NN=c1nc(NN)[nH]c(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190721,7.57
+NN=c1nc(NN)[nH]c(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371403,7.51
+CCNc1nc(NCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL191380,7.85
+CCNc1nc(NCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364919,7.64
+CC(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL366223,7.42
+CC(C)Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL191884,7.34
+CC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL189527,7.3
+CCCNc1nc(NCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL193513,7.31
+CCCNc1nc(NCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL434909,7.2
+CCCNc1nc(NCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL192950,7.08
+CCCCNc1nc(NCCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190531,6.84
+CCCCNc1nc(NCCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371632,6.76
+CCCCNc1nc(NCCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190056,6.79
+CCN(CC)CCNc1nc(NCCN(CC)CC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190278,6.67
+NS(=O)(=O)c1ccc(Nc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL190329,6.49
+NS(=O)(=O)c1ccc(CNc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL426625,6.47
+Cc1ncc(CO)c(CNc2nc(NCc3c(CO)cnc(C)c3O)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1O,CHEMBL365380,6.35
+Cc1ncc(CO)c(CNc2nc(NCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL192670,6.22
+CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]c1=S,CHEMBL370105,5.01
+COc1ccc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[nH]c2=S)cc1,CHEMBL370715,5.0
+Nc1n[nH]c(=S)s1,CHEMBL372507,5.04
+CC(=O)Nc1n[nH]c(=S)s1,CHEMBL382111,5.06
+O=C(Nc1n[nH]c(=S)s1)c1ccccn1,CHEMBL194016,4.99
+O=C(O)c1cccnc1C(=O)Nc1n[nH]c(=S)s1,CHEMBL195051,5.04
+O=C(Nc1n[nH]c(=S)s1)N(c1ccccc1)c1ccccc1,CHEMBL440031,5.03
+O=[N+]([O-])c1ccc(SNc2n[nH]c(=S)s2)cc1,CHEMBL193436,5.08
+CN(C)c1cccc2c(S(=O)(=O)Nc3n[nH]c(=S)s3)cccc12,CHEMBL193389,5.1
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(=S)s1,CHEMBL365326,5.04
+O=C(Nc1n[nH]c(=S)s1)NS(=O)(=O)Nc1n[nH]c(=S)s1,CHEMBL363820,5.09
+CCCCCCCCCCNS(=O)(=O)NO,CHEMBL193635,6.33
+CCCCCCCCCCCCNS(=O)(=O)NO,CHEMBL195370,7.05
+O=S(=O)(NO)NCc1ccccc1,CHEMBL193396,6.5
+O=S(=O)(NO)NCc1ccc(-c2ccccc2)cc1,CHEMBL370104,7.3
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL364081,8.09
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL362989,6.74
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195509,8.14
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195147,6.54
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193964,7.92
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL195811,6.66
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195194,7.99
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195978,6.56
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1,CHEMBL365344,6.19
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCc3ccccn3)cc2)cc1,CHEMBL196435,6.54
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL196198,7.34
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL196285,8.0
+Nc1ccc(S(=O)(=O)NC2NN=C(S(N)(=O)=O)S2)cc1,CHEMBL427312,8.7
+NS(=O)(=O)c1nc2ccccc2s1,CHEMBL168552,7.52
+NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1,CHEMBL360356,7.92
+NNc1ccccc1S(N)(=O)=O,CHEMBL176495,6.915
+NS(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL182723,7.82
+CNc1ccc(S(N)(=O)=O)cc1,CHEMBL174847,6.853
+CN(N)c1ccc(S(N)(=O)=O)cc1,CHEMBL183913,6.52
+CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL26,7.4
+C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189294,7.92
+NC(=O)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL361066,8.22
+NC(=O)CC[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189079,8.05
+CC[C@H](C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL361699,8.4
+CC(C)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL188512,8.3
+CSCC[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189346,8.4
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL366098,8.22
+NS(=O)(=O)c1ccc(NC(=S)N2CCC[C@H]2C(=O)O)cc1,CHEMBL189606,7.6
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL188191,7.96
+CC(C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL362337,8.3
+CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL362345,7.8
+CNC(=O)COC(=O)[C@H](CC(N)=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL366315,8.4
+CNC(=O)COC(=O)[C@H](CCC(N)=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL187896,7.96
+CC[C@H](C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC(=O)NC,CHEMBL185746,8.3
+CNC(=O)COC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL426803,8.15
+CNC(=O)COC(=O)[C@H](CCSC)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL361026,8.3
+CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL362892,8.1
+CNC(=O)COC(=O)[C@@H]1CCCN1C(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL365698,7.34
+CNC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL188774,7.7
+CNC(=O)COC(=O)[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL189297,8.3
+[CH+]=NO,CHEMBL185198,4.52
+C#N,CHEMBL183419,4.7
+NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL196608,7.55
+NS(=O)(=O)c1ccc(C/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL197104,7.85
+NS(=O)(=O)c1ccc(CC/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL373184,7.68
+Cc1ccc2occ(/C=N/c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL381243,7.46
+Cc1ccc2occ(/C=N/Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL193907,7.26
+Cc1ccc2occ(/C=N/CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL197031,7.22
+NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1,CHEMBL195615,7.48
+Cc1ccc2occ(/C=N/c3nccc(Nc4ccc(S(N)(=O)=O)cc4)n3)c(=O)c2c1,CHEMBL372497,7.39
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(F)(F)F)cc1/N=C/c1coc2ccccc2c1=O,CHEMBL193924,6.99
+Cc1ccc2occ(/C=N/c3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)c(=O)c2c1,CHEMBL196697,6.88
+O=C(O)c1c(F)c(F)cc(F)c1F,CHEMBL368444,5.22
+N#CO,CHEMBL1161700,4.52
+CC(COS(N)(=O)=O)COS(N)(=O)=O,CHEMBL181357,6.42
+NS(=O)(=O)OCc1ccc(COS(N)(=O)=O)cc1,CHEMBL360714,6.19
+CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183701,8.22
+Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183240,7.82
+NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1,CHEMBL182429,8.03
+C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)C5CC[C@]43C)C12,CHEMBL2113026,7.83
+NS(=O)(=O)OCCCCOS(N)(=O)=O,CHEMBL353258,8.01
+NS(=O)(=O)OCCCCCCOS(N)(=O)=O,CHEMBL182276,8.08
+NS(=O)(=O)OCCCCCCCOS(N)(=O)=O,CHEMBL182440,8.1
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,7.84
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,7.61
+NS(=O)(=O)OCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL361421,7.07
+NS(=O)(=O)OCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL181753,6.25
+CC(OS(N)(=O)=O)C(C)OS(N)(=O)=O,CHEMBL170139,6.38
+NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL361827,7.68
+CP(=O)(O)O,CHEMBL122938,7.01
+O=P(O)(O)c1ccccc1,CHEMBL179801,7.0
+O=C(O)C[C@H](NC(=O)CP(=O)(O)O)C(=O)O,CHEMBL504802,5.11
+NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL180323,6.91
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL179136,7.89
+CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL368235,7.82
+CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL367844,8.05
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL369179,8.29
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL369045,8.14
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,CHEMBL367378,7.96
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL176283,7.74
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1,CHEMBL178948,7.82
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,CHEMBL175881,7.48
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2c3ccccc3-c3ccccc32)cc1,CHEMBL179021,7.6
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL359546,7.17
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL175486,7.27
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL175866,8.01
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL180111,8.02
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL179047,8.04
+COC(=O)c1ccccc1S(N)(=O)=O,CHEMBL148680,6.38
+NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL361191,6.47
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1,CHEMBL179137,6.97
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL179682,7.04
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2S(N)(=O)=O)cc1,CHEMBL175503,7.07
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL175432,7.01
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL180012,7.03
+NNc1ccc(S(N)(=O)=O)cc1F,CHEMBL176180,7.29
+NNc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL176203,7.12
+CC(=O)NNc1ccccc1S(N)(=O)=O,CHEMBL175652,6.58
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N=C=S)cc2)s1,CHEMBL187034,8.77
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL362499,9.05
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)s1,CHEMBL187259,9.05
+CN1CCN(NC(=S)Nc2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)CC1,CHEMBL363931,9.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1,CHEMBL187372,9.05
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)s1,CHEMBL365507,9.1
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)s1,CHEMBL427329,9.3
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL445650,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(O)C(O)c3ccc([N+](=O)[O-])cc3)cc2)s1,CHEMBL185170,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCCN3CCN(CCCNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4)CC3)cc2)s1,CHEMBL435094,9.05
+NS(=O)(=O)c1ccc2c(c1)CCC2,CHEMBL364869,7.28
+NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL559179,7.55
+CC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL184674,8.82
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2,CHEMBL364127,8.12
+CCCCC(CCCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL185041,8.47
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,CHEMBL184361,8.165
+COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL185671,7.77
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)cc(F)c1F)C2,CHEMBL186963,7.92
+CC(=O)NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL363489,7.19
+NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL186263,7.08
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CHEMBL366069,6.97
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187901,7.89
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187274,7.68
+NS(=O)(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL183153,6.56
+NS(=O)(=O)c1ccc(CNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL185473,6.89
+NS(=O)(=O)c1ccc(CCNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL359997,7.01
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,7.64
+CNc1nc(NC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186504,7.82
+CNc1nc(NC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL184107,7.57
+COc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL365860,7.44
+COc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL185549,6.95
+COc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL184923,7.68
+CCOc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL363543,7.7
+CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL183945,7.08
+CCOc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL366086,7.64
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1,CHEMBL179355,8.22
+NS(=O)(=O)c1ccc(CCNC(=S)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL178603,7.85
+NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL180506,7.92
+NN(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL362636,7.72
+NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1,CHEMBL182135,7.89
+NCC(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL178560,8.1
+NC(CS)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181082,8.22
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL361955,7.74
+NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCOCC2)cc1,CHEMBL538564,8.05
+CN1CCN(NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL181716,7.12
+NC(=O)CC(N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181422,7.96
+CN(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL179218,7.48
+NS(=O)(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1,CHEMBL178403,8.15
+N=C(N)NCCCC(N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL180936,7.8
+CN(C)CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181825,7.89
+NN(NC(=S)NCCc1ccc(S(N)(=O)=O)cc1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL182197,8.0
+NCCCN1CCN(CCCNNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL178664,6.82
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(C(=O)O)cc2)cc1,CHEMBL180195,6.8
+CN1CCN(NNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL360254,7.32
+NCCCN1CCN(CCCNNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL180675,6.73
+NS(=O)(=O)c1ccc(NC(=S)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL413357,7.57
+NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCNCC2)cc1,CHEMBL180177,8.15
+CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1,CHEMBL177425,4.65
+CN1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL183763,6.78
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1,CHEMBL183775,7.09
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL182637,6.63
+CC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182476,6.76
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL182523,6.59
+NS(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,CHEMBL180943,7.06
+CC1CCN(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182185,6.58
+NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1,CHEMBL360041,6.98
+NS(=O)(=O)c1ccc(NC(=O)CCCCN2CCOCC2)cc1,CHEMBL183450,7.11
+NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1,CHEMBL182634,9.05
+CC1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL183442,8.42
+NS(=O)(=O)c1nnc(NC(=O)CN2CCN(Cc3ccccc3)CC2)s1,CHEMBL183705,8.74
+CN1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL179897,8.8
+CN1CCN(CCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL360097,8.72
+CCc1ccc(S(N)(=O)=O)cc1,CHEMBL358263,7.53
+CCCc1ccc(S(N)(=O)=O)cc1,CHEMBL148660,7.77
+CCCCc1ccc(S(N)(=O)=O)cc1,CHEMBL150043,8.3
+CCCCCc1ccc(S(N)(=O)=O)cc1,CHEMBL444536,8.86
+CC1(C)OB(c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL189113,8.28
+CC1(C)OB(c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL193199,8.27
+CC1(C)OB(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL373325,8.29
+CC1(C)OB(c2ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)OC1(C)C,CHEMBL189729,8.51
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,7.32
+CC1(C)OB(c2ccc(OS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190448,7.49
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL190392,8.29
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Br)cc2)OC1(C)C,CHEMBL190314,8.29
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Cl)cc2)OC1(C)C,CHEMBL191799,8.3
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3F)cc2)OC1(C)C,CHEMBL193191,8.29
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3I)cc2)OC1(C)C,CHEMBL192997,8.01
+CC1(C)OB(c2ccc(NC(=S)Nc3cccc(S(N)(=O)=O)c3)cc2)OC1(C)C,CHEMBL190622,8.26
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)OC1(C)C,CHEMBL364903,8.2
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)OC1(C)C,CHEMBL189065,8.29
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL195946,8.12
+CC1=CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL195947,8.08
+CCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL539940,6.36
+O=S1(=O)C=Cc2ccc(S(=O)(=O)NCC3CC3)cc21,CHEMBL196433,6.32
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2,CHEMBL194528,8.06
+CCCCOC1CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL371155,8.2
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1,CHEMBL196202,8.1
+NS(=O)(=O)c1ccc2c(c1)C=CS2(=O)=O,CHEMBL195035,8.13
+CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL193648,7.19
+CC(=O)Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193825,7.09
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1,CHEMBL194350,7.92
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1,CHEMBL254833,7.28
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL365558,8.4
+NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1,CHEMBL370526,6.82
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl,CHEMBL363168,7.0
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,CHEMBL194634,8.7
+NS(=O)(=O)c1nnc(NS(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL382075,9.0
+NS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1,CHEMBL197412,8.22
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL196871,8.82
+CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL196677,7.4
+NS(=O)(=O)C(F)(F)c1ccccc1,CHEMBL371870,6.81
+NS(=O)(=O)Cc1ccccc1,CHEMBL369953,6.19
+Cc1ccc(C(F)(F)S(N)(=O)=O)cc1,CHEMBL199464,6.46
+NS(=O)(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1,CHEMBL370159,6.95
+NS(=O)(=O)C(F)(F)c1ccccc1Br,CHEMBL199493,6.95
+NS(=O)(=O)C(F)(F)c1cccc(Br)c1,CHEMBL200673,6.25
+NS(=O)(=O)C(F)(F)c1ccc(Br)cc1,CHEMBL370854,7.01
+Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12,CHEMBL198913,7.49
+Cc1cc(=O)oc2cc(C(F)(F)S(N)(=O)=O)ccc12,CHEMBL198891,6.98
+C[C@]12CC[C@@H]3c4ccc(CS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628081,7.1
+C[C@]12CC[C@@H]3c4ccc(C(F)(F)S(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628004,6.17
+Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12,CHEMBL11185,7.6
+CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL206295,7.82
+CC(C)(C)c1ccc(S(=O)(=O)CCNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204049,7.03
+CC(C)(C)c1ccc(S(=O)(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204954,6.98
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL203498,6.92
+CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL206261,6.69
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL203534,6.45
+CC(C)(C)c1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL206657,7.74
+CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204077,6.91
+CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL381544,6.9
+CC(C)(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL425044,6.88
+CC(C)(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL203112,6.68
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL204326,6.62
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,6.89
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,8.12
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,7.34
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,8.0
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,6.93
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,9.05
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,6.31
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,7.49
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,8.92
+CC1(C)OCC(COS(N)(=O)=O)O1,CHEMBL172215,5.99
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,5.67
+O=C(NO)Nc1ccc(Cl)c(Cl)c1,CHEMBL213348,6.51
+NC(=O)NO,CHEMBL467,4.55
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)NN)cc1Cl,CHEMBL215276,6.27
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)NN)cc1Cl,CHEMBL387480,8.04
+COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL380158,6.61
+COC(=O)CS(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL212811,8.02
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)O)cc1Cl,CHEMBL385073,6.09
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)O)cc1Cl,CHEMBL215355,6.26
+CCOC(=O)c1cc(S(N)(=O)=O)c(S)cc1Cl,CHEMBL215990,7.73
+CCOC(=O)c1cc(S(N)(=O)=O)c(SSc2cc(Cl)c(C(=O)OCC)cc2S(N)(=O)=O)cc1Cl,CHEMBL384791,5.25
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S,CHEMBL215291,7.7
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(C(=O)NCc2ccccc2)cc1S(N)(=O)=O,CHEMBL215548,5.21
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1S,CHEMBL386517,7.71
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(C(=O)N2CCCC2)cc1S(N)(=O)=O,CHEMBL214993,5.34
+NS(=O)(=O)c1cc2c(cc1S)NCNS2(=O)=O,CHEMBL215916,8.065
+CC(C)CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL385451,5.57
+CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL215917,5.42
+NS(=O)(=O)c1ccc(NC(=O)CCS)cc1,CHEMBL214201,7.57
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2F)c(F)c1,CHEMBL212944,7.19
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(F)c1,CHEMBL212440,8.01
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(Cl)c1,CHEMBL213777,7.41
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1,CHEMBL373666,8.05
+NS(=O)(=O)c1ccc(CCNC(=O)CCSSCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL215936,7.15
+NS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1,CHEMBL215810,7.62
+NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL377107,7.21
+NS(=O)(=O)c1nnc(NC(=O)CCS)s1,CHEMBL377326,8.04
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCSSCCC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL436936,7.38
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCS,CHEMBL427654,8.03
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL418037,5.3
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1,CHEMBL386049,7.8
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL353498,5.31
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1,CHEMBL214745,7.54
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL209732,7.03
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL425274,8.15
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL383897,6.92
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL385152,8.09
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL387076,6.42
+C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL217569,7.35
+C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL386542,7.33
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL216319,8.24
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217359,8.14
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL217166,6.89
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL386318,6.55
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL214926,8.09
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL216208,8.17
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL386416,8.13
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL386266,6.33
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+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217303,8.14
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+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL216245,8.07
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+NS(=O)(=O)c1ccc(-n2cc(COC3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL223215,8.16
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+CC(=O)O[C@@H]1C(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL390524,8.03
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+CC(=O)OC[C@H]1O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL374275,7.34
+N#[N+][N-]c1ccc(S(N)(=O)=O)cc1,CHEMBL222837,7.33
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+CC(NOCc1ccc(Cl)cc1)C(=O)NO,CHEMBL228229,5.33
+O=C(CNOCc1ccc(Cl)cc1)NO,CHEMBL227566,5.32
+O=C(CNOCc1ccccc1)NO,CHEMBL226149,4.03
+CCC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL388982,5.02
+COc1ccc(S(=O)(=O)N(OC(C)C)C(C(=O)NO)C(C)C)cc1,CHEMBL442057,7.03
+COc1ccc(S(=O)(=O)N(CC(=O)NO)OCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL228176,7.02
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+COc1ccc(S(=O)(=O)N(CC(=O)NO)OCc2ccccc2)cc1,CHEMBL226438,7.02
+CCON(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL376841,5.06
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL514138,5.07
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL234737,7.2
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL234735,7.46
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL234530,7.19
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL234529,7.24
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL388671,8.08
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL388453,8.03
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+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL233019,8.22
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4Cl)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232816,7.96
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(S(N)(=O)=O)c4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232617,6.12
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232616,7.21
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL390035,8.0
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,7.04
+NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,CHEMBL328560,8.05
+O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)Nc1n[nH]c(=S)s1,CHEMBL236146,5.67
+O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)Nc1n[nH]c(=S)s1,CHEMBL236145,5.1
+O=C(N/N=C1\C(=O)Nc2ccccc21)Nc1n[nH]c(=S)s1,CHEMBL392816,5.08
+CC(C)C/C=N/NC(=O)Nc1n[nH]c(=S)s1,CHEMBL235506,5.05
+O=C(N/N=C/c1ccco1)Nc1n[nH]c(=S)s1,CHEMBL235505,4.88
+O=C(N/N=C/c1cccnc1)Nc1n[nH]c(=S)s1,CHEMBL395370,5.68
+O=C(NN=C(c1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL235708,5.55
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc([N+](=O)[O-])cc1,CHEMBL235502,5.45
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(Br)cc1,CHEMBL235501,4.95
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(Cl)cc1,CHEMBL391990,5.41
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(C)cc1,CHEMBL235700,5.43
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1,CHEMBL235692,5.43
+CN(C)c1ccccc1/C=N/NC(=O)Nc1n[nH]c(=S)s1,CHEMBL235485,5.03
+O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1n[nH]c(=S)s1,CHEMBL391326,5.67
+O=C(N/N=C/c1ccc(F)cc1)Nc1n[nH]c(=S)s1,CHEMBL394750,5.42
+O=C(N/N=C/c1ccc(Cl)cc1)Nc1n[nH]c(=S)s1,CHEMBL394749,4.87
+COc1cccc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)c1,CHEMBL394938,5.57
+O=C(N/N=C/c1ccc(O)cc1)Nc1n[nH]c(=S)s1,CHEMBL235466,5.42
+NNC(=O)Nc1n[nH]c(=S)s1,CHEMBL237422,5.04
+NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1,CHEMBL253997,8.22
+NS(=O)(=O)c1ccc(CC/N=C/c2ccncc2)cc1,CHEMBL253362,7.82
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc[nH]2)cc1,CHEMBL254212,7.92
+Cn1cccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL254211,8.0
+Cn1cccc1/C=N/Cc1ccc(S(N)(=O)=O)cc1,CHEMBL400889,7.7
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc([N+](=O)[O-])c2)cc1,CHEMBL254005,6.82
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL399457,7.0
+Cc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL430213,6.96
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL438693,8.3
+Cc1ccc(S(=O)(=O)NC(=O)Nc2c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c2Cl)cc1,CHEMBL255047,7.92
+NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL254835,8.0
+NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL254834,8.0
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,8.14
+NS(=O)(=O)c1ccc(-c2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL409306,8.64
+NS(=O)(=O)c1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1,CHEMBL259682,8.12
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,CHEMBL411092,8.12
+COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL270335,7.89
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270334,6.34
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL407716,6.36
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL272877,8.115
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL270990,6.42
+CC(=O)O[C@@H]1[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL270989,8.09
+CC(=O)OC[C@H]1O[C@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL273046,8.68
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)nn2)cc1,CHEMBL272611,6.37
+COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL412069,7.89
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270994,6.36
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(-c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL272900,6.63
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL437092,8.06
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL269852,8.04
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,5.225
+CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,CHEMBL26780,5.8
+CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,CHEMBL410329,5.8
+CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,CHEMBL26590,6.46
+C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL26303,6.7
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,7.19
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,5.6
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,6.86
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,5.21
+N#Cc1ccc(O)cc1,CHEMBL66381,6.97
+O=C(O)c1ccccc1O,CHEMBL424,5.15
+Oc1ccc(O)cc1,CHEMBL537,7.05
+Oc1cccc(O)c1,CHEMBL24147,5.11
+Oc1ccccc1O,CHEMBL280998,5.0
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL256303,7.48
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL257832,7.7
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL439243,7.33
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC(C)(C)N1[O],CHEMBL257192,6.82
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2Cl)CC(C)(C)N1[O],CHEMBL436648,7.92
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2F)CC(C)(C)N1[O],CHEMBL404221,7.43
+CC1(C)CC(NC(=S)Nc2cccc(S(N)(=O)=O)c2)CC(C)(C)N1[O],CHEMBL255710,6.78
+CC1(C)CC(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257386,7.55
+CC1(C)CC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL403152,7.38
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257163,7.39
+NS(=O)(=O)c1ccc(CNC(=O)NC2CC2c2ccccc2)cc1,CHEMBL453731,5.58
+N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,CHEMBL508489,8.3
+NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL461600,6.18
+NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL461601,7.29
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL511186,7.0
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3,CHEMBL517746,6.48
+CC1CCN(N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCC(C)CC2)CC1,CHEMBL461791,6.58
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL461963,6.42
+NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1,CHEMBL461964,6.19
+O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,CHEMBL421,5.06
+O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,CHEMBL898,5.03
+O=C(O)c1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL447810,5.26
+O=C(O)c1cc(Cl)ccc1O,CHEMBL1375,5.9
+NS(=O)(=O)c1ccc(CCC(=O)O)cc1,CHEMBL451332,6.31
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(/N=N/c4ccc(O)cc4)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL510182,7.47
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(O)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL513659,6.66
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(I)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL513820,6.87
+N#Cc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1,CHEMBL466495,6.49
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)OC(C)(C)C,CHEMBL507085,7.7
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(NN=C(C(=O)c4ccccc4)C(=O)c4ccccc4)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL503194,7.4
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL445982,6.24
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL499578,6.78
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(C)=O,CHEMBL453931,6.91
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL444683,6.7
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2ccc(N)cc2)c1-c1ccccc1,CHEMBL513122,5.91
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N)c2)c1-c1ccccc1,CHEMBL467098,5.39
+Nc1ccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1,CHEMBL513141,5.81
+Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1,CHEMBL513840,6.48
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(/N=N/c4c(O)ccc5ccccc45)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL508578,7.7
+CC(=O)Cn1c(C)cc2c(-n3nc(C(=O)Nc4nnc(S(N)(=O)=O)s4)c(C(=O)c4ccccc4)c3-c3ccccc3)cccc21,CHEMBL443431,6.68
+COc1cc2c(cc1OC)C(c1ccccc1)N(S(N)(=O)=O)CC2,CHEMBL466841,4.8
+COc1cc2c(cc1OC)C(c1ccc(Br)cc1)N(S(N)(=O)=O)CC2,CHEMBL466842,4.97
+COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2,CHEMBL468729,5.28
+COc1cc2c(cc1OC)C(c1ccc(C#N)cc1)N(S(N)(=O)=O)CC2,CHEMBL468730,5.37
+COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(S(N)(=O)=O)CC2,CHEMBL511425,4.82
+COc1cc2c(cc1OC)C(c1ccc(C)cc1)N(S(N)(=O)=O)CC2,CHEMBL468106,4.97
+COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2,CHEMBL468105,5.42
+COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2,CHEMBL466647,6.22
+COc1cc2c(cc1OC)C(c1cccc(N)c1)N(S(N)(=O)=O)CC2,CHEMBL511554,5.03
+COc1cc2c(cc1OC)C(c1ccc(N)cc1)N(S(N)(=O)=O)CC2,CHEMBL469148,4.95
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL496880,8.54
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL519447,8.28
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL499111,8.28
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL480302,8.27
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498750,8.25
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498758,8.21
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL504121,8.17
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL444912,8.16
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498757,8.12
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL525195,8.11
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL484530,8.11
+CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL470399,8.06
+CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL472077,8.06
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL517088,8.0
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,7.85
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1,CHEMBL468839,8.08
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1,CHEMBL512809,7.93
+Cc1cc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)ccc1F,CHEMBL467979,7.97
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1,CHEMBL468367,7.39
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL469064,8.09
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL513185,8.08
+Cc1ccccc1-c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL445517,8.11
+Cc1cccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c1,CHEMBL469221,7.47
+Nc1ccc(S(O)(O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL456724,8.7
+NS(=O)(=O)Nc1nncs1,CHEMBL449527,6.01
+CCc1nnc(NS(N)(=O)=O)s1,CHEMBL500977,6.02
+CC(C)(C)c1nnc(NS(N)(=O)=O)s1,CHEMBL475775,6.05
+NS(=O)(=O)Nc1nnc(C(F)(F)F)s1,CHEMBL499560,5.97
+CSc1nnc(NS(N)(=O)=O)s1,CHEMBL459356,6.04
+CCSc1nnc(NS(N)(=O)=O)s1,CHEMBL451538,5.95
+NS(=O)(=O)Nc1nnc(-c2ccccc2)s1,CHEMBL475776,6.06
+COc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1,CHEMBL443769,6.27
+NS(=O)(=O)Nc1nnc(-c2ccc(Br)cc2)s1,CHEMBL482149,6.09
+CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1,CHEMBL482150,6.03
+NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL512633,7.51
+CC(=O)OC[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL505415,6.33
+COC(=O)[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL468346,6.42
+CC(C)[C@H](C(=O)NO)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL471537,8.38
+CC(C)c1cccc(C(C)C)c1O,CHEMBL526,4.71
+CC(C)(C)c1cccc(C(C)(C)C)c1O,CHEMBL281071,6.29
+Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CHEMBL146,6.2
+COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CHEMBL98253,6.38
+COc1ccccc1O,CHEMBL13766,5.53
+COc1c(O)cccc1C=O,CHEMBL507918,5.9
+Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O,CHEMBL449983,5.39
+CC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O,CHEMBL478518,5.73
+CC(C)(C)c1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,CHEMBL1662,6.54
+N#C[Se],CHEMBL448089,4.07
+CCN(CC)C(=S)S,CHEMBL107217,5.51
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,7.14
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2F)cc1,CHEMBL549940,8.14
+NS(=O)(=O)c1ccc(CCNCc2ccccc2F)cc1,CHEMBL549331,8.16
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(S(=O)(=O)O)o2)cc1,CHEMBL564969,8.31
+NS(=O)(=O)c1ccc(CCNCc2ccc(S(=O)(=O)O)o2)cc1,CHEMBL550892,8.12
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc(C(=O)O)c2)cc1,CHEMBL563360,7.29
+NS(=O)(=O)c1ccc(CCNCc2cccc(C(=O)O)c2)cc1,CHEMBL558877,7.24
+O=S(=O)(O)c1ccc(CNCc2ccccc2)o1,CHEMBL561761,5.1
+Cc1ccc(B(O)O)cc1,CHEMBL140780,4.97
+CCCCc1ccc(B(O)O)cc1,CHEMBL555064,5.06
+COc1ccc(B(O)O)cc1,CHEMBL21427,5.1
+OB(O)c1ccc(Br)cc1,CHEMBL20866,5.15
+OB(O)c1ccc(-c2ccccc2)cc1,CHEMBL485742,5.35
+OB(O)c1ccc(Oc2ccccc2)cc1,CHEMBL459151,4.94
+OB(O)c1ccc2ccccc2c1,CHEMBL141079,5.22
+OB(O)/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL561852,4.56
+OB(O)CCc1ccccc1,CHEMBL20461,4.75
+OB(O)/C=C/Cc1ccccc1,CHEMBL539140,4.74
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,7.52
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,8.39
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL573127,7.3
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1,CHEMBL574246,6.41
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1,CHEMBL573335,7.3
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1,CHEMBL584387,7.28
+NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1,CHEMBL574779,7.28
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1,CHEMBL583171,7.28
+NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1,CHEMBL574780,7.29
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,CHEMBL574783,7.27
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1,CHEMBL573859,7.17
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1,CHEMBL575660,7.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1,CHEMBL583971,7.24
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1,CHEMBL574021,6.4
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1,CHEMBL582965,7.16
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1,CHEMBL574245,7.13
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1,CHEMBL573381,7.01
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1,CHEMBL582841,7.29
+O=C(O)c1ccc(/N=C/c2ccc(O)cc2)cc1,CHEMBL578165,6.7
+COC(=O)c1ccc(/N=C/c2cc(OC)ccc2O)cc1,CHEMBL575342,5.11
+CC(C)(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL572753,7.3
+CC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL568478,7.79
+NS(=O)(=O)c1ccc(C/N=C/c2ccc(O)cc2)cc1,CHEMBL566299,7.1
+NS(=O)(=O)CC/N=C/c1ccccc1,CHEMBL574337,6.8
+CC(C)(C)c1ccc(/C=N/CCS(N)(=O)=O)cc1,CHEMBL575785,8.07
+NS(=O)(=O)CC/N=C/c1ccc(O)cc1,CHEMBL575786,6.63
+COc1ccc(O)c(/C=N/CCS(N)(=O)=O)c1,CHEMBL572727,7.29
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL568705,5.35
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL579226,5.345
+COC(=O)[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL584312,5.36
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573459,5.35
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573460,5.3
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL569170,5.31
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL569412,5.34
+NS(=O)(=O)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL583958,5.41
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL570125,5.41
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL569168,5.39
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,6.48
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,4.14
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,4.73
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,4.72
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,4.6
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,4.61
+COC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL567896,4.64
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,5.11
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,4.21
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,5.42
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,4.87
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,5.04
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,4.31
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,4.4
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,4.3
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,4.41
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,4.54
+CCN(C(=O)CCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL568854,7.85
+CCN(C(=O)c1ccc(CO[N+](=O)[O-])cc1)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL570894,7.15
+CCN(C(=O)OCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL584939,7.89
+CCN(C(=O)OCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL585756,7.12
+CCN(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL571337,7.2
+NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1,CHEMBL379206,6.18
+Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL16909,6.97
+CNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL571371,7.03
+CN(C)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL277836,6.2
+NS(=O)(=O)c1ccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)cc1,CHEMBL274704,6.98
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL569804,6.98
+NS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1,CHEMBL571385,6.97
+Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL570615,7.06
+CN(C)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL576908,6.98
+NS(=O)(=O)c1cccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)c1,CHEMBL570257,6.97
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL569350,6.96
+O=S(=O)(O)CNc1ccccc1,CHEMBL569351,4.23
+CN(CS(=O)(=O)O)c1ccccc1,CHEMBL571598,4.2
+CC(=O)Nc1cc2c(cc1S(=O)(=O)O)C=C(S(=O)(=O)O)C(=NNc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL237251,4.89
+COc1cc([C@H]2[C@H](C)[C@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O,CHEMBL517222,4.92
+COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O,CHEMBL228274,4.93
+COc1cc(CO)cc2oc3ccc(O)c(C(=O)O)c3c(=O)c12,CHEMBL590883,5.04
+COc1cc(C)cc2oc3ccc(O)c(C(=O)O)c3c(=O)c12,CHEMBL592384,5.08
+NC1=N/C(=C\c2ccc(O)c(O)c2)C(=O)N1,CHEMBL591736,4.88
+COc1cc(/C=C2\N=C(N)NC2=O)ccc1O,CHEMBL603189,5.02
+COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,CHEMBL463134,5.1
+COC(=O)/C=C/C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O,CHEMBL463133,5.08
+CCCCNC(=O)Cc1ccc(O)c(Cl)c1,CHEMBL605189,5.03
+CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1,CHEMBL578932,4.97
+COCCNC(=O)Cc1ccc(O)c(Cl)c1,CHEMBL588491,4.98
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1,CHEMBL606453,7.74
+COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC,CHEMBL589604,4.94
+COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1,CHEMBL589606,4.97
+O=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccc1,CHEMBL601464,5.01
+O=C(Cc1ccc(O)c(Cl)c1)NCc1ccccc1,CHEMBL589354,4.94
+O=C(O)Cc1ccc(O)c(Cl)c1,CHEMBL592010,5.07
+NC(=O)Cc1ccc(O)cc1,CHEMBL447310,4.95
+O=C(O)Cc1ccc(O)cc1,CHEMBL1772,4.99
+OCCc1ccc(O)cc1,CHEMBL53566,5.06
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.6
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.5
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.65
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.62
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.79
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,6.01
+Oc1ccccc1,CHEMBL14060,5.26
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090011,8.34
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090010,8.33
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1089329,8.32
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1088998,8.3
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+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1088997,8.15
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089372,8.12
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092374,8.11
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089371,8.11
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1091806,8.04
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092714,7.92
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091319,7.88
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091780,7.88
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092775,7.87
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1091779,7.84
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1089015,7.83
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1093729,7.83
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092715,7.82
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093298,7.82
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1090030,7.81
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091318,7.81
+COC(=O)[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091781,7.79
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094036,7.79
+COC(=O)[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093054,7.74
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093297,7.25
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092027,7.23
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092028,7.2
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1089370,7.2
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094037,7.18
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091073,7.13
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089968,7.64
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090523,7.6
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL1090522,7.74
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092670,7.82
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1093178,8.0
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1090524,7.85
+NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085238,7.51
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085555,7.55
+NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085047,7.89
+NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085048,7.6
+COC(=O)CCCCCNc1ccn(O)c(=O)n1,CHEMBL1085500,4.33
+NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1,CHEMBL1165695,6.93
+Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165822,7.34
+N#Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165062,7.05
+NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1,CHEMBL1165061,7.28
+NNc1ccncc1S(N)(=O)=O,CHEMBL1164967,7.07
+CNNc1ccncc1S(N)(=O)=O,CHEMBL1164878,7.06
+CC1CC=NN1c1ccncc1S(N)(=O)=O,CHEMBL1163382,6.85
+C=CCNc1ccncc1S(N)(=O)=O,CHEMBL1164966,6.88
+NC(=O)CSc1ccncc1S(N)(=O)=O,CHEMBL1163376,6.88
+NS(=O)(=O)c1cnccc1SCc1ccccc1,CHEMBL1164472,8.0
+C#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164486,6.97
+N#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164420,7.04
+CSc1ccncc1S(N)(=O)=O,CHEMBL1165117,7.4
+NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,CHEMBL1164504,7.19
+NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1,CHEMBL1163951,7.02
+NS(=O)(=O)c1cnccc1Sc1nnns1,CHEMBL1165005,7.24
+Cn1nnnc1Sc1ccncc1S(N)(=O)=O,CHEMBL1165072,7.34
+NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-],CHEMBL1165118,7.07
+Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1,CHEMBL1165071,7.09
+NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,CHEMBL1165726,6.98
+NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1,CHEMBL1163599,7.03
+N#Cc1ccc(Oc2ccncc2S(N)(=O)=O)cc1,CHEMBL1164572,7.02
+CCOc1ccncc1S(N)(=O)=O,CHEMBL1165319,7.12
+COc1ccncc1S(N)(=O)=O,CHEMBL1165321,7.03
+Cc1ccc(S(=O)(=O)n2cccc2)cc1,CHEMBL508732,4.37
+Cc1ccc(S(=O)(=O)N2CC=CC2=O)cc1,CHEMBL1163131,4.43
+Cc1ccc(S(=O)(=O)N2C(=O)C=CC2O)cc1,CHEMBL1163554,4.84
+CC(=O)OC1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1,CHEMBL1164744,4.59
+COc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL477822,8.05
+COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)cc(=O)oc2c1,CHEMBL492022,7.8
+COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL514556,7.1
+COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL478669,7.92
+COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL489182,7.44
+O=c1ccc2ccccc2o1,CHEMBL6466,5.04
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,8.083
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,4.95
+NCCCCCCN,CHEMBL303004,4.46
+NCCCCCN,CHEMBL119296,4.96
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,5.95
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,4.95
+NCCNCCNCCN,CHEMBL609,4.19
+NCCCNCCCCNCCCN,CHEMBL23194,4.08
+NCCCCNCCCN,CHEMBL19612,5.95
+NCCNCCCNCCN,CHEMBL1214193,4.12
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,5.56
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,6.32
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,6.42
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,5.74
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,5.6
+O=C(O)/C=C/c1ccccc1O,CHEMBL52564,5.037
+COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1241532,6.99
+NS(=O)(=O)c1cn(-c2ncnc3nc[nH]c23)ccc1=O,CHEMBL1240620,7.02
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])c3nonc23)ccc1=O,CHEMBL1242891,7.25
+NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1242890,7.3
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O,CHEMBL1242889,7.01
+NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O,CHEMBL1242794,6.99
+NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL1242793,6.98
+NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL1242792,6.97
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O,CHEMBL1242706,6.94
+NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O,CHEMBL1242705,6.97
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL1242704,6.95
+NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240574,6.76
+NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O,CHEMBL1240573,7.1
+Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240572,7.11
+Nc1nc(N)c2nc(CNc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254767,8.35
+Nc1nc(N)c2nc(CNc3ccc(S(=O)(=O)O)cc3)cnc2n1,CHEMBL1254855,6.46
+Nc1nc(N)c2nc(CNCCc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254856,7.35
+Nc1nc(N)c2nc(CNCCc3ccc(S(=O)(=O)O)cc3)cnc2n1,CHEMBL1254938,4.58
+Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3)cnc2n1,CHEMBL1254939,6.04
+Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccc(S(=O)(=O)O)cc4)cc3)cnc2n1,CHEMBL1255023,4.43
+CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1255024,6.59
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270137,6.41
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270138,6.9
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270242,6.29
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270243,6.54
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270340,6.21
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270341,7.26
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270437,7.8
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270438,8.0
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270531,8.0
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270532,8.05
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270632,6.71
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270733,6.61
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270836,7.15
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270938,6.59
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270939,6.32
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271040,6.26
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271041,6.27
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271145,6.22
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271249,6.61
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269034,6.29
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271456,6.69
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269924,6.45
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270032,6.24
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(/N=N/c3c(O)ccc4ccccc34)c2)c1-c1ccccc1,CHEMBL1276015,6.42
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(/N=N/c3ccc(O)cc3)c2)c1-c1ccccc1,CHEMBL1276016,6.02
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(I)c2)c1-c1ccccc1,CHEMBL1276394,7.15
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(NN=C(C(C)=O)C(C)=O)c2)c1-c1ccccc1,CHEMBL1276017,6.77
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N/N=C(\C(C)=O)C(=O)c3ccccc3)c2)c1-c1ccccc1,CHEMBL1276018,6.72
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(NN=C(C(=O)c3ccccc3)C(=O)c3ccccc3)c2)c1-c1ccccc1,CHEMBL1276019,6.39
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL1276020,5.66
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(C)=O,CHEMBL1276021,6.92
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL1276022,7.3
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N/N=C(/C(C)=O)C(=O)OC(C)(C)C)c2)c1-c1ccccc1,CHEMBL1276023,7.52
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc3c2cc(C)n3CC(C)=O)c1-c1ccccc1,CHEMBL1276024,6.64
+NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL1643289,5.66
+NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1,CHEMBL1643290,5.43
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL1446150,6.11
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL1643291,5.89
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL1643292,5.58
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL1337519,5.94
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL1643293,7.12
+COc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643294,5.39
+CC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643295,5.97
+CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1615280,8.48
+CC(C)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643296,5.3
+CCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643297,5.6
+CCCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643298,8.68
+CCCCCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643299,5.02
+N#Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643300,7.19
+N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643301,8.62
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL1643302,7.07
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL1643303,8.01
+NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL1614844,7.82
+COc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1,CHEMBL1643304,5.48
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CHEMBL1643305,6.04
+NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1,CHEMBL1615215,6.65
+Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1643306,5.75
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1,CHEMBL1643307,8.05
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.21
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,6.33
+COc1ccccc1OC,CHEMBL1668603,6.3
+COc1ccc(OC)cc1,CHEMBL1668604,5.47
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,5.84
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,6.29
+O=C(O)c1cccc(O)c1,CHEMBL65369,6.22
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,5.99
+C[C@@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1672445,8.0
+CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683466,5.92
+CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683467,5.93
+CC1(C)C2CC[C@]1(CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683468,5.81
+CC1(C)C2CC[C@@]1(CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683469,5.61
+CC1(C)C2CC[C@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683470,6.02
+CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683471,5.65
+CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2,CHEMBL1683472,7.1
+CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2,CHEMBL1683473,5.64
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C,CHEMBL1683474,5.75
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C,CHEMBL1683475,6.4
+NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,CHEMBL435,6.54
+NS(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688316,6.29
+NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688315,6.98
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1688314,7.03
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688313,7.09
+CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688311,6.12
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1688310,7.95
+CC(C)CC(=O)O,CHEMBL1762642,4.0
+CCCCC(CC)C(=O)O,CHEMBL1762647,4.03
+CCCCC(CC)CCC(=O)O,CHEMBL1762649,4.02
+CCCCCCC(CCCC)C(=O)O,CHEMBL1762650,4.08
+O=C(O)c1ccc(F)cc1,CHEMBL1762651,5.48
+O=C(O)c1ccc(Cl)cc1,CHEMBL1762652,5.42
+O=C(O)c1ccc(Br)cc1,CHEMBL1762653,5.33
+O=C(O)c1ccc(I)cc1,CHEMBL1762654,5.23
+O=C(O)c1ccc([N+](=O)[O-])cc1,CHEMBL1762655,5.07
+COc1ccc(C(=O)O)cc1,CHEMBL1762657,5.1
+Nc1ccc(C(=O)O)cc1,CHEMBL1762658,5.09
+Nc1cccc(C(=O)O)c1,CHEMBL1762659,5.06
+N#Cc1ccc(C(=O)O)cc1,CHEMBL1762660,5.17
+CC(=O)Nc1ccc(C(=O)O)cc1,CHEMBL1762661,5.14
+O=C(O)c1ccc(CCl)cc1,CHEMBL1762662,5.36
+CN(C)c1ccc(C(=O)O)cc1,CHEMBL1762663,5.48
+O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,CHEMBL1762664,5.71
+CCCCC(CC)C(=O)OC,CHEMBL1762665,5.69
+CCCCC(CC)C(=O)NO,CHEMBL1762666,5.59
+CCCCC(CC)C(=O)NN,CHEMBL1762667,5.66
+CCCCC(CC)C(N)=O,CHEMBL1081233,5.46
+COC(=O)c1ccc(OC)cc1,CHEMBL1762668,5.45
+COc1ccc(C(=O)NO)cc1,CHEMBL1762669,6.35
+COc1ccc(C(=O)NN)cc1,CHEMBL1588015,5.24
+COc1ccc(C(N)=O)cc1,CHEMBL449635,5.66
+Cc1ccc(C(=O)C(O)(O)C(F)(F)F)cc1,CHEMBL1760958,5.05
+CCN(CC)CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778440,8.85
+NS(=O)(=O)c1ccc(C(=O)OCCCCO[N+](=O)[O-])cc1,CHEMBL1778431,7.74
+NS(=O)(=O)c1ccc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)cc1,CHEMBL1778432,6.7
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL1778433,8.0
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCCCO[N+](=O)[O-])c2)s1,CHEMBL1738778,7.55
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL1778434,7.48
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCCCO[N+](=O)[O-])cc2)s1,CHEMBL1778435,8.0
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778436,7.85
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1778437,7.0
+NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1,CHEMBL1777820,7.06
+NS(=O)(=O)c1ccc(OCCCCO[N+](=O)[O-])cc1,CHEMBL1778438,7.92
+NS(=O)(=O)c1ccc(OCCCCCO[N+](=O)[O-])cc1,CHEMBL1778439,7.15
+CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083756,5.55
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1085092,6.63
+CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085095,6.66
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1084064,6.72
+CCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1083382,6.97
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)CC,CHEMBL1084702,6.63
+CCC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083684,6.98
+CCC(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085033,7.99
+CCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085034,7.99
+CCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL73460,6.84
+CCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085467,6.47
+CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1084856,8.02
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1085093,6.59
+CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085094,5.46
+CCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1084063,6.49
+CCC(C)C(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083381,6.85
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1083383,8.0
+CC(C)(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1084951,7.54
+CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1082898,7.47
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1797783,8.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL1797784,7.06
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797785,8.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797786,8.01
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL1797787,6.45
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL1797788,6.53
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL1797789,6.31
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797790,7.86
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797791,7.66
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1797792,7.82
+Oc1cccc(O)c1O,CHEMBL307145,6.27
+O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,CHEMBL506247,4.48
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807496,7.09
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807497,7.12
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807498,7.07
+CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1NS(N)(=O)=O,CHEMBL1807499,7.09
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1807500,5.33
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1807501,4.31
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CHEMBL1807502,4.67
+C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1807503,4.65
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807504,7.92
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807505,7.96
+NS(=O)(=O)c1ccc(Nc2nc(NCC(=O)O)nc(NCC(=O)O)n2)cc1,CHEMBL1813206,6.42
+COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813207,6.36
+COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1738792,7.39
+NS(=O)(=O)c1ccc(Nc2nc(NCCC(=O)O)nc(NCCC(=O)O)n2)cc1,CHEMBL1813208,6.43
+CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O,CHEMBL1813209,6.25
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813210,6.39
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1,CHEMBL1738787,7.43
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1,CHEMBL1813211,6.92
+CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813212,6.45
+COC(=O)CNc1nc(NCC(=O)OC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813213,6.34
+CC(Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813214,6.36
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL1813215,6.59
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813216,6.32
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813217,6.43
+CC(Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813218,6.39
+NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813219,6.29
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,7.92
+NS(=O)(=O)c1cnccc1Oc1ccncc1S(N)(=O)=O,CHEMBL1817908,7.26
+COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,CHEMBL1817672,7.05
+NS(=O)(=O)c1cnccc1-n1ccccc1=O,CHEMBL1817907,6.31
+COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O,CHEMBL1817906,6.66
+NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1,CHEMBL1817905,7.01
+CN(C)c1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817904,6.83
+Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817903,6.41
+Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O,CHEMBL1817902,6.47
+NS(=O)(=O)c1cnccc1-[n+]1ccccc1,CHEMBL1817901,6.99
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,6.55
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,7.67
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,6.01
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,6.02
+NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1,CHEMBL1836399,5.28
+Cc1ccc(C#Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1836400,5.28
+COc1cccc(C#Cc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1836401,5.31
+NS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1,CHEMBL1836402,5.28
+NS(=O)(=O)c1ccc(C#Cc2cccc(F)c2)cc1,CHEMBL1836403,7.24
+NS(=O)(=O)c1cccc(C#Cc2ccccc2)c1,CHEMBL1836404,7.06
+Cc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL1836405,5.77
+COc1cccc(C#Cc2cccc(S(N)(=O)=O)c2)c1,CHEMBL1836406,5.2
+NS(=O)(=O)c1cccc(C#Cc2cccc(F)c2)c1,CHEMBL1836407,5.67
+NS(=O)(=O)c1ccccc1C#Cc1ccccc1,CHEMBL1836408,5.31
+Cc1ccc(C#Cc2ccccc2S(N)(=O)=O)cc1,CHEMBL1836409,5.34
+NS(=O)(=O)c1ccccc1C#Cc1cccc(F)c1,CHEMBL1836410,5.38
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836634,6.66
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1834000,7.92
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL1836633,7.32
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836632,7.23
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836631,7.42
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836630,7.31
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836624,7.97
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836629,8.26
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836628,7.35
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836627,7.3
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836626,7.41
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836625,7.97
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836623,7.95
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836622,8.28
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccccc1,CHEMBL1923674,6.37
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Br)cc1,CHEMBL1923675,5.38
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Cl)cc1,CHEMBL1923676,6.98
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C#N)cc1,CHEMBL1923677,7.04
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(F)cc1,CHEMBL1923678,6.32
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C)cc1,CHEMBL1923679,7.06
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc([N+](=O)[O-])c1,CHEMBL1923680,6.53
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc([N+](=O)[O-])cc1,CHEMBL1923681,6.49
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc(N)c1,CHEMBL1923682,7.0
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(N)cc1,CHEMBL1923683,6.65
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1393422,4.11
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938472,6.23
+COc1cc2oc(=O)ccc2cc1C(O)CC(C)C,CHEMBL1938473,7.23
+Oc1c(Br)cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1O,CHEMBL464987,4.67
+Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br,CHEMBL374829,4.67
+O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br,CHEMBL490356,6.25
+CC(=O)OCc1c(Br)c(Br)c(OC(C)=O)c(OC(C)=O)c1Br,CHEMBL1946084,4.23
+COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC,CHEMBL1946085,5.35
+COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC,CHEMBL1946086,5.36
+COc1cc(CC2CCCCC2=O)cc(Br)c1OC,CHEMBL1946087,5.4
+COc1cc(CC2CCCCC2O)cc(Br)c1OC,CHEMBL1946088,6.42
+COc1cc(CC2CCCC[C@@H]2O)cc(Br)c1OC,CHEMBL2092896,6.42
+COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC,CHEMBL1946177,6.39
+COc1cc(CC2CCCC[C@@H]2O)c(Br)c(Br)c1OC,CHEMBL2092897,6.41
+COc1cc(CC2CCCCC2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC,CHEMBL1946178,6.08
+COc1c(Br)c(Br)c(CO)c(Br)c1OC,CHEMBL1946180,4.245
+CC1CCCCC1O,CHEMBL1946181,6.47
+CCCC1CCCCC1O,CHEMBL1946182,6.42
+CC1CCCCC1=O,CHEMBL1946183,6.38
+NS(=O)(=O)c1ccccc1Br,CHEMBL1946184,6.24
+c1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL596060,5.63
+COc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL607813,5.69
+COc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL610455,5.67
+COc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL593276,5.64
+COc1ccc2c(c1OC)Cc1c-2[nH]c2ccccc12,CHEMBL607824,5.71
+COc1ccc(OC)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL594224,5.6
+COc1cc2c(cc1OC)-c1[nH]c3ccccc3c1C2,CHEMBL611502,5.64
+COc1cc2c(c(OC)c1)-c1[nH]c3ccccc3c1C2,CHEMBL593037,5.64
+c1ccc2c3c([nH]c2c1)-c1cc2c(cc1C3)OCO2,CHEMBL608978,5.61
+Fc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593759,6.3
+Clc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL595861,6.28
+Brc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593667,6.33
+Oc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL610454,6.19
+Oc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593972,6.13
+Oc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL611504,6.11
+Oc1cccc2c1-c1[nH]c3ccccc3c1C2,CHEMBL596276,6.09
+Oc1ccc2c(c1O)Cc1c-2[nH]c2ccccc12,CHEMBL596277,6.35
+Oc1ccc(O)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL593507,6.25
+Oc1cc2c(cc1O)-c1[nH]c3ccccc3c1C2,CHEMBL594918,6.46
+Oc1cc(O)c2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL607823,6.27
+c1ccc2[nH]ccc2c1,CHEMBL15844,4.49
+OC(=S)c1ccccc1,CHEMBL1955873,4.29
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956743,8.15
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956744,8.11
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956745,8.14
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956746,8.0
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956747,6.28
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956748,7.92
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956749,6.53
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956750,8.07
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956751,6.27
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956752,8.14
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956753,8.01
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956754,7.99
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956755,8.12
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956756,6.41
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956757,8.06
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956758,8.19
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956759,8.15
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956760,6.42
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956761,6.97
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956762,6.28
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956763,6.65
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956764,7.22
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956765,8.03
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956766,6.46
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956767,8.12
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956768,6.42
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956769,6.57
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956770,6.96
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956771,8.16
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956772,6.98
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956773,8.05
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956774,8.13
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,6.04
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.7
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.06
+O=c1c(O)c(-c2ccccc2)oc2ccccc12,CHEMBL294009,5.035
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.64
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.76
+S=C(S)Nc1ccccc1,CHEMBL2023162,8.35
+S=C(S)NN1CCOCC1,CHEMBL2023163,8.44
+CN1CCN(NC(=S)S)CC1,CHEMBL2023164,7.48
+CCC(C)NC(=S)S,CHEMBL2023165,7.53
+S=C(S)NCCN1CCOCC1,CHEMBL2023166,7.44
+S=C(S)NCCN(CCNC(=S)S)CCNC(=S)S,CHEMBL2023167,7.87
+S=C(S)NCc1ccccc1,CHEMBL2023168,9.15
+S=C(S)NCc1ccncc1,CHEMBL2023169,7.78
+S=C(S)NCCN1CCCCC1,CHEMBL2023170,7.69
+S=C(S)Nc1nccs1,CHEMBL2023171,8.34
+O=C(O)CNC(=S)S,CHEMBL2023172,6.49
+S=C(S)NCCCn1ccnc1,CHEMBL2023718,7.61
+CN(C)C(=S)S,CHEMBL569460,5.16
+S=C(S)N1CCCC1,CHEMBL2021946,7.56
+CC(C)CN(CC(C)C)C(=S)S,CHEMBL2023719,9.02
+CCCN(CCC)C(=S)S,CHEMBL2023720,7.26
+CCCCN(CCCC)C(=S)S,CHEMBL2023721,7.29
+CCCCCCN(CCCCCC)C(=S)S,CHEMBL2023722,7.29
+CCCCN(CC)C(=S)S,CHEMBL2023723,7.56
+OCCN(CCO)C(=S)S,CHEMBL2023724,8.4
+CN(C(=S)S)c1ccccc1,CHEMBL2023725,7.67
+CN(Cc1ccccc1)C(=S)S,CHEMBL2023726,7.6
+S=C(S)N1CCOCC1,CHEMBL2023727,9.02
+S=C(S)N1CCN(C(=S)S)CC1,CHEMBL2023728,9.04
+N#CC1(c2ccccc2)CCN(C(=S)S)CC1,CHEMBL2023729,7.39
+O=C(O)[C@@H]1CCCN1C(=S)S,CHEMBL2023730,7.76
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2042371,4.22
+COc1cc(OC)c(Cc2cc(OC)c(OC)c(Br)c2Br)c(OC)c1Br,CHEMBL2042370,4.26
+Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O,CHEMBL477748,5.95
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Cc3cc(OC)c(OC)c(Br)c3Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2040866,4.11
+Oc1c(O)c(Br)c(Br)c(Br)c1Br,CHEMBL506166,4.53
+Oc1c(Br)cc(Br)c(Br)c1O,CHEMBL2042369,4.58
+COc1c(Br)cc(Br)c(Br)c1OC,CHEMBL1946179,4.16
+COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC,CHEMBL2016664,4.23
+Oc1ccc(Cc2ccc(O)c(O)c2)cc1O,CHEMBL253691,5.25
+COc1c(Br)cc(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2042368,4.46
+COc1c(Br)c(Br)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2016670,4.45
+NS(=O)(=O)c1ccc(Br)cc1,CHEMBL178852,7.09
+COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2048917,8.57
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2,CHEMBL2048918,5.67
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)NCC2,CHEMBL2048919,5.44
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)N(S(N)(=O)=O)CC2,CHEMBL2048920,5.5
+COc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048921,7.06
+CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048922,7.48
+CCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048923,8.28
+NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1,CHEMBL2048924,8.31
+COc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048925,8.07
+CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048926,7.06
+CCCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048927,8.06
+NS(=O)(=O)c1ccc(C2=NCCc3cc(O)ccc32)cc1,CHEMBL2048928,7.51
+COc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048929,8.06
+CCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048930,7.36
+CCCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048931,8.05
+NS(=O)(=O)c1ccc(C2NCCc3cc(O)ccc32)cc1,CHEMBL2048932,7.07
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048933,7.31
+CCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048934,7.48
+CCCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048935,8.2
+NS(=O)(=O)c1ccc(C2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1,CHEMBL2048936,8.17
+O=C(O)/C(O)=C/C(=O)c1ccccc1,CHEMBL467389,5.37
+O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL499273,5.58
+COC(=O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL2070203,5.49
+O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccccc2)c2ccccc12,CHEMBL1673089,5.71
+O=C(O)/C(O)=C(\O)C(=O)O,CHEMBL41028,7.35
+CC(=O)c1c(C(=O)O)n(C)c2cc3c(cc12)OCO3,CHEMBL2070204,5.28
+COc1ccccc1C(=O)CC(=O)/C=C(\O)C(=O)O,CHEMBL2070205,5.36
+COC(=O)/C(O)=C/C(=O)CC(=O)c1ccccc1OC,CHEMBL2070206,5.34
+O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070208,5.44
+COC(=O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070209,5.92
+O=C(O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070210,5.36
+COC(=O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070211,4.55
+COC(=O)/C(O)=C1/C(=O)N(c2ccccc2)c2ccccc21,CHEMBL2070212,5.38
+CCn1cc(C2=C(O)C(=O)NC2=O)c2ccccc21,CHEMBL2070213,6.2
+O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070202,5.84
+O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070214,5.52
+O=C(O)c1ccccc1Nc1ccccc1,CHEMBL23832,7.42
+NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL2148104,6.24
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164738,8.085
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL2164736,7.26
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2164735,7.155
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164734,7.145
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164733,6.745
+NS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164731,7.2
+NS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164730,5.92
+NS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2164729,7.02
+NS(=O)(=O)c1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1,CHEMBL2170197,7.89
+NS(=O)(=O)c1nnc(NC(=O)OC23CC4CC(CC(C4)C2)C3)s1,CHEMBL2170198,8.0
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,7.31
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,7.14
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,6.68
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,7.54
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,7.8
+NS(=O)(=O)c1cn(CC(=O)NNC(=O)c2ccco2)ccc1=O,CHEMBL2203350,6.42
+Cc1ccc(S(=O)(=O)NNC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203349,6.5
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL2203348,6.45
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL2203347,6.47
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1=O,CHEMBL2203346,6.39
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203345,6.29
+COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203344,6.21
+NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL2203372,6.17
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O,CHEMBL2203371,6.14
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)ccc1=O,CHEMBL2203356,6.34
+Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203355,6.09
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1=O,CHEMBL2203354,6.25
+Cc1ccc(-n2c(Cn3ccc(=O)c(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1,CHEMBL2203353,6.15
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1=O,CHEMBL2203352,6.31
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)C(C)(C)C1,CHEMBL2203351,6.25
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)CC1,CHEMBL2208446,6.17
+Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1,CHEMBL2203339,6.34
+CCN(c1ccccc1)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208445,6.24
+CN(C)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208444,6.41
+Cc1noc(C)c1Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208443,6.41
+NS(=O)(=O)c1cn(CC2CC2)ccc1=O,CHEMBL2208442,6.34
+CCOC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208441,6.17
+N#CCCCn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208440,6.16
+NS(=O)(=O)c1cn(CCO)ccc1=O,CHEMBL2208439,6.06
+[C-]#[N+][O-],CHEMBL2207071,4.52
+N#C[SeH],CHEMBL2069541,4.07
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(/N=N/c4c(O)ccc5ccccc45)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314162,7.91
+N#Cc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1,CHEMBL2314160,6.42
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(/N=N/c4ccc(O)cc4)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314159,6.46
+CC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)OC(C)(C)C,CHEMBL2314158,7.02
+COC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)C(C)C,CHEMBL2314157,6.87
+CCCC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL2314156,6.95
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(C)=O,CHEMBL2314155,6.71
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL2314154,6.9
+CC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL2314153,6.8
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(NN=C(C(=O)c4ccccc4)C(=O)c4ccccc4)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314152,6.89
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(C)=O,CHEMBL2314151,6.59
+CCOC(=O)c1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1,CHEMBL2314161,6.84
+N=C(N)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2323125,7.05
+N=C(N)Nc1ccc(C(=O)O)cc1,CHEMBL20767,5.94
+N=C(N)Nc1ccc(O)cc1,CHEMBL2323124,5.12
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.17
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.51
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.06
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.11
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.26
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.15
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.41
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.15
+NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL2324869,7.24
+CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL2325977,9.2
+CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL2325981,8.9
+CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(S(N)(=O)=O)=CC21,CHEMBL2325976,8.3
+NS(=O)(=O)c1ccc(-n2cc([C@H]3[C@H](O)C[C@H](O)[C@@H]3C/C=C\CCCC(=O)O)nn2)cc1,CHEMBL2326219,8.1
+COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL2326218,8.1
+CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CNCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL2325978,7.4
+CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2325975,7.4
+CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)[C@H]1C[C@H](C)S(=O)(=O)C2SC(S(N)(=O)=O)=CC21,CHEMBL2326217,7.3
+CCN(C(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C)[C@H]1C[C@H](C)S(=O)(=O)C2SC(S(N)(=O)=O)=CC21,CHEMBL2325980,7.3
+NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)s1,CHEMBL2325979,7.0
+COc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL2326522,5.06
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc2O1,CHEMBL2326521,5.11
+COc1ccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)cc1,CHEMBL2326520,5.03
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)ccc2O1,CHEMBL2326519,5.02
+CCN(CC)Cc1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326518,5.03
+O=S1(=O)C=Cc2cc(-n3cc(CO)nn3)ccc2O1,CHEMBL2326517,5.03
+C[Si](C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326516,5.14
+CCOC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326515,5.04
+COC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326514,5.2
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccccc4)nn3)ccc2O1,CHEMBL2326513,5.11
+Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326511,5.05
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.31
+Nc1cccc(O)c1,CHEMBL269755,5.33
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,5.36
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.28
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.15
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.1
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.15
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.18
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.16
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.38
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.21
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.24
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.28
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.25
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.15
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.28
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.24
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.16
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,6.11
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,5.39
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.29
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.28
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.12
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,5.31
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,5.36
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.32
+COC(=O)c1ccc(O)cc1,CHEMBL325372,5.47
+C=C(Cl)CN(CC(=C)Cl)S(=O)(=O)c1ccc(N)cc1,CHEMBL2333977,5.3
+C=C(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333976,5.29
+Nc1ccc(S(=O)(=O)NCCC(F)F)cc1,CHEMBL2333975,5.37
+Nc1ccc(S(=O)(=O)NCCC(F)Cl)cc1,CHEMBL2333974,6.1
+CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333973,7.07
+CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333972,5.85
+CC(=O)Nc1ccc(S(=O)(=O)NCC(C)F)cc1,CHEMBL2333971,5.34
+CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333970,7.12
+C=C(C)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333969,5.33
+CCCNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333968,5.46
+CC1CN(C)S(=O)(=O)c2ccc(N)cc21,CHEMBL2333967,6.37
+CC(F)CNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333966,7.24
+NS(=O)(=O)c1ccc2c(c1)CCCN2,CHEMBL2333965,7.1
+C=CCNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333964,5.63
+Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CHEMBL182659,6.4
+COc1cc2ccc(=O)oc2c(O)c1O,CHEMBL54909,4.03
+C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO,CHEMBL2334353,4.1
+CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL1995684,4.2
+CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O,CHEMBL7121,4.29
+COc1c2c(c(OC)c3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL2334350,4.31
+COc1cc(OC)c2ccc(=O)oc2c1OC,CHEMBL596221,5.02
+N#Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272457,5.23
+Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272458,5.2
+C/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O,CHEMBL479638,5.48
+C/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O,CHEMBL479836,5.3
+COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1F,CHEMBL449451,5.44
+O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL475278,5.38
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl,CHEMBL1782957,5.64
+O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl,CHEMBL1782958,5.43
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCCC4)cc2)CCCCC1,CHEMBL2335178,6.54
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)CCCC1,CHEMBL2335177,6.6
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCC4)cc2)CCC1,CHEMBL2335176,6.77
+COc1ccc2cc(-c3cc(CO)nn3-c3cccc(S(N)(=O)=O)c3)ccc2c1,CHEMBL2336618,6.11
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)c1,CHEMBL2336617,6.31
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1,CHEMBL2336616,6.74
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1,CHEMBL2336615,8.04
+NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2CO)cc1,CHEMBL2336614,6.85
+COc1ccc2cc(-c3nn(-c4ccc(S(N)(=O)=O)cc4)cc3CO)ccc2c1,CHEMBL2336613,7.51
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccc4ccccc4c3)n2)cc1,CHEMBL2336612,7.44
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1,CHEMBL2336630,7.42
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL2331608,8.05
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1Br,CHEMBL2336628,6.41
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1,CHEMBL2336627,6.58
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)cc1,CHEMBL2336626,8.02
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1,CHEMBL2336625,7.34
+COc1ccccc1-c1cc(CO)nn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL2336624,6.82
+COc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2336623,6.63
+COc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336622,6.87
+N#Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336621,6.91
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1,CHEMBL2336620,6.93
+Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336619,6.75
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1,CHEMBL2336632,7.37
+NS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1,CHEMBL2336631,6.42
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1,CHEMBL2336633,6.38
+NS(=O)(=O)OC[C@H]1O[C@H](OC[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL2337525,7.95
+NS(=O)(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL2337524,7.95
+NS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL2337523,7.95
+NS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL2337522,7.95
+CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2337521,7.95
+CC(=O)C1=NN(c2ccccc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL2337539,8.1
+N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=S)Nc1ccccc1,CHEMBL2337538,8.19
+N#C/C(=N\Nc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337537,8.07
+N=c1oc2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337536,7.96
+N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337535,7.84
+N#C/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337534,8.57
+N#C/C(=C\c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1347917,8.26
+N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337533,7.5
+CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337532,7.71
+N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337531,7.47
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337530,8.38
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O,CHEMBL2337529,8.22
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2337528,7.73
+COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1,CHEMBL2337134,8.17
+COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337133,7.42
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL2337132,8.12
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337544,8.05
+COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1594453,8.16
+N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337543,8.27
+N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337542,7.48
+N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337541,7.21
+N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337540,8.21
+NS(=O)(=O)c1ccc(SCCO)cc1,CHEMBL106848,7.68
+NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F,CHEMBL2333416,8.46
+NS(=O)(=O)NC1Cc2ccccc2C1,CHEMBL2333822,5.89
+COc1cc2c(cc1OC)CC(NS(N)(=O)=O)C2,CHEMBL2333821,4.87
+NS(=O)(=O)NC1CCc2ccccc2C1,CHEMBL2333820,5.17
+COc1cccc2c1CCCC2NS(N)(=O)=O,CHEMBL2333819,5.51
+NS(=O)(=O)NC1CCc2ccccc21,CHEMBL2333818,5.97
+COc1cc2c(cc1OC)C(NS(N)(=O)=O)CC2,CHEMBL2333817,5.05
+Cc1cc(Cl)ccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331760,8.6
+NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1,CHEMBL2331759,8.68
+COc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331758,8.7
+CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12,CHEMBL2331757,8.69
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1,CHEMBL2331756,8.68
+CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331755,8.74
+COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331769,8.7
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL2331768,8.77
+COc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c(C)c1,CHEMBL2331767,8.67
+Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331766,8.74
+NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2331765,8.61
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL2331764,8.67
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL2331763,8.7
+CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1,CHEMBL2331762,8.67
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL2331761,8.61
+NS(=O)(=O)c1ccc(CCN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2331569,7.57
+NS(=O)(=O)c1ccc(CN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332768,7.55
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c(Cl)c1,CHEMBL2332769,7.21
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332770,7.26
+NS(=O)(=O)c1cccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c1,CHEMBL2332771,7.21
+NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O,CHEMBL2332772,7.02
+CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC,CHEMBL511132,4.39
+COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL450699,4.25
+CCCCNS(=O)(=O)NCCCC,CHEMBL229137,4.18
+O=S(=O)(NCc1ccccc1)NCc1ccccc1,CHEMBL229190,6.19
+CCCN(CCC)S(N)(=O)=O,CHEMBL229954,4.22
+CCCC(CCC)COS(N)(=O)=O,CHEMBL2335233,5.72
+CCCCCCOS(N)(=O)=O,CHEMBL2335232,5.55
+NS(=O)(=O)Oc1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL2376274,6.56
+NS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2376273,6.18
+N#CNC(=S)S,CHEMBL2380755,7.13
+S=C(S)SCc1ccccc1,CHEMBL2380754,7.12
+S=C(S)OC1CC2CC1C1CCCC21,CHEMBL404954,8.18
+S=C(S)OCCC12CC3CC(CC(C3)C1)C2,CHEMBL2380753,8.19
+S=C(S)OCC12CC3CC(CC(C3)C1)C2,CHEMBL2380752,7.67
+S=C(S)OCCc1ccccn1,CHEMBL2380751,7.88
+S=C(S)OCC(c1ccccc1)c1ccccc1,CHEMBL2380750,8.27
+S=C(S)OCc1ccccc1,CHEMBL2380749,7.35
+CC(C)(C)OC(=O)NCCCCCCOC(=S)S,CHEMBL2380748,7.23
+CC(C)(C)OC(=O)NCCCCOC(=S)S,CHEMBL2380747,8.02
+CN(C)CCOCCOC(=S)S,CHEMBL2380746,8.09
+CN(C)CCOC(=S)S,CHEMBL2380745,7.22
+S=C(S)OC1CCCCC1,CHEMBL2380744,6.53
+S=C(S)OC1CCCC1,CHEMBL2380743,6.44
+CCCCCCCCOC(=S)S,CHEMBL2380742,6.47
+CCCCCOC(=S)S,CHEMBL2380741,6.44
+CC(C)CCOC(=S)S,CHEMBL2380740,6.53
+CC(C)OC(=S)S,CHEMBL2380739,6.51
+CCOC(=S)S,CHEMBL2380738,6.52
+COC(=S)S,CHEMBL2380737,6.46
+COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC,CHEMBL2387066,8.69
+COc1cccc(CCNS(N)(=O)=O)c1OC,CHEMBL2387067,8.53
+COc1ccc(CCNS(N)(=O)=O)cc1OC,CHEMBL2387068,8.62
+COc1ccc(CCNS(N)(=O)=O)cc1,CHEMBL2387069,8.83
+COc1ccccc1CCNS(N)(=O)=O,CHEMBL2387070,8.69
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,4.43
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,4.66
+COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2402764,9.12
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1,CHEMBL2402763,9.15
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1,CHEMBL2402762,9.15
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1,CHEMBL2402761,8.49
+COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1518649,9.09
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402760,9.14
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL1898609,8.19
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402759,8.42
+COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402758,9.06
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402757,9.11
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402756,9.09
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402755,8.03
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1,CHEMBL2402754,9.16
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1,CHEMBL2402753,9.1
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1,CHEMBL2402752,9.03
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1,CHEMBL2402777,8.05
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1,CHEMBL2402776,9.13
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1,CHEMBL2402775,9.04
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1,CHEMBL2402774,8.14
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1,CHEMBL2402773,8.02
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1,CHEMBL2402772,9.11
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1,CHEMBL2402771,8.72
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(F)c1,CHEMBL2402770,8.16
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1,CHEMBL2402769,8.06
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402768,9.1
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1,CHEMBL2402767,9.02
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402766,6.98
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402765,8.1
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1,CHEMBL2407713,7.55
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1,CHEMBL2407712,6.92
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Br)cc1,CHEMBL2407711,7.5
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1,CHEMBL2407710,7.41
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Cl)c2)cc1,CHEMBL2407709,6.87
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1,CHEMBL2407708,7.37
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1,CHEMBL2407707,7.48
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1,CHEMBL2407715,7.34
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2F)cc1,CHEMBL2407714,7.45
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2)cc1,CHEMBL2216818,7.25
+O=C(Cc1ccccc1Br)Oc1ccc2c(c1)OS(=O)(=O)C=C2,CHEMBL2407318,8.72
+O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OS(=O)(=O)C=C2,CHEMBL2407317,8.59
+CC(=O)Oc1ccc2c(c1)OS(=O)(=O)C=C2,CHEMBL2407316,8.66
+O=C(Cc1ccccc1Br)Oc1ccc2c(c1)OS(=O)(=O)CC2,CHEMBL2407315,8.47
+O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OS(=O)(=O)CC2,CHEMBL2407314,8.66
+CC(=O)Oc1ccc2c(c1)OS(=O)(=O)CC2,CHEMBL2407313,8.82
+COc1ccc2c(c1)OS(=O)(=O)CC2,CHEMBL2407312,8.62
+COc1ccc2c(c1)OS(=O)(=O)C=C2,CHEMBL2407311,8.82
+O=S1(=O)C=Cc2ccc(O)cc2O1,CHEMBL2407310,8.08
+CS(=O)(=O)Oc1ccc2c(c1)OS(=O)(=O)C=C2,CHEMBL2407309,8.68
+O=S1(=O)CC(O)c2ccc(O)cc2O1,CHEMBL2407308,8.8
+CS(=O)(=O)Oc1ccc2c(c1)OS(=O)(=O)CC2,CHEMBL2407307,8.74
+O=S1(=O)CCc2ccc(O)cc2O1,CHEMBL2407306,8.12
+O=S1(=O)CCc2ccc(OCc3ccccc3)cc2O1,CHEMBL2407305,8.7
+O=S1(=O)C=Cc2ccc(OCc3ccccc3)cc2O1,CHEMBL2407304,8.6
+O=S1(=O)CC(O)c2ccc(OCc3ccccc3)cc2O1,CHEMBL2407303,8.64
+N#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F,CHEMBL2414076,8.66
+CS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1,CHEMBL2414075,8.57
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)s1,CHEMBL2414074,8.54
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl,CHEMBL2414073,8.57
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1,CHEMBL2414072,8.52
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1,CHEMBL2414071,8.49
+N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414070,8.35
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1,CHEMBL2414069,8.11
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1,CHEMBL2413089,8.54
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1,CHEMBL2414068,8.62
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414067,8.2
+CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414066,8.54
+Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414065,8.46
+Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414064,8.42
+NS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1,CHEMBL2414077,8.21
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Br)c1,CHEMBL2414443,8.62
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1,CHEMBL2414442,8.31
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(F)c1,CHEMBL2414441,8.47
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,CHEMBL2414440,5.35
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1,CHEMBL2414439,7.56
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377796,8.28
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2414438,8.54
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377770,8.15
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL2419991,7.52
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419990,7.28
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4Cl)C4=C3CCCC4=O)cc2)cc1,CHEMBL2419989,7.17
+N#Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL2419988,7.42
+COc1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1O,CHEMBL2419987,7.48
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL2419986,7.64
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419985,7.29
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419984,7.23
+CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419983,7.02
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419982,7.19
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1,CHEMBL2419981,7.31
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL2419980,7.34
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL2419979,7.64
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL2419978,7.39
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL2419977,7.64
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL2419976,7.54
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL2419994,7.82
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL2419993,7.33
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL2419992,7.68
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,7.35
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Br)c1,CHEMBL2424829,7.33
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Cl)c1,CHEMBL2424828,7.26
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(F)c1,CHEMBL2424827,7.02
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O,CHEMBL2424826,6.72
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1,CHEMBL2424825,7.1
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424832,7.1
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424831,7.15
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424830,7.17
+CSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436875,6.89
+CCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436874,7.06
+CCOC(=O)CCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436873,6.87
+CCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436872,7.12
+Cc1nn(-c2ccncc2S(N)(=O)=O)c(C)c1C,CHEMBL2436871,7.23
+Cc1cc(C)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436870,7.21
+NS(=O)(=O)c1cnccc1N1CCC(Cc2ccccc2)CC1,CHEMBL2436869,6.67
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL2436868,6.46
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2436867,7.07
+NS(=O)(=O)c1cnccc1N1CCN(c2ncccn2)CC1,CHEMBL2436884,6.94
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1,CHEMBL2436883,7.02
+Cc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1,CHEMBL2436882,5.91
+COc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1,CHEMBL2436881,6.2
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL2436880,6.32
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2F)CC1,CHEMBL2436879,6.53
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1,CHEMBL2436878,6.45
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2436877,6.41
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1,CHEMBL2436876,6.36
+CCCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1,CHEMBL2443191,6.78
+Cc1cc(C)nc(SCC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)n1,CHEMBL2443204,7.96
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,8.3
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,8.25
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,8.27
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,8.26
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,8.15
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,8.31
+Cc1nccn1CCCNS(N)(=O)=O,CHEMBL3087327,7.28
+NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-],CHEMBL3087324,7.24
+Cc1ncc([N+](=O)[O-])n1CCOS(N)(=O)=O,CHEMBL3085793,7.47
+Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,CHEMBL3087323,8.0
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3087322,8.18
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087321,8.54
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087320,8.13
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3087319,8.26
+NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+](=O)[O-])c1,CHEMBL3087318,8.42
+NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087317,8.32
+NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087316,7.43
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087315,6.48
+Oc1ccccc1CNc1ccccc1NCc1ccccc1O,CHEMBL3092750,6.51
+Oc1ccccc1CNCCCCCCNCc1ccccc1O,CHEMBL3092749,6.62
+Oc1ccccc1CNCCCCCNCc1ccccc1O,CHEMBL3092748,5.47
+Oc1ccccc1CNCCCCNCc1ccccc1O,CHEMBL3092747,5.45
+Oc1ccccc1CNCCCNCc1ccccc1O,CHEMBL1467754,6.41
+Oc1ccccc1CNCCNCc1ccccc1O,CHEMBL256208,5.43
+Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O,CHEMBL1985188,5.47
+Oc1ccccc1/C=N/CCCCCC/N=C/c1ccccc1O,CHEMBL1163022,5.44
+Oc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O,CHEMBL3092751,5.5
+Oc1ccccc1/C=N/CCCC/N=C/c1ccccc1O,CHEMBL593618,5.41
+Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O,CHEMBL593165,5.38
+Oc1ccccc1/C=N/CC/N=C/c1ccccc1O,CHEMBL594100,5.76
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092810,5.32
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092811,8.1
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092812,8.2
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092813,6.6
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3092814,6.38
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092815,7.16
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092816,7.42
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092817,7.13
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092818,8.16
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092819,8.09
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092934,6.18
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092935,6.76
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092936,6.74
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092938,7.1
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3092937,6.58
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092939,6.21
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092940,6.36
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092941,6.24
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092942,7.12
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092943,7.15
+C#Cc1cccc(S(N)(=O)=O)c1,CHEMBL1232090,7.18
+NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1,CHEMBL3092995,5.06
+NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,CHEMBL3098848,7.14
+NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1,CHEMBL3098849,8.2
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL3098533,9.25
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)/C(=C(\C#N)C(=O)c2ccccc2)S1,CHEMBL3098532,9.04
+CCOC(=O)/C(C#N)=C1\SC(C(C)=O)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3098531,8.27
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=C(C#N)C#N)S1,CHEMBL3098135,8.38
+Cc1nn2c(-c3ccccc3)nnc2s/c1=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098530,9.03
+Cc1nn2c(C)nnc2s/c1=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098529,9.0
+CC(=N\NC(=O)c1cccs1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098528,8.35
+COc1ccc(C(=O)N/N=C(C)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL3098527,9.26
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098526,9.01
+CC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098525,8.07
+CC(=N\NC(=O)c1cccs1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098524,9.05
+COc1ccc(C(=O)N/N=C(C)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)N2CCCCC2)cc1,CHEMBL3098523,8.96
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098522,9.24
+CC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098521,8.24
+CC(=N\NC(=O)c1cccs1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098520,9.03
+COc1ccc(C(=O)N/N=C(C)/C(Cl)=N/Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3098519,8.51
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098535,8.19
+CC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098534,7.77
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,7.68
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,6.6
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104055,7.21
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104054,7.92
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104053,7.26
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104052,7.21
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104051,6.81
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104050,7.05
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104049,7.06
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccccc2)cc1Cl,CHEMBL3104369,8.07
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104368,7.68
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104367,7.59
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccccc2)cc1Cl,CHEMBL3104366,6.84
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccccc2)cc1Cl,CHEMBL3104365,7.31
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104364,7.27
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104164,5.49
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104163,5.35
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104162,5.56
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104161,5.48
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104160,6.38
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104159,6.25
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104158,5.87
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104157,6.29
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104156,6.19
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104155,6.6
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104065,6.45
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104064,6.27
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104063,6.01
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104062,6.37
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104061,6.46
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104060,8.11
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104059,7.82
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104058,7.64
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104057,7.01
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104056,7.54
+O=C(NO)C1CC(c2ccc(Cl)cc2)=NO1,CHEMBL3110148,4.02
+O=C(NO)C1CC(c2cccc(Cl)c2)=NO1,CHEMBL3110147,4.33
+O=C(NO)C1CC(c2ccccc2Cl)=NO1,CHEMBL3110146,4.55
+CC1(C(=O)NO)CC(c2ccccc2F)=NO1,CHEMBL3110155,5.42
+CC1(C(=O)NO)CC(c2cccc(Cl)c2)=NO1,CHEMBL3110152,6.07
+O=C(NO)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1,CHEMBL3110151,6.09
+CCOc1ccc(C2=NOC(C(=O)NO)C2)cc1,CHEMBL3110150,6.09
+O=C(NO)C1CC(c2ccccc2)=NO1,CHEMBL3110145,6.1
+CC1(C(=O)NO)CC(c2cccc(Br)c2)=NO1,CHEMBL3110153,6.13
+CCOc1ccccc1C1=NOC(C(=O)NO)C1,CHEMBL3110149,6.53
+CC1(C(=O)NO)CC(c2cccc(F)c2)=NO1,CHEMBL3110154,6.59
+NS(=O)(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O,CHEMBL3113924,8.77
+NS(=O)(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1,CHEMBL3113923,8.41
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1,CHEMBL3113922,7.47
+NS(=O)(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,CHEMBL3113926,6.05
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL3113927,6.23
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377772,6.62
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377773,8.37
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1,CHEMBL3121766,5.17
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL3121765,5.44
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL3121764,6.05
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1,CHEMBL3121763,5.06
+COc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121762,5.18
+Cc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121761,5.42
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1,CHEMBL3121760,6.08
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1,CHEMBL3121759,6.41
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CHEMBL3121758,8.25
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1,CHEMBL3121757,6.65
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1,CHEMBL3121756,7.03
+COc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121755,7.36
+Cc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121754,7.14
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,CHEMBL3121753,6.8
+NS(=O)(=O)c1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121752,7.43
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Br)cc3)n[nH]c2=S)cc1,CHEMBL3121772,8.17
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1,CHEMBL3121771,7.62
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1,CHEMBL3121770,8.18
+COc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121769,7.57
+Cc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121768,7.7
+NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,CHEMBL3121767,7.51
+COc1ccc(Nc2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3120745,7.67
+Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)n1,CHEMBL3120744,7.81
+Nc1cccnc1Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3120743,7.62
+NCCCNc1nc(NCCCN)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120742,7.12
+CN(CCO)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCO)n1,CHEMBL3120741,7.14
+CC(C)(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)(C)C)n1,CHEMBL3120740,7.27
+NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CHEMBL242764,7.9
+Nc1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120739,7.67
+Cc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)c1,CHEMBL3120738,7.66
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1,CHEMBL243806,7.47
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1,CHEMBL3120750,6.89
+NCCCNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120749,7.17
+CN(CCO)c1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120748,7.39
+Cc1cccc(Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,CHEMBL3120747,7.74
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1,CHEMBL3120746,7.74
+O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Cl)cc1,CHEMBL1603618,5.74
+N#CCCCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125557,5.9
+CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL131790,5.59
+CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1545298,7.42
+C/C(CN1C(=O)c2ccccc2S1(=O)=O)=N\O,CHEMBL3125554,7.38
+O=C1c2ccccc2S(=O)(=O)N1Cc1c(F)cccc1F,CHEMBL3125547,6.34
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(F)c1,CHEMBL3125546,7.04
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(Br)c1,CHEMBL3125544,7.06
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1Br,CHEMBL3125543,7.36
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1,CHEMBL3125542,7.41
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-],CHEMBL1470455,7.39
+N#Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL3125564,7.32
+CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125563,5.66
+CC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL415079,7.38
+C/C=C/CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125562,7.44
+C=CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125561,7.07
+C#CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125560,6.8
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126809,7.15
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126808,7.19
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126807,6.75
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126806,6.61
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126805,6.73
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126804,8.04
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126821,8.03
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126820,6.17
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126819,6.51
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126818,6.24
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126817,6.25
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(OC)cc1,CHEMBL3126816,6.49
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1,CHEMBL3126815,6.49
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126814,6.62
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1cccs1,CHEMBL3126813,8.02
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126812,6.44
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126811,8.4
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126825,8.35
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126824,8.0
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126823,7.47
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126822,8.25
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126810,7.68
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccccc2)cc1,CHEMBL3235165,6.56
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccc(Cl)cc2)cc1,CHEMBL3235166,6.53
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccccc2)cc1,CHEMBL3235167,6.38
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(Cl)cc2)cc1,CHEMBL3235168,6.56
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(F)cc2)cc1,CHEMBL3235169,6.38
+Cc1ccc(C(=O)CN(/C=C/C(=O)C(F)(F)F)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3235170,6.39
+CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235171,6.38
+CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235172,6.29
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1,CHEMBL3235173,6.43
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)cc1,CHEMBL3235174,6.47
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1,CHEMBL3235175,6.53
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=S)cc1,CHEMBL3235176,6.45
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]2)cc1,CHEMBL3235177,6.56
+N#[N+][N-]c1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL3233387,5.09
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4)nn3)ccc21,CHEMBL3233388,5.03
+Cc1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233389,5.09
+Cc1cc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)ccc1F,CHEMBL3233392,5.31
+NS(=O)(=O)c1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233394,7.06
+O=C(O)c1ccc(NCc2ccccc2)cc1,CHEMBL32051,6.91
+CC(C)(C)c1ccc(CNc2ccc(C(=O)O)cc2)cc1,CHEMBL3264961,6.73
+O=C(O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264962,6.7
+COc1ccc(O)c(CNc2ccc(C(=O)O)cc2)c1,CHEMBL3264963,6.85
+COC(=O)c1ccc(NCc2ccccc2)cc1,CHEMBL3264964,4.65
+COC(=O)c1ccc(NCc2ccc(C(C)(C)C)cc2)cc1,CHEMBL3264965,6.8
+COC(=O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264966,6.85
+COC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1,CHEMBL3264967,5.27
+CC(C)(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264968,7.49
+NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264969,6.15
+COc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264970,7.06
+NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1,CHEMBL3264972,7.41
+CC(C)(C)c1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264974,7.62
+NS(=O)(=O)c1ccc(/C=N/Cc2ccc(O)cc2)cc1,CHEMBL3264975,7.99
+NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1,CHEMBL3264976,7.1
+COc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264978,6.88
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2)cc1,CHEMBL3264979,7.96
+CC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264981,7.95
+CC(C)(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264982,8.07
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(O)cc2)cc1,CHEMBL3264983,7.37
+NS(=O)(=O)c1ccc(CCNCc2ccc(O)cc2)cc1,CHEMBL3264984,6.63
+COc1ccc(O)c(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264985,7.9
+COc1ccc(O)c(CNCCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264986,7.29
+Cc1nn(C)c2nnc(S(C)(=O)=O)nc12,CHEMBL3261396,6.11
+Cc1nn(C)c2nnc(Nc3ccccc3)nc12,CHEMBL3261397,6.08
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc12,CHEMBL3237848,6.18
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12,CHEMBL3237850,6.15
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12,CHEMBL3237853,6.31
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12,CHEMBL3233061,8.2
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCNCC4)cc3)nc12,CHEMBL3237852,6.04
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN)cc3)nc12,CHEMBL3237854,7.21
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN4CCOCC4)cc3)nc12,CHEMBL3237857,6.14
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12,CHEMBL3237851,6.11
+Cc1nn(C)c2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3237855,8.1
+N#CC1=CCc2ccccc2C=C1,CHEMBL3290054,5.49
+N#CC1=Cc2ccccc2CC=C1,CHEMBL3290055,5.51
+N#Cc1ccc(=O)c2ccccc2c1,CHEMBL3290056,5.41
+N#Cc1cccc2ccccc2c1=O,CHEMBL3290057,5.57
+N#Cc1cc2ccccc2ccc1=O,CHEMBL3290058,5.48
+N#Cc1ccc2ccccc2c(=O)c1,CHEMBL3290059,5.6
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291105,6.91
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291106,7.06
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291107,7.2
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl,CHEMBL3291108,7.87
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291109,7.62
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291110,8.0
+Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291111,7.6
+NS(=O)(=O)c1cc(-c2nnco2)c(Cl)cc1Cl,CHEMBL3291086,7.88
+Cc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1,CHEMBL3291087,8.06
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291088,7.33
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291089,7.27
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291090,7.39
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291091,7.48
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291092,7.55
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291093,7.82
+Cc1ccc(-c2nnc(-c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cc1,CHEMBL3291094,7.54
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)s2)c(Cl)cc1Cl,CHEMBL3291095,7.17
+NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291096,7.36
+NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291097,7.41
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291098,8.16
+NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291099,7.24
+NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291100,7.4
+NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291101,7.1
+NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc32)c(Cl)cc1Cl,CHEMBL3291102,7.08
+NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl,CHEMBL3291103,6.94
+NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)cc1Cl,CHEMBL3291104,6.79
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N,CHEMBL3298343,8.34
+CCO/C=N/c1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3298344,8.49
+N=c1c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2ncn1N,CHEMBL3298345,8.42
+N#Cc1c(N)nn2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c12,CHEMBL3298346,8.31
+CCOC(=O)c1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298347,8.33
+CCOC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298348,7.61
+CC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298349,6.91
+CCOC(=O)n1c(=O)nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn21,CHEMBL3298350,8.35
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nnnc32)cc1,CHEMBL3298351,8.28
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2N=CN2NC(=O)CN=C32)cc1,CHEMBL3298352,8.31
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc(O)c(=O)nc32)cc1,CHEMBL3298353,7.19
+CC1=CC(C)=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=N1,CHEMBL3298354,7.74
+N#CC1C=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC1=N,CHEMBL3298355,8.28
+CCOC(=O)C1=C(N)N=C2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3N=CN2N=C1,CHEMBL3298838,8.14
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc4c5ccccc5nc-4nc32)cc1,CHEMBL3298839,8.07
+CC(=O)N1C(=O)/C(=N\n2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c2=N)c2ccccc21,CHEMBL3298840,8.25
+CC(=CC(=O)c1ccccc1)Nn1cnc2c(c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c1=N,CHEMBL3297802,8.41
+CC1=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC(c2ccccc2)=C1,CHEMBL3297803,8.15
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cccc(C)c2c1=O,CHEMBL3337907,8.89
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccc(C)cc2c1=O,CHEMBL3337908,8.74
+Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1,CHEMBL3337909,8.77
+Cc1cccc2c(=O)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337910,6.68
+COc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1,CHEMBL3337911,6.63
+COc1cccc2c(=O)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337912,6.68
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccc([N+](=O)[O-])cc2c1=O,CHEMBL3337913,7.92
+NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccccc2)cc1,CHEMBL3337914,6.91
+Cc1cccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=S)c12,CHEMBL3337993,7.17
+Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=S)c2c1,CHEMBL3337994,7.11
+Cc1cccc2c(=S)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337995,6.94
+COc1cccc2c(=S)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337996,7.19
+NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3c(=S)n2Cc2ccccc2)cc1,CHEMBL3337997,7.02
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O,CHEMBL3343177,7.03
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O,CHEMBL3343178,7.07
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)NO)O[C@H]1C,CHEMBL3343181,7.03
+O=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3343322,7.04
+O=S(=O)(NO)NC1C=C[C@@H](O)CO1,CHEMBL3343325,7.07
+NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1,CHEMBL2377780,7.56
+NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377781,8.0
+NS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377783,8.04
+NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377784,8.32
+O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377785,6.72
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL2377786,8.64
+NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL520850,8.66
+O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL312097,6.78
+Cc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377787,7.58
+Cc1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377788,8.11
+CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377790,8.21
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377791,8.25
+NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377793,7.95
+NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377794,8.29
+NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377775,7.33
+NS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377776,8.07
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377778,8.28
+NS(=O)(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377779,7.31
+NS(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343261,6.15
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343262,6.17
+NS(=O)(=O)c1ccc(/N=C/c2csc3ccccc23)cc1,CHEMBL3343263,6.18
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1,CHEMBL3343264,6.15
+NS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1,CHEMBL3343265,7.2
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1,CHEMBL3343266,6.3
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3343267,6.15
+COc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c(O)c1,CHEMBL3343270,6.16
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343271,6.18
+COc1cc([N+](=O)[O-])ccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL3343272,6.77
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343273,6.39
+CSc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343274,6.15
+N#Cc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343275,6.15
+NS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1,CHEMBL3343276,6.22
+NS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1,CHEMBL3343277,6.19
+COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342253,6.72
+COC(=O)[C@@H]1C[C@@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342252,6.14
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CC[C@@H](OS(N)(=O)=O)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342251,6.96
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342250,6.58
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342249,8.0
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342248,6.28
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342247,7.03
+NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342254,8.3
+NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342255,5.19
+NS(=O)(=O)OC1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,CHEMBL3342256,4.7
+NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,CHEMBL3342257,6.73
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12,CHEMBL3354140,5.09
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL3354139,5.13
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3354136,8.43
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3354135,8.24
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3354134,8.38
+Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3354133,8.28
+Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3354132,8.42
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL3354131,8.19
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1,CHEMBL3354130,7.42
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1,CHEMBL3354129,7.72
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1,CHEMBL3354128,7.46
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3354127,7.39
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1,CHEMBL3354126,7.47
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356279,7.94
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356278,7.07
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356277,8.07
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356276,7.8
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356275,7.86
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356274,7.19
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3356273,5.86
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(Cl)cc1,CHEMBL3356272,5.32
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(F)cc1,CHEMBL3356271,7.57
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356270,5.32
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356269,7.32
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccccc1,CHEMBL3356268,6.86
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356267,8.03
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356266,8.14
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356265,8.6
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3356264,8.57
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3352855,8.64
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356263,8.64
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356262,8.42
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356261,6.85
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356260,7.98
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356259,7.4
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356258,7.5
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356257,7.96
+Nc1[nH]c(=S)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342497,7.05
+Nc1[nH]c(=O)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342496,6.69
+Cc1ccc(S(=O)(=O)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342495,6.72
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NS(=O)(=O)c1ccccc1,CHEMBL3342494,6.23
+Cc1ccc(-n2c(N)c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3nc2=S)cc1,CHEMBL3342493,8.06
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3342492,8.07
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(I)cc1,CHEMBL3342491,6.82
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Br)cc1,CHEMBL3342490,8.03
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1,CHEMBL3342489,7.76
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Cl)cc1,CHEMBL3342488,7.38
+COc1ccc(NC(=S)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342487,8.05
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccccc1,CHEMBL3342486,8.08
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=S)[nH]c(=S)[nH]c32)cc1,CHEMBL3342498,7.37
+CC(=S)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342499,8.24
+Cc1nc(=S)c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2[nH]1,CHEMBL3342500,8.35
+CC(=O)CC(=O)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342501,8.28
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1,CHEMBL3342502,8.35
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=O)n(C(=O)c4ccccc4)c(-c4ccccc4)nc32)cc1,CHEMBL3342503,8.03
+CC(C)(C)OC(=O)NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359164,8.3
+CC(C)(C)OC(=O)NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359165,8.29
+CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359166,8.24
+CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359167,8.26
+CC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359168,8.28
+NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359169,7.18
+NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359170,7.44
+NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359171,8.05
+NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359172,8.06
+NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359173,8.41
+NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359174,8.3
+NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359175,8.34
+NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359176,8.41
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359177,6.67
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359178,7.36
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,8.17
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,8.16
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,7.39
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,8.21
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,8.31
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,8.22
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL897,6.37
+N=C(N)NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314173,6.33
+N=C(N)NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314174,6.07
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314175,7.15
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314176,7.12
+CC(=O)NC(CCCCN)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314177,6.25
+CC(=O)NC(CCCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314178,6.33
+CC(=O)NC(CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314179,6.42
+CC(=O)NC(CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314180,6.34
+CC(=O)NC(CCCCNC(=N)N)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314181,6.08
+CC(=O)NC(CCCCNC(=N)N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314182,7.36
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3313934,5.29
+CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3314183,8.23
+CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3314184,7.53
+CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314167,8.01
+CC(C)(C)OC(=O)NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314168,7.04
+NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314169,7.08
+NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314170,6.71
+CC(C)(C)OC(=O)NC(=NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1)NC(=O)OC(C)(C)C,CHEMBL3314171,7.08
+CC(C)(C)OC(=O)NC(=NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)NC(=O)OC(C)(C)C,CHEMBL3314172,7.15
+COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3314185,8.36
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323209,8.21
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3323208,8.41
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3323207,8.46
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3323206,7.84
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1,CHEMBL3323205,8.37
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3323210,8.22
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CHEMBL3323211,7.14
+COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323212,8.42
+CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323213,8.44
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329925,6.2
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329923,6.38
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329922,6.27
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329921,6.38
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL562109,6.36
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL3329930,6.26
+NS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1,CHEMBL3326401,7.3
+CCCCCc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL3326402,6.12
+NS(=O)(=O)c1ccc(-n2cc(CCBr)nn2)cc1,CHEMBL3326403,6.85
+NS(=O)(=O)c1ccc(-n2cc(CCCCl)nn2)cc1,CHEMBL3326404,7.13
+NS(=O)(=O)c1ccc(-n2cc(CCCCCl)nn2)cc1,CHEMBL3326405,7.18
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326406,6.48
+CC(C)(C)OC(=O)NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326407,7.49
+NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326408,6.77
+Cc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326409,6.78
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(-c3ccccc3)nn2)c(F)c1F,CHEMBL3326410,7.52
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F,CHEMBL3326411,7.38
+CCCCCc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326412,6.19
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCBr)nn2)c(F)c1F,CHEMBL3326413,7.01
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCl)nn2)c(F)c1F,CHEMBL3326414,7.25
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F,CHEMBL3326415,7.33
+COC(=O)c1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326416,6.35
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CO)nn2)c(F)c1F,CHEMBL3326417,6.91
+CC(C)(C)OC(=O)NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326418,7.57
+NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326419,6.85
+CC(=O)CN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3322440,5.66
+CC1=CC(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322525,7.59
+Cc1nonc1S(N)(=O)=O,CHEMBL3309352,8.07
+Cc1c(S(N)(=O)=O)no[n+]1[O-],CHEMBL3309353,8.33
+C=C1NO[N+]([O-])=C1S(N)(=O)=O,CHEMBL3309354,8.38
+NS(=O)(=O)c1nonc1-c1ccccc1,CHEMBL3309355,7.98
+NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1,CHEMBL1215508,7.42
+NS(=O)(=O)c1c(-c2ccccc2)no[n+]1[O-],CHEMBL1215509,7.31
+NS(=O)(=O)c1nonc1OCc1ccccc1,CHEMBL3309360,8.29
+CC(C)COc1nonc1S(N)(=O)=O,CHEMBL3309359,8.28
+CCCCOc1nonc1S(N)(=O)=O,CHEMBL3309358,8.26
+CCOc1nonc1S(N)(=O)=O,CHEMBL3309357,8.23
+COc1nonc1S(N)(=O)=O,CHEMBL3309356,8.19
+NS(=O)(=O)c1nonc1Oc1ccccc1,CHEMBL3309361,8.14
+NS(=O)(=O)c1ccc(-c2nonc2-c2ccccc2)cc1,CHEMBL3309362,7.29
+NS(=O)(=O)c1ccc(-c2no[n+]([O-])c2-c2ccccc2)cc1,CHEMBL3309363,7.24
+NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309364,7.31
+NS(=O)(=O)c1ccc(-c2nonc2[N+](=O)[O-])cc1,CHEMBL3309365,6.45
+NS(=O)(=O)c1ccc(-c2c([N+](=O)[O-])no[n+]2[O-])cc1,CHEMBL3309366,6.32
+NS(=O)(=O)c1ccc(-c2nonc2Oc2ccccc2)cc1,CHEMBL3309367,7.12
+NS(=O)(=O)c1ccc(-c2c(Oc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309368,6.69
+NS(=O)(=O)c1ccc(-c2nonc2Sc2ccccc2)cc1,CHEMBL3309369,6.99
+NS(=O)(=O)c1ccc(-c2c(Sc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309370,6.95
+NS(=O)(=O)c1ccc(-c2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309371,6.87
+NS(=O)(=O)c1ccc(-c2c(S(=O)(=O)c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309372,7.19
+NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1,CHEMBL3309373,6.47
+NS(=O)(=O)c1ccc(OC=C2NO[N+]([O-])=C2c2ccccc2)cc1,CHEMBL3309374,6.55
+NC(=O)c1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309375,6.84
+NC(=O)C1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309376,6.95
+N#Cc1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309377,7.3
+N#CC1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309378,7.28
+NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309853,8.05
+NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309854,8.02
+On1ccc(C(F)(F)F)cc1=S,CHEMBL3326435,4.85
+On1cccc(C(F)(F)F)c1=S,CHEMBL3326434,4.19
+Cc1ccn(O)c(=S)c1,CHEMBL3326430,4.42
+Cc1cccn(O)c1=S,CHEMBL3326429,4.32
+Cc1ccc(S(=O)(=O)NC(=O)C2C(C(=O)OCc3ccccc3)[C@@H]3C=C[C@H]2CC3)cc1,CHEMBL3402244,6.87
+Cc1ccc(S(=O)(=O)NC(=O)C2[C@H]3C=C[C@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1,CHEMBL3402245,6.95
+Cc1ccc(S(=O)(=O)NC(=O)C2CC=CCC2C(=O)OCc2ccccc2)cc1,CHEMBL3402246,7.04
+CC1=CCC(C(=O)OCc2ccccc2)C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C1,CHEMBL3402247,6.86
+Cc1ccc(S(=O)(=O)NC(=O)C2[C@H](C(=O)OCc3ccccc3)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1,CHEMBL3402248,7.32
+Cc1ccc(S(=O)(=O)NC(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2[C@H](O)[C@@H]3O)cc1,CHEMBL3402249,6.82
+Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)O)cc1,CHEMBL3402250,6.56
+Cc1ccc(S(=O)(=O)NC(=O)C2CC(O)C(O)CC2C(=O)O)cc1,CHEMBL3402251,6.86
+Cc1ccc(S(=O)(=O)NC(=O)C2CC(C)(O)C(O)CC2C(=O)O)cc1,CHEMBL3402252,6.91
+Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H](C(=O)O)[C@]3(Cl)C(Cl)(Cl)[C@]2(Cl)[C@@](O)(Cl)[C@]3(O)Cl)cc1,CHEMBL3402253,7.23
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401465,6.37
+CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402958,7.64
+CCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402959,7.89
+CCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL1338403,8.14
+C=CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402960,7.92
+C#CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402961,7.54
+NS(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL3402962,7.69
+NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1,CHEMBL3402963,7.62
+NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL3402964,7.59
+NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1,CHEMBL3402965,7.56
+NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3402966,8.85
+NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1,CHEMBL3402967,8.11
+NS(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1,CHEMBL3402968,7.38
+NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1,CHEMBL3402969,7.66
+NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1,CHEMBL3402970,7.5
+NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1,CHEMBL3402971,8.12
+NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1,CHEMBL3402972,7.28
+C#CCN(CC#C)c1ccc(S(N)(=O)=O)cc1,CHEMBL3402973,5.75
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F,CHEMBL3402974,8.04
+OC1CCCN(C(=S)S)C1,CHEMBL3400805,7.22
+S=C(S)N1CCCCC1,CHEMBL3400804,7.52
+S=C(S)N[C@@H]1CN2CCC1CC2,CHEMBL3400803,7.18
+S=C(S)N[C@H]1CN2CCC1CC2,CHEMBL3400802,7.72
+S=C(S)NC1CN2CCC1CC2,CHEMBL3400801,7.31
+OCCCCCNC(=S)S,CHEMBL3400800,7.76
+OCCCCNC(=S)S,CHEMBL3400799,7.61
+OCCCNC(=S)S,CHEMBL3400798,7.38
+CN(C)CCNC(=S)S,CHEMBL3400797,7.45
+O=C(O)C1CCCCN1C(=S)S,CHEMBL3400156,7.1
+O=C(O)C1CCCN(C(=S)S)C1,CHEMBL3400806,7.34
+O=C(O)[C@@H]1CCCN(C(=S)S)C1,CHEMBL3400807,7.09
+O=C(O)[C@H]1CCCN(C(=S)S)C1,CHEMBL3400808,8.05
+O=C(O)C1CCN(C(=S)S)CC1,CHEMBL3400809,7.1
+CC(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400810,7.32
+CC(C)(C)C(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400811,7.88
+CC1COCCN1C(=S)S,CHEMBL3400812,7.22
+O=C(O)C1COCCN1C(=S)S,CHEMBL3400813,7.11
+O=C(CN1CCN(C(=S)S)CC1)NC1CCCCC1,CHEMBL3400814,7.17
+S=C(S)NCCc1ccccc1,CHEMBL3400815,6.97
+NS(=O)(=O)c1ccc(CCNC(=S)S)cc1,CHEMBL3400816,7.32
+NS(=O)(=O)c1nnc(NCc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)s1,CHEMBL3410763,8.57
+C#CCN(CC#C)c1nnc(S(N)(=O)=O)s1,CHEMBL3410761,6.7
+NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)s1,CHEMBL3410759,6.7
+NS(=O)(=O)c1nnc(N(Cc2cn(-c3ccccc3)nn2)Cc2cn(-c3ccccc3)nn2)s1,CHEMBL3410758,7.08
+NS(=O)(=O)c1nnc(NCc2cn(-c3ccccc3)nn2)s1,CHEMBL3410762,8.04
+NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(-c3ccccc3)nn2)s1,CHEMBL3410760,6.94
+NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1,CHEMBL3040927,6.43
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)S2)cc1,CHEMBL3416235,7.89
+O=C1N=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S/C1=C/c1coc2ccccc2c1=O,CHEMBL3416240,5.97
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccccc2)cc1,CHEMBL3416241,7.12
+Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)no1,CHEMBL3416242,5.95
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccc(Cl)cc2)cc1,CHEMBL3416247,6.14
+COc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423252,6.22
+Cc1cccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423251,6.21
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2)cc1,CHEMBL3423250,6.41
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)cc(Br)c2O)cc1,CHEMBL3423249,6.42
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2O)cc1,CHEMBL3421649,6.32
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)ccc2O)cc1,CHEMBL3423253,6.38
+Cc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423254,6.36
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1,CHEMBL3423255,6.44
+NS(=O)(=O)c1ccc(CC/N=C\c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423256,6.09
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423257,6.56
+CN(C)c1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423258,6.43
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423267,7.53
+CN(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423268,7.97
+NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1,CHEMBL3423259,6.96
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3423260,6.5
+Cc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423261,8.07
+COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423262,7.9
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1,CHEMBL3423263,8.12
+Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423264,8.34
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1,CHEMBL3423265,8.18
+NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423266,8.38
+Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl,CHEMBL3582349,9.11
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1,CHEMBL3582348,8.57
+CC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3582347,9.52
+CC(C)Oc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3582346,8.41
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1,CHEMBL3582345,8.59
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585749,5.15
+COc1cccc(OC)c1C(C)NS(N)(=O)=O,CHEMBL3585784,9.86
+COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1,CHEMBL3585783,9.42
+COc1ccc(C(C)NS(N)(=O)=O)cc1OC,CHEMBL3585782,9.34
+COc1ccc(C(C)NS(N)(=O)=O)cc1,CHEMBL3585781,9.17
+COc1ccccc1C(C)NS(N)(=O)=O,CHEMBL3585780,9.72
+COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3585779,9.98
+COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1,CHEMBL3585778,10.31
+COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC,CHEMBL3585777,10.05
+COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1,CHEMBL3585776,9.81
+COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3585775,10.22
+Nc1nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)nc2n[nH]cc12,CHEMBL3594406,6.65
+NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(=O)cc(O)[nH]3)sc2c1,CHEMBL3594405,8.05
+Nc1cc(=O)nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)[nH]1,CHEMBL3594404,8.02
+Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594407,8.04
+Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)n2N)cc1Cl,CHEMBL3594408,8.03
+Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594409,8.05
+NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1,CHEMBL3594410,7.34
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1N,CHEMBL3594411,8.05
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(N)c1C#N,CHEMBL3594412,8.07
+Nc1ncnc2c1cnn2CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594413,8.33
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2ncnc(N)c12,CHEMBL3594414,8.07
+NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c(=O)nc[nH]c43)sc2c1,CHEMBL3594415,8.08
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2[nH]cnc(=O)c12,CHEMBL3594416,8.26
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1NC(=S)Nc1ccccc1,CHEMBL3594417,8.39
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(NC(=S)Nc2ccccc2)c1C#N,CHEMBL3594418,8.33
+NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(S(N)(=O)=O)cc4s3)sc2c1,CHEMBL3594419,8.46
+NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(C(=S)Nc4nc5ccc(S(N)(=O)=O)cc5s4)CC3)sc2c1,CHEMBL3594420,8.43
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)NCCN/C(=N/c1nc2ccc(S(N)(=O)=O)cc2s1)SC,CHEMBL3594421,8.46
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)N1CCN(/C(=N/c2nc3ccc(S(N)(=O)=O)cc3s2)SC)CC1,CHEMBL3594422,8.33
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3601602,8.0
+Cc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1,CHEMBL3601880,4.54
+N#Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601886,7.84
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1,CHEMBL3601885,7.14
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1,CHEMBL3601884,7.83
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CCCCC2)cc1,CHEMBL3601883,7.81
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1,CHEMBL3601882,7.04
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1,CHEMBL3601881,5.67
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3F)n2C2CCCCC2)cc1,CHEMBL3601887,7.97
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1,CHEMBL3601888,7.29
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1,CHEMBL3601889,7.81
+Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601890,7.84
+COc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601891,7.43
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1,CHEMBL3601892,10.15
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1,CHEMBL3601893,7.57
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3601532,7.74
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3601531,7.14
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL3601530,7.93
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(Br)cc4)n3)CC2)cc1,CHEMBL3601538,8.92
+COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1,CHEMBL3601537,8.04
+COc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601536,7.95
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1C,CHEMBL3601535,7.95
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601534,7.8
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3601533,7.77
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1,CHEMBL3601539,8.96
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cc5ccccc5o4)n3)CC2)cc1,CHEMBL3601540,9.0
+O=C(Nc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL3601541,7.03
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,CHEMBL3601542,7.09
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1,CHEMBL3601543,5.23
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3601544,6.28
+Cc1cccc(N2CCN(C(=O)Nc3ccc(O)cc3)CC2)c1,CHEMBL3601545,5.85
+CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601464,9.52
+CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601463,9.59
+CC(=O)N1N=C(c2ccc(F)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601462,8.77
+COc1ccc(C2=NN(C(C)=O)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601461,8.96
+CC(=O)N1N=C(c2ccc(C)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601460,9.27
+CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601459,9.77
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601395,8.26
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601394,8.51
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601393,8.85
+COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601392,8.82
+Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601391,9.22
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601390,7.96
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1,CHEMBL3604509,7.89
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1,CHEMBL3604416,7.8
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1,CHEMBL3604415,6.02
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL3604414,5.03
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1,CHEMBL3604413,6.29
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1,CHEMBL3604412,6.15
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL3604411,7.01
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL3604410,6.1
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL3604409,6.03
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL3604404,5.01
+Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1,CHEMBL3608870,10.3
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1,CHEMBL3608871,11.0
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1,CHEMBL3608872,10.7
+Cc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1,CHEMBL3608875,8.15
+Cc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608876,7.19
+Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608877,6.55
+COc1ccc(-c2cnc(C)o2)cc1S(N)(=O)=O,CHEMBL3608878,5.35
+COc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608879,5.05
+COc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608880,7.24
+Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608881,11.0
+Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608882,9.55
+COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608883,11.0
+COc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608884,10.3
+Cc1ncc(-c2ccc(S(N)(=O)=O)s2)o1,CHEMBL3608885,8.2
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1,CHEMBL3608886,8.32
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1,CHEMBL3608887,11.0
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1,CHEMBL3608888,11.0
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1,CHEMBL3608889,10.7
+Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1,CHEMBL3608890,11.0
+NS(=O)(=O)c1cc(-c2cnc(C3CC3)o2)cs1,CHEMBL3608891,8.6
+NS(=O)(=O)c1cc(-c2cnc(C3CCC3)o2)cs1,CHEMBL3608892,11.0
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1,CHEMBL3608893,10.7
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1,CHEMBL3608894,10.52
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1,CHEMBL3609195,7.06
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL1736901,8.19
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL3609196,7.64
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3609197,7.5
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3609198,7.83
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3609199,8.6
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3609200,6.14
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL3609201,8.27
+COc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609475,8.72
+COc1cccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1,CHEMBL3609476,8.77
+COc1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL1714980,8.05
+CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL3609477,6.87
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,CHEMBL3609478,9.12
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1,CHEMBL3609479,8.39
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,CHEMBL3609480,7.58
+N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609481,8.17
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,CHEMBL3609482,8.24
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O,CHEMBL3609433,8.3
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O,CHEMBL3609432,8.52
+NOS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3609431,9.0
+NS(=O)(=O)ONC(=O)OCc1ccccc1,CHEMBL3609430,8.3
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609434,8.22
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609435,8.4
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)O[C@H]1C,CHEMBL3609436,8.3
+NOS(=O)(=O)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3608320,8.1
+NOS(=O)(=O)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3609437,6.66
+NOS(=O)(=O)NC1C=C[C@H](O)CO1,CHEMBL3609438,8.52
+NOS(=O)(=O)NC1C=C[C@@H](O)CO1,CHEMBL3609439,8.22
+C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O,CHEMBL3609440,8.4
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL3613286,8.74
+CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H]1OC(C)=O,CHEMBL3613285,7.13
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613284,8.2
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613283,8.43
+NS(=O)(=O)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3613287,7.28
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1,CHEMBL3613783,8.17
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(O)ccc32)cc1,CHEMBL3613782,7.82
+COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3613781,8.24
+NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1,CHEMBL3613780,8.11
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1,CHEMBL3613779,7.98
+COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2,CHEMBL3613778,8.02
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1,CHEMBL3613777,8.33
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2,CHEMBL3613776,8.23
+NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1,CHEMBL3613775,7.95
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(N)cc1,CHEMBL3623633,6.19
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL3623632,6.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL3623631,6.19
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(N)c1,CHEMBL3623634,6.3
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL3623635,7.0
+Cc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623636,6.02
+COc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623637,6.43
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3623638,6.22
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)c(C)c1,CHEMBL3623639,6.32
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL3623640,6.33
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL3623641,6.42
+Cc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623642,6.41
+COc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623643,6.6
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1,CHEMBL3623644,6.35
+Cc1cc(C)c(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)c(C)c1,CHEMBL3623645,6.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL3623646,6.3
+O=C(O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623671,7.0
+Cc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12,CHEMBL3623676,5.01
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL150,5.02
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,5.43
+C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL2262641,5.2
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL233930,6.77
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1O,CHEMBL3628129,5.06
+CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O,CHEMBL3628130,5.16
+O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL457077,5.02
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1,CHEMBL3627999,4.25
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1,CHEMBL3627998,4.01
+Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1,CHEMBL1885189,4.71
+Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1,CHEMBL1885780,4.74
+COC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL1569191,4.25
+Nc1c(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633554,7.71
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2-c2ccccc2)cc1,CHEMBL3633379,7.93
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2-c2ccccc2)cc1,CHEMBL3633380,8.0
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc2-c2ccccc2)cc1,CHEMBL3633381,8.19
+Cc1ccc2c(c1)/C(=N/NC(=O)c1cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n1)C(=O)N2,CHEMBL3633382,8.23
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633383,8.37
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)c2-c2ccccc2)cc1,CHEMBL3633384,8.34
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)c2-c2ccccc2)cc1,CHEMBL3633385,8.26
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-c1ccccc1)C(=O)N2,CHEMBL3633386,8.46
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c2-c2ccccc2)cc1,CHEMBL3633547,7.5
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633548,7.75
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633549,8.54
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633550,8.42
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633551,8.49
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1N)C(=O)N2,CHEMBL3633552,8.35
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633553,7.64
+COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632825,8.05
+CC(C)(C)OC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632826,7.38
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3632827,8.21
+NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632828,8.28
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCO)cc2)cc1,CHEMBL3632829,7.94
+NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3632830,7.94
+Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632831,7.975
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,CHEMBL3632832,8.37
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1,CHEMBL3632833,8.31
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1,CHEMBL3632834,6.34
+COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632835,8.11
+COC(=O)c1ccc(C(O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632836,8.18
+COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632837,7.3
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632838,8.32
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632839,6.09
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632840,8.16
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632841,7.2
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632842,8.23
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632843,7.4
+Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632844,7.06
+Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632845,8.28
+Cc1ncc([N+](=O)[O-])n1CCOS(=O)(=O)ON,CHEMBL3654431,7.47
+Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON,CHEMBL3654432,8.0
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741546,8.05
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3742377,7.98
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741601,7.86
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3741011,7.36
+NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1,CHEMBL3741975,7.44
+NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1,CHEMBL3740300,6.9
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc(S(N)(=O)=O)c5)nn4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3740484,7.06
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C,CHEMBL3752037,5.07
+CCCCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL3754185,5.11
+COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752196,5.05
+COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL3754723,5.3
+Cc1ccc2c(n1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752481,8.1
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1,CHEMBL3754807,8.03
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752163,6.66
+COc1ccc2c(c1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752794,7.2
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1,CHEMBL3753359,7.02
+Cc1ccc2c(n1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3753066,5.13
+CN(CC(=O)O)c1ccc2c(c1)-c1cccnc1SC2,CHEMBL3752729,6.2
+COc1ccc2c(c1)SCc1ccc(NCC(=O)O)cc1-2,CHEMBL3753865,5.37
+COc1ccc2c(c1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3752864,5.27
+Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752602,8.12
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1,CHEMBL3753927,8.15
+COc1ccc2c(c1)SCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3751874,8.13
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752378,8.07
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,CHEMBL3760079,6.59
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1,CHEMBL3758997,6.6
+Cc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758347,6.58
+COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL271911,6.33
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1,CHEMBL3758993,6.61
+Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL429915,6.33
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1,CHEMBL3759717,6.39
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758702,6.54
+CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL270671,6.48
+NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1,CHEMBL3758614,8.09
+NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3759587,8.68
+Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758537,8.66
+COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1579806,8.74
+NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1,CHEMBL3760099,8.47
+Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3758188,8.72
+NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1,CHEMBL248691,8.59
+NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3759307,8.46
+NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758586,8.64
+CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3759945,8.72
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCCC4)ccc2=O)cc1,CHEMBL3760111,8.67
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cc4ccccc4)cc3)ccc2=O)cc1,CHEMBL3758698,8.72
+CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3759134,8.54
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c5c(cccc35)CC4)ccc2=O)cc1,CHEMBL3759757,8.54
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCC4)ccc2=O)cc1,CHEMBL3758504,8.67
+CCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3759464,8.55
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1,CHEMBL3760118,8.94
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1,CHEMBL3759894,9.01
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)ccc2=O)cc1,CHEMBL3758784,8.73
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1,CHEMBL3759883,8.59
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Br)cc3)ccc2=O)cc1,CHEMBL3758388,8.49
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1,CHEMBL3759344,8.28
+CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3759567,5.76
+CC1=CC(=O)N(CC(=O)c2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3759876,6.85
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1,CHEMBL3759678,5.99
+Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3765191,7.55
+Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3764707,7.8
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3765561,6.94
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3763581,8.11
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3764098,8.08
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765057,8.12
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3765409,8.0
+Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3765390,8.04
+COc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764657,7.84
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3589744,6.8
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3589808,6.23
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3589200,5.78
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3763750,6.06
+Cc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764056,7.48
+COc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764810,6.16
+NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3764182,9.1
+Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3764580,8.92
+CC(C)c1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3763192,9.01
+NS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1,CHEMBL3763914,9.16
+NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1,CHEMBL3765495,8.68
+COC(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763795,7.85
+Nc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763967,8.03
+N#Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3763508,8.92
+NS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1,CHEMBL3763884,7.95
+COc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL3764506,7.72
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1,CHEMBL3764147,6.12
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3765255,6.49
+NS(=O)(=O)c1ccc(-c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)cc1,CHEMBL3763625,6.4
+NS(=O)(=O)c1ccc(-c2cccnc2)cc1,CHEMBL3763387,7.78
+NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1,CHEMBL3764628,8.6
+NS(=O)(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1,CHEMBL3764718,9.02
+NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1,CHEMBL3764921,7.74
+NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CHEMBL3765197,9.17
+NS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1,CHEMBL3764569,7.93
+NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1,CHEMBL3764340,7.99
+COc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc2c1,CHEMBL3765726,6.12
+NS(=O)(=O)c1ccc(-c2cc3ccccc3o2)cc1,CHEMBL3763167,9.15
+NS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1,CHEMBL3763841,9.08
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3763880,8.16
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1,CHEMBL3763861,8.28
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3763168,9.51
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Br)cccc3c2=O)cc1,CHEMBL3765244,8.24
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3764181,8.89
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,CHEMBL3765404,8.11
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(I)cccc3c2=O)cc1,CHEMBL3765033,8.12
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(F)cccc3c2=O)cc1,CHEMBL3765739,8.11
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3763607,8.17
+Cc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3765657,8.23
+Cc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3765745,9.6
+Cc1cc(C)c2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764536,7.97
+COc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3763255,8.12
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3764423,7.98
+COc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764087,8.03
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1OC,CHEMBL3765532,9.21
+COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3763877,9.46
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccccc21,CHEMBL3785153,6.14
+Cc1ccc2c(c1)/C(=N/c1ccccc1S(N)(=O)=O)C(=O)N2,CHEMBL3785735,6.15
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(F)cc21,CHEMBL3787489,6.37
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(Cl)cc21,CHEMBL3786965,6.19
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21,CHEMBL3787148,6.17
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccccc32)c1,CHEMBL3785467,6.21
+Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2,CHEMBL3633555,6.25
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)c1,CHEMBL3786477,6.32
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)c1,CHEMBL3787586,6.26
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(F)cc32)c1,CHEMBL3785591,6.58
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1,CHEMBL3785846,6.6
+NS(=O)(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1,CHEMBL1369708,6.28
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc21,CHEMBL3785209,6.26
+Cc1ccc2c(c1)/C(=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2,CHEMBL3787222,6.34
+Cc1ccc2c(c1)/C(=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2C,CHEMBL3785654,6.31
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1,CHEMBL3786724,6.33
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(F)ccc21,CHEMBL3786969,6.36
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1,CHEMBL3787472,6.51
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21,CHEMBL3785827,6.34
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Br)ccc21,CHEMBL3786062,6.29
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1,CHEMBL3787255,6.63
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CHEMBL3765353,6.79
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21,CHEMBL3785289,7.0
+CN(C)C(=O)NC1CCc2cc(O)ccc2C1,CHEMBL3785391,8.58
+CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1,CHEMBL3786937,8.55
+COc1ccc2c(c1)CC(NS(=O)(=O)N(C)C)CC2,CHEMBL3786448,8.72
+COc1ccc2c(c1)CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3787223,8.69
+COc1cccc2c1CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3785269,8.79
+COc1ccc2c(c1)C[C@@H](NC(=O)N(C)C)CC2,CHEMBL3787502,8.73
+COc1ccc2c(c1)CCC(NC(=O)N(C)C)C2,CHEMBL3786516,8.66
+COc1cccc2c1CC[C@H](NC(=O)N(C)C)C2,CHEMBL3786651,8.57
+CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1,CHEMBL3785207,8.55
+CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1,CHEMBL3786873,8.61
+CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1,CHEMBL3786442,8.63
+CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1,CHEMBL3786719,8.74
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805723,7.77
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806010,7.77
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805133,7.31
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805080,7.72
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3804879,6.81
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805601,6.97
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805263,6.81
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805545,7.72
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806081,7.76
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804902,7.67
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3806054,7.76
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804909,7.73
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805892,7.81
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805886,7.02
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3806068,7.21
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805861,6.47
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805418,5.73
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3804869,5.94
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12,CHEMBL2316106,6.67
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12,CHEMBL2316107,5.86
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12,CHEMBL2316108,6.98
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O,CHEMBL3805222,7.88
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Cl)ccc2oc1=O,CHEMBL3805906,6.12
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O,CHEMBL3805919,5.76
+N#Cc1c(-c2ccccc2)[nH]c(NNc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1=O,CHEMBL3810023,8.15
+NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1,CHEMBL3808852,6.54
+NS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1,CHEMBL3809959,9.33
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1,CHEMBL3809207,9.24
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)cs2)cc1,CHEMBL3808746,9.21
+NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3808876,9.39
+N=C(N)NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809123,9.28
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(C(=O)O)cc3)S2)cc1,CHEMBL3809540,8.36
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(Cl)cc3)S2)cc1,CHEMBL3809527,8.39
+NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809698,8.26
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809966,8.38
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1,CHEMBL3809038,8.57
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3808553,8.6
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3810298,8.64
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)n2)cc1,CHEMBL3809086,8.72
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3808953,8.82
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1,CHEMBL3814718,7.49
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814802,8.26
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814664,8.32
+CSc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814887,8.17
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3813758,8.29
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL3814764,7.33
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL3815152,8.36
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL3814117,8.57
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL3814808,8.64
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL3814309,8.47
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL3814242,9.1
+Nc1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL3813924,8.55
+NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL3814487,8.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL3814449,8.0
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814291,7.77
+CSc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814927,8.62
+CCc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3815009,7.26
+Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814420,8.66
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Br)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814976,8.55
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814523,9.3
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL3814942,8.06
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O,CHEMBL3814163,8.36
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382402,8.29
+CCC(Sc1nc(=O)c(C#N)c(-c2cccc(OC)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382405,8.19
+N#Cc1c(-c2ccc(Cl)cc2)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1=O,CHEMBL2382337,8.12
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)cc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382401,8.3
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(F)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382403,8.21
+Nc1nnc(S(=O)(=O)N[N+](=O)[O-])s1,CHEMBL3819458,5.34
+N#CCNc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1,CHEMBL3818392,5.87
+Nc1cccc(S(=O)(=O)N[N+](=O)[O-])c1,CHEMBL3819290,5.29
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,7.06
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,7.89
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,7.18
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,5.75
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,8.07
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,8.06
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,7.43
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,8.03
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,8.09
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,7.74
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,CHEMBL325041,5.94
+COc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828573,7.5
+COc1cc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC,CHEMBL3827113,8.96
+COc1cc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3827090,7.97
+COc1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3828241,9.16
+COc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827651,9.0
+Cc1cc(C)c2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3828605,9.07
+Cc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828646,8.92
+Cc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827381,7.25
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(I)cc3c2=O)cc1,CHEMBL3828520,9.15
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3828641,9.04
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3828598,9.11
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3828207,8.19
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3828667,8.04
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1,CHEMBL1433252,9.21
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1,CHEMBL1383680,7.91
diff --git a/chembl_200/CHEMBL2056.csv b/chembl_200/CHEMBL2056.csv
new file mode 100644
index 0000000000000000000000000000000000000000..bea310eb382bdc7187c66e33bdf741d41cc73de7
--- /dev/null
+++ b/chembl_200/CHEMBL2056.csv
@@ -0,0 +1,839 @@
+Cc1cccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)c1,CHEMBL304535,9.4
+Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1,CHEMBL303012,8.8
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3C[C@@H]21,CHEMBL307790,8.15
+Cc1ccccc1[C@H]1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL444321,9.1
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@H]21,CHEMBL58422,6.29
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21,CHEMBL56666,6.27
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@H]21,CHEMBL294012,6.05
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL298406,8.82
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3ccoc23)C1,CHEMBL71600,8.22
+CN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1,CHEMBL63321,6.72
+CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL293828,6.75
+CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL303993,8.18
+Oc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1,CHEMBL65397,6.85
+CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1,CHEMBL293158,6.35
+Oc1cc2c(cc1Cl)CNC[C@H]2c1ccccc1,CHEMBL59603,6.55
+CN1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1,CHEMBL302393,7.06
+CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1,CHEMBL64117,7.57
+Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CHEMBL588,7.4
+CN(C)C1CCc2cc(O)c(O)cc2C1,CHEMBL611801,5.27
+C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1,CHEMBL317741,7.7
+C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1,CHEMBL34095,8.52
+NCCc1cccc(O)c1,CHEMBL145584,4.32
+CCCN(CCc1ccc(C)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL1159663,5.31
+CCCN(CCc1ccc(C)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2092940,6.57
+CCCN(CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL606939,5.19
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,6.49
+CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1,CHEMBL324017,9.52
+CCCN(CCc1ccc(N)cc1)C1CCc2c(O)cccc2C1,CHEMBL111532,6.15
+CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1,CHEMBL109684,6.09
+O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)Nc3ccc(C4CNCCc5cc(O)c(O)cc54)cc3)cc21,CHEMBL538023,5.0
+CN1CCc2cc(Br)c(O)cc2C(c2ccc(N)cc2)C1,CHEMBL321042,8.64
+CN1CCc2cc(Br)c(O)cc2C(c2ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc2)C1,CHEMBL322760,8.28
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL113196,6.89
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL113527,5.43
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL320779,4.62
+CN1CCc2cc(Br)c(O)cc2C(c2ccc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)C1,CHEMBL321223,7.8
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL109897,6.59
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)C1CCc2c(O)cccc2C1,CHEMBL109787,6.77
+O=C(CCCN1CCC2(CC1)C(=O)N(CCc1ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL92649,7.0
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)C1CCc2c(O)cccc2C1,CHEMBL320526,6.47
+CN1C[C@H](C(N)=O)C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]21,CHEMBL609151,5.87
+Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1,CHEMBL1160787,7.52
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,7.09
+CN1CCc2cc(I)c(O)cc2[C@@H](c2ccc([N-][N+]#N)cc2)C1,CHEMBL356597,7.55
+C=CCN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1,CHEMBL543473,9.05
+C=CCN1CCc2ccc(O)cc2C(c2ccccc2)C1,CHEMBL534678,7.32
+CN1CCc2ccc(O)cc2[C@@H](c2ccccc2)C1,CHEMBL1744078,8.22
+C=CCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL543704,8.92
+CN1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL1744079,9.24
+Oc1ccc2c(c1)C(c1ccccc1)CNCC2,CHEMBL543472,6.15
+Oc1cc2c(cc1Cl)CCNCC2c1ccccc1,CHEMBL540857,8.31
+Oc1cc2c(cc1Br)CCNCC2c1ccccc1,CHEMBL557799,8.39
+Oc1cc2c(c(Br)c1O)CCNCC2c1ccccc1,CHEMBL541559,7.92
+CN1CCc2c(Cl)c(O)c(O)c(Cl)c2C(c2ccccc2)C1,CHEMBL544118,5.68
+C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1,CHEMBL552611,7.92
+C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccccc2)C1,CHEMBL544115,8.26
+CN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1,CHEMBL545000,8.06
+Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1,CHEMBL553503,8.15
+CN1CCc2c(cc(O)c(O)c2Br)C(c2ccccc2)C1,CHEMBL554009,8.92
+C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccccc2)C1,CHEMBL544114,8.3
+CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccccc2)C1,CHEMBL543398,9.05
+NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL291143,7.68
+CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL28338,7.31
+CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL544814,5.52
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,7.31
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,6.68
+CCCCc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL283247,6.05
+Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4,CHEMBL287513,6.25
+Oc1cc2c(cc1O)[C@H]1c3cnccc3CN[C@@H]1CC2,CHEMBL28054,5.96
+Oc1cc2c(cc1O)[C@H]1c3cncc(F)c3CN[C@@H]1CC2,CHEMBL26365,6.41
+Oc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2,CHEMBL281932,7.19
+CCCc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL26965,7.35
+Cc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL27117,6.85
+Cc1cncc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL282136,5.96
+Oc1cc2c(cc1O)[C@H]1c3ccc(F)nc3CN[C@@H]1CC2,CHEMBL27101,6.74
+COc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL285924,7.31
+Cc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL275379,6.62
+Oc1cc2c(cc1O)[C@H]1c3ccncc3CN[C@@H]1CC2,CHEMBL284644,6.85
+Cc1cc2c(nc1C)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL284959,6.55
+CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1,CHEMBL100454,7.18
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1,CHEMBL1125,6.69
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)([O-])CC1,CHEMBL440512,6.4
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL139600,5.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,6.12
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,5.64
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL139926,5.61
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL140968,5.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1,CHEMBL141419,6.42
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,CHEMBL342060,5.82
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[te]1,CHEMBL337531,5.85
+COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL357684,5.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,CHEMBL336930,5.7
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL140612,5.66
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL423735,5.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL424294,6.135
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,CHEMBL344677,5.92
+COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL139722,5.92
+COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1,CHEMBL141845,5.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL142020,5.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,5.83
+COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2,CHEMBL184049,7.45
+CN1CCOc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL184050,8.49
+O=C(c1ccccc1)c1ccccc1OCCN1CCCC1,CHEMBL364586,5.78
+OC(c1ccccc1)c1ccccc1OCCN1CCCC1,CHEMBL185875,5.58
+CN(C)CCOc1ccccc1Cc1ccccc1,CHEMBL186720,6.46
+CCN(CC)CCOc1ccccc1Cc1ccccc1,CHEMBL366265,5.71
+c1ccc(Cc2ccccc2OCCN2CCCC2)cc1,CHEMBL435505,6.42
+c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,CHEMBL364565,7.47
+c1ccc(Cc2ccccc2OCCN2CCOCC2)cc1,CHEMBL365697,6.7
+CC1CN(CCOc2ccccc2Cc2ccccc2)CCO1,CHEMBL184724,5.78
+c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL184073,5.83
+c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,CHEMBL187367,6.95
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,7.66
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,7.2
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,6.6
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,7.08
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,6.81
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.72
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,8.4
+CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL611207,6.745
+CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL608530,5.96
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,5.44
+Cc1cccc(N2CCN(CCc3ccc4n[nH]nc4c3)CC2)c1C,CHEMBL184770,5.33
+c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1,CHEMBL363124,5.24
+COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1,CHEMBL183776,6.09
+CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1,CHEMBL201584,6.13
+c1ccc2c(c1)CCN(CC1CC1)CCc1c([nH]c3ccccc13)C2,CHEMBL201432,6.12
+COc1cc2c(cc1OC)Cc1ccccc1CCN(C)CC2,CHEMBL202924,6.29
+O=c1[nH]c2[nH]c(-c3ccc(Cl)cc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL199876,6.26
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370136,6.57
+Cc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370364,6.41
+O=c1[nH]c2[nH]c(-c3ccccc3Cl)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL443567,6.25
+COc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL197656,5.07
+Cc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL200802,5.98
+O=c1[nH]c2[nH]c(-c3ccccc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL203362,6.29
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,5.13
+COc1ccc2c(c1)CCN(C)CCc1ccccc1C2,CHEMBL380330,7.582000000000001
+COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2,CHEMBL204065,7.8
+CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1,CHEMBL381936,8.59
+COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2,CHEMBL203734,7.535
+CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1,CHEMBL204098,7.855
+CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1,CHEMBL383451,8.455
+CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1,CHEMBL203637,9.17
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.79
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,CHEMBL208847,6.11
+O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL426863,6.24
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL209876,6.01
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL210461,5.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL210567,6.245
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Oc3ccccc3)c3ccccc32)CC1,CHEMBL214407,7.29
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3-n3ccnc3)c3ccccc32)CC1,CHEMBL212844,7.06
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CCN(C)CC3)c3ccccc32)CC1,CHEMBL210016,6.63
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CCCCC3)c3ccccc32)CC1,CHEMBL212383,8.11
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3NC3CCCCC3)c3ccccc32)CC1,CHEMBL212186,7.21
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cnc4ccccc4c3)c3ccccc32)CC1,CHEMBL213444,7.55
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4n3)c3ccccc32)CC1,CHEMBL213443,8.0
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3nccc4ccccc34)c3ccccc32)CC1,CHEMBL213278,7.64
+CCOc1ccc2ccccc2c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL378512,7.19
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4c3)c3ccccc32)CC1,CHEMBL213882,8.13
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL213834,8.42
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccnc3Cl)c3ccccc32)CC1,CHEMBL384500,7.96
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c3ccccc32)CC1,CHEMBL405751,7.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccon3)c3ccccc32)CC1,CHEMBL213372,7.66
+CCOc1c(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)sc2ccccc12,CHEMBL378914,7.55
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3sccc3-c3ccccc3)c3ccccc32)CC1,CHEMBL384916,7.41
+CCOc1csc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL437112,8.0
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccsc3)c3ccccc32)CC1,CHEMBL212896,8.05
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccs3)c3ccccc32)CC1,CHEMBL379874,7.85
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccco3)c3ccccc32)CC1,CHEMBL426868,7.82
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL377756,8.15
+Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213424,8.49
+Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213336,8.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,CHEMBL378669,8.59
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL213492,8.6
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL425069,8.8
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(Cl)cc(Cl)c3)c3ccccc32)CC1,CHEMBL427230,7.62
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c3ccccc32)CC1,CHEMBL213881,8.4
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cccc3Cl)c3ccccc32)CC1,CHEMBL386122,8.47
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1,CHEMBL212077,7.92
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212912,8.395
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3F)c3ccccc32)CC1,CHEMBL213477,7.92
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(I)c3)c3ccccc32)CC1,CHEMBL377584,8.44
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(Cl)c3)c3ccccc32)CC1,CHEMBL213084,8.4
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(F)c3)c3ccccc32)CC1,CHEMBL213083,7.33
+COc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL214016,7.89
+Cc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL213793,8.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc32)CC1,CHEMBL378886,7.17
+COc1ccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL215885,7.33
+Cc1ccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL213795,8.11
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)cc3)c3ccccc32)CC1,CHEMBL214142,7.46
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Br)cc3)c3ccccc32)CC1,CHEMBL213775,7.85
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3)c3ccccc32)CC1,CHEMBL212608,6.8
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C3CCCCC3)c3ccccc32)CC1,CHEMBL213388,7.38
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C3CCC3)c3ccccc32)CC1,CHEMBL376928,6.82
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)/C=C/c3ccccc3)c3ccccc32)CC1,CHEMBL386424,6.99
+COc1ccc(CCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1Cl,CHEMBL215950,7.25
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)CCc3ccccc3)c3ccccc32)CC1,CHEMBL215611,7.1
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)CCC3CCCC3)c3ccccc32)CC1,CHEMBL211461,6.95
+CCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL212597,6.81
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C(F)(F)F)c3ccccc32)CC1,CHEMBL212486,7.07
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C(C)(C)C)c3ccccc32)CC1,CHEMBL379757,7.01
+CC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL383869,6.31
+CN1CCN(C2=Nc3cc(Cl)ccc3N(N)c3ccccc32)CC1,CHEMBL215140,6.55
+CCCC(CCC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL215581,7.59
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL212807,7.96
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1,CHEMBL212936,7.92
+Cc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL379942,8.7
+COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC,CHEMBL213110,7.8
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccc(Cl)cc32)CC1,CHEMBL212700,6.89
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1,CHEMBL213466,7.01
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1,CHEMBL378341,7.62
+COc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)c1,CHEMBL384069,7.36
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C#N)c3)c3ccc(Cl)cc32)CC1,CHEMBL212402,7.33
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(C#N)cc3)c3ccc(Cl)cc32)CC1,CHEMBL378648,7.29
+COc1cccc(OC)c1C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL215414,8.22
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1,CHEMBL214503,8.15
+Cc1ccccc1C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL385295,7.32
+COc1cc(C(=O)NN2c3ccccc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC,CHEMBL377420,7.7
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccc(Cl)cc32)CC1,CHEMBL213472,7.08
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1,CHEMBL213145,6.81
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1,CHEMBL213193,7.66
+COc1cccc(C(=O)NN2c3ccccc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)c1,CHEMBL213239,7.07
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cccc(C#N)c3)c3ccc(Cl)cc32)CC1,CHEMBL213238,7.0
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccc(C#N)cc3)c3ccc(Cl)cc32)CC1,CHEMBL213201,7.19
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL378893,5.59
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3cccc4c3OC(F)(F)O4)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL379862,5.32
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL379286,6.62
+Cc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4N(NC(=O)c4ccccc4Cl)c4ccccc43)CC2)c(C)c1,CHEMBL386336,5.96
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3cccc4c3OCO4)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL377043,6.24
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3ccc(F)cc3F)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL377564,6.05
+FC(F)(F)Oc1cccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c1,CHEMBL215669,5.42
+FC1(F)Oc2cccc(CN3CCN(C4=Nc5cc(Cl)ccc5Nc5ccccc54)CC3)c2O1,CHEMBL384634,5.51
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc4c(c3)OCCO4)CC1)c1ccccc1N2,CHEMBL213577,6.23
+Cc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(C)c1,CHEMBL378301,6.32
+Clc1ccc2c(c1)N=C(N1CCN(Cc3cccc4c3OCO4)CC1)c1ccccc1N2,CHEMBL211915,6.2
+Fc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(F)c1,CHEMBL213200,6.08
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(Cc3ccccc3F)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL215641,6.3
+O=C(NN1c2ccc(Cl)cc2N=C(N2CCN(CC3CCCCC3)CC2)c2ccccc21)c1ccccc1Cl,CHEMBL216047,6.53
+CCC(CC)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212966,6.3
+CC(C)(C)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL385590,6.35
+CC(C)CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212950,7.09
+CC(C)N1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL379593,6.72
+CCCN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL213335,7.59
+CCN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL215842,7.27
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccncc3)c3ccccc32)CC1,CHEMBL384248,7.07
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccnc3)c3ccccc32)CC1,CHEMBL215997,7.07
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccccc32)CC1,CHEMBL212438,7.49
+COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc(OC)c1OC,CHEMBL379875,7.51
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(F)cc3C(F)(F)F)c3ccccc32)CC1,CHEMBL437917,7.31
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccccc32)CC1,CHEMBL213668,7.25
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(F)c3F)c3ccccc32)CC1,CHEMBL384269,7.8
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Br)c3ccccc32)CC1,CHEMBL377877,7.8
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1,CHEMBL380236,6.83
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C#N)c3)c3ccccc32)CC1,CHEMBL212905,7.21
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(C#N)cc3)c3ccccc32)CC1,CHEMBL212334,7.17
+COc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL379560,7.89
+COc1ccccc1CNN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL211910,7.22
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc32)CC1,CHEMBL212384,6.76
+Cc1ccccc1S(=O)(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL377452,7.15
+Cc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL209805,7.19
+Cc1ccccc1C(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL378543,5.91
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,7.01
+CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL216258,8.633
+CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1,CHEMBL216439,6.702999999999999
+CN1CCCc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL389356,7.86
+COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,CHEMBL397207,6.24
+CN1CCCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL394779,7.15
+COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,CHEMBL231374,6.86
+Oc1ccc2c(c1)CCCNCCc1ccccc1C2,CHEMBL396950,6.54
+COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,CHEMBL231171,7.63
+CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,CHEMBL389559,7.08
+COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,CHEMBL276778,7.695
+CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL231070,8.53
+COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,CHEMBL389357,7.54
+COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1,CHEMBL245764,8.7
+CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL245571,8.43
+COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2,CHEMBL396561,7.72
+CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1,CHEMBL245570,9.25
+COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3,CHEMBL396560,9.09
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL431298,6.92
+CC1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL404352,5.74
+CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253096,6.92
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,5.47
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,5.72
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,5.62
+CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,CHEMBL479587,7.43
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.79
+Oc1ccc2c(c1)CCNCCc1ccccc1C2,CHEMBL459871,7.2
+CCN1CCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL508399,8.43
+CN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3,CHEMBL455051,5.53
+COc1cc2c3c(c1)-c1c(N)cccc1C[C@H]3N(C)CC2,CHEMBL506721,7.11
+CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL482276,6.94
+CN1CCc2c3c(cc4nc(N)sc24)-c2c(ccc(O)c2O)C[C@H]31,CHEMBL520610,5.6
+CCCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL516580,7.51
+CCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL515342,8.0
+CCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL478671,7.92
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CC)c1-3,CHEMBL515187,7.74
+CCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL403550,7.64
+Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3Cl)c1,CHEMBL520992,8.857000000000001
+Oc1cc2c(c(-c3ccccc3)c1O)CCNCC2c1ccccc1,CHEMBL484352,6.46
+Cc1cccc(-c2c(O)c(O)cc3c2CCNCC3c2ccccc2)c1,CHEMBL484356,7.41
+Oc1cc2c(c(-c3ccc(Cl)cc3)c1O)CCNCC2c1ccccc1,CHEMBL485036,6.72
+Oc1cc2c(c(-c3ccc(F)cc3)c1O)CCNCC2c1ccccc1,CHEMBL485041,6.37
+Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNCC2c1ccccc1,CHEMBL485207,7.25
+Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)CC3c2cccc(C)c2)c1,CHEMBL484538,8.17
+Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1,CHEMBL520821,8.31
+O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084502,5.91
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL445102,6.14
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,5.41
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,5.52
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,5.77
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,6.9
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL457957,6.06
+CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459350,6.52
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.565
+CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517244,6.69
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,6.985
+CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459373,6.63
+CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517407,6.61
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,CHEMBL464811,6.06
+O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL455288,6.69
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,7.74
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.05
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,5.42
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,5.85
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,5.75
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,5.71
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1,CHEMBL184383,5.53
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL182379,6.05
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627323,6.03
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL366904,5.84
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1627324,6.0
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL175734,5.76
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1627304,6.17
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627305,5.33
+CCCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627309,5.3
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1,CHEMBL1627311,5.3
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL1627319,5.43
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1627320,5.18
+O=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1,CHEMBL477961,5.77
+O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL516270,5.76
+O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL517349,5.84
+COc1ccccc1N1CCN(CCCN2CCCc3ccccc3C2=O)CC1,CHEMBL476641,5.6
+O=C1c2ccccc2CCCN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL477446,5.31
+O=C1c2ccccc2CCCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477055,5.62
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccn2)CC1,CHEMBL477434,5.69
+O=C1c2ccccc2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477646,5.75
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL514382,6.46
+COc1cccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1,CHEMBL478688,6.37
+COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1,CHEMBL477206,5.57
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ccccn2)CC1,CHEMBL476185,6.55
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ncccn2)CC1,CHEMBL476393,5.06
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL476394,5.76
+COc1ccccc1N1CCN(CCCCCN2CCc3ccccc3C2=O)CC1,CHEMBL476808,6.01
+CN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL465054,7.06
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL517028,6.12
+CCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL562460,5.87
+CCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL564909,7.51
+CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL562935,6.91
+CCCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL550180,6.56
+CCCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL550792,6.17
+CCCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL560721,7.03
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574595,6.3
+Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5ncccn5)CC4)nn3)CCc3cc(O)c(O)cc32)c1,CHEMBL574627,6.02
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL585740,6.18
+Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5nsc6ccccc56)CC4)nn3)CCc3cc(O)c(O)cc32)c1,CHEMBL585741,6.66
+COc1ccccc1N1CCN(CCCn2cc(CN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL585742,6.31
+COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL582945,6.84
+COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574700,6.26
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,CHEMBL572708,6.87
+CSc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL566508,7.48
+CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL576756,7.37
+CN1CCc2cc(O)c(Cl)cc2CC1,CHEMBL340006,7.3
+CC1=NCCc2cc(Cl)c(O)cc2N1c1ccccc1,CHEMBL577050,6.7
+CC1=NCCc2cc(Cl)c(O)cc2N1Cc1ccccc1,CHEMBL568246,6.03
+CC1=NCCc2cc(Cl)c(O)cc2N1c1ccsc1,CHEMBL578122,7.06
+CC1=NCCc2cc(Cl)c(O)cc2N1c1ccc(C)cc1,CHEMBL583467,6.74
+CC1=NCCc2cc(Cl)c(O)cc2N1c1ccccc1C,CHEMBL576617,6.49
+CN(C)c1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2c2ccccc2)cc1,CHEMBL583672,6.81
+CN(C)c1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2C2CCCCC2)cc1,CHEMBL568459,6.43
+COc1ccc2cc(C3=NCCc4cc(Cl)c(O)cc4N3)ccc2c1,CHEMBL583890,6.7
+CC(C)CC1=NCCc2cc(Cl)c(O)cc2N1,CHEMBL568030,6.35
+Oc1cc2c(cc1Cl)CCN=C(c1ccccc1)N2,CHEMBL568031,6.32
+Oc1cc2c(cc1Cl)CCN=C(C1CCCCC1)N2,CHEMBL565946,6.55
+COc1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2)cc1,CHEMBL577540,6.69
+COc1ccc(C2CC2C2=NCCc3cc(Cl)c(O)cc3N2)cc1,CHEMBL577266,6.51
+Oc1cc2c(cc1Cl)CCN=C(C1CC1)N2,CHEMBL577267,5.82
+NC1=NCCc2cc(Cl)c(O)cc2N1,CHEMBL570836,4.99
+Oc1cc2c(cc1Cl)CCN=C(NC1CCCCC1)N2,CHEMBL584208,6.89
+Oc1cc2c(cc1Cl)CCN=C(NC1CCCC1)N2,CHEMBL576458,6.41
+Oc1cc2c(cc1Cl)CCN=C(NCCc1ccccc1)N2,CHEMBL568251,6.33
+Oc1cc2c(cc1Cl)CCN=C(SCc1ccccc1)N2,CHEMBL578800,6.35
+Oc1cc2c(cc1Cl)CCN=C(NC1CC1)N2,CHEMBL571061,6.24
+CNC1=NCCc2cc(Cl)c(O)cc2N1,CHEMBL577473,6.11
+CSC1=NCCc2cc(Cl)c(O)cc2N1,CHEMBL578571,6.05
+COc1ccc2c(c1)CCN1CCc3ccccc3C21,CHEMBL593395,5.67
+COc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL596448,6.74
+Oc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL593897,6.87
+COc1ccc2c(c1)CCN(C)Cc1ccccc1CC2,CHEMBL593394,5.76
+COc1ccc2c(c1)CCCN(C)Cc1ccccc1C2,CHEMBL594789,5.9
+CN1CCCc2cc(O)ccc2Cc2ccccc2C1,CHEMBL596179,5.68
+Cc1ccccc1CC1c2ccc(O)cc2CCN1C,CHEMBL594798,5.52
+COc1ccc2c(c1)CCN(C)C2Cc1ccccc1C,CHEMBL594127,5.63
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.05
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1,CHEMBL596622,9.05
+CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1,CHEMBL596824,9.7
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1,CHEMBL599282,9.3
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)cc2)C1,CHEMBL603901,9.3
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1,CHEMBL599487,9.22
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNc3ccccc3)cc2)C1,CHEMBL604108,8.7
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1,CHEMBL597702,9.15
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21,CHEMBL598515,8.15
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)C4CC4)cc3CC[C@@H]21,CHEMBL598516,8.64
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21,CHEMBL597909,9.3
+CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL600986,9.15
+CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL600987,8.82
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21,CHEMBL599977,9.15
+CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL603485,8.85
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21,CHEMBL591685,8.55
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)C4CC4)c3CC[C@@H]21,CHEMBL602659,8.24
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NS(C)(=O)=O)c3CC[C@@H]21,CHEMBL604135,8.33
+CCS(=O)(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL602052,8.24
+CCNC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL604132,8.62
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21,CHEMBL604129,8.15
+CCC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL601634,8.64
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCN(c5ccccn5)CC4)ccc3CC[C@@H]21,CHEMBL601635,6.82
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCCCC4)ccc3CC[C@@H]21,CHEMBL600998,6.65
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21,CHEMBL600083,8.52
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21,CHEMBL604316,8.59
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21,CHEMBL599116,8.7
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21,CHEMBL604127,8.55
+COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL598730,8.64
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C(=O)O)c3CC[C@@H]21,CHEMBL598915,7.42
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL604314,9.22
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21,CHEMBL598949,8.51
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21,CHEMBL604732,8.8
+CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL599134,8.36
+CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL604525,8.74
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21,CHEMBL599135,9.7
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21,CHEMBL605354,9.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccccc4)c3CC[C@@H]21,CHEMBL599528,9.7
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(F)c4)c3CC[C@@H]21,CHEMBL598104,9.4
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21,CHEMBL598105,9.22
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21,CHEMBL605339,9.22
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(OC(F)(F)F)c4)c3CC[C@H]21,CHEMBL604383,8.64
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21,CHEMBL597100,9.05
+COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,CHEMBL603872,9.15
+CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,CHEMBL597310,9.15
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc(CO)cc4)c3CC[C@@H]21,CHEMBL604176,9.15
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21,CHEMBL597900,9.05
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21,CHEMBL605127,9.52
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21,CHEMBL597503,9.22
+COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2,CHEMBL270426,7.34
+CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL119455,7.21
+c1ccc2c(c1)CCN1CCc3[nH]c4ccccc4c3C21,CHEMBL1086789,5.68
+c1ccc2c(c1)CCN1CCc3cccc4[nH]cc(c34)C21,CHEMBL1086790,5.74
+CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1,CHEMBL1087301,7.55
+CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1,CHEMBL1087300,8.38
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.43
+CN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1672308,5.43
+CN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672313,6.47
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684128,6.13
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3,CHEMBL1684129,6.04
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684134,5.93
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684135,5.88
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684131,5.8
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684029,5.72
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3,CHEMBL1684024,5.7
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684028,5.57
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,6.68
+CN1CCc2cc(SC[C@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3216980,5.38
+CN1CCc2cc(SC[C@@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3216523,6.85
+CN1CCc2cc(SCCN)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3215641,5.89
+CN1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1802234,5.66
+COC(=O)[C@@H](N)CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL3216759,6.42
+CN1CCc2cc(SCCC(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1802236,6.82
+CN1CCc2c3c(cc4c2[C@H]1Cc1ccc(O)c(O)c1-4)SCCC3=O,CHEMBL1802237,6.85
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806871,5.62
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806870,5.38
+CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1,CHEMBL270299,5.66
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,5.84
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.23
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.7
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.71
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,4.86
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.34
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,6.69
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.55
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.22
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,5.81
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.34
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,6.83
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.71
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,5.53
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,6.06
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.26
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,6.12
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.0
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.46
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,6.23
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,4.85
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.97
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.35
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,5.92
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.41
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.25
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.1
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,4.99
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.13
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,5.91
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,5.86
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.8
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.68
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.57
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,5.19
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.11
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,6.33
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.36
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.57
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.51
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,5.84
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,6.27
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.01
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.37
+CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL18797,4.86
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,4.89
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,5.87
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.71
+Cc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL319707,8.06
+CCc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL104571,7.54
+C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,CHEMBL1949725,8.21
+C[C@@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,CHEMBL1949726,6.19
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO,CHEMBL1949728,7.99
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO,CHEMBL1949729,6.94
+COc1cc2c(cc1O)[C@@H]1Cc3cc(C)cc(C)c3CN1CC2,CHEMBL2057457,7.54
+COc1cc2c(cc1O)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2,CHEMBL2057456,7.76
+COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2,CHEMBL2057455,8.6
+COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)c(OC)c3[C@@H]1C2,CHEMBL2057454,7.28
+COc1ccc2c(c1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL2057453,7.45
+COc1cc2c(cc1OC)C1Cc3cc(C)cc(C)c3CN1CC2,CHEMBL2057452,5.84
+COc1cc2c(cc1OC)[C@@H]1Cc3cc(C)cc(C)c3CN1CC2,CHEMBL2057451,6.47
+COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)c(OC)c3[C@@H]1C2,CHEMBL2057446,7.62
+COc1cc2c(c(OC)c1)CN1CCc3cc(OC)cc(OC)c3[C@@H]1C2,CHEMBL2057445,8.1
+COc1cc2c(c(OC)c1)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL2057443,7.13
+COc1cc2c(cc1OC)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2,CHEMBL2057442,7.19
+COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)cc3[C@@H]1C2,CHEMBL2057441,6.97
+COc1cc(OC)c2c(c1CO)C[C@H]1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2057438,6.74
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]21,CHEMBL2062848,4.38
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)[C@H]1CO,CHEMBL2062849,4.66
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCC1,CHEMBL2062850,4.39
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1,CHEMBL2062851,4.66
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]21,CHEMBL2062856,5.15
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)[C@H]1CO,CHEMBL2062857,5.1
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCCC1,CHEMBL2062860,4.36
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1,CHEMBL2062861,4.31
+CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21,CHEMBL2158640,6.04
+Oc1ccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1,CHEMBL2158636,6.26
+O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL2204343,6.79
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.53
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,5.4
+S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1,CHEMBL2298832,6.35
+O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1,CHEMBL2298800,6.39
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,4.9
+COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3O)C[C@@H]21,CHEMBL2334887,6.28
+COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,CHEMBL1395394,6.28
+COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@@H]21,CHEMBL2334885,6.51
+COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,CHEMBL522746,6.35
+COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL487182,6.64
+COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,CHEMBL320397,6.7
+COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@H]21,CHEMBL2334886,5.92
+COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL490533,7.18
+COc1cc2c(cc1O)[C@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL2334890,6.87
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4,CHEMBL2334880,6.25
+COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL448891,7.3
+COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL2314732,7.22
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,CHEMBL1235966,7.66
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCC4,CHEMBL2334882,8.12
+COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL2334892,8.18
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL1457510,8.2
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL2334891,8.35
+CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL13668,8.92
+COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3CN1CC2)OCO4,CHEMBL2334893,8.38
+COc1ccc2c(c1)CCN1CC[C@@](O)(c3ccc(Cl)cc3)C[C@H]21,CHEMBL2335739,5.48
+COc1ccc2c(c1)CCN1CC[C@](O)(c3ccc(Cl)cc3)C[C@H]21,CHEMBL2335738,6.6
+COc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335741,6.61
+Cc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2331599,7.34
+Cc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335737,8.26
+COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335740,8.4
+COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2,CHEMBL2335736,8.7
+CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397385,6.36
+CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1,CHEMBL3216146,6.87
+CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397383,7.4
+CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397382,6.01
+CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397381,6.77
+Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL2397380,6.73
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.23
+Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1,CHEMBL1334465,5.75
+Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl,CHEMBL2420777,5.59
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1OCCCCF)CC2,CHEMBL3115580,5.94
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2,CHEMBL3115579,5.17
+Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115578,5.405
+Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115577,4.425
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1I)CC2,CHEMBL3115576,6.37
+Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2,CHEMBL3115575,5.39
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2,CHEMBL3115574,5.075
+CCCCCCNC[C@H]1CCc2ccc(O)cc2O1,CHEMBL3115585,4.97
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2,CHEMBL134807,5.175
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.6
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,7.41
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,7.47
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,7.44
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,7.28
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233143,6.96
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL2028019,5.68
+CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287395,6.82
+OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287396,6.62
+O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287397,6.01
+O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287402,6.74
+O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287404,6.59
+N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287405,6.03
+N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287406,5.46
+Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940408,6.23
+Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940409,7.28
+Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940411,6.87
+Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940406,6.9
+O=C1c2ccc(F)cc2CC1CCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3289642,6.19
+Fc1ccc2c(c1)CC(CCN1CCN(c3ccc(Cl)cc3)CC1)C2,CHEMBL3289644,6.08
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,6.62
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,6.58
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.74
+FC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL3289645,5.63
+Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1,CHEMBL3289646,6.585
+Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1,CHEMBL3289647,6.65
+Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1,CHEMBL3289648,6.28
+Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940417,6.59
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,6.31
+Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940415,6.87
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,5.72
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,5.9
+Clc1ccc(N2CCN(CCCCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3289649,5.1
+Clc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3286429,5.93
+Clc1ccc(N2CCN(CCCc3cc4ccccc4o3)CC2)cc1,CHEMBL3289653,5.85
+Clc1ccc(N2CCCN(CCCc3cc4ccccc4o3)CC2)cc1,CHEMBL3289655,6.56
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.48
+COc1cc2c(cc1O)[C@@H]1Cc3sccc3CN1CC2,CHEMBL3344356,7.06
+CCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344456,7.58
+CCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344457,7.21
+CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344458,7.21
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2,CHEMBL3344459,6.89
+CCCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344460,6.88
+CCC(C)Cc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344462,6.39
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)(C)C)cc3CN1CC2,CHEMBL3344463,6.2
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CCC4)cc3CN1CC2,CHEMBL3344465,6.42
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CC4)cc3CN1CC2,CHEMBL3344466,7.18
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCl)cc3CN1CC2,CHEMBL3344467,7.78
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCl)cc3CN1CC2,CHEMBL3344468,7.11
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)Cl)cc3CN1CC2,CHEMBL3344469,7.34
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCCl)cc3CN1CC2,CHEMBL3344470,6.14
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.89
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,7.66
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,7.57
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,6.46
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,5.39
+CN1CCc2ccc(O)cc2C(c2ccccc2)C1,CHEMBL1193274,6.68
+CN1CCc2cc(N)c(O)cc2C(c2ccccc2)C1,CHEMBL3325901,6.48
+CN1CCc2cc(O)c(N)cc2C(c2ccccc2)C1,CHEMBL3325903,6.45
+CN1CCc2cc(NCc3ccccc3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325904,6.18
+CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325905,6.56
+Cc1cccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1,CHEMBL3325906,6.43
+Cc1ccccc1CNc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2,CHEMBL3325907,6.53
+Cc1ccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)cc1,CHEMBL3325908,6.12
+Cc1cccc(-c2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1,CHEMBL3325913,6.67
+Cc1ccccc1-c1cc2c(cc1O)C(c1ccccc1)CN(C)CC2,CHEMBL3325914,6.04
+CN1CCc2cc(-c3ccc(O)cc3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325916,6.46
+CN1CCc2ccc(N)cc2C(c2ccccc2)C1,CHEMBL3325920,6.23
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL2397389,4.74
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL2396663,4.89
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577342,5.59
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577343,5.41
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,CHEMBL3577344,5.34
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577345,4.64
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577346,5.54
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL464099,6.43
+CCCN(CCC)CCc1cccc2c1CC(=O)N2,CHEMBL589,4.49
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,CHEMBL3590077,5.89
+CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590080,5.89
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590081,5.48
+CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590084,5.66
+CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589577,5.59
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613880,6.96
+Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613879,6.96
+Clc1cccc(N2CCN(CCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613878,6.92
+COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1,CHEMBL3613877,6.21
+O=Cc1cnn2ccc(-n3cc(CCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613876,6.8
+O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613875,5.82
+O=Cc1cnn2ccc(-n3cc(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613874,6.68
+COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1,CHEMBL3613873,5.77
+CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1,CHEMBL3622099,6.6
+Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL3622097,6.32
+Cc1cc(Oc2ncc(F)cc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697614,7.16
+CCn1c(-c2ccc(Oc3ncccc3Cl)cc2C)c(C)c(=O)[nH]c1=O,CHEMBL3697615,7.24
+CCc1c(-c2ccc(Oc3ncccc3Cl)cc2C)n(C)c(=O)[nH]c1=O,CHEMBL3697616,7.48
+Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697617,7.875
+Cc1cnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c(Cl)c1,CHEMBL3697618,7.0
+Cc1ccnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)cc2)c1Cl,CHEMBL3697619,7.96
+CCn1c(-c2ccc(Oc3ncccc3C(F)F)cc2C)c(C)c(=O)[nH]c1=O,CHEMBL3697620,7.26
+Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697578,7.945
+Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697621,7.51
+Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697622,7.29
+Cc1cc(Sc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697623,7.45
+Cc1c(-c2ccc(Oc3ncccc3C(F)(F)F)c3[nH]ccc23)n(C)c(=O)[nH]c1=O,CHEMBL3697624,7.89
+CCc1cccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1,CHEMBL3697553,7.28
+CCn1c(-c2ccc(Oc3ncccc3Cl)cc2)c(C)c(=O)[nH]c1=O,CHEMBL3697554,6.5
+CCc1c(-c2ccc(Oc3ncccc3Cl)cc2)n(C)c(=O)[nH]c1=O,CHEMBL3697555,7.08
+[C-]#[N+]c1c(C)ccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1,CHEMBL3697556,7.34
+Cc1cc(Oc2ncc(Cl)cc2C)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697557,7.04
+Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697558,7.41
+Cc1cc(Oc2ncc(Cl)cc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697559,6.93
+Cc1cc(Oc2nccc(C)c2F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697560,7.44
+Cc1cc(Oc2ncc(Cl)cc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697561,7.05
+Cc1cc(Oc2ncccc2F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697562,6.31
+Cc1cc(Oc2ccccn2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697563,6.81
+Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697564,8.44
+Cc1cc(Oc2ncccc2N2CC(F)C2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697565,6.19
+Cc1cc(Oc2ncccc2OC2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697566,6.65
+COc1cc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)ncc1F,CHEMBL3697567,6.92
+Cc1cc(Oc2ncccc2N2CCC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697568,6.61
+Cc1cc(Oc2ncccc2N2CC(F)(F)C2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697569,6.08
+C=C(C)c1cccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1,CHEMBL3697570,8.07
+Cc1cc(Oc2ncccc2C(C)C)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697571,7.51
+Cc1cc(Oc2cc(C3CC3)ccn2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697572,7.82
+Cc1cc(Oc2ncccc2O)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697573,7.08
+Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697574,8.27
+COc1cc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)ncc1C,CHEMBL3697575,6.73
+Cc1cc(Oc2ncccc2Br)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697576,8.02
+Cc1c(-c2ccc(Oc3ncccc3Cl)cc2)n(C)c(=O)[nH]c1=O,CHEMBL3697577,7.06
+Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697579,8.12
+CCc1c(-c2ccc(Oc3ncccc3C(F)F)cc2C)n(C)c(=O)[nH]c1=O,CHEMBL3697580,7.08
+Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697581,9.24
+Cc1cc(Oc2ncccc2C2COC2)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697582,6.54
+Cc1cc(Oc2nccc(C)c2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697583,8.0
+Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697584,7.02
+Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697585,7.2
+Cc1c(-c2ccc(Oc3ncccc3OC(F)F)cc2)n(C)c(=O)[nH]c1=O,CHEMBL3697586,6.96
+Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697587,7.825
+Cc1c(-c2ccc(Oc3ncccc3C(F)F)cc2C#N)n(C)c(=O)[nH]c1=O,CHEMBL3697588,6.37
+Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697589,7.52
+Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697590,7.06
+Cc1cc(Oc2ncccc2C(N)=O)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697591,5.91
+COC(=O)c1cccnc1Oc1ccc(-c2c(C)n[nH]c(=O)c2C)c(C)c1,CHEMBL3697592,6.12
+COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C,CHEMBL3697593,7.62
+Cc1cc(Oc2nccc(C)c2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697594,7.92
+COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C(F)F,CHEMBL3697595,7.87
+COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C(F)(F)F,CHEMBL3697596,8.38
+Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697597,7.515
+Cc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)c1,CHEMBL3697598,6.46
+Cc1cc(Sc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3697599,7.77
+Cc1c(-c2ccc(Oc3ncccc3C3CC3)cc2)n(C)c(=O)[nH]c1=O,CHEMBL3697600,7.42
+Cc1cc(Oc2ncc(F)cc2C)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3697601,6.86
+Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3697602,6.67
+Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3697603,6.64
+Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3697604,7.36
+Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3697605,6.42
+Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3697606,7.06
+Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)cnc(=O)n1C,CHEMBL3697607,6.45
+Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)cnc(=O)n1C,CHEMBL3697608,6.47
+Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)cnc(=O)n1C,CHEMBL3697609,7.49
+Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)cnc(=O)n1C,CHEMBL3697610,6.96
+Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)cnc(=O)n1C,CHEMBL3697611,6.46
+Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C1CC1,CHEMBL3697612,7.24
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F,CHEMBL3671272,7.52
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnn1C,CHEMBL3671273,7.46
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3671274,7.995
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C,CHEMBL3671275,7.89
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)ncnc1C,CHEMBL3671276,6.95
+Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1,CHEMBL3671277,8.39
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,CHEMBL3671278,8.74
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C,CHEMBL3671279,8.305
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)nc[n+]([O-])c1C,CHEMBL3671281,7.03
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc2nccn12,CHEMBL3671282,8.1
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cncc2nccn12,CHEMBL3671283,7.01
+Cc1ncnc(C#N)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F,CHEMBL3671284,7.55
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C#N,CHEMBL3671285,7.41
+Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F,CHEMBL3671286,7.53
+Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1,CHEMBL3671287,7.8
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1,CHEMBL3671288,7.35
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1C#N,CHEMBL3671289,6.99
+Cc1ncnc(C)c1-c1cc(F)c(Oc2nccc3[nH]ccc23)cc1F,CHEMBL3671290,7.26
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)c(F)c1F,CHEMBL3639701,7.27
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1Cl,CHEMBL3671291,8.01
+Cc1ncnc(N2CC(F)C2)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F,CHEMBL3671292,8.29
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3671293,8.155
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cn[nH]c(=O)c1C,CHEMBL3671294,7.45
+Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cc(=O)[nH]nc1C,CHEMBL3671295,7.17
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-n1c(C)nc2cnccc21,CHEMBL3671296,6.57
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cc(=O)[nH]nc1C,CHEMBL3671297,6.54
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1F,CHEMBL3671298,7.14
+COc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)ncnc1C,CHEMBL3671299,6.91
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1C#N,CHEMBL3671300,6.41
+Cc1ncnc(C#N)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1F,CHEMBL3671301,7.16
+Cc1cc(Oc2nccc3n[nH]cc23)c(F)cc1-c1c(C)ncnc1C,CHEMBL3671302,6.93
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1Cl,CHEMBL3671303,7.28
+Cc1ncnc(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1,CHEMBL3671304,6.89
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)ncc(=O)n1C,CHEMBL3671305,7.465
+Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1,CHEMBL3671306,7.39
+Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cn[nH]c(=O)c1C,CHEMBL3671307,6.91
+Cc1c(-c2ccc(Oc3nccc4n[nH]cc34)cc2)n(C)c(=O)[nH]c1=O,CHEMBL3671308,7.76
+[C-]#[N+]c1c[nH]c2ccnc(Oc3ccc(-c4c(C)ncnc4C)c(C)c3)c12,CHEMBL3671268,8.34
+Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3n[nH]c(C)c23)cc1,CHEMBL3671269,7.99
+Cc1cc2n[nH]cc2c(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)n1,CHEMBL3671270,7.61
+COc1cnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)c2c[nH]nc12,CHEMBL3671271,6.16
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,5.77
+CN1CCc2ccccc2Cc2sccc2CC1,CHEMBL3752512,7.22
+CN1CCc2ccccc2Cc2sc3ccccc3c2CC1,CHEMBL3753266,7.4
+CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,CHEMBL504548,8.05
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,CHEMBL8514,8.64
+COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O,CHEMBL3780438,5.51
+COc1cc2c(cc1O)C(C)N(Cc1cccc(O)c1OC)CC2,CHEMBL3780975,6.08
+COc1cc2c(cc1O)C1Cc3ccc(OCC4CC4)c(OC)c3CN1CC2,CHEMBL3780184,7.92
+COc1cc2c(cc1O)C1Cc3ccc(OCCCO)c(OC)c3CN1CC2,CHEMBL3780268,8.17
+CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781035,7.4
+CCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780140,7.72
+CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781840,7.96
+CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780506,8.11
+CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3779928,7.91
+COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL3780481,7.82
+COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL595489,8.25
+COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800400,4.96
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800468,5.17
+COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3799455,5.55
+COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800303,6.37
+COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3799427,5.54
+COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800636,6.07
+COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3798748,5.35
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3797205,5.55
+COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3800341,6.02
+COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL3797876,6.05
+COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1,CHEMBL3799593,6.37
+COc1ccccc1OCCNCCc1ccc(O)c(O)c1,CHEMBL3797758,6.68
diff --git a/chembl_200/CHEMBL208.csv b/chembl_200/CHEMBL208.csv
new file mode 100644
index 0000000000000000000000000000000000000000..03d9bb0688facef68ed5d8bf8f4df4da935c9e8b
--- /dev/null
+++ b/chembl_200/CHEMBL208.csv
@@ -0,0 +1,513 @@
+O=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2s1,CHEMBL94053,6.9
+O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2n1Cc1ccccc1,CHEMBL327409,6.15
+CC1=CC(C)(C)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL93027,7.7
+CC(C)n1c(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc21,CHEMBL329631,6.28
+CC(C)n1c(=O)[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL327444,6.28
+O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2s1,CHEMBL315445,6.48
+O=c1[nH]c2cc(-c3cccc(Cl)c3)ccc2n1Cc1ccccc1,CHEMBL94162,5.5
+O=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1,CHEMBL92026,6.28
+C/C=C\C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138197,6.14
+CCOC(=O)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138003,6.02
+CCCCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL140336,5.77
+COc1cccc2c1-c1ccc3c(c1C(C)O2)C(C)=CC(C)(C)N3,CHEMBL141836,5.37
+C#CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL138098,6.12
+C/C=C/C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL137890,5.68
+COc1ccc2c(c1)OCc1c-2ccc2c1C(C)=CC(C)(C)N2,CHEMBL303293,6.45
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,CHEMBL418684,7.87
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(C)cc1-3,CHEMBL294116,7.332999999999999
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Br)cc1-3,CHEMBL63870,7.82
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cccc1-3,CHEMBL63610,6.61
+COc1ccc2c(c1)-c1ccc3c(c1CO2)C(C)=CC(C)(C)N3,CHEMBL65522,7.07
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccccc1-3,CHEMBL67362,7.08
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL64294,8.17
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(C#N)cc1-3,CHEMBL62227,8.35
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL103,8.445
+COc1cc(Br)cc2c1OCc1c-2ccc2c1C(C)=CC(C)(C)N2,CHEMBL294265,6.32
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Br)cc1-3,CHEMBL62761,7.91
+CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL1908373,7.74
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(C)cc(Cl)cc1-3,CHEMBL62798,6.69
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Cl)cccc1-3,CHEMBL62714,6.56
+CC1CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL293409,6.84
+CC1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,CHEMBL63788,7.35
+CC1CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(F)cc1[N+](=O)[O-],CHEMBL65380,6.43
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(Br)c(C=O)c1F,CHEMBL66650,6.54
+Cc1cc(F)cc2c1OCc1c-2ccc2c1C(C)CC(C)(C)N2,CHEMBL65054,6.41
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1162,8.73
+CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL117465,8.0
+CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL117586,8.0
+CC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL117585,6.74
+CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21,CHEMBL117308,8.3
+CC1=CC(C)(C)Nc2ccc(-c3ccccc3)cc21,CHEMBL93463,6.88
+CC1=CC(C)(C)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL115904,7.72
+S=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1,CHEMBL316078,6.82
+O=[N+]([O-])c1cccc(-c2ccc3[nH]c(=S)n(Cc4ccccc4)c3c2)c1,CHEMBL93906,7.52
+CCCOC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL113098,8.22
+CCCCC1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114941,8.92
+CCCCC1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL322108,8.46
+COC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114553,7.79
+CCCCC1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL321243,7.58
+COC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114435,7.42
+CCCCC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL326092,8.54
+CCCOC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL113099,7.19
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(Cl)cc1-3,CHEMBL286446,9.36
+CCCCC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL112987,9.06
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccccc1-3,CHEMBL115174,8.48
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(F)cc1-3,CHEMBL116007,8.96
+CC1=CC(C)(C)Nc2ccc3c(c21)C(CCC(C)C)Oc1ccccc1-3,CHEMBL114607,8.77
+CCCOC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL116221,8.82
+CC1=CC(C)(C)Nc2ccc3c(c21)C(CCCCCl)Oc1ccccc1-3,CHEMBL332264,8.49
+CCCCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL115173,7.64
+CCCSC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114611,7.61
+COC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL112058,6.4
+CCCSC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL325213,8.18
+COC1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL333167,7.09
+CCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL325221,9.02
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL137956,7.66
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Cl)Oc1ccccc1-3,CHEMBL344627,8.89
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3,CHEMBL137103,8.82
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL134421,8.31
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1c(F)cccc1F)Oc1ccccc1-3,CHEMBL344644,7.5
+COc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1,CHEMBL139631,7.27
+CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccccc1-3,CHEMBL138283,8.68
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL139468,7.15
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1F)Oc1ccccc1-3,CHEMBL135138,7.61
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3,CHEMBL335591,8.26
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccccc1-3,CHEMBL344048,7.4
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL337262,7.73
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)cc(F)c1)Oc1ccccc1-3,CHEMBL342190,7.9
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL136915,7.22
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)c(F)c1)Oc1ccccc1-3,CHEMBL342426,8.44
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL32812,9.08
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,CHEMBL302362,9.18
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1ccccc1-3,CHEMBL136464,8.46
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccccc1-3,CHEMBL435822,8.25
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL137902,8.06
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3,CHEMBL101914,8.44
+C=C1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL64913,8.21
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C#N)Oc1ccc(F)cc1-3,CHEMBL62731,7.35
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/Br)Oc1ccc(F)cc1-3,CHEMBL62700,8.68
+C=C(/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(C)C,CHEMBL65410,7.59
+CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,CHEMBL65929,8.2
+CC(=O)C[C@]1(C(C)=O)CC[C@H]2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL292284,9.47
+CC/C(C)=C1/Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL63015,7.78
+CC/C(C)=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL62981,8.1
+CCC/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65014,8.51
+CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65690,8.6
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Cl)cc1-3,CHEMBL65743,8.25
+CC1(C)Nc2ccc3c(c2C(C)(C)C1=O)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL34589,8.28
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL286158,6.91
+CC1CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34882,8.2
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286595,9.15
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL34015,7.67
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL32603,8.31
+C[C@@H]1CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL36076,7.04
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL284475,8.18
+CC1(C)C=Cc2c(ccc3c2C(c2ccc(Cl)cc2)Oc2ccccc2-3)N1,CHEMBL33909,7.98
+C[C@H]1CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286822,8.0
+CC1(C)CC(=O)c2c(ccc3c2C(c2ccc(Cl)cc2)Oc2ccccc2-3)N1,CHEMBL286662,7.61
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL36564,8.59
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL35525,7.55
+C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,CHEMBL285705,7.54
+CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34824,8.46
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL35429,8.89
+C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL36065,7.78
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL103232,9.26
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL318513,8.59
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)n1)Oc1ccccc1-3,CHEMBL101852,7.86
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3,CHEMBL103092,8.74
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL320690,9.37
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(F)cc(Br)c1)Oc1ccccc1-3,CHEMBL102602,8.62
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3,CHEMBL317921,8.47
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)nc1)Oc1ccccc1-3,CHEMBL102179,8.41
+COc1ccc(C2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL103468,7.88
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(C)cc(Br)c1)Oc1ccccc1-3,CHEMBL101907,9.06
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(F)c1)Oc1ccccc1-3,CHEMBL102754,9.39
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccccc1-3,CHEMBL103237,9.16
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccccc1-3,CHEMBL102720,8.92
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL320423,8.17
+CC(=O)c1ccc(C2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL320411,8.06
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C(F)(F)F)cc1)Oc1ccccc1-3,CHEMBL321584,7.97
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL102403,8.64
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL430855,8.96
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)cc1)Oc1ccccc1-3,CHEMBL323324,8.28
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3,CHEMBL102541,8.77
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL94753,9.3
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3,CHEMBL320632,8.89
+COc1ccc(C2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL322312,9.03
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1-3,CHEMBL431807,8.96
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(F)cc1-3,CHEMBL320164,9.43
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccc(Cl)cc1-3,CHEMBL322485,9.47
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322575,9.23
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL104347,8.89
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL319915,9.26
+COc1ccc(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL104451,8.57
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3,CHEMBL104183,9.32
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(F)cc1-3,CHEMBL106994,9.49
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322576,9.23
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL104037,8.66
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1-3,CHEMBL418990,9.11
+COc1ccc2c(c1)-c1ccc3c(c1C(c1ccc(Cl)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL107998,8.62
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1cc(F)ccc1-3,CHEMBL108230,8.57
+CC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL335992,8.46
+CC1=CC(C)(C)Nc2ccc(-c3ccc(Cl)s3)cc21,CHEMBL133661,7.92
+CC1=CC(C)(C)Nc2ccc(-c3cc(Br)c(C#N)s3)cc21,CHEMBL132950,6.6
+CC1=CC(C)(C)Nc2ccc(-c3ccc(Br)s3)cc21,CHEMBL339399,7.51
+CC1=CC(C)(C)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21,CHEMBL133656,8.59
+CC1=CC(C)(C)Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL132193,7.26
+CC1=CC(C)(C)Nc2ccc(-c3ccc(C=O)s3)cc21,CHEMBL134786,7.1
+CC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21,CHEMBL133794,7.6
+CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)C1=O,CHEMBL131681,7.91
+Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL132889,8.41
+CC1=CC(C)(C)Nc2ccc(-c3csc(C=O)c3)cc21,CHEMBL337885,7.43
+CC1=CC(C)(C)Nc2ccc(-c3cccs3)cc21,CHEMBL337199,6.63
+Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)CC(C)(C)N2,CHEMBL134260,8.145
+CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3C)cc21,CHEMBL131855,7.59
+CC1=CC(C)(C)Nc2ccc(-c3cc(C#N)sc3C)cc21,CHEMBL132195,7.51
+CC1=CC(C)(C)Nc2ccc(-c3c(C)sc(C#N)c3C)cc21,CHEMBL334890,7.44
+CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3Br)cc21,CHEMBL132192,6.36
+CC1=CC(C)(C)Nc2ccc(-c3cc(Br)cs3)cc21,CHEMBL538158,7.49
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,CHEMBL166444,9.31
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3,CHEMBL446418,7.62
+CC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21,CHEMBL327551,7.11
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3O,CHEMBL91708,5.73
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,CHEMBL329198,7.85
+CC1=CC(C)(C)Nc2cc3[nH]c4ccccc4c3cc21,CHEMBL329339,6.95
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])c(F)cc1-3,CHEMBL328804,7.01
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cccc(CO)c1C3,CHEMBL92089,7.91
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cccc(F)c1C3,CHEMBL93690,8.64
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3,CHEMBL313418,7.95
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3,CHEMBL446160,6.7
+CC(=O)c1ccc2c(c1)Cc1cc3c(cc1-2)C(C)=CC(C)(C)N3,CHEMBL93345,6.75
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3=O,CHEMBL94286,5.45
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3O,CHEMBL93407,6.32
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(F)cc1C3O,CHEMBL93451,7.0
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3,CHEMBL92730,7.89
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cc(F)cc1C3O,CHEMBL316348,7.59
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)ccc(F)c1C3,CHEMBL327847,8.51
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1c(F)cccc1-3,CHEMBL91927,7.81
+CC1=CC(C)(C)Nc2cc(F)c3c(c21)Cc1cc(F)ccc1-3,CHEMBL431280,7.68
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O,CHEMBL90766,7.54
+CC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21,CHEMBL328058,6.74
+CC1=CC(C)(C)Nc2cc3c(c(Cl)c21)-c1ccccc1C3O,CHEMBL330702,7.27
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])ccc1-3,CHEMBL330235,7.24
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3O,CHEMBL328261,6.35
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)c([N+](=O)[O-])cc1C3,CHEMBL330527,8.72
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc([N+](=O)[O-])cc1C3,CHEMBL328506,8.44
+CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3,CHEMBL433403,8.82
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)cc(F)c1C3O,CHEMBL328787,6.69
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Cl)cc1C3,CHEMBL328523,7.54
+CCn1c2ccccc2c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL91858,6.77
+CCCCn1c2ccccc2c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL330726,7.11
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(F)cc1C3,CHEMBL92750,8.46
+CC1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,CHEMBL93894,7.06
+CC1=CC(C)(C)Nc2cc(F)c3c(c21)C(O)c1cc(F)ccc1-3,CHEMBL92777,5.59
+CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3OC(=O)C(F)(F)F,CHEMBL327934,7.2
+C=CCC1Oc2ccc(F)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7988,6.7
+C=CCC1Oc2c(Br)cc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7781,7.66
+C=CCC1Oc2cccc(NC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL440454,5.53
+C=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL268239,6.72
+C=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8007,7.21
+C=CCC1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267231,6.46
+C=CCC1Oc2cccc(C#N)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8209,5.84
+C=CCC1Oc2ccc(Cl)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7987,7.54
+C#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL266488,5.74
+C=CCC1Oc2cccc(SC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8394,5.32
+C#Cc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL7671,5.62
+C=CCC1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266709,6.48
+C=CCC1Oc2ccc(OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL274208,6.21
+C=CCC1Oc2ccc(CO)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8637,7.0
+C=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8140,6.82
+C=CCC1Oc2c(C=C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415309,6.35
+C=CCC1Oc2ccc(Br)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8027,7.47
+C=CCC1Oc2ccc(OCC#N)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8055,5.51
+C=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7843,6.7
+C=CCC1Oc2cccc(C=C)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267940,6.36
+C=CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL8329,5.43
+C=CCC1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL273658,8.12
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277,8.89
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Cl)Oc1ccc(F)cc1-3,CHEMBL132256,7.65
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C#N)Oc1ccc(F)cc1-3,CHEMBL334747,7.94
+CCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415524,8.64
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3,CHEMBL336353,8.92
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3,CHEMBL413309,9.21
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3,CHEMBL335249,9.21
+CCCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL133483,8.8
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3,CHEMBL337856,8.82
+COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL335996,8.42
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,CHEMBL130141,8.85
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1)Oc1ccc(F)cc1-3,CHEMBL336751,8.82
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3,CHEMBL336169,8.33
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1c(F)cccc1-3,CHEMBL133117,9.15
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccc(F)cc1-3,CHEMBL334586,7.79
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C=O)Oc1ccc(F)cc1-3,CHEMBL422268,8.59
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL134602,9.21
+CSc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL422444,9.23
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1OC(F)(F)F)Oc1ccc(F)cc1-3,CHEMBL132578,8.19
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(F)(F)F)Oc1ccc(F)cc1-3,CHEMBL133124,7.34
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccn1)Oc1ccc(F)cc1-3,CHEMBL335879,8.04
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,CHEMBL132363,9.38
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccc(F)cc1-3,CHEMBL336736,9.26
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(C)C)Oc1ccc(F)cc1-3,CHEMBL132672,8.72
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1c(F)cccc1-3,CHEMBL130257,8.26
+C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@H]1O,CHEMBL299766,5.0
+C=C1CCCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51669,7.47
+C=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48745,6.36
+C=C1C[C@H](CO)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL296156,5.49
+C=C1C=C(C)CC(C)(C)C1(O)Cc1ccc([N+](=O)[O-])cc1,CHEMBL2113712,6.61
+C=C1C[C@H](C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL50454,7.08
+C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51093,6.31
+C=C1CCCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48858,7.11
+C=C1C=C(C)CC(C)(C)C1Cc1ccc2nonc2c1,CHEMBL50786,7.06
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL54270,7.22
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])c(C)c1,CHEMBL299512,7.54
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])cc1,CHEMBL50023,7.27
+C=C1C=C(C)CC(C)(C)C1Sc1ccc([N+](=O)[O-])cc1,CHEMBL49754,6.92
+C=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48358,6.81
+C=C1C[C@H](C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL53549,7.66
+C=C1CCC[C@H](C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL299778,7.15
+C=C1CCCC(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL417729,6.66
+C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51639,6.46
+C=C1C=C(C)CC(C)(C)C1C/C=C/c1cc(OC)c(Br)cc1O,CHEMBL49978,7.08
+C=C1C=C(C)C[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL51933,7.68
+COc1cc(CC2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br,CHEMBL50849,7.01
+C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@@]1(C)O,CHEMBL50534,6.56
+C=C1CCC[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51788,7.16
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1O,CHEMBL48746,7.51
+C=C1C(C)=CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL50619,6.34
+C=C1C=C(C)C(Cc2cc(OC)c(Br)cc2O)C(C)(C)C1,CHEMBL299828,6.96
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL384467,6.18
+COc1ccc2c(c1)-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL317983,6.41
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL95644,5.4
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)NCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL414318,9.0
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL407672,9.28
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(C)=O)cc3)C[C@@]21C,CHEMBL364368,8.19
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]4CC[C@H]5[C@H]6[C@H](C[C@H](O)[C@@]54C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]6O)C(=O)O)cc3)C[C@@]21C,CHEMBL436859,8.92
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)OC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL411185,8.62
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)OC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL266935,9.41
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL408376,9.02
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL384975,8.46
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCS(=O)(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL406027,8.72
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL415621,8.96
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL2096804,8.77
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@@H]5C4)cc3)C[C@@]21C,CHEMBL2096708,9.32
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC[C@H]4[C@H](O)CC[C@]5(C)[C@H]6C[C@H](O)[C@@]7(C)[C@@H](CC[C@@H]7[C@H](C)CCC(=O)O)[C@@H]6[C@H](O)C[C@H]45)cc3)C[C@@]21C,CHEMBL440251,8.68
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]54)cc3)C[C@@]21C,CHEMBL263942,8.36
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]54)cc3)C[C@@]21C,CHEMBL414041,8.34
+CC1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL366252,7.4
+C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL364712,7.65
+C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL192859,5.5
+O=S(=O)(c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL364924,7.0
+C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL410683,6.65
+C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL402063,6.7
+O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1,CHEMBL212466,7.3
+O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2cccc(Br)c2)=N1,CHEMBL379276,7.2
+Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(c2cccc(Cl)c2)=N1,CHEMBL211586,6.5
+O=S(=O)(c1ccc(Cl)cc1)N1CCCCC(c2cccc(F)c2)=N1,CHEMBL211535,6.1
+O=S(=O)(c1ccc(Cl)s1)N1CCCCC(c2ccccc2Cl)=N1,CHEMBL424874,6.7
+O=S(=O)(c1cccc(Cl)c1)N1CCCCC(c2ccc(Cl)cc2)=N1,CHEMBL213225,6.2
+N#Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Br)s3)CCCC2)cc1,CHEMBL211483,7.2
+N#Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3F)CCCC2)cc1,CHEMBL212356,6.0
+O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL379847,7.3
+O=S(=O)(c1ccc(Cl)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL380094,7.4
+O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL380305,7.6
+CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL224204,5.28
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL388997,5.55
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227440,5.55
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,CHEMBL389481,5.27
+CC1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL227408,5.15
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1,CHEMBL227784,5.7
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F,CHEMBL227783,5.28
+O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2cccc(Cl)c2)c(=O)[nH]1,CHEMBL230989,5.15
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL394369,5.85
+CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL428922,7.24
+CO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL397920,7.42
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)O)O2)C(C)=CC(C)(C)N3,CHEMBL244537,5.64
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,CHEMBL397919,6.1
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(O)C(F)(F)F)O2)C(C)=CC(C)(C)N3,CHEMBL243656,5.75
+COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL395716,6.72
+C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL467888,5.6
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL3706940,6.01
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(O)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706946,6.12
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL3706943,6.4
+COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL3706942,6.08
+C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235206,6.56
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,CHEMBL1393,6.4
+COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2C1C1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21,CHEMBL237122,4.53
+C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391439,6.5
+C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235209,6.86
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,CHEMBL259820,6.06
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258191,7.957000000000001
+Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258193,6.64
+Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL404496,6.35
+Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL402362,5.64
+COc1ccc2cc[nH]c2c1-c1cc(C)c2c(c1Cl)C(C)CC(C)(C)N2,CHEMBL253745,5.85
+Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL429842,6.82
+Cc1cc(-c2cc(F)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL403274,7.82
+Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL257152,7.12
+Cc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL438885,6.19
+Cc1cc(-c2ccc(Cl)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL404879,6.28
+COc1ccc(-c2cc(C)c3c(c2Cl)C(C)CC(C)(C)N3)c2[nH]ccc12,CHEMBL404640,5.18
+Cc1cc(-c2cccc3c(C)c[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL256787,7.66
+Cc1cc2cccc(-c3cc(C)c4c(c3Cl)C(C)CC(C)(C)N4)c2[nH]1,CHEMBL443847,5.85
+Cc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL427899,6.19
+CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@@H]1C=CCCC1)Oc1c(F)cc(F)cc1-3,CHEMBL510305,8.32
+CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCC[C@@]2(C)O[C@@H]12)Oc1c(F)cc(F)cc1-3,CHEMBL507701,8.92
+CC1=C[C@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1,CHEMBL510373,7.85
+C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL514646,6.83
+C[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12,CHEMBL473801,7.47
+CC12CC(C)(C(=O)Nc3nccs3)C(c3ccccc31)c1ccccc12,CHEMBL474189,7.51
+CC12CC(C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12,CHEMBL514630,7.46
+C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567027,6.62
+C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL565320,5.74
+C[C@@](O)(c1ccc(Cl)s1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL572330,6.39
+Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567028,6.88
+C[C@@](O)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL584258,6.64
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1,CHEMBL583858,6.35
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1164379,6.99
+N#Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1163602,7.12
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,CHEMBL1163604,7.18
+COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1,CHEMBL1163595,5.95
+COc1cc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1163643,6.63
+COc1cc(C(CC(=O)c2cccc(C)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1163975,6.76
+COc1cc(C(CC(=O)c2cccc(F)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1165799,6.92
+Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1,CHEMBL1163976,7.46
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(F)c1,CHEMBL1164485,7.34
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1163598,7.27
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Cl)c1,CHEMBL1163597,7.64
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Br)c1,CHEMBL1163645,7.44
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccccc1,CHEMBL1163646,7.31
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(F)cc1,CHEMBL1163644,7.17
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Cl)cc1,CHEMBL1163746,7.37
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Br)cc1,CHEMBL1163747,7.41
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1,CHEMBL1165642,7.3
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1,CHEMBL1163902,7.12
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1,CHEMBL1163620,7.11
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)c1cccc(Cl)c1,CHEMBL1163717,7.24
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1,CHEMBL1163617,7.06
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1,CHEMBL1163625,7.33
+Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163812,7.07
+N#Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163822,7.25
+COc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163898,7.51
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1163899,7.74
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1,CHEMBL1164856,7.1
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1,CHEMBL1164857,7.18
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1164858,7.89
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1165483,7.97
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1,CHEMBL1164752,7.99
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)cc1,CHEMBL1163480,8.17
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(F)cc1,CHEMBL1163481,8.07
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1cccc(F)c1,CHEMBL1163485,8.07
+COc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)c1,CHEMBL1163484,7.95
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1,CHEMBL1163529,8.04
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccccc1,CHEMBL1165353,7.89
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1164248,7.55
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(C2CCCCC2)cc1,CHEMBL1164338,7.29
+Cc1ccc(C(=O)CC(Nc2cccc([N+](=O)[O-])c2)c2cccc(F)c2)cc1,CHEMBL1164339,7.0
+Cc1ccc(C(=O)CC(Nc2ccc(F)cc2)c2cccc(F)c2)cc1,CHEMBL1163588,6.35
+Cc1ccc(C(=O)CC(Nc2ccc(F)c(F)c2)c2cccc(F)c2)cc1,CHEMBL1163585,6.24
+Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1165497,7.46
+Cc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1164158,7.08
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2C,CHEMBL1644754,7.15
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)C,CHEMBL1644755,7.85
+C=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21,CHEMBL1644756,7.6
+CC(C)=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21,CHEMBL1644757,6.38
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)Cc1ccccc1,CHEMBL1644758,6.57
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1644759,5.92
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2C,CHEMBL1644760,5.735
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2(C)C,CHEMBL1644761,5.89
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2=O,CHEMBL1644763,5.52
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(C)(C)C2=O,CHEMBL1644764,5.72
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@@H](O)[C@H]2C,CHEMBL1644765,5.96
+CC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672549,9.08
+CC[C@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672548,9.49
+CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672547,9.67
+COc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672546,8.84
+Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672541,9.53
+CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672545,9.1
+CCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672544,8.37
+Cn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672543,7.55
+C[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391231,5.91
+CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL1672542,6.34
+COc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1,CHEMBL1672540,6.32
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1O,CHEMBL1682441,5.68
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)NCc1ccccc1,CHEMBL1684342,6.8
+CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC1(C)C,CHEMBL1684343,6.67
+C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)NC1CCCCC1,CHEMBL1684344,7.03
+CC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1,CHEMBL1684357,6.64
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1cccc(C#N)c1,CHEMBL1684358,6.18
+CC(=O)c1cccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)c1,CHEMBL1684359,6.17
+Cc1c(Cl)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682431,6.72
+CCO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1762210,7.57
+CO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1760023,5.42
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)CO)CC(C)(C)N4)cccc12,CHEMBL1762209,6.02
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)C)CC(C)(C)N4)cccc12,CHEMBL1762204,6.42
+CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1,CHEMBL1762203,6.24
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)C)CC(C)(C)N4)cccc12,CHEMBL1762202,6.66
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801012,6.56
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801008,7.28
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1,CHEMBL1801006,7.51
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(C#N)c1,CHEMBL1801005,6.84
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1800981,7.26
+Cc1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nncs2)ccc1O,CHEMBL1800983,6.85
+CC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800984,7.66
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800985,7.28
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911274,5.74
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911272,5.82
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911270,5.865
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911152,6.51
+CCCc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911151,6.55
+O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1,CHEMBL2181925,6.32
+S=c1[nH]c2ccc(-n3ccnc3)cc2n1C1CCCC1,CHEMBL2235632,7.55
+CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426636,6.96
+CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426663,7.25
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426662,6.97
+CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426118,6.39
+CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1,CHEMBL3120320,7.0
+C/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120319,8.21
+CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120318,7.81
+CC/C(=C1\c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120317,7.57
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL3315049,5.74
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2Oc2c(F)cccc21,CHEMBL3315050,4.91
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315051,4.91
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315052,6.57
+CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315053,5.3
+CC(C)(C(=O)NC(=O)C1CC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315054,5.69
+CC(C)(C(=O)NC(=O)C1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315055,5.27
+CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315056,4.97
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315057,5.93
+CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315058,5.54
+CC(C)(C(=O)NC(=O)NC1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315059,5.27
+COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nc3Oc3c(F)cccc32)cc1,CHEMBL3315060,6.21
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315061,7.28
+CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315062,7.35
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21,CHEMBL3315063,6.55
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315064,6.22
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21,CHEMBL3315065,5.63
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CC[C@H](F)C4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315066,4.48
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)nc3)nc2Oc2c(F)cccc21,CHEMBL3315067,5.87
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)nc2Oc2c(F)cccc21,CHEMBL3315068,7.64
+CC(C)(O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,CHEMBL3315069,6.97
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,CHEMBL3315070,6.51
+CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582120,5.92
+Cc1noc(C)c1-c1cc2c(c3c1OCO3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582114,5.64
+Cc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582112,5.83
+Cc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C,CHEMBL3582110,6.39
+Cc1noc(C)c1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL3582109,7.66
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605919,7.19
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12,CHEMBL3605921,5.38
+COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12,CHEMBL3605922,6.16
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1,CHEMBL3605923,5.4
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1,CHEMBL3605924,7.65
+CS(=O)(=O)Nc1cccc2cc[nH]c12,CHEMBL3605925,6.98
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)(C)C)cc12,CHEMBL3605926,6.6
+COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605927,5.4
+COc1ccc(F)cc1-c1c(-c2ccccc2)[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605928,7.35
+COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12,CHEMBL3605929,7.69
+COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605930,6.63
+CS(=O)(=O)Nc1cccc2c(-c3cccc(Cl)c3)c[nH]c12,CHEMBL3605932,8.26
+COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605933,7.07
+CS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12,CHEMBL3605934,7.54
+Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764446,5.91
+Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765823,6.28
+Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765171,6.35
+Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764185,6.06
diff --git a/chembl_200/CHEMBL209.csv b/chembl_200/CHEMBL209.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b7362f1817cab7fa710992b83fc468d044e83b33
--- /dev/null
+++ b/chembl_200/CHEMBL209.csv
@@ -0,0 +1,852 @@
+CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL339703,7.28
+CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCN)C(=O)c1nc2ccccc2s1,CHEMBL339764,7.8
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+CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL340183,8.4
+CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL421466,8.04
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1,CHEMBL341148,6.8
+CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL127773,8.0
+COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL124809,7.42
+CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL127185,6.02
+CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL340098,6.59
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL339122,8.51
+CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nccs1,CHEMBL341083,7.09
+CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL421643,8.15
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+CC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL349545,4.85
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](N)CO)cc1,CHEMBL345236,5.15
+CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL440919,5.35
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1,CHEMBL415741,6.05
+COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL159162,7.19
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL346117,5.74
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1,CHEMBL158814,6.96
+N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158939,8.49
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL158405,8.48
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@H](N)CO)cc1,CHEMBL160944,5.16
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL156858,6.19
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+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL345435,6.92
+CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL350657,5.47
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](N)CCC(=O)O)cc1,CHEMBL2371217,5.3
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+CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL160580,5.55
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+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158936,6.82
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+CNC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156472,6.09
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+COC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156702,7.0
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+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CNC=O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373559,8.18
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CS(C)(=O)=O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373397,8.68
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2375178,8.25
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3cccc([N+](=O)[O-])c3)O[C@@H]1C2,CHEMBL2373403,7.64
+CC(C)(C)OC(=O)CCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373367,8.85
+CC(C)(C)CC(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373440,8.57
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(-c4cccc(N)c4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373348,8.38
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373408,7.92
+CC(C)C(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373346,8.02
+CS(=O)Cc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373475,8.32
+CCCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373402,8.64
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CCC(=O)O)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373400,8.15
+CC(C)(C)OC(=O)/C=C/c1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373345,7.44
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)cc3CCc3ccccc3)O[C@@H]1C2,CHEMBL2373351,7.46
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3ccccc3[N+](=O)[O-])O[C@@H]1C2,CHEMBL2373405,8.08
+CC(=N)N1CC[C@H](Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL314535,5.96
+N=C(N)c1ccc(N2CCCCN(c3cccc(C(=N)N)c3)C2=O)cc1,CHEMBL91654,6.92
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL421370,6.55
+N=C(N)N1CCCC(C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1,CHEMBL311198,7.87
+COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(=N)N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1,CHEMBL287964,9.19
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3cccc(-c4ccccc4)c3)O[C@@H]1C2,CHEMBL290363,8.13
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3cccc(-c4cccc(NS(C)(=O)=O)c4)c3)O[C@@H]1C2,CHEMBL43140,8.42
+CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](CCCNC(=N)N)B3O[C@@H]4CC5CC(C5(C)C)[C@]4(C)O3)o2)c1,CHEMBL297536,7.6
+CC1(C)OB([C@H](CCCNC(=N)N)NC(=O)c2ccccc2)OC1(C)C,CHEMBL418427,7.15
+Cc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL40854,9.15
+Cc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL289318,8.38
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)cc3)O[C@@H]1C2,CHEMBL276880,7.48
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)cc3N)O[C@@H]1C2,CHEMBL296663,8.28
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)c([N+](=O)[O-])c3)O[C@@H]1C2,CHEMBL263204,8.32
+CC1(C)C2CC1[C@]1(C)OB([C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4ccccc4)c(N)c3)O[C@@H]1C2,CHEMBL289147,8.33
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(=N)N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1,CHEMBL290212,9.21
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL418071,9.96
+CC(C)(C)OC(=O)Nc1cccc(-c2cccc(C(=O)N[C@@H](CCCNC(=N)N)B3O[C@@H]4CC5CC(C5(C)C)[C@]4(C)O3)c2)c1,CHEMBL290720,7.46
+Cc1cc(-c2ccccc2C(F)(F)F)ccc1C(=O)N[C@@H](CCCNC(=N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL41152,8.51
+CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](CCCNC(=N)N)B3O[C@@H]4CC5CC(C5(C)C)[C@]4(C)O3)s2)c1,CHEMBL276881,7.89
+CNC(=N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O,CHEMBL431814,7.74
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CCCCC1)B(O)O,CHEMBL419892,8.08
+NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL99309,8.6
+CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL330206,8.42
+CN(CC(=O)N[C@@H](CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1,CHEMBL95940,9.21
+NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CC1)B(O)O,CHEMBL317137,8.96
+CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1,CHEMBL95993,7.68
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1,CHEMBL317682,8.55
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL327600,6.07
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)CC2C(=O)O)C1,CHEMBL177078,5.3
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1,CHEMBL31967,6.06
+COc1cccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1,CHEMBL29205,6.07
+CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(O)c2)cs1,CHEMBL28849,6.03
+COC(=O)Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12,CHEMBL422722,6.85
+N=C(N)c1c[nH]c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc12,CHEMBL171390,5.92
+COC(=O)/C=C/c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12,CHEMBL174008,6.55
+N=C(N)c1ccc2c(c1)c(CCO)cn2CC(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL175398,6.51
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606954,7.4
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606957,7.57
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606951,6.67
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL353712,7.7
+COC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92988,6.32
+COC(=O)CC1(C(=O)Nc2cccc(C(=N)N)c2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93445,6.64
+N=C(N)c1ccc(NC(=O)C2CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL93657,6.15
+N=C(N)c1ccc(C2=NOC(CC(=O)Nc3cccc(C(=N)N)c3)C2)cc1,CHEMBL317590,6.29
+COC(=O)CNC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL96879,6.38
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL47920,5.59
+Cc1nc(N)ccc1CNC(=O)Cn1c(C2CC2)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL49457,5.72
+CCCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C,CHEMBL45480,5.85
+Cc1nc(N)ccc1CNC(=O)Cn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL46331,5.6
+Cc1nc(N)ccc1CNC(=O)Cn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O,CHEMBL46135,5.47
+Cc1nc(N)ccc1CNC(=O)Cn1c(C2CC2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL431535,5.77
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL11157,5.49
+Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL48929,4.7
+CN(C)C(=O)COc1ccc2c3ccccc3n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1,CHEMBL174995,7.05
+CCOC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL433600,7.7
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)NC(CC(=O)O)C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL173480,7.52
+N=C(N)c1ccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)cc1,CHEMBL175333,6.6
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL176568,7.22
+N=C(N)c1ccc(CNc2ccc3ccn(Cc4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL173622,6.17
+N=C(N)c1ccc(CNc2ccc3ccn(-c4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL368762,6.16
+N=C(N)c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL367166,6.29
+N=C(N)c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(=N)N)c4)cc32)cc1,CHEMBL368839,6.39
+N=C(N)c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL172413,6.52
+CC(=N)N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369251,7.4
+N=C(N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)c1,CHEMBL174735,7.1
+N=C(N)c1cccc(CNc2ccc3ccn(-c4cccc(C(=N)N)c4)c3c2)c1,CHEMBL172147,6.39
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)N(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL368072,7.05
+N=C(N)c1ccc(-n2ccc3ccc(NCc4cccc(C(=N)N)c4)cc32)cc1,CHEMBL173419,5.79
+N=C(N)c1ccc2ccc(Cn3c4ccccc4c4ccc(OC5CCNCC5)cc43)cc2c1,CHEMBL174702,7.52
+COC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL263784,6.82
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O,CHEMBL143139,6.1
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,CHEMBL143138,5.44
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2cccnc2)c1=O,CHEMBL143008,5.42
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O,CHEMBL142546,6.07
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O,CHEMBL143418,6.1
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1,CHEMBL356296,4.33
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL19080,5.74
+Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F,CHEMBL341909,4.4
+Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F,CHEMBL142240,4.1
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)c2ccccc2)c1=O,CHEMBL142566,5.8
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccncc2)c1=O,CHEMBL143421,5.34
+Cc1ccnc(CNC(=O)Cn2c(C#N)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F,CHEMBL422299,4.21
+Cn1cc(CC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c2cc(C(=N)N)ccc21,CHEMBL342036,5.82
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)c2c1,CHEMBL136986,6.85
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343784,6.49
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)c2c1,CHEMBL136215,6.57
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL138956,6.92
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)Cc1c[nH]c2ccc(C(=N)N)cc12,CHEMBL137499,6.47
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2cc(C(=N)N)ccc21,CHEMBL140016,6.66
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343827,6.32
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL343495,7.33
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3I)c2c1,CHEMBL341920,6.62
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL343380,6.74
+CN(C(=O)Cc1c[nH]c2ccc(C(=N)N)cc12)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL138478,6.22
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Br)c2c1,CHEMBL336661,6.92
+N=C(N)c1ccc2cnn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL136100,7.39
+N=C(N)c1ccc2c(c1)C(CC(=O)Nc1ccc(-c3ccccc3S(N)(=O)=O)cc1)CN2,CHEMBL341979,6.625
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL136846,6.8
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL139432,6.41
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2ccc(C(=N)N)cc21,CHEMBL337785,6.09
+CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL342168,6.8
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL138709,6.82
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL139970,6.52
+N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL335340,6.89
+COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(=N)N)c1,CHEMBL279267,7.16
+CCOC(=O)[C@]1(C)CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL275582,6.12
+CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(=N)N)c1,CHEMBL18578,7.03
+COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL18225,7.24
+CCCCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL429068,6.96
+N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@H]2C(N)=O)c1,CHEMBL19038,6.3
+CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL276782,7.01
+COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@@H]1c1cccc(C(=N)N)c1,CHEMBL277994,6.7
+CC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL18627,6.7
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL115643,5.52
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL287614,6.24
+Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCN(C(=N)N)CC3)c2=O)cc1,CHEMBL36397,6.85
+Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL290947,6.03
+Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL37035,6.05
+Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC[C@H]3CC[C@H](N)CC3)c2=O)cc1,CHEMBL3085115,5.68
+Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL424545,5.66
+Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL37836,6.46
+Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1,CHEMBL34306,5.82
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCCCc2ccccc2)c2ccccc2)c1,CHEMBL163586,5.66
+N=C(N)c1cccc(C(=O)NCC(=O)NCC2CCC(CN)CC2)c1,CHEMBL20912,4.64
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccc(-c3ccccc3)cc2)c1,CHEMBL159833,5.96
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCCc2ccccc2)c2ccccc2)c1,CHEMBL162316,5.48
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2cccc3ccccc23)c1,CHEMBL162596,5.68
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCC2CCC(CN)CC2)C2CCCCC2)c1,CHEMBL349451,5.07
+N=C(N)c1cccc(C(=O)N[C@H](C(=O)NCC2CCC(CN)CC2)C2CCCCC2)c1,CHEMBL351732,5.44
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163112,5.66
+CSCC[C@@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL162924,5.0
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccc(Cl)cc2)c1,CHEMBL162051,5.22
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL351846,5.9
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2cccc(Cl)c2)c1,CHEMBL164249,5.35
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL162634,6.27
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1,CHEMBL164376,5.27
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL283765,6.49
+N=C(N)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCC(CN)CC2)c1,CHEMBL423420,4.9
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163578,6.19
+Cc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL352144,5.31
+CSCC[C@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL162803,5.1
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccccc2)c1,CHEMBL162635,5.3
+CC(C)[C@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL160076,4.9
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2)c1,CHEMBL435865,6.47
+CC(C)[C@@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL350793,4.79
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(CN)cc2)c2ccccc2)c1,CHEMBL348963,5.39
+COc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL162657,5.26
+N=C(N)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCC(CN)CC2)c1,CHEMBL349134,4.76
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL350632,6.34
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c1,CHEMBL159375,6.25
+COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C,CHEMBL79463,4.18
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,CHEMBL73737,8.33
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1,CHEMBL436454,8.4
+Nc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1,CHEMBL12506,4.6
+NC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1,CHEMBL108717,5.05
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1,CHEMBL42495,4.54
+CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1,CHEMBL42039,4.64
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)C1CCCCC1,CHEMBL108202,4.74
+CCN(CC)C(=O)CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1,CHEMBL441468,4.57
+Cc1cc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL354555,5.82
+Cc1cc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,CHEMBL353431,5.68
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NCCc2ccccc2)c1=O,CHEMBL349430,5.37
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1,CHEMBL355441,5.52
+Nc1cc[n+](Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1,CHEMBL47481,4.8
+Nc1cc[n+](Cc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL47543,4.11
+c1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1,CHEMBL47486,4.11
+COc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL96493,5.19
+Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL48608,6.34
+N=C(N)c1ccc2nc(-c3cccc([N+](=O)[O-])c3O)[nH]c2c1,CHEMBL327789,5.07
+N=C(N)c1ccc2nc(-c3cc(F)ccc3O)[nH]c2c1,CHEMBL92277,5.0
+N=C(N)c1ccc2nc(-c3cccc(Br)c3O)[nH]c2c1,CHEMBL330244,5.85
+N=C(N)c1ccc2nc(-c3cccc(F)c3O)[nH]c2c1,CHEMBL96494,5.46
+N=C(N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1,CHEMBL319997,4.74
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1,CHEMBL316334,5.37
+N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1,CHEMBL433501,4.64
+N=C(N)c1ccc2nc(-c3cc(Br)ccc3O)[nH]c2c1,CHEMBL94254,4.85
+CCN(CC)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL330460,4.8
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1,CHEMBL94775,7.12
+Cc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL433179,5.05
+Cn1c(-c2cccc(-c3ccccc3)c2O)nc2ccc(C(=N)N)cc21,CHEMBL96428,5.19
+N=C(N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL318363,5.8
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1,CHEMBL321510,4.77
+COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL94139,4.52
+Cc1cc(Br)c(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL95097,5.48
+Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL92964,4.82
+Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL92865,4.74
+N=C(N)c1ccc2nc(-c3ccccc3)[nH]c2c1,CHEMBL96917,4.26
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)C(=O)O)CC1,CHEMBL3084828,5.66
+CNC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084827,5.62
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)CC1,CHEMBL3084829,5.85
+Cc1nc(C(=O)C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)[C@H]2CC[C@H](N)CC2)sc1C(=O)O,CHEMBL3084830,4.19
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1,CHEMBL3084832,5.1
+N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)C(=O)NCC(=O)O)CC1,CHEMBL3084834,7.54
+CCSC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084837,6.82
+Cn1nnnc1C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1,CHEMBL3084836,7.46
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL45000,7.16
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC(C)C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL44831,7.42
+CC[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)cc1)[C@@H](Cc1cccc(C(=N)N)c1)C(=O)OC,CHEMBL48610,7.2
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL45407,7.17
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@H](NC(=O)c1ccc(-c2cccc(CN)c2)cc1)C(C)C,CHEMBL44177,6.52
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1,CHEMBL47704,7.02
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL45106,7.44
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL43264,7.12
+COC(=O)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)Cc1cccc(C(=N)N)c1,CHEMBL297371,6.64
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL417714,6.66
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1,CHEMBL45267,7.38
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL48046,7.16
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1,CHEMBL44050,7.05
+O=C(O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1,CHEMBL164985,4.7
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL19359,7.71
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1,CHEMBL19666,7.87
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3Cl)c2=O)c1,CHEMBL283555,7.12
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3F)c2=O)c1,CHEMBL279199,7.5
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3OC)c2=O)c1,CHEMBL416912,7.92
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL19731,7.31
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3)c2=O)c1,CHEMBL19453,7.73
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1,CHEMBL277695,8.36
+N=C(N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(=O)O,CHEMBL19599,7.68
+Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(=N)N)C(=O)O,CHEMBL431292,7.91
+COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(=N)N)C(=O)O)c1=O,CHEMBL19831,7.78
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc[n+](C)c2)cc1,CHEMBL295454,7.28
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ncc[nH]2)cc1,CHEMBL45298,6.31
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccnc2)cc1,CHEMBL415907,6.43
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,CHEMBL46618,6.52
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1,CHEMBL295010,7.29
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2C)cc1,CHEMBL44586,7.44
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccncc2)cc1,CHEMBL296046,7.12
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc[n+]([O-])c2)cc1,CHEMBL46969,6.89
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+](C)cc2)cc1,CHEMBL47207,6.77
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL46708,7.44
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2c[nH]cn2)cc1,CHEMBL44113,6.77
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2cccnc2)c2ccc3c(c2)OCO3)CC1,CHEMBL330791,5.632999999999999
+CC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)(c1ccccc1)c1ccccc1,CHEMBL543648,4.77
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2cccnc2)CC1,CHEMBL333238,5.622999999999999
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1,CHEMBL555333,5.6
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL555753,5.8
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1,CHEMBL122894,6.455
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)CC1,CHEMBL416795,7.03
+N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL417020,6.36
+Cc1ccc(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54311,5.09
+N=C(N)c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL49987,6.08
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50933,5.62
+CC(C)(C(=O)O)c1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL51338,5.89
+N=C(N)c1ccc2[nH]c(-c3cc(CCCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50649,6.21
+Cc1cc(C)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54093,5.3
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCCc2ccccc2)c1,CHEMBL297961,4.38
+N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL299009,6.22
+N=C(N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53478,5.89
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCc2ccccc2)c1,CHEMBL53848,5.47
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50924,5.92
+Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54018,6.15
+N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53829,5.42
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)c1,CHEMBL7651,7.587000000000001
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1C,CHEMBL353213,5.17
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1,CHEMBL167550,4.0
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1,CHEMBL101563,5.7
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL289395,6.92
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(CC1CCC1)S2(=O)=O,CHEMBL416033,5.8
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)C2CC2)c(N)c1=O,CHEMBL286634,5.55
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O,CHEMBL32752,5.72
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)c2cccs2)c(N)c1=O,CHEMBL33839,6.47
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCCC2)c(N)c1=O,CHEMBL33480,6.2
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NCC2CCC2)c(N)c1=O,CHEMBL32661,6.13
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)C2CCCCC2)c(N)c1=O,CHEMBL32881,6.59
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O,CHEMBL32541,6.26
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(CC1CC1)S2(=O)=O,CHEMBL32549,5.21
+Cc1ccc(S(=O)(=O)c2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2N)cc1,CHEMBL32825,6.1
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(C1CCC1)S2(=O)=O,CHEMBL34614,5.2
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NC2CC2)c(N)c1=O,CHEMBL291243,5.54
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NC2CCC2)c(N)c1=O,CHEMBL32931,5.96
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)c2ccccc2)c(N)c1=O,CHEMBL32531,6.3
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(C1CC1)S2(=O)=O,CHEMBL32686,5.0
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NCC2CC2)c(N)c1=O,CHEMBL32280,6.0
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)Cc2ccccc2)c(N)c1=O,CHEMBL32471,5.8
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CN1,CHEMBL2204325,5.03
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CCCN1,CHEMBL93315,5.3
+CN1CCOc2ccccc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)C1,CHEMBL96801,4.77
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1,CHEMBL418965,7.1
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccccc2CN1,CHEMBL327421,5.68
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CCCCN1,CHEMBL96376,4.32
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCCCCOc2ccc(Cl)cc2CN1,CHEMBL94413,5.4
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccccc2CN1,CHEMBL329266,5.17
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCNCc2ccccc2CN1,CHEMBL329912,4.39
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)NCCCCCCOc2ccc(Cl)cc2CN1,CHEMBL317393,6.62
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccccc2CN1,CHEMBL96599,5.34
+CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1,CHEMBL92615,7.4
+O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)C(C2CCCCC2)NC(=O)CCN1,CHEMBL94622,4.67
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCOc2ccc(Cl)cc2CN1,CHEMBL316901,7.05
+O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccc(Cl)cc2CN1,CHEMBL96354,6.96
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N[C@H](C)Cc2ccccc2)c1=O,CHEMBL336438,5.82
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)c(Cl)nc(NCCc2ccccc2)c1=O,CHEMBL140885,5.68
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NC(C)(C)Cc2ccccc2)c1=O,CHEMBL141266,5.59
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N[C@@H](C)Cc2ccccc2)c1=O,CHEMBL139178,5.32
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1,CHEMBL139331,5.92
+Cc1cc(N)nc(C)c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,CHEMBL138855,6.0
+N=C(N)c1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL332157,8.19
+NCc1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL122796,7.16
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCC2)CC1,CHEMBL82535,5.54
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCCCC2)CC1,CHEMBL82658,6.14
+N=C(N)N1CCC(OCC[C@@H]2CCCCN2C(=O)[C@H](CC(=O)O)NCc2ccccc2)CC1,CHEMBL312479,5.04
+CN(C1CCCCC1)[C@@H](CCC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL312647,6.26
+N=C(N)c1ccc(OCC[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL81056,7.05
+CN(C1CCCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL84389,6.09
+N=C(N)N1CCC(OCC[C@@H]2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCCC2)CC1,CHEMBL309403,6.15
+CN(C1CCC=CCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL84229,5.96
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@@H](Cc2ccccc2)NCC(=O)O)CC1,CHEMBL81643,5.1
+CN1CCC(N[C@@H](CC(=O)O)C(=O)N2CCCC[C@H]2CCOC2CCN(C(=N)N)CC2)CC1,CHEMBL79442,5.32
+CN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL81521,5.71
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NCC2CCCCC2)CC1,CHEMBL81436,5.8
+N=C(N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL81844,5.14
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCC2)CC1,CHEMBL81251,5.3
+CCN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCCC1CCOC1CCN(C(=N)N)CC1,CHEMBL83280,5.3
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@H](N)Cc2ccccc2)CC1,CHEMBL313788,5.8
+N=C(N)N1CCC(OCCC2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)CC1,CHEMBL309670,6.43
+CCC(CC)N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1,CHEMBL418923,5.85
+NC(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C(c1ccccc1)c1ccccc1,CHEMBL108183,5.15
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL37251,7.8
+NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F,CHEMBL151939,5.46
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1,CHEMBL559015,7.22
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(CN)c2)n1,CHEMBL134736,6.6
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL92523,7.08
+CCOCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328577,6.48
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328298,7.15
+CCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL318112,7.5
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL264626,7.31
+CCCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL330284,6.95
+CCSCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316311,6.46
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL279628,6.874
+CCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327403,7.05
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92909,7.35
+COCCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL94052,7.01
+CCS(=O)(=O)CC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328805,6.54
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)C2)c1,CHEMBL323309,7.33
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL328069,7.195
+N=C(N)c1cccc(C2=NOC(Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL91999,7.04
+CCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328582,7.11
+N=C(N)c1cccc(C2=NOC(Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL436684,7.33
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL321530,7.31
+CC(C)COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328451,6.85
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92609,7.39
+N=C(N)c1cccc(C2=NOC(CC(=O)O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL316318,6.2
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL330496,6.92
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2)c1,CHEMBL323310,6.96
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93744,7.14
+CC(C)OCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327473,6.92
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)C1(Cn2cnnn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329460,6.7
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL406295,7.14
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)(C(F)(F)F)C2)c1,CHEMBL445678,6.51
+CCSCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327201,7.27
+N=C(N)c1cccc(C2=NOC(Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL316070,7.1
+COCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327405,6.41
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL1202108,7.26
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93536,6.24
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL319206,6.64
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93227,6.59
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL433369,6.47
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(=O)OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329568,6.52
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316349,6.41
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL408928,6.92
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)nc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL321314,6.74
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328239,6.52
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92519,6.41
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL72514,7.0
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL91796,6.33
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327430,6.51
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL96433,6.89
+N=C(N)c1ccc2nc(-c3c(O)cccc3O)[nH]c2c1,CHEMBL93269,5.22
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL92251,5.48
+N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL327715,5.19
+N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,CHEMBL328772,6.54
+N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1,CHEMBL92883,6.89
+N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1,CHEMBL92250,4.52
+N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1,CHEMBL284805,5.1
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,CHEMBL330234,6.0
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1,CHEMBL91962,6.15
+COc1c(-c2ccccc2)cccc1-c1cc2cc(C(=N)N)ccc2[nH]1,CHEMBL318526,5.92
+N=C(N)Nc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(NC(=N)N)cc3)cc2)cc1,CHEMBL46120,4.14
+O=C(NCc1ccccc1)N1CCN(C(=O)O[C@H]2CCC[C@@H](OC(=O)N3CCN(C(=O)NCc4ccccc4)CC3)CCC2)CC1,CHEMBL43463,4.36
+N=C(N)Nc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(NC(=N)N)cc3)cc2)cc1,CHEMBL77911,4.25
+N=C(N)Nc1ccc(CNC(=O)NCC(=O)O[C@H]2CCC[C@@H](OC(=O)CNC(=O)NCc3ccc(NC(=N)N)cc3)CCC2)cc1,CHEMBL75749,4.11
+CN(CC(=O)NCc1ccc(CN)cc1)C(=O)OCc1ccc(COC(=O)N(C)CC(=O)NCc2ccc(CN)cc2)cc1,CHEMBL80210,4.3
+NCc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(CN)cc3)cc2)cc1,CHEMBL310290,4.08
+C[C@@H](NC(=O)OCc1ccc(COC(=O)N[C@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1,CHEMBL310289,4.42
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(NC(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL46809,4.41
+N=C(N)Nc1ccc(CNC(=O)CCCC(=O)NCc2ccc(CNC(=O)CCCC(=O)NCc3ccc(NC(=N)N)cc3)cc2)cc1,CHEMBL79545,4.15
+N=C(N)Nc1ccc(CNC(=O)CCNC(=O)OCc2ccc(COC(=O)NCCC(=O)NCc3ccc(NC(=N)N)cc3)cc2)cc1,CHEMBL408300,4.14
+N=C(N)c1ccc(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL448786,4.68
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OC3CC4CC(OC(=O)N5CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC5)CC4C3)CC2)cc1,CHEMBL308074,5.4
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OC[C@H]3CC[C@H](COC(=O)N4CCN(C(=O)NCc5ccc(NC(=N)N)cc5)CC4)CC3)CC2)cc1,CHEMBL308632,4.55
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL76796,4.28
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCCC5CCNCC5)CC4)CCC3)CC2)cc1,CHEMBL77998,4.1
+NCC12CCC(CNC(=O)N3CCN(C(=O)O[C@H]4CCC[C@@H](OC(=O)N5CCN(C(=O)NCC67CCC(CN)(CC6)CC7)CC5)CCC4)CC3)(CC1)CC2,CHEMBL312023,4.02
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCc3ccc(COC(=O)N4CCN(C(=O)NCc5ccc(NC(=N)N)cc5)CC4)cc3)CC2)cc1,CHEMBL75750,4.77
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL76883,4.7
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL311655,4.47
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CCC(COC(=O)N5CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC5)(CC3)CC4)CC2)cc1,CHEMBL432172,4.7
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OC[C@H]3C4C=CC(CC4)[C@@H]3COC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL77007,4.82
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CC5CC(C3)CC(COC(=O)N3CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC3)(C5)C4)CC2)cc1,CHEMBL78283,4.77
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@@H]3CO[C@@H]4[C@H](OC(=O)N5CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC5)CO[C@H]34)CC2)cc1,CHEMBL306620,4.82
+N=C(N)c1ccc(CCNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL310760,4.18
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL307427,4.27
+N=C(N)Nc1ccc(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)Cc5ccc(NC(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL309830,4.09
+N=C(N)c1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL298256,4.6
+N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1,CHEMBL75972,4.54
+N=C(N)c1ccc(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)Cc5ccc(C(=N)N)cc5)CC4)CCC3)CC2)cc1,CHEMBL311482,4.96
+N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,CHEMBL164138,7.52
+N=C(N)c1ccc2ccccc2c1,CHEMBL105171,5.11
+CCC1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL108447,7.09
+CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109367,7.38
+CC(C)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111471,7.29
+CCc1ccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1,CHEMBL111660,5.88
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1,CHEMBL418839,7.96
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)NCC4)ccc2c1,CHEMBL111338,7.41
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1,CHEMBL320749,6.63
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1,CHEMBL104937,6.485
+N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1,CHEMBL111575,7.25
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CO)cc3)ccc2c1,CHEMBL111432,6.59
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)ccc2c1,CHEMBL324168,5.68
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCNC4)ccc2c1,CHEMBL111567,7.04
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1,CHEMBL111543,7.89
+N#Cc1ccc2cc(NC(=O)c3ccccc3)ccc2c1,CHEMBL109287,5.58
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,CHEMBL323387,7.24
+CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL442201,7.37
+CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109535,6.94
+N=C(N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)C1,CHEMBL332716,5.4
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1,CHEMBL320233,8.52
+CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL104211,7.96
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL319047,7.35
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL321319,8.46
+N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1,CHEMBL103043,5.77
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL104505,7.4
+CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1,CHEMBL421214,7.92
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1,CHEMBL105395,7.52
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,CHEMBL104166,7.7
+N=C(N)c1ccc2cccc(N)c2c1,CHEMBL319264,6.7
+COc1ccc2ccc(C(=N)N)cc2c1C1CCOC1,CHEMBL320817,6.49
+COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1,CHEMBL321944,5.57
+COc1ccc2ccc(C(=N)N)cc2c1-c1ccoc1,CHEMBL104904,5.92
+CC(=N)N1CC[C@H](Oc2ccc([C@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL19902,6.21
+N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc32)CC1,CHEMBL364255,6.07
+CC1=CCN(C(=O)[C@H](Cc2ccc(C(=N)N)cc2)NS(=O)(=O)c2ccc3c(c2)CN(C)CC3)[C@@H](C(=O)O)C1,CHEMBL430526,9.34
+N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1,CHEMBL1201881,6.54
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4cccnc4s3)C2=O)c1,CHEMBL328721,5.54
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,CHEMBL330572,6.0
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4O)C3=O)cc2c1,CHEMBL93854,6.52
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431267,5.8
+COc1ccc2sc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2n1,CHEMBL96218,6.07
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,CHEMBL85757,5.54
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431281,5.74
+COc1ccc(-n2c(=O)n3n(c2=O)C(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)C=CC3CC(C)C)cc1,CHEMBL73970,9.55
+CC(C)CCn1c(=O)n2n(c1=O)C(C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(C(N)=O)cc1)C=CC2CC(C)C,CHEMBL75269,9.37
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1,CHEMBL1907779,5.75
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1,CHEMBL1907778,5.88
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)c1,CHEMBL71418,6.62
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL308400,5.82
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccn3)s2)c1,CHEMBL72350,5.85
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccnc(C(N)=O)c3)cc2)c1,CHEMBL67692,5.66
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1,CHEMBL68737,5.85
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cccnc3)cc2)c1,CHEMBL302064,5.72
+CC(C)(C)c1ccc(C(=O)NC/C=C/c2cc(C(=N)N)ccc2O)cc1,CHEMBL305425,5.64
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(C(N)=O)cc3)cc2)c1,CHEMBL68486,5.85
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1,CHEMBL421676,5.74
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)c1,CHEMBL71058,5.8
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2cc3n[nH]c(=O)cc3s2)c1,CHEMBL73774,5.85
+CC(C)(C)c1ccc(C(=O)NCCCc2cc(C(=N)N)ccc2O)cc1,CHEMBL70741,5.66
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C(C)=C/c1cccc(N)c1,CHEMBL25478,7.14
+CC(=N)N1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1,CHEMBL25351,8.52
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1ccc(N)cc1,CHEMBL423480,6.49
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1ccc(N)cc1,CHEMBL280342,6.46
+CCc1nc2c(NC(C)=O)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL280769,7.6
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1cccc(-c2ccc(C(=N)N)cc2)c1,CHEMBL25698,6.16
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C(C)=C/c1cccc(N)c1,CHEMBL24565,8.16
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL25474,6.39
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25184,7.04
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL24915,6.89
+CC(=N)N1CCC(Oc2ccc3c(nc(C(C)C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1,CHEMBL283293,8.52
+CCc1nc2c(N(C)C)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL24012,8.0
+CCc1nc2c(N)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL277204,7.62
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL24907,8.3
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25063,6.82
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25477,7.37
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL283901,6.85
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cccc(N)c1,CHEMBL24460,7.68
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25068,6.92
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cccc(N)c1,CHEMBL25484,7.49
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL282260,6.72
+CCc1nc2c([N+](=O)[O-])c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL25073,8.3
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2ccc(C(=N)N)cc2)c1,CHEMBL279721,6.37
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL25527,7.17
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL24780,7.14
+CCc1nc2c(N(CC(=O)O)CC(=O)O)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL281591,7.82
+CCCOc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1-c1ccccn1,CHEMBL317917,6.74
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL288862,5.0
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL41220,4.89
+CC1CCCCN1C(=O)N(Cc1cccc(C(=N)NO)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL43817,4.17
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCCCC2)cc1,CHEMBL43017,4.64
+N=C(NO)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL39078,4.49
+N=C(NO)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL39587,4.89
+CC1CCN(C(=O)N(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL37318,6.96
+CC1CCCCN1C(=O)N(Cc1ccc(C(=N)NO)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL37857,4.35
+N=C(N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL38626,6.85
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)NO)c3)C(=O)N3CCCCCC3)ccc2c1,CHEMBL289331,4.77
+COc1ccc2cc(S(=O)(=O)NN(Cc3ccc(C(=N)N)cc3)C(=O)N3CCC(C)CC3)ccc2c1,CHEMBL291101,4.74
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)N)c3)C(=O)N3CCCCCC3)ccc2c1,CHEMBL41947,7.28
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)NO)c3)C(=O)N3CCCCC3C)ccc2c1,CHEMBL41359,4.33
+CC1CCCCN1C(=O)N(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL39760,4.59
+N=C(N)c1ccc(OCCOc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204150,5.3
+COc1cc(C(=N)N)ccc1OCCCOc1ccc(C(=N)N)cc1OC,CHEMBL3216660,5.89
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204159,5.74
+N=C(N)c1ccc(NCCNc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204160,4.9
+N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL3216902,5.57
+COc1cc(C(=N)N)ccc1OCCCCCOc1ccc(C(=N)N)cc1OC,CHEMBL3216435,5.89
+N=C(N)c1ccc(NCCCCCNc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1202472,5.32
+N=C(N)c1cccc(OCCCCCCOc2cccc(C(=N)N)c2)c1,CHEMBL3216215,5.4
+N=C(N)c1ccc(NCCCCNc2ccc(C(=N)N)cc2)cc1,CHEMBL1204156,5.8
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL494163,5.64
+N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL3216426,5.48
+N=C(N)c1ccc(NCCCNc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204153,4.99
+N=C(N)c1cccc(OCCCCCOc2cccc(C(=N)N)c2)c1,CHEMBL3215566,5.42
+N=C(N)c1ccc(OCCCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CHEMBL3216662,5.27
+N=C(N)c1ccc(OCCCCOc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204149,5.04
+N=C(N)c1ccc(NCCCNc2ccc(C(=N)N)cc2)cc1,CHEMBL1204157,5.96
+N=C(N)c1ccc(NCCCCCNc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CHEMBL1204154,5.1
+N=C(N)c1cccc(OCCCOc2cccc(C(=N)N)c2)c1,CHEMBL3217116,5.96
+N=C(N)c1ccc(NCCCCCCNc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204161,5.28
+N=C(N)c1ccc(OCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL3216029,5.82
+N=C(N)c1ccc(NCCCNc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CHEMBL1204155,5.37
+N=C(N)c1ccc(NCCCCNc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL1204152,4.95
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CHEMBL3216901,6.0
+N=C(N)c1ccc(NCCCCCNc2ccc(C(=N)N)cc2)cc1,CHEMBL492579,5.85
+N=C(N)c1ccc(OCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL1204158,5.14
+N=C(N)c1cccc(OCCCCOc2cccc(C(=N)N)c2)c1,CHEMBL3216032,5.74
+N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2N)c(N)c1,CHEMBL3215570,5.24
+CCCCCCCCCCN[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)CN[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)OC)C(C)C)C(C)C,CHEMBL341266,5.72
+CCCCCCCCCCN[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)OC)C(C)C)C(C)C,CHEMBL410994,4.68
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN,CHEMBL116202,4.43
+NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,CHEMBL419773,6.38
+COc1ccc2cc(S(=O)(=O)NC(Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL334257,4.85
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CN,CHEMBL116015,4.17
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(CN)c1,CHEMBL117147,4.64
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1,CHEMBL296041,4.7
+Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN,CHEMBL116258,5.8
+CN(C(=O)C(Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1,CHEMBL119820,5.2
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(CN)cc1,CHEMBL115755,5.89
+N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL321130,4.05
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN,CHEMBL420682,5.73
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL117098,5.21
+N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O,CHEMBL3216390,7.35
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1,CHEMBL102502,7.22
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1,CHEMBL102345,6.77
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)c1,CHEMBL104995,7.28
+N=C(N)c1cccc(N2CCCCN(C3CCN(CCc4ccccc4)CC3)C2=O)c1,CHEMBL556200,6.0
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160810,6.92
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)C2=O)c1,CHEMBL1160812,6.72
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4N)CC3)C2=O)c1,CHEMBL1160791,6.89
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160792,7.24
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)c1,CHEMBL103993,7.1
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CCC1)C2,CHEMBL274152,6.38
+CCC[C@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL275110,4.66
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC(C)C)C2,CHEMBL275520,6.24
+CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL10800,6.29
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2,CHEMBL10545,4.9
+Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CC1)C2,CHEMBL10785,6.11
+CC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,CHEMBL10657,5.38
+COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1,CHEMBL179938,6.24
+COc1cc(CNc2ccc(C(=N)N)cc2)c(NS(C)(=O)=O)cc1OCc1ccccc1,CHEMBL180105,6.4
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1,CHEMBL180104,6.38
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1OCc1ccccc1,CHEMBL178616,7.4
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1,CHEMBL178134,7.3
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(C(=O)Cc2ccccc2)cc1OCc1ccccc1,CHEMBL366921,7.1
+COc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC,CHEMBL179983,5.77
+CCOc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OCC,CHEMBL360313,5.7
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL179270,6.68
+CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL180857,5.96
+CCOc1ccc(CNc2ccc(C(=N)N)cc2)cc1OCC,CHEMBL181265,5.7
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2cc(Cl)ccc2-c2ncccc21,CHEMBL191441,6.52
+N=C(N)c1ccc(N)cc1,CHEMBL1562872,5.05
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315243,8.08
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315239,7.36
+C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N[C@@H](CO)C(=O)O,CHEMBL3642856,9.28
+C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)NCC(=O)O,CHEMBL3642857,9.36
+C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)O,CHEMBL3642858,9.16
+CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)NCC(=O)O,CHEMBL3642859,8.9
+CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N[C@@H](CO)C(=O)O,CHEMBL3642860,8.95
+CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)O,CHEMBL3642861,8.82
+C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CC(=O)O,CHEMBL3642862,9.0
+CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CC(=O)O,CHEMBL3642863,8.14
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+CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCC(=O)NCC(=O)O,CHEMBL3672889,8.85
+CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H]1CC[C@H](C(=O)O)CC1,CHEMBL3672890,8.59
+CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CC1,CHEMBL3672891,8.66
+CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CCC1,CHEMBL3672892,8.33
+CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCc1nn[nH]n1,CHEMBL3672893,8.45
diff --git a/chembl_200/CHEMBL2094116.csv b/chembl_200/CHEMBL2094116.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e55fd221ecd7276605fe7b2eb296cf71f95f32db
--- /dev/null
+++ b/chembl_200/CHEMBL2094116.csv
@@ -0,0 +1,465 @@
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+CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,CHEMBL91771,7.24
+Nc1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2c1CCO2,CHEMBL91147,10.0
+Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2c1CCO2,CHEMBL312898,7.7
+O=C(N[C@H]1CN2CCC1CC2)c1cc(Cl)cc2c1OCC2,CHEMBL419496,9.0
+Nc1c(Cl)cc(C(=O)O[C@@H]2CN3CCC2CC3)c2c1CCO2,CHEMBL92100,9.7
+CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,CHEMBL315071,6.6
+CCCC[N+]12CCC(CC1)[C@H](NC(=O)c1cc(Cl)c(N)c3c1OCC3)C2,CHEMBL423504,7.14
+CCCC[N+]12CCC(CC1)[C@@H](NC(=O)c1cc(Cl)c(N)c3c1OCC3)C2,CHEMBL314198,8.0
+Nc1c(Cl)cc(C(=O)OCCCN2CCCCC2)c2c1CCO2,CHEMBL91842,5.93
+O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1OCC2,CHEMBL88310,9.0
+Nc1c(Cl)cc(C(=O)N[C@H]2CN3CCC2CC3)c2c1CCO2,CHEMBL89259,9.0
+CCCCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL113204,9.02
+CN1C2CCC1CC(OC(=O)c1cc(=O)n(C)c3ccccc13)C2,CHEMBL419012,8.59
+CN1C2CCC1CC(OC(=O)c1cc(=O)n(Cc3ccccc3)c3ccccc13)C2,CHEMBL114444,8.89
+CCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL148430,9.49
+CCCCn1c(=O)c(CC)c(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL359246,6.8
+CCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL111059,9.41
+CCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL322751,8.96
+CC(C)Cn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL113519,9.33
+CN1C2CCC1CC(OC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2,CHEMBL333371,9.29
+CCCn1c(=O)cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL113118,7.17
+CC(C)n1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL111448,10.49
+COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL112941,9.24
+CN1C2CCC1CC(NC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2,CHEMBL112942,7.2
+CCCOc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL109813,7.38
+CCCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2cc(C)ccc21,CHEMBL144560,7.36
+CCCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL112237,9.17
+CC(C)CCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL326545,8.82
+CCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL325349,9.35
+CCCCCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL112224,8.96
+CCCCOc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL114080,7.72
+CCCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL423687,8.49
+CC(C)Oc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL332037,7.28
+CCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL321477,9.07
+CCCCN1C(=O)CC(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL424117,8.06
+CCCCn1c(=O)cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL324243,7.22
+CCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL325235,9.06
+CC(C)Oc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL148076,9.51
+CC(C)COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1,CHEMBL113742,9.36
+CN1C2CCC1CC(OC(=O)c1cc(=O)[nH]c3ccccc13)C2,CHEMBL148398,8.36
+CN1C2CCC1CC(OC(=O)c1ccnc3ccccc13)C2,CHEMBL147262,8.15
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2,CHEMBL2107804,7.462000000000001
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL280063,4.7
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,5.52
+Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL16123,5.7
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15456,4.52
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15941,5.1
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL15637,5.7
+Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL415985,4.7
+Cn1c(=O)sc2cc(CCCCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL15986,5.0
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15955,4.7
+Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL15809,5.7
+C[N+]1(C)CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL163595,7.89
+CN1CCN(c2ccc3c(n2)CCCC3)CC1,CHEMBL163440,7.23
+c1ccc(CN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)cc1,CHEMBL162390,7.96
+CN1CCCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL352148,8.32
+CN1CCN(c2cccc(Cl)n2)CC1,CHEMBL337213,7.42
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL41140,7.24
+CN1CCN(c2ccc3c(n2)-c2ccccc2CC3)CC1,CHEMBL351752,6.7
+CCN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL164031,8.72
+CN1CCN(c2ccc3c(n2)C2CCCCC2CC3)CC1,CHEMBL162437,6.18
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,8.92
+CN1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1,CHEMBL352107,7.85
+CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL43355,9.714
+CN1CCN(c2nc3c(c4c2CCCC4)CCCC3)CC1,CHEMBL163279,6.96
+CN1CCN(c2ccccn2)CC1,CHEMBL126350,7.09
+CN1CCN(c2ccc3c(n2)CCc2ccccc2-3)CC1,CHEMBL165721,6.08
+CN1CCN(c2ccc3ccc4ccccc4c3n2)CC1,CHEMBL349542,6.7
+CN1CCN(c2cccc(I)n2)CC1,CHEMBL336522,7.32
+CN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL288591,8.52
+CN1CCN(c2nc3ccccc3c3ccccc23)CC1,CHEMBL43193,8.72
+COc1cc(N)c(Cl)cc1C(=O)NCC12CC3CN(CC3C1)C2,CHEMBL67555,8.3
+CCCN1CCN(c2nc3ccccc3nc2C#N)CC1,CHEMBL330471,7.4
+N#Cc1nc2ccccc2nc1N1CCNCC1,CHEMBL92871,7.05
+CCN1CCN(c2nc3ccccc3nc2C#N)CC1,CHEMBL92529,7.0
+C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1,CHEMBL90769,8.1
+Cc1nc[nH]c1CN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL1160932,9.3
+Cc1nc[nH]c1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,CHEMBL1160917,8.01
+O=C1N(c2cccc([N+](=O)[O-])c2)CCN1C1CN2CCC1CC2,CHEMBL111882,8.0
+O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CN2CCC1CC2,CHEMBL114921,7.01
+Cc1nc[nH]c1CN1CCN(c2cccc(C#N)c2)C1=O,CHEMBL1160930,8.57
+Cc1nc[nH]c1CN1CCN(c2cccc([N+](=O)[O-])c2)C1=O,CHEMBL609962,8.18
+COc1cccc(N2CCN(Cc3[nH]cnc3C)C2=O)c1,CHEMBL1160923,8.44
+O=C1N(c2ccccc2)CCN1C1CN2CCC1CC2,CHEMBL114387,8.1
+CCn1cnc(CN2CCN(c3ccccc3)C2=O)c1C,CHEMBL1160931,7.07
+COc1ccc(Cl)cc1N1CCN(C2CN3CCC2CC3)C1=O,CHEMBL326150,7.4
+O=C1N(c2cccc(Cl)c2)CCN1C1CN2CCC1CC2,CHEMBL114100,8.7
+O=C1N(c2ccc(Cl)cc2)CCN1C1CN2CCC1CC2,CHEMBL114569,6.68
+CN1C2CCC1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2,CHEMBL285999,9.59
+Cc1nc[nH]c1CN1CCN(c2cccc(Br)c2)C1=O,CHEMBL1160929,9.21
+Cc1c(CN2CCN(c3ccccc3)C2=O)ncn1C,CHEMBL1160921,8.07
+O=C1N(c2cccc(Br)c2)CCN1C1CN2CCC1CC2,CHEMBL333144,8.52
+COc1ccc(Cl)cc1N1CCN(C2CC3CCC(C2)N3C)C1=O,CHEMBL114911,6.4
+CN1C2CCC1CC(N1CCN(c3ccccc3)C1=O)C2,CHEMBL333398,7.92
+Cc1nc[nH]c1CN1CCN(c2ccccc2Cl)C1=O,CHEMBL1160918,6.54
+CCn1cnc(C)c1CN1CCN(c2ccccc2)C1=O,CHEMBL115288,7.17
+COc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1,CHEMBL114101,8.22
+N#Cc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1,CHEMBL320994,7.52
+CN1C2CCCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL117551,6.52
+CSc1cccc(N2CCN(Cc3[nH]cnc3C)C2=O)c1,CHEMBL1160928,8.8
+Cc1nc[nH]c1CN1CCN(c2ccc(Cl)cc2)C1=O,CHEMBL1160919,7.72
+Cc1nc[nH]c1CN1CCN(c2ccccc2)C1=O,CHEMBL1160925,8.47
+Cc1cc(C)cc(N2CCN(Cc3[nH]cnc3C)C2=O)c1,CHEMBL1160920,9.38
+Cc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1,CHEMBL114093,8.4
+CN1C2CCCC1CC(N1CCN(c3ccccc3)C1=O)C2,CHEMBL112161,6.72
+Cc1nc[nH]c1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,CHEMBL1160926,10.42
+Cc1ncn(C)c1CN1CCN(c2ccccc2)C1=O,CHEMBL333834,7.26
+Cc1nc[nH]c1CN1CCN(c2cccc(F)c2)C1=O,CHEMBL1160924,8.43
+O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CN2CCC1CC2,CHEMBL113213,9.0
+O=C1N(Cc2cnc[nH]2)CCN1c1ccccc1,CHEMBL1160922,8.4
+CSc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1,CHEMBL114042,8.22
+Cc1cccc(N2CCN(Cc3[nH]cnc3C)C2=O)c1,CHEMBL1160927,9.03
+CN1C2CCC1CC(NC(=O)c1c3ccccc3nn1C)C2,CHEMBL39109,5.98
+CN1C2CCC1CC(NC(=O)c1[nH]nc3ccccc13)C2,CHEMBL38582,8.37
+CC(C)n1c(=O)n(C(=O)NN2CCN(C)CC2)c2ccccc21,CHEMBL317377,6.7
+CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL59834,9.05
+CC(C)n1c(=O)n(C(=O)NCN2CCN(C)CC2)c2ccccc21,CHEMBL96960,6.51
+CCOc1ccccc1C(=O)N[C@H]1CN2CCC1CC2,CHEMBL432483,7.0
+COc1ccc2ccccc2c1C(=O)NC1CN2CCC1CC2,CHEMBL38993,6.47
+O=C(N[C@@H]1CN2CCC1CC2)c1ccccc1,CHEMBL43243,6.83
+O=C(N[C@@H]1CN2CCC1CC2)c1cccc2ccccc12,CHEMBL290730,7.49
+CCCOc1ccccc1C(=O)N[C@H]1CN2CCC1CC2,CHEMBL39455,7.15
+O=C(N[C@H]1CN2CCC1CC2)c1ccccc1,CHEMBL41294,5.72
+CCCOc1ccccc1C(=O)N[C@@H]1CN2CCC1CC2,CHEMBL289148,7.95
+O=C1c2ccc3ccccc3c2C(=O)N1[C@@H]1CN2CCC1CC2,CHEMBL416805,6.92
+CCOc1ccccc1C(=O)N[C@@H]1CN2CCC1CC2,CHEMBL290866,7.72
+COc1ccccc1C(=O)N[C@H]1CN2CCC1CC2,CHEMBL290132,6.39
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2,CHEMBL27846,8.471
+O=C1c2ccc3ccccc3c2C(=O)N1[C@H]1CN2CCC1CC2,CHEMBL38418,8.22
+Nc1ccc2cccc3c2c1C(=O)N(C1CN2CCC1CC2)C3=O,CHEMBL289126,9.82
+COc1ccccc1C(=O)N[C@@H]1CN2CCC1CC2,CHEMBL43127,7.63
+Cc1nc[nH]c1CCC(=O)c1cn2c3c(cccc13)CCC2,CHEMBL333737,10.12
+Cc1nccn1CC1CCc2c(c3cccc4c3n2CCO4)C1=O,CHEMBL123010,8.89
+Cc1nccn1CC1CCc2c(c3cccc4c3n2CCCC4)C1=O,CHEMBL332767,9.113
+Cc1nc[nH]c1CCC(=O)c1cn2c3c(cccc13)CCCC2,CHEMBL421424,9.48
+Cc1nccn1CC1CCc2c(c3cccc4c3n2CC4)C1=O,CHEMBL333466,9.64
+Cc1nccn1CC1CCc2c(c3cccc4c3n2CCCCC4)C1=O,CHEMBL123643,8.96
+Cc1nc[nH]c1CCC(=O)c1cn2c3c(cccc13)SCC2,CHEMBL122904,9.72
+Cc1nc[nH]c1CCC(=O)c1cn(C)c2ccccc12,CHEMBL122903,9.55
+Cc1nccn1CC1CCc2c(c3cccc4c3n2CCS4)C1=O,CHEMBL331234,9.11
+COc1cc(N)c(Cl)cc1C(=O)NCC1CCN2CCCC12,CHEMBL37544,6.77
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.92
+COc1cc(N)c(Cl)cc1C(=O)N[C@]12CN3CCC1C2C3,CHEMBL1907770,9.64
+COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN2CCC[C@H]12,CHEMBL37333,7.18
+COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12,CHEMBL34291,6.82
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN2CCCC12,CHEMBL36005,7.6
+O=C1c2cccc3c(Br)ccc(c23)C(=O)N1C1CN2CCC1CC2,CHEMBL350423,7.39
+O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1C1CN2CCC1CC2,CHEMBL346555,7.51
+O=C1c2cccc3cccc(c23)CN1[C@H]1CN2CCC1CC2,CHEMBL162123,8.64
+Nc1ccc2c3c(cccc13)C(=O)N([C@H]1CN3CCC1CC3)C2=O,CHEMBL350824,9.82
+O=c1[nH]c2ccccc2c(=O)n1C1CN2CCC1CC2,CHEMBL351217,7.1
+O=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CN2CCC1CC2,CHEMBL160087,7.52
+CN1C2CCC1CC(N1C(=O)c3cccc4cccc(c34)C1=O)C2,CHEMBL161113,6.43
+COc1ccccc1C(=O)NC1CN2CCC1CC2,CHEMBL159305,7.66
+O=C1c2cccc3cccc(c23)C(=O)N1[C@@H]1CN2CCC1CC2,CHEMBL349472,7.21
+O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CN2CCC1CC2,CHEMBL161922,9.05
+CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL159609,7.82
+O=C1c2cccc3cccc(c23)C(=O)N1C1CN2CCC1CC2,CHEMBL348156,8.57
+Nc1ccc2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)C2=O,CHEMBL350489,7.63
+Nc1ccc2c3c(cccc13)C(=O)N(C1CN3CCC1CC3)C2=O,CHEMBL161069,9.3
+O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1C1CN2CCC1CC2,CHEMBL159552,7.85
+O=C1c2cccc3cccc(c23)CN1[C@@H]1CN2CCC1CC2,CHEMBL351218,8.66
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,5.54
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.15
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,5.78
+CN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1,CHEMBL304193,8.8
+CN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1,CHEMBL62589,8.42
+CCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1,CHEMBL64146,7.28
+c1ccc2c(c1)OCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL64879,7.94
+CCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1,CHEMBL62449,7.27
+CN(C)CCSc1nc2ccccc2c2c1CCOc1ccccc1-2,CHEMBL304016,7.34
+COc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12,CHEMBL291771,7.38
+CN(C)CCSc1nc2ccccc2c2c1oc1ccccc12,CHEMBL64145,6.39
+c1ccc2c(c1)ccc1c(N3CCNCC3)nc3ccccc3c12,CHEMBL61007,6.885
+CN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1,CHEMBL417706,8.433
+CCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1,CHEMBL64416,8.1
+c1ccc2c(c1)OCCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL59871,7.91
+c1ccc2c(c1)CCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL62636,8.27
+COc1cc2c(N3CCNCC3)nc3ccccc3c2c2ccccc12,CHEMBL303999,7.18
+CCN1CCN(c2nc3ccccc3c3c2cc(OC)c2ccccc23)CC1,CHEMBL293218,6.655
+CCN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1,CHEMBL293703,7.84
+c1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12,CHEMBL430566,7.49
+CN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1,CHEMBL293866,7.9
+CCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1,CHEMBL292260,7.79
+CN1CCC(NC(=O)c2cc(Cl)cc3nc[nH]c23)CC1,CHEMBL18769,7.53
+CN1CCC(NC(=O)c2cccc3nc[nH]c23)CC1,CHEMBL18473,6.84
+Cc1nc[nH]c1Cc1nc(-c2ccccc2)cs1,CHEMBL38465,8.82
+c1ccc(-c2csc(Cc3cnc[nH]3)n2)cc1,CHEMBL289060,9.0
+Cc1ncc(Cc2nc(-c3ccccc3)cs2)[nH]1,CHEMBL288435,6.65
+N=C(N)NCc1nc(-c2c[nH]c3ccccc23)cs1,CHEMBL40260,8.48
+Cc1nc[nH]c1Cc1nc(-c2c[nH]c3ccccc23)cs1,CHEMBL290938,7.98
+c1ccc2c(-c3csc(Cc4cnc[nH]4)n3)c[nH]c2c1,CHEMBL41077,7.85
+COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1N(C)C2,CHEMBL57686,6.49
+CN1CCN(c2nc3ncccc3n3cccc23)CC1,CHEMBL423899,8.6
+Cc1cccc2nc(N3CCN(C)CC3)c3cccn3c12,CHEMBL136978,9.1
+c1csc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c1,CHEMBL337101,8.5
+c1ccc(CN2CCN(c3nc4ncccc4n4cccc34)CC2)cc1,CHEMBL137621,8.7
+OCCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1,CHEMBL136108,8.1
+Cc1cccc2nc(N3CCNCC3)c3cccn3c12,CHEMBL342690,9.0
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC2CCCO2)CC1,CHEMBL289732,8.44
+C=Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1O,CHEMBL289486,9.05
+CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO)CC1,CHEMBL41841,9.22
+CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCO2)CC1,CHEMBL289664,9.15
+CN1CCN(c2ccnc3c2ccc2ccccc23)CC1,CHEMBL41256,6.31
+CN1CCN(c2nc3ccccc3c3c2C(=O)c2ccccc2-3)CC1,CHEMBL290472,7.7
+CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)CC1,CHEMBL41379,7.1
+CCCCOCc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1,CHEMBL43305,7.54
+CN1CCN(c2nc3c(c4c2CSc2ccccc2-4)CCCC3)CC1,CHEMBL290087,5.57
+CN1CCN(c2nc3c(c4c2CCc2ccccc2-4)CCCC3)CC1,CHEMBL38814,5.64
+CN1CCN(c2nccc3c2CCc2ccccc2-3)CC1,CHEMBL288497,7.8
+CCOC(=O)Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1,CHEMBL41511,9.22
+CCOC(=O)c1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1,CHEMBL289794,8.39
+CN1CCN(c2nccc3c2ccc2ccccc23)CC1,CHEMBL38843,7.54
+CN1CCN(c2cc(-c3ccccc3)c3ccccc3c2)CC1,CHEMBL41414,5.96
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1,CHEMBL39081,8.62
+CCCCOC(=O)c1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1,CHEMBL288643,7.92
+CCOC(=O)c1c(N2CCN(C)CC2)nc2cccc3c2c1-c1ccccc1-3,CHEMBL3707025,8.41
+CN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1,CHEMBL41598,8.27
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC(=O)c2ccccc2)CC1,CHEMBL43304,8.06
+CN1CCN(c2cc3c4c(cccc4n2)-c2ccccc2-3)CC1,CHEMBL43512,8.74
+CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCCO2)CC1,CHEMBL290065,8.72
+CCCN(CCC)C(=O)c1c(N2CCN(C)CC2)nc2cccc3c2c1-c1ccccc1-3,CHEMBL3707024,8.52
+c1ccc2c(c1)ccc1c(N3CCOCC3)nccc12,CHEMBL289384,5.31
+CCCCOC(=O)c1c(N2CCN(C)CC2)nc2cccc3c2c1-c1ccccc1-3,CHEMBL3707026,7.11
+CN1CCN(c2nc3ccccc3c3c2CCc2sccc2-3)CC1,CHEMBL288069,8.24
+CN1CCN(c2nc3ccccc3c3c2CSc2ccccc2-3)CC1,CHEMBL38919,7.72
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CO)CC1,CHEMBL42912,9.01
+CN1CCN(c2nc3ccccc3c3c2CCC2CCCCC32)CC1,CHEMBL43187,7.54
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO)CC1,CHEMBL39364,9.4
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCOC2CCCO2)CC1,CHEMBL42911,9.1
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,5.92
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,7.28
+CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL7430,7.39
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,7.4
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,7.4
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,7.66
+CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL90882,7.08
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,7.51
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,7.41
+CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL88464,7.24
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,7.0
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,6.92
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,7.09
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,7.31
+CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL89970,7.39
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,7.46
+Cc1[nH]c2ccccc2c(=O)c1C(=O)OC1CC2CCC(C1)N2C,CHEMBL158895,7.24
+Cc1[nH]c2ccccc2c(=O)c1C(=O)NC1CC2CCC(C1)N2C,CHEMBL113045,8.14
+CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2cccnc21,CHEMBL109555,8.19
+CN1C2CCC1CC(OC(=O)c1cnc3ccccc3c1)C2,CHEMBL157689,7.17
+CN1C2CCC1CC(NC(=O)c1c(O)[nH]c3ccccc3c1=O)C2,CHEMBL160714,8.12
+CN1C2CCC1CC(NC(=O)c1c(O)c3cccnc3n(-c3ccccc3)c1=O)C2,CHEMBL156920,7.85
+CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc3c1=O)C2,CHEMBL419391,8.21
+O=C(NC1CCN2CCCC1C2)c1c[nH]c2ccccc2c1=O,CHEMBL346272,7.74
+CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2ccccc21,CHEMBL320480,9.32
+CN1C2CCC1CC(NC(=O)c1cnc3ccccc3c1Cl)C2,CHEMBL158947,7.07
+CN1C2CCCC1CC(NC(=O)c1c[nH]c3ccccc3c1=O)C2,CHEMBL156743,7.52
+CN1C2CCC1CC(NC(=O)c1c(O)c3ccccc3n(-c3ccccc3)c1=O)C2,CHEMBL324756,8.85
+Cc1cc(Cl)cc2nc(N3CCCN(C)CC3)oc12,CHEMBL104985,8.96
+Nc1ccc2c3c(cccc13)C(=O)N([C@H]1C[N+]3(CCl)CCC1CC3)C2=O,CHEMBL1788272,9.46
+Nc1ccc2c3c(cccc13)C(=O)N([C@@H]1C[N+]3(CCl)CCC1CC3)C2=O,CHEMBL1744070,6.48
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2,CHEMBL1788271,7.83
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2,CHEMBL2093061,7.7
+COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC1CN2C,CHEMBL294894,8.115
+Clc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL294083,9.5
+CN1CCN(c2nc3ccccc3c3c2CN(C)CC3)CC1,CHEMBL63091,8.5
+Cn1c(N2CCNCC2)nc2ccccc21,CHEMBL62270,7.3
+CCCn1c(N2CCNCC2)nc2ccccc21,CHEMBL60103,8.0
+CN1CCN(c2nc3ccccc3c3c2CSCC3)CC1,CHEMBL62451,9.4
+CN(C)CCSc1nc2ccccc2c2c1ccc1ccccc12,CHEMBL62890,5.0
+c1ccc2c(c1)nc(N1CCNCC1)n2C1CC1,CHEMBL60102,8.8
+COc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1,CHEMBL64801,8.4
+Fc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL63025,9.5
+Oc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1,CHEMBL59689,9.0
+COc1cccc2nc(N3CCNCC3)n(Cc3ccccc3)c12,CHEMBL294109,9.4
+CCn1c(N2CCNCC2)nc2ccccc21,CHEMBL64782,7.1
+c1ccc2[nH]c(N3CCNCC3)nc2c1,CHEMBL292066,7.5
+CCc1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL62452,9.27
+COc1cc2c(SCCN(C)C)nc3ccccc3c2c2ccccc12,CHEMBL305580,5.0
+CN(C)CCSc1nc2ccccc2c2c1CCc1ccccc1-2,CHEMBL64079,5.0
+Cc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C,CHEMBL64880,8.7
+COc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL62778,7.2
+Oc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL62692,9.5
+COc1cccc2c1nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL64060,6.7
+CN(C)CCSc1nc2ccccc2c2c1COc1ccccc1-2,CHEMBL63024,5.0
+Cc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1,CHEMBL294522,8.8
+Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl,CHEMBL64489,8.5
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,9.6
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,7.9
+Nc1c(Cl)cc2c3c(cccc13)C(=O)N([C@H]1CN3CCC1CC3)C2=O,CHEMBL283483,9.1
+Nc1c(Cl)cc2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)C2=O,CHEMBL28499,8.0
+CN1CCC(N2C(=O)c3cccc4c(N)c(Cl)cc(c34)C2=O)CC1,CHEMBL27966,7.4
+CC(C)CN1CC2CC(NC(=O)c3nn(C)c4ccccc34)CC(C1)N2C,CHEMBL307589,8.5
+CN1CC2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC(C1)N2C,CHEMBL305930,9.0
+CCCN1CC2CC(NC(=O)c3nn(C)c4ccccc34)CC(C1)N2C,CHEMBL76601,8.5
+CN1C2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC1CN(C(=O)c1ccccc1)C2,CHEMBL306159,8.0
+CC(C)N1CC2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC(C1)N2C,CHEMBL80249,8.9
+CCN1CC2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC(C1)N2C,CHEMBL307194,8.6
+CN1C2CC(NC(=O)c3nn(C)c4ccccc34)CC1CN(Cc1ccccc1)C2,CHEMBL306606,9.3
+CN1C2CNCC1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2,CHEMBL79156,9.0
+CC(C)N1CC2CC(NC(=O)c3nn(C)c4ccccc34)CC(C1)N2C,CHEMBL80889,9.1
+CC(=O)N1CC2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC(C1)N2C,CHEMBL78509,8.4
+CCCCN1CC2CC(NC(=O)c3nn(C)c4ccccc34)CC(C1)N2C,CHEMBL80417,8.6
+CCN1CC2CC(NC(=O)c3nn(C)c4ccccc34)CC(C1)N2C,CHEMBL312033,8.8
+CCCCN1CC2CC(NC(=O)N3CC(C)(C)c4ccccc43)CC(C1)N2C,CHEMBL80306,7.7
+N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,CHEMBL350221,6.8
+CCCC[N+]12CCCC(C1)C(NC(=O)c1cc(Cl)c(N)cc1OC)CC2,CHEMBL156977,6.9
+CCn1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL62023,8.52
+O=C(OC1CCNCC1)n1c(=O)[nH]c2ccccc21,CHEMBL552824,7.14
+O=C(NC1CCN2CCCC1C2)n1c(=O)[nH]c2ccccc21,CHEMBL63891,7.69
+CN1CCC(NC(=O)n2c(=O)[nH]c3ccccc32)CC1,CHEMBL418673,6.36
+CN1C2CCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2,CHEMBL293239,8.77
+CN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3ccc(F)cc31)C2,CHEMBL539003,7.47
+C[N+]1(C)C2CCC1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2,CHEMBL63409,7.47
+Cc1cccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c12,CHEMBL555995,6.51
+CN1C2CCCC1CC(NC(=O)n1c(=O)n(C)c3ccccc31)C2,CHEMBL63742,9.05
+Cc1cccc2c1[nH]c(=O)n2C(=O)OC1CC2CCC(C1)N2C,CHEMBL542869,8.1
+CN1C2CCCC1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2,CHEMBL539262,8.66
+O=C(OC1CN2CCC1CC2)n1c(=O)[nH]c2ccccc21,CHEMBL554389,7.79
+CN1C2CCC1CC(OC(=O)n1c(=O)n(C)c3ccccc31)C2,CHEMBL543340,7.92
+CN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3cc(F)ccc31)C2,CHEMBL541040,7.58
+CCn1c(=O)n(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL545449,7.74
+O=C(NC1CN2CCC1CC2)n1c(=O)[nH]c2ccccc21,CHEMBL64986,8.68
+CCc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C,CHEMBL538775,6.3
+O=c1c2ccccc2ccn1[C@@H]1CN2CCC1CC2,CHEMBL540820,8.4
+O=c1c2cccc3c2c(cn1C1CN2CCC1CC2)CC3,CHEMBL545719,9.2
+O=c1c2cccc3c2c(cn1[C@@H]1CN2CCC1CC2)CCCC3,CHEMBL542903,9.4
+COc1ccc2c3c(cn(C4CN5CCC4CC5)c(=O)c13)CCC2,CHEMBL542668,6.8
+Cc1cccc2c(=O)n(C3CN4CCC3CC4)cc(C)c12,CHEMBL539020,9.0
+O=c1c2ccccc2c(-c2ccccc2)cn1[C@@H]1CN2CCC1CC2,CHEMBL540040,8.6
+Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL2093898,9.4
+CCc1cccc2c(=O)n([C@@H]3CN4CCC3CC4)ccc12,CHEMBL542900,9.7
+O=c1c2cccc3c2c(cn1[C@@H]1CN2CCC1CC2)CCC3,CHEMBL544784,9.8
+CCc1cccc2c1CCN(C1CN3CCC1CC3)C2=O,CHEMBL542904,9.7
+O=C(NC1CN2CCC1CC2)c1c2n(c3ccccc13)CCCC2,CHEMBL544785,8.6
+Cn1cc(C(=O)NC2CN3CCC2CC3)c2ccccc21,CHEMBL555199,8.7
+O=C(N[C@H]1CN2CCC1CC2)c1c2n(c3ccccc13)CCCC2,CHEMBL540823,7.9
+O=C(N[C@@H]1CN2CCC1CC2)c1cccc2c1CCCC2,CHEMBL555402,6.7
+O=c1c2cccc(Cl)c2ccn1[C@@H]1CN2CCC1CC2,CHEMBL553733,8.6
+COc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C,CHEMBL541843,6.4
+O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)CC3,CHEMBL541844,7.6
+Cc1c(C(=O)NC2CN3CCC2CC3)c2ccccc2n1C,CHEMBL538027,7.4
+COc1cccc2c1CCN(C1CN3CCC1CC3)C2=O,CHEMBL542669,9.7
+COc1ccc2c(=O)n([C@@H]3CN4CCC3CC4)cc3c2c1CCC3,CHEMBL554259,7.9
+Cc1cccc2c1CCN([C@@H]1CN3CCC1CC3)C2=O,CHEMBL555068,9.5
+Cc1cccc2c(=O)n(C3CN4CCC3CC4)ccc12,CHEMBL555038,9.2
+COc1cccc2c(=O)n(C3CC4CCC(C3)N4C)ccc12,CHEMBL540568,8.6
+Cc1ccccc1C(=O)NC1CN2CCC1CC2,CHEMBL555080,6.2
+O=C1c2ccccc2CCN1C1CN2CCC1CC2,CHEMBL539785,8.0
+O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)CCC3,CHEMBL540547,8.1
+Cc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C,CHEMBL555523,6.8
+O=C(N[C@@H]1CN2CCC1CC2)c1c2n(c3ccccc13)CCCCC2,CHEMBL315518,8.3
+CCCc1cn([C@@H]2CN3CCC2CC3)c(=O)c2ccccc12,CHEMBL555582,8.3
+O=c1c2ccccc2ccn1C1CN2CCC1CC2,CHEMBL554341,8.0
+O=C1c2cccc3c2[C@@H](CCC3)CN1C1CN2CCC1CC2,CHEMBL540057,9.5
+O=C1c2cccc3c2[C@H](CCC3)CN1[C@H]1CN2CCC1CC2,CHEMBL545717,8.6
+O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,CHEMBL1720,10.4
+O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1CN2CCC1CC2,CHEMBL543136,8.4
+COc1cccc2c(=O)n([C@@H]3CN4CCC3CC4)ccc12,CHEMBL540055,9.8
+CN1C2CCC1CC(n1cc3c4c(cccc4c1=O)CCC3)C2,CHEMBL88565,9.1
+COc1cccc2c1CCN(C1CC3CCC(C1)N3C)C2=O,CHEMBL539275,8.0
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,CHEMBL554984,5.78
+CN1CCN(c2nc3ccccc3c3c2CN(C)C3=O)CC1,CHEMBL191649,8.68
+CCN1Cc2c(N3CCN(C)CC3)nc3ccccc3c2C1=O,CHEMBL191707,8.52
+CCCN1Cc2c(N3CCN(C)CC3)nc3ccccc3c2C1=O,CHEMBL195902,8.44
+CCC(C)N1Cc2c(N3CCN(C)CC3)nc3ccccc3c2C1=O,CHEMBL364957,8.38
+CN1CCN(c2nc3ccccc3c3c2CN(Cc2ccccc2)C3=O)CC1,CHEMBL192350,8.21
+CN1CCN(c2nc3ccccc3c3c2COC3=O)CC1,CHEMBL195490,8.62
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)c1ccccc1,CHEMBL192794,9.08
+CCOC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL372262,9.37
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N1CCCC1,CHEMBL193460,8.8
+CCN(CC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL364501,9.43
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C(C)C)C(C)C,CHEMBL192611,8.66
+CCCN(CCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL191035,9.96
+CCCCN(CCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL192220,9.11
+CCCCCN(CCCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL436287,7.72
+CCCCCCN(CCCCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL191763,6.73
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1,CHEMBL191084,9.26
+C#CCN(C)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL191900,9.35
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)c1ccc(Cl)cc1,CHEMBL191458,7.89
+CN1CCN(c2nc3ccccc3c(CO)c2CO)CC1,CHEMBL364895,8.57
+CCOC(=O)c1c(N2CCN(C)CC2)nc2ccccc2c1C,CHEMBL195881,9.77
+CCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12,CHEMBL192930,9.07
+CCOC(=O)c1c(CC)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL192675,9.68
+CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)OCC,CHEMBL439857,10.1
+CCOC(=O)c1c(C)c(N2CCNCC2)nc2ccccc12,CHEMBL371144,9.25
+CCN(CC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12,CHEMBL195498,8.8
+CCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC,CHEMBL363595,9.29
+CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC,CHEMBL193318,9.04
+CCCN(CCC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12,CHEMBL192869,9.17
+CCCN(CCC)C(=O)c1c(CC)c(N2CCN(C)CC2)nc2ccccc12,CHEMBL194492,8.96
+CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CCC)CCC,CHEMBL195056,8.92
+CN1CCN(c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)CC1,CHEMBL191036,9.39
+CCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1,CHEMBL372203,8.0
+CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1,CHEMBL365180,7.85
+Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL195241,8.25
+Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21,CHEMBL383577,7.7
+O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12,CHEMBL201878,6.87
+O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccc(F)cc12,CHEMBL202122,8.0
+O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12,CHEMBL201946,8.3
+CC(C)n1c(=O)n(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21,CHEMBL201414,7.69
+COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CCN2CCC[C@@H]12,CHEMBL201621,7.29
+CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12,CHEMBL201019,7.6
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(C2)CC31,CHEMBL2448165,8.92
+O=C(NC[C@@H]1CCN2CCC[C@@H]12)c1cc(Cl)cn2ccnc12,CHEMBL202434,6.59
diff --git a/chembl_200/CHEMBL2094120.csv b/chembl_200/CHEMBL2094120.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b98c61dd3103ac8a6473336d9a9c19fafb0eb347
--- /dev/null
+++ b/chembl_200/CHEMBL2094120.csv
@@ -0,0 +1,593 @@
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CC2)cc1)CCCC3,CHEMBL446673,8.66
+O=c1c2cnc3c(c2[nH]n1-c1ccc(Cl)cc1)CCCC3,CHEMBL116842,8.905
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)F)cc1)CCCC3,CHEMBL432623,8.65
+O=C(Cc1cccnc1)N1CCC2NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C2C1,CHEMBL113698,8.27
+O=c1c2cnc3c(c2[nH]n1-c1ccc(F)cc1)CCCC3,CHEMBL117931,9.19
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)(F)F)cc1)CCCC3,CHEMBL118053,8.33
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CCC2)cc1)CCCC3,CHEMBL326560,8.59
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CN(Cc3ccncc3)CCC1N=C2,CHEMBL323805,9.25
+O=c1c2cnc3c(c2[nH]n1-c1ccccn1)CCCC3,CHEMBL324134,8.94
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CCCC1N=C2,CHEMBL117874,8.95
+O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)C1CSCCC1N=C2,CHEMBL423690,9.05
+COc1ccc(-n2[nH]c3c4c(ncc3c2=O)CCCC4)cc1,CHEMBL115736,9.21
+O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)C1COCCC1N=C2,CHEMBL114463,8.19
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CCCCCC1N=C2,CHEMBL113659,8.37
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CN(CC3CC3)CCC1N=C2,CHEMBL325158,8.13
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL53642,6.77
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1,CHEMBL445358,6.62
+c1ccc(-c2nnc3c4ccccc4c(OCc4cnccn4)nn23)cc1,CHEMBL300862,9.15
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1,CHEMBL298501,6.74
+Cc1cccc2c1c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL299642,7.46
+Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,CHEMBL911,6.419
+C=Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299802,7.96
+c1ccc(Cc2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL301336,6.72
+CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL51911,6.08
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCCC4)cc1,CHEMBL301181,7.77
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCCC4CC2)cc1,CHEMBL53587,7.92
+Clc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL55081,6.59
+COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL300018,6.92
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL299611,9.15
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL50402,8.0
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL298386,9.0
+CCCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL441978,7.28
+CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL12,7.647
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL52696,6.6
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccoc4)nn23)cc1,CHEMBL52310,7.68
+c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1,CHEMBL301063,8.59
+c1ccc(-c2nnc3c4ccccc4c(OCCc4ccccn4)nn23)cc1,CHEMBL50320,7.77
+Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12,CHEMBL300951,9.43
+c1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL50581,7.39
+c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL54211,6.14
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)nc1,CHEMBL300497,8.37
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccsc4)nn23)cc1,CHEMBL300690,6.62
+COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12,CHEMBL273456,7.39
+COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL300867,6.72
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnc4)nn23)cc1,CHEMBL299437,7.72
+CC(Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1,CHEMBL52818,6.49
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1,CHEMBL53238,9.07
+c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL297481,6.38
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL299210,9.66
+CC(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53529,7.41
+O=C1c2ccccc2C(=O)N1CCn1c(=O)c2ccccc2c(=O)n1Cc1ccccc1,CHEMBL54859,5.85
+Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL292462,8.62
+Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL441612,7.96
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncn4)nn23)cc1,CHEMBL292380,8.89
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2,CHEMBL52030,7.67
+c1ccc(-c2nnc3c4ccccc4c(OCC4CCNCC4)nn23)cc1,CHEMBL55450,7.43
+c1ccc(COc2nn3c(C4CCC4)nnc3c3ccccc23)nc1,CHEMBL298760,7.64
+Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53729,7.09
+CCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299736,7.28
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnn4)nn23)cc1,CHEMBL300615,9.43
+COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1,CHEMBL297717,6.77
+Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1,CHEMBL296383,8.51
+Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12,CHEMBL13662,5.962000000000001
+COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL52640,7.18
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncc4)nn23)cc1,CHEMBL52672,9.15
+Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL296607,8.92
+Cc1cccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL307230,7.32
+Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1,CHEMBL68684,8.897
+Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL305068,8.04
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)n4)nn23)no1,CHEMBL307111,9.1
+CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL17468,8.21
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3CC2)n1,CHEMBL303718,7.39
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1,CHEMBL306422,9.21
+Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL68712,7.643
+Cc1cccc(COc2nn3c(-c4ccoc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL62630,7.4
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1,CHEMBL69605,8.28
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.337999999999999
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1,CHEMBL68490,8.89
+Cc1csc(-c2cc(-c3cccnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL43876,8.62
+Cc1csc(-c2cc(-c3ccccc3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL45110,8.92
+Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL295027,9.4
+Cc1csc(-c2cc(-c3ccc[nH]3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL296105,8.38
+Cc1csc(-c2cc(-c3ccnnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44428,8.3
+Cc1csc(-c2cc(-c3ccccc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44533,9.4
+Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44916,8.51
+Cc1csc(-c2cc(-c3cncnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL297873,8.05
+Cc1csc(-c2cc(-c3cccn3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL47295,8.52
+Cc1csc(-c2cc(-c3ccccc3F)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL46567,8.52
+Cc1csc(-c2cc(-c3cccnn3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL297370,7.76
+Cc1csc(-c2cc(-c3c(C)noc3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44320,8.51
+Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL45198,9.3
+Cc1csc(-c2cc(-c3ccn(C)n3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL48782,7.7
+Cc1csc(-c2cc(-c3ccncn3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44963,8.07
+Cc1csc(-c2cc(-c3nccn3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44985,7.77
+Cc1csc(-c2cc(-c3ccoc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44065,8.36
+CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,CHEMBL13280,8.31
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL282623,6.24
+O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,CHEMBL287442,5.82
+O=C(C(=O)N1CCc2ccccc2C1)c1c[nH]c2ccccc12,CHEMBL29213,6.14
+CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL27794,7.02
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12,CHEMBL281480,6.49
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(C)cccc12,CHEMBL29277,6.3
+CCOC(=O)[C@@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL284418,6.6
+O=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccccc12,CHEMBL31796,7.72
+CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL286471,6.0
+CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL285328,7.64
+O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,CHEMBL282740,7.04
+O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,CHEMBL283850,6.02
+CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL28730,7.3
+CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL28782,6.17
+Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123882,7.08
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1,CHEMBL123406,7.75
+Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421257,7.16
+Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331907,7.66
+Cc1cccc(COc2nn3c(-c4ccccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331657,6.98
+Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1,CHEMBL122619,8.07
+Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,CHEMBL334246,7.71
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1,CHEMBL122154,8.8
+Cc1noc(-c2nnc3c4c(c(OCc5cccc[n+]5[O-])nn23)C2CCC4CC2)n1,CHEMBL121370,7.83
+Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421072,6.94
+Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123530,7.34
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1,CHEMBL334138,7.47
+Cc1noc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)n1,CHEMBL121277,8.38
+Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1,CHEMBL331569,8.39
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5Br)nn23)C2CCC4CC2)n1,CHEMBL121088,8.21
+Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123072,7.58
+Cc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL121603,7.97
+Cc1noc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL121275,8.41
+CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1,CHEMBL332893,7.68
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5C#N)nn23)C2CCC4CC2)n1,CHEMBL120838,8.77
+Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123471,6.64
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL35571,6.07
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL286594,7.59
+CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1,CHEMBL318873,7.8
+CCSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95541,7.82
+COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)CC(C)C3)ns1,CHEMBL98649,7.46
+CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1,CHEMBL95746,8.35
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL95188,7.23
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95724,7.38
+CCSc1ccc(-c2ncco2)c2c1C(=O)CC(C)C2,CHEMBL320395,7.8
+CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2,CHEMBL318370,7.89
+CCSc1ccc(-c2cccc[n+]2[O-])c2c1C(=O)CC(C)C2,CHEMBL100469,6.54
+CC1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1,CHEMBL95760,7.44
+CCSc1ccc(-c2nccs2)c2c1C(=O)CC(C)C2,CHEMBL95443,7.92
+Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL55565,8.46
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1,CHEMBL56098,8.39
+COc1ccc(-c2cc(-c3nc(C)ns3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL56761,7.6
+COc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59197,7.92
+COc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55570,7.22
+COc1ccc(-c2cc(-c3noc(C)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55467,6.49
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,CHEMBL56746,6.6
+COc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1,CHEMBL301010,6.07
+COc1ccc(-c2cc(-c3nccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59478,8.21
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,CHEMBL413325,7.1
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL294600,8.47
+Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL59427,8.17
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1,CHEMBL264235,8.42
+COc1ccc(-c2cc(-c3cccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55022,7.82
+COc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL53619,7.62
+COc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54422,7.92
+CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,CHEMBL17603,7.7
+CC(C)(C)OC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL307783,7.72
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL415290,8.04
+C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144849,10.4
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL59181,6.7
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2,CHEMBL267665,8.96
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(OCC)ccc1-2,CHEMBL416450,7.77
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#CC[Si](C)(C)C)cc2C1=O,CHEMBL335960,6.47
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL335888,7.01
+CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1,CHEMBL83581,6.57
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#C[Si](C)(C)C)ccc21,CHEMBL173347,6.69
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58757,7.73
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL336636,7.04
+CN1C(=O)CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21,CHEMBL170808,9.12
+CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43718,5.95
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL336728,8.0
+Clc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL439945,7.61
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1,CHEMBL3144698,9.6
+O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2N1,CHEMBL408797,7.28
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Br)cc2C1=O,CHEMBL6655,8.04
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL133705,6.91
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCC3)cc2C1=O,CHEMBL131977,6.77
+CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(CC)c3c2c1,CHEMBL314788,4.46
+c1ccc(COc2ccc3c(c2)[nH]c2c4c5ccccc5nc-4c[nH]c23)cc1,CHEMBL431973,5.52
+C#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144696,10.7
+Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,CHEMBL646,8.84
+CCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL299250,7.55
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([N-][N+]#N)ccc1-2,CHEMBL6597,8.6
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N+](=O)[O-])cc2C1=O,CHEMBL7290,7.52
+CCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL47853,4.81
+CCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL45174,5.54
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#C[Si](C)(C)C)cc2C1=O,CHEMBL300840,6.59
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1CC,CHEMBL173329,8.55
+c1ccc2c(c1)[nH]c1cnc3c(nc4ccccn43)c12,CHEMBL367639,6.55
+O=C1CN=C(c2cccs2)c2cc(F)ccc2N1,CHEMBL368130,6.39
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N=C=S)cc2C1=O,CHEMBL6814,7.3
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL339163,7.57
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL130416,7.32
+O=[N+]([O-])c1ccc2[nH]c3cnc4c5ccccc5[nH]c4c3c2c1,CHEMBL78766,6.27
+CCCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL66902,6.61
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#N)ccc1-2,CHEMBL132529,7.72
+COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144841,10.05
+COc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12,CHEMBL3144617,8.9
+O=C1CN=C(c2ccccc2)c2ccccc2N1,CHEMBL13458,6.46
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,CHEMBL407,8.97
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL173082,8.15
+Clc1cc2c3ccccc3nc-2c[nH]1,CHEMBL298561,6.9
+CCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C,CHEMBL420044,6.79
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1COC,CHEMBL176457,6.53
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL336377,7.82
+COC(=O)c1cc2c3cc(NCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL268262,7.31
+c1ccc2c(c1)=Nc1cnc3c(c1=2)=Nc1cnccc1-3,CHEMBL173938,7.52
+CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1,CHEMBL307202,8.94
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc1-2,CHEMBL341398,8.17
+CCCOc1ccc2[nH]c3cnc(C(=O)NN)c(COC)c3c2c1,CHEMBL368179,6.4
+COC(=O)c1cc2c3cc(NC4CCCCC4)ccc3nc-2c[nH]1,CHEMBL177076,7.84
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(O)cc2C1=O,CHEMBL130609,9.28
+CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c-2c1COC,CHEMBL10195,7.97
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N-][N+]#N)cc2C1=O,CHEMBL6421,8.13
+CCOC(=O)c1[nH]cc2nc3ccccc3c-2c1COC,CHEMBL10534,8.315
+CCCOc1ccc2[nH]c3cnc(N)c(COC)c3c2c1,CHEMBL84921,6.15
+CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC,CHEMBL1518572,8.22
+c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,CHEMBL301605,8.96
+O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1,CHEMBL3144615,9.92
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21,CHEMBL275115,6.46
+CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL10597,6.55
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1COC,CHEMBL10483,8.76
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2,CHEMBL366947,9.7
+CCCC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL69719,7.68
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C,CHEMBL174535,7.32
+COC(=O)c1cc2c3cc(NCc4ccc5ccccc5c4)ccc3nc-2c[nH]1,CHEMBL368171,6.57
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL415293,7.54
+CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21,CHEMBL368768,7.51
+C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL133272,8.16
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC,CHEMBL273464,7.23
+COc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL141039,7.96
+C[Si](C)(C)C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144795,8.33
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL339172,6.74
+COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12,CHEMBL454095,8.12
+COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL172839,7.23
+C=C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL57655,8.385
+Fc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL79945,7.74
+CN1C(=O)CN=C(c2cccs2)c2cc(F)ccc21,CHEMBL369358,6.69
+CCOC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL11709,8.24
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL129855,7.1
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL337166,7.04
+CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58570,7.6
+CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C,CHEMBL46957,5.2
+CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1,CHEMBL49141,8.66
+c1cnc2c(c1)-c1ncc3c(c1=N2)=c1ccccc1=N3,CHEMBL173193,7.79
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccccc1,CHEMBL19732,9.92
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(CC)ccc1-2,CHEMBL58385,7.58
+CCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43724,5.56
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1CC,CHEMBL435550,6.52
+COc1ccc(-n2[nH]c3c(cnc4cc(OC)ccc43)c2=O)cc1,CHEMBL3144610,9.1
+CCc1c(C(=O)NN)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL173087,6.24
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL133112,6.99
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL134175,7.07
+CC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43725,4.66
+COC(=O)c1cc2c3cc(SC#N)ccc3nc-2c[nH]1,CHEMBL173219,7.52
+O=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccccc1,CHEMBL3144697,10.3
+CCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL52750,7.16
+S=C=Nc1cc2c3ccccc3nc-2c[nH]1,CHEMBL53651,6.85
+COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL133049,8.13
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N(C)C)cc2C1=O,CHEMBL339165,7.42
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCCC3)cc2C1=O,CHEMBL340546,6.83
+CN1Cc2c(C(=O)OCC3CC3)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL6440,7.37
+CC(C)COc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269093,6.86
+c1cnc2c(c1)N=c1c-2ncc2c1=c1ccccc1=N2,CHEMBL172866,6.81
+COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1,CHEMBL3144753,9.7
+CN1C(=O)CN=C(c2ccccc2)c2ccccc21,CHEMBL73096,6.5
+CC#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL59180,7.78
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Br)ccc1-2,CHEMBL133219,7.89
+CN1C(=O)CN=C(c2cccs2)c2cc(Cl)ccc21,CHEMBL173339,7.87
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(I)cc2C1=O,CHEMBL6659,7.96
+CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC,CHEMBL85861,8.4
+COc1ccc(-c2cc(-c3ncc(C)s3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL299061,6.6
+COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,CHEMBL58927,6.57
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,CHEMBL301195,6.68
+COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,CHEMBL298732,6.57
+COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54368,7.64
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccn2)n(C)c1=O,CHEMBL54507,6.29
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O,CHEMBL291335,7.14
+CC(C)Oc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70526,7.16
+CSc1sc(-c2nccs2)c2c1C(=O)CC(C)(C)C2,CHEMBL277504,7.33
+CSc1sc(-c2ccncc2)c2c1C(=O)CC(C)(C)C2,CHEMBL276508,7.46
+CC1(C)CC(=O)c2c(SCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL17466,7.62
+CCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL72914,6.62
+CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1,CHEMBL17547,8.0
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL308077,7.39
+CSc1sc(-c2ncn(C)n2)c2c1C(=O)CC(C)(C)C2,CHEMBL432542,6.99
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL274281,7.8
+CSc1sc(-c2cccnc2)c2c1C(=O)CC(C)(C)C2,CHEMBL17574,7.48
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CHEMBL420929,7.32
+CCCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70812,6.74
+CSc1sc(-c2nc(C)no2)c2c1C(=O)CC(C)(C)C2,CHEMBL72357,6.73
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL17354,7.68
+CSc1sc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL17698,7.6
+CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL69946,7.74
+CC(C)Nc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL312118,7.06
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL302979,7.3
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,CHEMBL73486,7.55
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL308481,7.32
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL275645,8.15
+CSc1sc(-c2cncs2)c2c1C(=O)CC(C)(C)C2,CHEMBL73052,6.8
+CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL17424,7.32
+COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL83464,7.23
+CCC(C)Oc1cc2c3ccccc3nc-2c[nH]1,CHEMBL86231,6.06
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1CC,CHEMBL87437,6.52
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1COC,CHEMBL87538,6.53
+CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,CHEMBL359613,7.39
+OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179545,6.77
+OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178992,7.72
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178942,7.937
+c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,CHEMBL178856,7.72
+Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL362282,8.64
+COc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL362869,7.54
+COc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178830,7.28
+Cc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178508,6.55
+Cc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL179000,6.85
+Cc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL427313,7.49
+c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL361340,8.17
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366537,8.37
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1,CHEMBL361015,8.11
+CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360122,9.0
+Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178831,8.21
+Fc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179048,6.24
+c1ccc(COc2nn3c(-c4cccnc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL361105,7.42
+c1ccc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL368905,6.82
+c1ccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL360966,7.42
+c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL361114,8.7
+Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366471,7.74
+c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,CHEMBL179699,7.74
+c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,CHEMBL360912,8.0
+c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL426234,7.28
+Cc1csc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL179430,7.0
+c1ccc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178738,7.74
+c1ccc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)cc1,CHEMBL362421,7.6
+Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178242,7.52
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,CHEMBL362620,7.62
+Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359545,7.92
+c1ccc(-c2nnc3c4c(c(OCc5nc6ccccc6s5)nn23)C2CCC4CC2)cc1,CHEMBL179664,6.6
+Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1,CHEMBL361561,7.0
+Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178837,7.29
+c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,CHEMBL179700,7.89
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179474,8.68
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360733,7.74
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178710,7.82
+Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,CHEMBL179513,7.18
+c1ccc(-c2nnc3c4c(c(OCc5nnc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL359650,7.72
+Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL366468,8.1
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179712,8.55
+CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL362485,8.62
+Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL369035,8.44
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,CHEMBL178677,9.15
+CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL179924,7.4
+CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL361129,8.85
+Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL440558,7.68
+Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL175929,7.43
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,CHEMBL361786,8.77
+N#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179475,8.77
+COC(=O)c1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359906,8.15
+Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178632,6.74
+COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL180416,8.62
+CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179414,8.96
+COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL175475,8.41
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,CHEMBL179558,8.64
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,CHEMBL180464,7.42
+c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL360311,7.7
+c1ccc(-c2nnc3c4c(c(OCc5cccnn5)nn23)C2CCC4CC2)cc1,CHEMBL180174,8.07
+c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,CHEMBL361597,7.48
+c1ccc(-c2nnc3c4c(c(OCc5ccncn5)nn23)C2CCC4CC2)cc1,CHEMBL179777,8.51
+c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1,CHEMBL178956,8.52
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL175886,8.0
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL362409,7.64
+c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,CHEMBL178783,8.35
+c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL178188,7.11
+c1ccc(-c2nnc3c4c(c(OCc5cnc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL361200,7.59
+c1ccc(-c2nnc3c4c(c(OCCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179810,6.7
+Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL180417,6.62
+CCO[n+]1ccccc1Oc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359616,6.26
+c1ccc(-c2nnc3c4c(c(COc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL180224,6.92
+O=C(Nc1ccccn1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360345,6.77
+N#Cc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179509,7.28
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL434138,7.18
+N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179769,7.15
+OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360113,7.37
+OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179737,7.36
+CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL178670,7.62
+CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL178840,7.51
+CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,CHEMBL180215,6.34
+O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,CHEMBL362014,6.59
+CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360036,7.05
+O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,CHEMBL178303,7.3
+Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,CHEMBL363211,9.11
+COC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1,CHEMBL364740,7.19
+c1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL194198,7.35
+N#Cc1ccccc1-c1cnnc(-c2ccccc2)c1,CHEMBL198306,6.36
+N#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL198358,7.09
+N#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL198509,7.85
+Brc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL197302,7.82
+CC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL196982,7.57
+COC(=O)c1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL197559,7.54
+COC(=O)c1sccc1-c1cnnc(-c2ccccc2)c1,CHEMBL364564,7.35
+c1ccc(-c2cc(-c3cccc(-n4cnnc4)c3)cnn2)cc1,CHEMBL194513,7.39
+Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL370718,7.98
+c1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1,CHEMBL364505,8.51
+N#Cc1cccc(-c2cnnc(-c3ccccc3F)c2)c1,CHEMBL196250,8.1
+N#Cc1cccc(-c2cnnc(-c3cccc(F)c3)c2)c1,CHEMBL197683,8.14
+N#Cc1cccc(-c2cnnc(-c3ccc(F)cc3)c2)c1,CHEMBL196905,7.59
+N#Cc1cccc(-c2cnnc(-c3ccc(F)cc3F)c2)c1,CHEMBL373213,7.64
+N#Cc1cccc(-c2cnnc(-c3ccc(F)c(F)c3)c2)c1,CHEMBL381670,7.39
+COc1cc(-c2cccc(Br)c2)cnn1,CHEMBL371647,6.69
+CCOc1cc(-c2cccc(Br)c2)cnn1,CHEMBL196675,7.72
+CC(C)Oc1cc(-c2cccc(Br)c2)cnn1,CHEMBL383788,7.22
+Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,CHEMBL199169,6.52
+N#Cc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,CHEMBL199170,7.22
+CCOc1cc(-c2cccc(C#N)c2)cnn1,CHEMBL370211,7.14
+CNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372302,6.95
+CN(C)c1cc(-c2cccc(Br)c2)cnn1,CHEMBL371717,6.92
+CCNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL197883,8.14
+CC(C)Nc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372340,7.66
+CCNc1cc(-c2cccc(C#N)c2)cnn1,CHEMBL199138,7.1
+Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,CHEMBL197821,7.29
+N#Cc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,CHEMBL198203,7.82
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,CHEMBL373250,9.15
+CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,CHEMBL200177,9.61
+CCO/N=C(\C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1,CHEMBL381625,7.965
+Cc1ccn2c(-c3cccc(-c4cccnc4)c3)cnc2c1,CHEMBL381987,7.8
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL199411,8.44
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL199957,9.43
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL199689,9.48
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,CHEMBL199690,8.59
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL381380,9.47
+N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL383626,7.85
+N#Cc1c(F)cccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL201559,8.12
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL369902,9.14
+N#Cc1ccc(F)cc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL202768,9.21
+N#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL382412,9.42
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL436768,8.89
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL201472,8.4
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1,CHEMBL204696,8.76
+Fc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL445401,7.85
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL204400,8.66
+COc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL379467,8.21
+N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL380945,8.85
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL204041,8.54
+FC(F)(F)c1ccn2c(-c3ccnc(Cl)n3)cnc2n1,CHEMBL204390,8.7
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL203591,9.34
+COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL383106,8.77
+FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL203769,9.06
+FC(F)(F)c1ccn2c(-c3cccc(Br)n3)cnc2n1,CHEMBL203768,9.17
+FC(F)(F)c1ccn2c(-c3ccccn3)cnc2n1,CHEMBL380715,7.96
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1,CHEMBL380730,8.48
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL203455,8.97
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203785,8.02
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL203897,8.35
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203781,8.47
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL203732,8.56
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204156,9.28
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL437877,8.79
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL383677,9.55
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203437,8.44
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL382005,8.42
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203315,9.38
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL204004,8.71
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204003,8.65
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1,CHEMBL206196,8.29
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2n1,CHEMBL382173,9.33
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1F,CHEMBL202952,9.49
+CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL206587,9.05
+Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,CHEMBL206380,9.23
+Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203211,8.72
+Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,CHEMBL202696,9.15
+CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203877,8.47
+Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL205205,8.33
+Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203186,8.34
+Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)cc1,CHEMBL207892,8.25
+Fc1cnc(-c2cc(-c3cnnc(-c4ncccc4F)c3)ccc2F)c(F)c1,CHEMBL206669,8.77
+Fc1ccc(-c2cnnc(-c3ncccc3F)c2)cc1-c1ncccc1F,CHEMBL206620,8.85
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1,CHEMBL203896,8.3
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL202789,8.07
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1,CHEMBL204577,8.7
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1,CHEMBL383303,8.2
+Fc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F,CHEMBL207840,8.49
+Fc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1,CHEMBL203392,8.09
+Fc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1,CHEMBL425934,8.25
+Fc1ccc(-c2cnnc(-c3c(F)cccc3F)c2)cc1-c1ncccc1F,CHEMBL203286,9.4
+Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL382356,8.51
+Fc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1,CHEMBL206818,8.77
+Fc1ccccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1,CHEMBL206479,9.05
+Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F,CHEMBL208794,9.44
+Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1,CHEMBL379996,8.8
+Cn1ncnc1COc1nn2c(-c3ccoc3)nncc2c1-c1ccccc1F,CHEMBL208940,9.21
+Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F,CHEMBL378217,9.07
+Cn1ncnc1COc1nn2c(-[n+]3ccncc3)nncc2c1-c1ccccc1F,CHEMBL212637,8.57
+Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F,CHEMBL210400,8.96
+Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F,CHEMBL377533,7.68
+Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F,CHEMBL208863,8.59
+Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F,CHEMBL211506,8.57
+Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F,CHEMBL212323,9.28
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F,CHEMBL212273,8.89
+Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F,CHEMBL376975,8.7
+Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F,CHEMBL211293,9.03
+Cn1ncnc1COc1nn2c(-c3cccc(F)c3)nncc2c1-c1ccccc1F,CHEMBL212158,8.92
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccncc1,CHEMBL212008,9.85
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccnc1,CHEMBL377187,9.01
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccn1,CHEMBL208998,8.85
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1,CHEMBL380110,9.96
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccsc1,CHEMBL378761,10.0
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccs1,CHEMBL211704,10.0
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F,CHEMBL379973,9.26
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F,CHEMBL377556,9.7
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F,CHEMBL211286,8.82
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1,CHEMBL426860,8.2
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1,CHEMBL379788,7.85
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(CO)c1,CHEMBL210769,8.18
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1,CHEMBL208844,9.27
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1,CHEMBL208687,8.8
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1,CHEMBL379317,8.96
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1,CHEMBL209556,9.55
+Cc1ccccc1-c1c(OCc2ncnn2C)nn2c(-c3ccccc3F)nncc12,CHEMBL378216,7.64
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1Cl,CHEMBL212052,8.06
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1F,CHEMBL210510,9.35
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,CHEMBL382198,9.11
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CHEMBL225631,9.85
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,CHEMBL375742,9.77
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CHEMBL224561,9.47
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,CHEMBL224608,8.32
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,CHEMBL224175,8.92
+c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,CHEMBL224134,8.74
+Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1077381,6.58
+Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1077391,7.85
+Cc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078580,6.88
+Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078985,8.06
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1080412,7.32
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1080588,7.1
+Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2,CHEMBL1080575,6.29
+Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2,CHEMBL1080398,6.39
+Cc1noc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)n1,CHEMBL1081861,6.56
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1,CHEMBL1080576,7.14
+COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1080397,6.23
+Cc1ncn2c1Cn1nc(C(C)(C)C)nc1-c1cc(Br)ccc1-2,CHEMBL1080396,5.92
+Cc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1079272,5.79
+CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C,CHEMBL1271047,6.86
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269930,6.91
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1270037,7.44
+C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1,CHEMBL1270038,6.99
+CC(C)(C)OC(=O)c1ccc2[nH]c3ccc(C#Cc4ccc5[nH]c6ccc(C(=O)OC(C)(C)C)cc6c5c4)cc3c2c1,CHEMBL1269785,7.0
+C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1270143,7.06
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1269816,8.25
+C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1269929,7.37
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270144,7.33
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269786,7.47
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270247,6.88
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270248,7.56
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270347,6.93
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270348,6.5
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270442,7.14
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270443,7.35
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270538,6.9
+CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1269058,7.4
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C(C)(C)C)cc12,CHEMBL1270539,7.61
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1270540,7.83
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269059,7.0
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269060,5.4
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270637,7.38
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270638,7.49
+O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270639,7.37
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl,CHEMBL1270739,5.7
+CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269061,6.94
+CCC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270740,6.0
+O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270741,7.35
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1,CHEMBL1270841,6.0
+CC/C=C/C=C/Oc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269094,6.07
+C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270843,6.76
+C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270943,6.34
+CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269148,7.06
+CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269149,7.37
+Cc1ccc2nc(=O)n3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL1644823,8.89
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccccc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644825,8.01
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccsc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644826,9.15
+Cc1ccc(-n2[nH]c3c4cc(CCc5cccnc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644828,8.64
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL2261632,7.89
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261631,7.28
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261633,7.19
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261634,6.77
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261915,6.61
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2,CHEMBL2261916,7.23
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3cccs3)ccc1-2,CHEMBL2261917,6.91
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261918,7.81
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL2261919,7.59
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261922,7.31
diff --git a/chembl_200/CHEMBL2094121.csv b/chembl_200/CHEMBL2094121.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d16652535d477b30ce54cd3fc4145056edda3649
--- /dev/null
+++ b/chembl_200/CHEMBL2094121.csv
@@ -0,0 +1,553 @@
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3CC2)n1,CHEMBL303718,6.55
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL299611,8.57
+CC(Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1,CHEMBL52818,6.02
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL53642,6.14
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1,CHEMBL445358,6.62
+c1ccc(-c2nnc3c4ccccc4c(OCc4cnccn4)nn23)cc1,CHEMBL300862,8.7
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1,CHEMBL298501,6.6
+Cc1cccc2c1c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL299642,7.25
+Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,CHEMBL911,7.529
+C=Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299802,7.31
+c1ccc(Cc2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL301336,6.59
+CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL51911,6.85
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCCC4)cc1,CHEMBL301181,7.39
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCCC4CC2)cc1,CHEMBL53587,7.15
+COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL300018,6.85
+CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL297958,6.3
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL50402,7.74
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL298386,8.62
+CCCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL441978,6.8
+CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL12,7.866
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL52696,6.32
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccoc4)nn23)cc1,CHEMBL52310,7.59
+c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1,CHEMBL301063,7.8
+c1ccc(-c2nnc3c4ccccc4c(OCCc4ccccn4)nn23)cc1,CHEMBL50320,7.74
+Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12,CHEMBL300951,8.92
+c1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL50581,6.55
+c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL54211,6.42
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)nc1,CHEMBL300497,8.32
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccsc4)nn23)cc1,CHEMBL300690,6.15
+COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12,CHEMBL273456,7.42
+COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL300867,6.7
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnc4)nn23)cc1,CHEMBL299437,7.72
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1,CHEMBL53238,8.37
+c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL297481,6.52
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL299210,9.29
+CC(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53529,6.8
+O=C1c2ccccc2C(=O)N1CCn1c(=O)c2ccccc2c(=O)n1Cc1ccccc1,CHEMBL54859,5.19
+Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL292462,8.41
+Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL441612,7.74
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncn4)nn23)cc1,CHEMBL292380,8.64
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2,CHEMBL52030,7.318
+c1ccc(-c2nnc3c4ccccc4c(OCC4CCNCC4)nn23)cc1,CHEMBL55450,7.49
+c1ccc(COc2nn3c(C4CCC4)nnc3c3ccccc23)nc1,CHEMBL298760,7.25
+Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53729,6.05
+CCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299736,6.6
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnn4)nn23)cc1,CHEMBL300615,9.09
+COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1,CHEMBL297717,5.85
+Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1,CHEMBL296383,7.49
+Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12,CHEMBL13662,7.228
+COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL52640,6.1
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncc4)nn23)cc1,CHEMBL52672,7.62
+Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL296607,8.66
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#C[Si](C)(C)C)cc2C1=O,CHEMBL300840,6.71
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL286594,7.55
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL59181,6.92
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58757,7.57
+CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL309267,6.81
+Cc1cccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL307230,6.57
+Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1,CHEMBL68684,8.9
+Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL305068,7.125
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)n4)nn23)no1,CHEMBL307111,8.89
+CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL17468,8.065
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1,CHEMBL306422,9.06
+Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL68712,6.827000000000001
+Cc1cccc(COc2nn3c(-c4ccoc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL62630,6.6
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1,CHEMBL69605,8.38
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.2
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1,CHEMBL68490,9.06
+Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL295027,9.7
+Cc1csc(-c2cc(-c3nccn3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44985,7.84
+Cc1csc(-c2cc(-c3cccnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL43876,8.28
+Cc1csc(-c2cc(-c3ccccc3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL45110,8.82
+Cc1csc(-c2cc(-c3ccc[nH]3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL296105,8.11
+Cc1csc(-c2cc(-c3ccnnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44428,8.08
+Cc1csc(-c2cc(-c3ccccc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44533,9.15
+Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44916,8.27
+Cc1csc(-c2cc(-c3cncnc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL297873,7.68
+Cc1csc(-c2cc(-c3cccn3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL47295,8.4
+Cc1csc(-c2cc(-c3ccccc3F)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL46567,8.3
+Cc1csc(-c2cc(-c3cccnn3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL297370,7.58
+Cc1csc(-c2cc(-c3c(C)noc3C)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44320,8.34
+Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL45198,8.89
+Cc1csc(-c2cc(-c3ccn(C)n3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL48782,8.0
+Cc1csc(-c2cc(-c3ccncn3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44963,7.91
+Cc1csc(-c2cc(-c3ccoc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL44065,8.41
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1,CHEMBL123406,7.24
+Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331907,6.94
+Cc1cccc(COc2nn3c(-c4ccccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331657,6.29
+Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1,CHEMBL122619,7.31
+Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,CHEMBL334246,6.8
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1,CHEMBL122154,8.38
+Cc1noc(-c2nnc3c4c(c(OCc5cccc[n+]5[O-])nn23)C2CCC4CC2)n1,CHEMBL121370,7.13
+Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421072,6.0
+Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123530,6.55
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1,CHEMBL334138,6.83
+Cc1noc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)n1,CHEMBL121277,7.57
+Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1,CHEMBL331569,7.37
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5Br)nn23)C2CCC4CC2)n1,CHEMBL121088,7.23
+Cc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL121603,7.08
+Cc1noc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL121275,7.55
+CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1,CHEMBL332893,6.77
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5C#N)nn23)C2CCC4CC2)n1,CHEMBL120838,7.76
+CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1,CHEMBL318873,7.42
+CCSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95541,7.6
+COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)CC(C)C3)ns1,CHEMBL98649,7.4
+CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1,CHEMBL95746,8.64
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL95188,6.64
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95724,7.2
+CCSc1ccc(-c2ncco2)c2c1C(=O)CC(C)C2,CHEMBL320395,7.43
+CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2,CHEMBL318370,7.96
+CC1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1,CHEMBL95760,7.04
+CCSc1ccc(-c2nccs2)c2c1C(=O)CC(C)C2,CHEMBL95443,8.27
+COc1ccc(-c2cc(-c3cccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55022,7.52
+Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL55565,7.89
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1,CHEMBL56098,7.77
+COc1ccc(-c2cc(-c3nc(C)ns3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL56761,7.05
+COc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55570,6.51
+COc1ccc(-c2cc(-c3noc(C)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55467,6.59
+COc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1,CHEMBL301010,5.15
+COc1ccc(-c2cc(-c3nccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59478,7.35
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,CHEMBL413325,5.99
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL294600,7.77
+Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL59427,7.62
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1,CHEMBL264235,7.89
+COc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL53619,7.08
+COc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54422,7.51
+CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,CHEMBL17603,7.7
+CC(C)(C)OC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL307783,9.14
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL415290,8.17
+C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144849,10.15
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2,CHEMBL267665,8.92
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(OCC)ccc1-2,CHEMBL416450,7.95
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#CC[Si](C)(C)C)cc2C1=O,CHEMBL335960,6.56
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL335888,7.14
+CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1,CHEMBL83581,7.61
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#C[Si](C)(C)C)ccc21,CHEMBL173347,7.03
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL336636,7.05
+CN1C(=O)CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21,CHEMBL170808,9.31
+CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43718,6.39
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL336728,7.68
+Clc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL439945,8.41
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1,CHEMBL3144698,9.74
+O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2N1,CHEMBL408797,7.8
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Br)cc2C1=O,CHEMBL6655,7.94
+CC(C)CCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL87641,6.46
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL133705,6.81
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCC3)cc2C1=O,CHEMBL131977,8.24
+c1ccc(COc2cc3c4ccccc4nc-3c[nH]2)cc1,CHEMBL87331,6.08
+CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(CC)c3c2c1,CHEMBL314788,5.44
+c1ccc(COc2ccc3c(c2)[nH]c2c4c5ccccc5nc-4c[nH]c23)cc1,CHEMBL431973,6.36
+C#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144696,10.1
+Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,CHEMBL646,9.1
+CCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL299250,8.19
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N+](=O)[O-])cc2C1=O,CHEMBL7290,7.89
+CCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL47853,5.02
+CCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL45174,5.69
+CC(C)Oc1cc2c3ccccc3nc-2c[nH]1,CHEMBL67421,6.55
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1CC,CHEMBL173329,8.8
+c1ccc2c(c1)[nH]c1cnc3c(nc4ccccn43)c12,CHEMBL367639,6.98
+O=C1CN=C(c2cccs2)c2cc(F)ccc2N1,CHEMBL368130,6.76
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N=C=S)cc2C1=O,CHEMBL6814,7.77
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL339163,7.23
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL130416,7.08
+O=[N+]([O-])c1ccc2[nH]c3cnc4c5ccccc5[nH]c4c3c2c1,CHEMBL78766,6.61
+CCCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL66902,7.43
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#N)ccc1-2,CHEMBL132529,8.0
+COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144841,9.96
+COc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12,CHEMBL3144617,8.87
+O=C1CN=C(c2ccccc2)c2ccccc2N1,CHEMBL13458,6.54
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,CHEMBL407,9.1
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL173082,8.14
+Clc1cc2c3ccccc3nc-2c[nH]1,CHEMBL298561,7.22
+CCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C,CHEMBL420044,7.59
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1COC,CHEMBL176457,7.81
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL336377,7.31
+COC(=O)c1cc2c3cc(NCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL268262,8.27
+c1ccc2c(c1)=Nc1cnc3c(c1=2)=Nc1cnccc1-3,CHEMBL173938,8.52
+CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1,CHEMBL307202,9.4
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc1-2,CHEMBL341398,7.77
+CCCOc1ccc2[nH]c3cnc(C(=O)NN)c(COC)c3c2c1,CHEMBL368179,7.34
+COC(=O)c1cc2c3cc(NC4CCCCC4)ccc3nc-2c[nH]1,CHEMBL177076,8.62
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(O)cc2C1=O,CHEMBL130609,8.82
+CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c-2c1COC,CHEMBL10195,8.7
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N-][N+]#N)cc2C1=O,CHEMBL6421,8.14
+CCOC(=O)c1[nH]cc2nc3ccccc3c-2c1COC,CHEMBL10534,9.21
+CCCOc1ccc2[nH]c3cnc(N)c(COC)c3c2c1,CHEMBL84921,7.35
+CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC,CHEMBL1518572,8.39
+c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,CHEMBL301605,8.96
+O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1,CHEMBL3144615,9.64
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21,CHEMBL275115,6.49
+CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL10597,8.14
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1COC,CHEMBL10483,9.85
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2,CHEMBL366947,9.46
+CCCC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL69719,8.68
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C,CHEMBL174535,7.12
+COC(=O)c1cc2c3cc(NCc4ccc5ccccc5c4)ccc3nc-2c[nH]1,CHEMBL368171,7.51
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL415293,7.76
+CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21,CHEMBL368768,8.03
+C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL133272,8.08
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC,CHEMBL273464,7.68
+COc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL141039,8.47
+C[Si](C)(C)C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144795,8.52
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL339172,6.66
+COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12,CHEMBL454095,7.91
+COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL172839,7.6
+C=C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL57655,8.43
+Fc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL79945,8.29
+CN1C(=O)CN=C(c2cccs2)c2cc(F)ccc21,CHEMBL369358,6.85
+CCOC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL11709,8.92
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL129855,6.7
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL337166,7.72
+CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58570,7.83
+CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C,CHEMBL46957,5.38
+CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1,CHEMBL49141,9.31
+c1cnc2c(c1)-c1ncc3c(c1=N2)=c1ccccc1=N3,CHEMBL173193,8.66
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccccc1,CHEMBL19732,10.3
+CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,CHEMBL13280,8.66
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(CC)ccc1-2,CHEMBL58385,7.69
+CCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43724,5.8
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1CC,CHEMBL435550,6.74
+COc1ccc(-n2[nH]c3c(cnc4cc(OC)ccc43)c2=O)cc1,CHEMBL3144610,9.47
+CCc1c(C(=O)NN)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL173087,6.05
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL133112,6.55
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL134175,7.07
+CC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43725,4.76
+COC(=O)c1cc2c3cc(SC#N)ccc3nc-2c[nH]1,CHEMBL173219,8.47
+O=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccccc1,CHEMBL3144697,10.22
+CCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL52750,8.28
+N#CSc1ccc2[nH]c3cnc(SC#N)cc3c2c1,CHEMBL175427,7.87
+S=C=Nc1cc2c3ccccc3nc-2c[nH]1,CHEMBL53651,7.17
+COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL133049,8.17
+O=[N+]([O-])c1ccc2[nH]c3cnc([N+](=O)[O-])cc3c2c1,CHEMBL173325,7.89
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N(C)C)cc2C1=O,CHEMBL339165,7.88
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCCC3)cc2C1=O,CHEMBL340546,8.19
+CN1Cc2c(C(=O)OCC3CC3)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL6440,7.79
+CC(C)COc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269093,7.6
+c1cnc2c(c1)N=c1c-2ncc2c1=c1ccccc1=N2,CHEMBL172866,7.55
+COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1,CHEMBL3144753,9.7
+CN1C(=O)CN=C(c2ccccc2)c2ccccc21,CHEMBL73096,7.09
+CC#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL59180,8.0
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Br)ccc1-2,CHEMBL133219,7.59
+CN1C(=O)CN=C(c2cccs2)c2cc(Cl)ccc21,CHEMBL173339,7.72
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(I)cc2C1=O,CHEMBL6659,8.01
+CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC,CHEMBL85861,8.21
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,CHEMBL301195,6.2
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O,CHEMBL291335,6.17
+COc1ccc(-c2cc(-c3ncc(C)s3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL299061,6.48
+COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,CHEMBL58927,6.28
+COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,CHEMBL298732,6.2
+COc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59197,7.41
+COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54368,7.39
+CC(C)Oc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70526,6.92
+CSc1sc(-c2nccs2)c2c1C(=O)CC(C)(C)C2,CHEMBL277504,7.21
+CSc1sc(-c2ccncc2)c2c1C(=O)CC(C)(C)C2,CHEMBL276508,6.76
+CC1(C)CC(=O)c2c(SCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL17466,7.51
+CCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL72914,6.68
+CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1,CHEMBL17547,8.44
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL308077,7.66
+CSc1sc(-c2ncn(C)n2)c2c1C(=O)CC(C)(C)C2,CHEMBL432542,6.57
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL274281,7.92
+CSc1sc(-c2cccnc2)c2c1C(=O)CC(C)(C)C2,CHEMBL17574,6.78
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CHEMBL420929,7.1
+CCCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70812,7.24
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL17354,7.18
+CSc1sc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL17698,7.35
+CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL69946,8.0
+CC(C)Nc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL312118,7.14
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL302979,7.22
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,CHEMBL73486,7.62
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL308481,8.37
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL275645,8.3
+CSc1sc(-c2cncs2)c2c1C(=O)CC(C)(C)C2,CHEMBL73052,6.76
+CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL17424,8.37
+COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL83464,7.6
+CCC(C)Oc1cc2c3ccccc3nc-2c[nH]1,CHEMBL86231,6.61
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1CC,CHEMBL87437,6.74
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1COC,CHEMBL87538,7.81
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CC2)cc1)CCCC3,CHEMBL446673,8.95
+O=c1c2cnc3c(c2[nH]n1-c1ccc(Cl)cc1)CCCC3,CHEMBL116842,9.63
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)F)cc1)CCCC3,CHEMBL432623,9.0
+O=C(Cc1cccnc1)N1CCC2NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C2C1,CHEMBL113698,8.5
+O=c1c2cnc3c(c2[nH]n1-c1ccc(F)cc1)CCCC3,CHEMBL117931,9.54
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)(F)F)cc1)CCCC3,CHEMBL118053,8.13
+O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CCC2)cc1)CCCC3,CHEMBL326560,8.89
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CN(Cc3ccncc3)CCC1N=C2,CHEMBL323805,9.74
+O=c1c2cnc3c(c2[nH]n1-c1ccccn1)CCCC3,CHEMBL324134,9.24
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CCCC1N=C2,CHEMBL117874,9.36
+O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)C1CSCCC1N=C2,CHEMBL423690,9.42
+COc1ccc(-n2[nH]c3c4c(ncc3c2=O)CCCC4)cc1,CHEMBL115736,9.51
+O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)C1COCCC1N=C2,CHEMBL114463,8.81
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CCCCCC1N=C2,CHEMBL113659,8.97
+O=c1c2c([nH]n1-c1ccc(Cl)cc1)C1CN(CC3CC3)CCC1N=C2,CHEMBL325158,9.35
+OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179545,6.19
+OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178992,7.15
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178942,7.183
+COc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL362869,6.85
+c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,CHEMBL178856,6.89
+Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL362282,7.64
+COc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178830,6.64
+Cc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL179000,6.24
+Cc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL427313,6.51
+c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL361340,7.28
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366537,7.72
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1,CHEMBL361015,7.07
+CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360122,8.48
+Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178831,7.55
+Fc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179048,6.51
+c1ccc(COc2nn3c(-c4cccnc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL361105,6.59
+c1ccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL360966,6.89
+c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL361114,9.09
+Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366471,7.1
+c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,CHEMBL179699,7.0
+c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,CHEMBL360912,7.17
+c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL426234,6.57
+c1ccc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178738,6.89
+c1ccc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)cc1,CHEMBL362421,6.82
+c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,CHEMBL179700,6.85
+Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178242,6.85
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,CHEMBL362620,7.0
+Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359545,7.46
+Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1,CHEMBL361561,6.68
+Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178837,6.54
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179474,8.01
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360733,7.03
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178710,7.25
+Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,CHEMBL179513,6.85
+c1ccc(-c2nnc3c4c(c(OCc5nnc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL359650,7.37
+Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL366468,7.51
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179712,7.96
+CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL179924,7.11
+CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL362485,8.46
+Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL369035,7.57
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,CHEMBL178677,8.47
+CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL361129,9.05
+Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL440558,7.11
+Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL175929,7.22
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,CHEMBL361786,7.96
+N#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179475,7.89
+COC(=O)c1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359906,7.68
+Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178632,6.57
+COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL180416,7.77
+CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179414,8.41
+COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL175475,7.89
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,CHEMBL179558,8.16
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,CHEMBL180464,7.49
+c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL360311,6.8
+c1ccc(-c2nnc3c4c(c(OCc5cccnn5)nn23)C2CCC4CC2)cc1,CHEMBL180174,7.48
+c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,CHEMBL361597,7.06
+c1ccc(-c2nnc3c4c(c(OCc5ccncn5)nn23)C2CCC4CC2)cc1,CHEMBL179777,7.66
+c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1,CHEMBL178956,7.8
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL175886,7.3
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL362409,7.14
+c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,CHEMBL178783,7.54
+c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL178188,6.32
+c1ccc(-c2nnc3c4c(c(OCc5cnc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL361200,7.09
+c1ccc(-c2nnc3c4c(c(OCCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179810,6.32
+Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL180417,7.12
+c1ccc(-c2nnc3c4c(c(COc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL180224,6.36
+N#Cc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179509,6.72
+N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179769,6.51
+OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360113,6.31
+OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179737,6.28
+CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL178670,6.72
+CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL178840,7.02
+CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,CHEMBL180215,6.12
+O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,CHEMBL362014,6.14
+CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360036,6.66
+O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,CHEMBL178303,6.64
+CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,CHEMBL359613,7.68
+Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,CHEMBL363211,9.08
+COC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1,CHEMBL364740,6.81
+c1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL194198,7.44
+N#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL198358,7.57
+N#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL198509,8.15
+Brc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL197302,8.12
+CC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL196982,7.92
+COC(=O)c1sccc1-c1cnnc(-c2ccccc2)c1,CHEMBL364564,7.06
+Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL370718,8.07
+c1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1,CHEMBL364505,8.89
+CCOc1cc(-c2cccc(Br)c2)cnn1,CHEMBL196675,8.07
+CC(C)Oc1cc(-c2cccc(Br)c2)cnn1,CHEMBL383788,7.59
+CNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372302,7.31
+CN(C)c1cc(-c2cccc(Br)c2)cnn1,CHEMBL371717,7.26
+CCNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL197883,8.46
+CC(C)Nc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372340,8.14
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,CHEMBL373250,9.1
+CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,CHEMBL200177,9.58
+CCO/N=C(\C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1,CHEMBL381625,8.747
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL199411,8.35
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL199957,9.405
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL199689,9.18
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,CHEMBL199690,8.57
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL381380,9.3
+N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL383626,8.28
+N#Cc1c(F)cccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL201559,8.34
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL369902,8.92
+N#Cc1ccc(F)cc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL202768,9.19
+N#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL382412,9.06
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL436768,8.57
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL201472,9.015
+COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1,CHEMBL32503,6.62
+O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,CHEMBL377925,7.7
+O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1,CHEMBL144718,6.43
+O=c1cc(C2CCNCC2)s[nH]1,CHEMBL109209,4.59
+O=c1[nH]sc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,CHEMBL202028,8.92
+O=c1[nH]sc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1,CHEMBL204189,6.14
+O=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br,CHEMBL442789,8.525
+O=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1,CHEMBL204017,7.66
+O=c1[nH]sc(C2CCNCC2)c1Cc1ccccc1,CHEMBL203718,6.33
+CCCc1c(C2CCNCC2)s[nH]c1=O,CHEMBL382791,6.64
+Cc1c(C2CCNCC2)s[nH]c1=O,CHEMBL204110,5.54
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cc(F)cc4C#N)c3)cnc2n1,CHEMBL202343,9.82
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1,CHEMBL204696,9.18
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL204701,8.92
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F,CHEMBL427207,9.6
+Cc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL204319,8.82
+Cc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL202070,7.89
+COc1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL383467,7.54
+COc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL379467,8.24
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL204400,9.0
+Fc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL445401,8.08
+N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL380945,9.0
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1,CHEMBL204041,8.6
+N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL204194,7.74
+FC(F)(F)c1ccn2c(-c3ccnc(Cl)n3)cnc2n1,CHEMBL204390,9.03
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL203591,9.44
+COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL383106,8.92
+FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,CHEMBL203769,9.51
+FC(F)(F)c1ccn2c(-c3cccc(Br)n3)cnc2n1,CHEMBL203768,9.51
+FC(F)(F)c1ccn2c(-c3ccccn3)cnc2n1,CHEMBL380715,8.04
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1,CHEMBL380730,9.17
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL203455,9.12
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203785,8.89
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL203897,9.17
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203781,8.7
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL203732,8.84
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204156,9.26
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL437877,9.09
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL383677,9.22
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203437,8.84
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL382005,8.75
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203315,9.1
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL204004,8.8
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204003,9.17
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1,CHEMBL206196,8.36
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2n1,CHEMBL382173,9.15
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1F,CHEMBL202952,9.7
+CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL206587,9.55
+Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,CHEMBL206380,9.8
+Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203211,9.15
+Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,CHEMBL202696,9.28
+CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203877,8.62
+Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL205205,8.19
+Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203186,8.6
+Fc1ccc(-c2cnnc(-c3c(F)cccc3F)c2)cc1-c1ncccc1F,CHEMBL203286,10.0
+Fc1cnc(-c2cc(-c3cnnc(-c4ncccc4F)c3)ccc2F)c(F)c1,CHEMBL206669,9.4
+Fc1ccc(-c2cnnc(-c3ncccc3F)c2)cc1-c1ncccc1F,CHEMBL206620,9.3
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1,CHEMBL203896,8.59
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL202789,8.82
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1,CHEMBL204577,9.3
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1,CHEMBL383303,8.74
+Fc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F,CHEMBL207840,9.1
+Fc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1,CHEMBL203392,8.46
+Fc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1,CHEMBL425934,9.05
+Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,CHEMBL382198,9.41
+O=c1cc(C2CCNCC2)o[nH]1,CHEMBL311761,4.96
+O=c1[nH]oc(C2CCNCC2)c1C(Br)c1ccc2ccccc2c1,CHEMBL373716,7.38
+O=c1[nH]oc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1,CHEMBL1202310,8.045
+O=c1[nH]oc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1,CHEMBL1202309,8.1
+O=c1[nH]oc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1,CHEMBL1204123,8.01
+O=c1[nH]oc(C2CCNCC2)c1-c1ccc(-c2ccccc2)cc1,CHEMBL1202308,7.15
+CC(C)(C)c1ccc(-c2c(C3CCNCC3)o[nH]c2=O)cc1,CHEMBL1202307,6.59
+O=c1[nH]oc(C2CCNCC2)c1-c1ccsc1,CHEMBL1202306,7.12
+O=c1[nH]oc(C2CCNCC2)c1-c1cccnc1,CHEMBL1202305,6.345
+Nc1cccc(-c2c(C3CCNCC3)o[nH]c2=O)c1,CHEMBL1202304,7.23
+O=c1[nH]oc(C2CCNCC2)c1-c1cccc([N+](=O)[O-])c1,CHEMBL1202303,6.86
+O=c1[nH]oc(C2CCNCC2)c1-c1cc(Cl)cc(Cl)c1,CHEMBL1202302,7.17
+O=c1[nH]oc(C2CCNCC2)c1-c1ccc(Cl)cc1,CHEMBL1202301,6.69
+O=c1[nH]oc(C2CCNCC2)c1-c1cccc(Cl)c1,CHEMBL1202300,7.32
+O=c1[nH]oc(C2CCNCC2)c1-c1ccccc1Cl,CHEMBL1202299,6.89
+O=c1[nH]oc(C2CCNCC2)c1-c1cccc2ccccc12,CHEMBL370714,6.48
+O=c1[nH]oc(C2CCNCC2)c1-c1ccc2ccccc2c1,CHEMBL382320,6.85
+O=c1[nH]oc(C2CCNCC2)c1-c1ccccc1,CHEMBL195164,6.8
+O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1,CHEMBL193370,6.7
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CHEMBL225631,9.44
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,CHEMBL375742,9.64
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CHEMBL224561,9.42
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,CHEMBL224608,8.21
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,CHEMBL224175,9.11
+c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,CHEMBL224134,8.96
+Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1077381,7.74
+Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1077391,7.82
+Cc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078580,6.87
+Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078985,7.48
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1080412,7.28
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1080588,6.76
+Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2,CHEMBL1080398,6.27
+Cc1noc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)n1,CHEMBL1081861,6.33
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1,CHEMBL1080576,6.73
+COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1080397,6.21
+Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2,CHEMBL1080575,6.2
+Cc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1079272,5.85
+Cc1ncn2c1Cn1nc(C(C)(C)C)nc1-c1cc(Br)ccc1-2,CHEMBL1080396,5.5
+CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C,CHEMBL1271047,6.86
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269930,7.84
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1270037,8.17
+C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1,CHEMBL1270038,9.01
+CC(C)(C)OC(=O)c1ccc2[nH]c3ccc(C#Cc4ccc5[nH]c6ccc(C(=O)OC(C)(C)C)cc6c5c4)cc3c2c1,CHEMBL1269785,7.52
+C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1270143,7.77
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1269816,8.36
+C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1269929,8.35
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270144,7.92
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269786,8.32
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270247,7.11
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270248,8.62
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270347,7.59
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270348,7.43
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270442,8.04
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270443,8.44
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270538,7.6
+CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1269058,8.43
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C(C)(C)C)cc12,CHEMBL1270539,8.56
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1270540,8.79
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269059,7.52
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269060,6.92
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270637,8.52
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270638,8.4
+O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270639,8.0
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl,CHEMBL1270739,5.7
+CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269061,7.74
+CCC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270740,6.0
+O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270741,7.66
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1,CHEMBL1270841,7.47
+CC/C=C/C=C/Oc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269094,6.61
+C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270843,7.05
+C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270943,7.57
+CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269148,7.77
+CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269149,8.11
+C#Cc1ccc2c(c1)c1cc(C(=O)OC(C)(C)C)ncc1n2C(=O)OC(C)(C)C,CHEMBL1270944,6.35
+Cc1ccc2nc(=O)n3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL1644823,9.37
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccccc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644825,8.44
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccsc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644826,9.85
+Cc1ccc(-n2[nH]c3c4cc(CCc5cccnc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644828,9.17
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2,CHEMBL2261630,6.85
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL2261632,7.47
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261631,8.15
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261633,7.03
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261634,6.52
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2,CHEMBL2261916,7.55
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3cccs3)ccc1-2,CHEMBL2261917,7.8
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261918,8.74
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL2261919,7.3
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261922,6.82
diff --git a/chembl_200/CHEMBL2094122.csv b/chembl_200/CHEMBL2094122.csv
new file mode 100644
index 0000000000000000000000000000000000000000..683c6acf34701495953a77f1bec9d063cb2d8d9a
--- /dev/null
+++ b/chembl_200/CHEMBL2094122.csv
@@ -0,0 +1,601 @@
+CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL17424,8.85
+Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)n1,CHEMBL416659,8.745
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL53642,6.89
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1,CHEMBL445358,6.77
+c1ccc(-c2nnc3c4ccccc4c(OCc4cnccn4)nn23)cc1,CHEMBL300862,9.44
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1,CHEMBL298501,7.13
+Cc1cccc2c1c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL299642,7.7
+C=Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299802,8.49
+c1ccc(Cc2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL301336,7.74
+CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL51911,6.8
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCCC4)cc1,CHEMBL301181,8.57
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCCC4CC2)cc1,CHEMBL53587,8.92
+Clc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL55081,6.25
+COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL300018,7.41
+CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL297958,6.62
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL299611,9.48
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL50402,8.43
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL298386,9.06
+CCCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL441978,7.72
+CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL12,7.957999999999999
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL52696,6.77
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccoc4)nn23)cc1,CHEMBL52310,7.89
+c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1,CHEMBL301063,9.13
+c1ccc(-c2nnc3c4ccccc4c(OCCc4ccccn4)nn23)cc1,CHEMBL50320,7.82
+Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12,CHEMBL300951,9.08
+c1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL50581,7.42
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)nc1,CHEMBL300497,8.96
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccsc4)nn23)cc1,CHEMBL300690,6.6
+COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12,CHEMBL273456,7.1
+COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL300867,6.8
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnc4)nn23)cc1,CHEMBL299437,7.51
+CC(Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1,CHEMBL52818,6.85
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1,CHEMBL53238,9.42
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL299210,9.77
+CC(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53529,8.1
+O=C1c2ccccc2C(=O)N1CCn1c(=O)c2ccccc2c(=O)n1Cc1ccccc1,CHEMBL54859,5.32
+Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL292462,8.77
+Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL441612,8.4
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncn4)nn23)cc1,CHEMBL292380,9.3
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2,CHEMBL52030,9.358
+c1ccc(-c2nnc3c4ccccc4c(OCC4CCNCC4)nn23)cc1,CHEMBL55450,7.52
+c1ccc(COc2nn3c(C4CCC4)nnc3c3ccccc23)nc1,CHEMBL298760,8.29
+Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53729,7.54
+CCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299736,7.8
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnn4)nn23)cc1,CHEMBL300615,9.82
+COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1,CHEMBL297717,7.14
+Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1,CHEMBL296383,9.04
+Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12,CHEMBL13662,6.268
+COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL52640,6.82
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncc4)nn23)cc1,CHEMBL52672,9.48
+Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL296607,9.19
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#C[Si](C)(C)C)cc2C1=O,CHEMBL300840,8.58
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([N-][N+]#N)ccc1-2,CHEMBL6597,9.537
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL286594,9.31
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL35571,7.82
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL59181,8.3
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58757,9.4
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1,CHEMBL122154,9.12
+CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1,CHEMBL17547,9.3
+CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL17468,8.782
+CSc1sc(-c2ccncc2)c2c1C(=O)CC(C)(C)C2,CHEMBL276508,8.04
+CSc1sc(-c2nccs2)c2c1C(=O)CC(C)(C)C2,CHEMBL277504,8.66
+CSc1sc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL17698,8.77
+CSc1sc(-c2cccnc2)c2c1C(=O)CC(C)(C)C2,CHEMBL17574,8.24
+CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,CHEMBL17603,8.8
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL17354,8.28
+Cc1cccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL307230,8.43
+Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1,CHEMBL68684,9.043
+Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL305068,8.905
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)n4)nn23)no1,CHEMBL307111,9.06
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3CC2)n1,CHEMBL303718,8.34
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1,CHEMBL306422,9.18
+Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL68712,8.55
+Cc1cccc(COc2nn3c(-c4ccoc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL62630,8.51
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1,CHEMBL69605,8.7
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.408
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1,CHEMBL68490,9.1
+Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123882,8.19
+Cc1cccc(COc2nn3c(-c4ncn(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123078,6.67
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1,CHEMBL123406,8.26
+Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421257,8.48
+Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331907,8.4
+Cc1cccc(COc2nn3c(-c4ccccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331657,7.82
+Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1,CHEMBL122619,9.41
+Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,CHEMBL334246,8.42
+Cc1noc(-c2nnc3c4c(c(OCc5cccc[n+]5[O-])nn23)C2CCC4CC2)n1,CHEMBL121370,8.41
+Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421072,7.89
+Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123530,8.17
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1,CHEMBL334138,8.05
+Cc1noc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)n1,CHEMBL121277,9.03
+Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1,CHEMBL331569,9.04
+Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,CHEMBL333659,6.6
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5Br)nn23)C2CCC4CC2)n1,CHEMBL121088,9.0
+Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123072,8.68
+Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331549,7.24
+Cc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL121603,8.74
+Cc1noc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL121275,9.11
+CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1,CHEMBL332893,8.46
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5C#N)nn23)C2CCC4CC2)n1,CHEMBL120838,9.36
+Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123471,7.72
+CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1,CHEMBL318873,9.0
+CCSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95541,8.72
+COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)CC(C)C3)ns1,CHEMBL98649,8.49
+CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1,CHEMBL95746,9.3
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL95188,7.72
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95724,8.12
+CCSc1ccc(-c2ncco2)c2c1C(=O)CC(C)C2,CHEMBL320395,8.59
+CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2,CHEMBL318370,8.68
+CCSc1ccc(-c2cccc[n+]2[O-])c2c1C(=O)CC(C)C2,CHEMBL100469,7.6
+CC1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1,CHEMBL95760,8.59
+CCSc1ccc(-c2ccccn2)c2c1C(=O)CCC2,CHEMBL95268,6.99
+CCSc1ccc(-c2nccs2)c2c1C(=O)CC(C)C2,CHEMBL95443,9.0
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CHEMBL420929,8.33
+CC(C)Nc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL312118,8.41
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,CHEMBL73486,8.85
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL308481,8.85
+CC(C)(C)OC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL307783,6.952999999999999
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL415290,9.07
+C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144849,9.77
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2,CHEMBL267665,9.4
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(OCC)ccc1-2,CHEMBL416450,8.97
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#CC[Si](C)(C)C)cc2C1=O,CHEMBL335960,7.64
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL335888,8.32
+CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1,CHEMBL83581,6.48
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#C[Si](C)(C)C)ccc21,CHEMBL173347,7.2
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL336636,8.43
+CN1C(=O)CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21,CHEMBL170808,8.11
+CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43718,6.74
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL336728,9.43
+Clc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL439945,6.68
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1,CHEMBL3144698,8.89
+O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2N1,CHEMBL408797,6.7
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Br)cc2C1=O,CHEMBL6655,9.33
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL133705,8.07
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCC3)cc2C1=O,CHEMBL131977,8.03
+CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(CC)c3c2c1,CHEMBL314788,4.9
+C#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144696,10.1
+Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,CHEMBL646,8.81
+CCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL299250,6.073
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N+](=O)[O-])cc2C1=O,CHEMBL7290,8.46
+CCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL47853,5.59
+CCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL45174,6.43
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1CC,CHEMBL173329,9.0
+O=C1CN=C(c2cccs2)c2cc(F)ccc2N1,CHEMBL368130,6.82
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N=C=S)cc2C1=O,CHEMBL6814,8.6
+CCOCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL295981,7.08
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL339163,8.89
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL130416,8.59
+O=[N+]([O-])c1ccc2[nH]c3cnc4c5ccccc5[nH]c4c3c2c1,CHEMBL78766,5.81
+CCCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL66902,6.0
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#N)ccc1-2,CHEMBL132529,8.22
+COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144841,9.7
+COc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12,CHEMBL3144617,9.08
+O=C1CN=C(c2ccccc2)c2ccccc2N1,CHEMBL13458,6.85
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,CHEMBL407,9.22
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL173082,8.8
+Clc1cc2c3ccccc3nc-2c[nH]1,CHEMBL298561,6.0
+CCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C,CHEMBL420044,6.79
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1COC,CHEMBL176457,6.49
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL336377,9.0
+COC(=O)c1cc2c3cc(NCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL268262,6.32
+c1ccc2c(c1)=Nc1cnc3c(c1=2)=Nc1cnccc1-3,CHEMBL173938,6.62
+CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1,CHEMBL307202,8.81
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc1-2,CHEMBL341398,9.52
+CCCOc1ccc2[nH]c3cnc(C(=O)NN)c(COC)c3c2c1,CHEMBL368179,6.97
+COC(=O)c1cc2c3cc(NC4CCCCC4)ccc3nc-2c[nH]1,CHEMBL177076,6.5
+CN1Cc2c(CCl)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL44784,7.55
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(O)cc2C1=O,CHEMBL130609,9.85
+CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c-2c1COC,CHEMBL10195,7.73
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N-][N+]#N)cc2C1=O,CHEMBL6421,9.52
+CCOC(=O)c1[nH]cc2nc3ccccc3c-2c1COC,CHEMBL10534,7.98
+CCCOc1ccc2[nH]c3cnc(N)c(COC)c3c2c1,CHEMBL84921,6.42
+CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC,CHEMBL1518572,8.35
+c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,CHEMBL301605,7.39
+O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1,CHEMBL3144615,9.36
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21,CHEMBL275115,6.58
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL445856,6.8
+CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL10597,6.57
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1COC,CHEMBL10483,8.4
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2,CHEMBL366947,9.3
+CCCC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL69719,6.0
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C,CHEMBL174535,8.17
+COC(=O)c1cc2c3cc(NCc4ccc5ccccc5c4)ccc3nc-2c[nH]1,CHEMBL368171,6.09
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL415293,9.19
+CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21,CHEMBL368768,8.11
+C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL133272,9.4
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC,CHEMBL273464,7.17
+COc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL141039,6.65
+C[Si](C)(C)C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144795,7.62
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL339172,7.9
+COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12,CHEMBL454095,8.22
+COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL172839,6.8
+C=C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL57655,8.955
+Fc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL79945,6.59
+CN1C(=O)CN=C(c2cccs2)c2cc(F)ccc21,CHEMBL369358,7.18
+CCOC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL11709,7.57
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL129855,8.4
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(-c4ccccc4)no3)ncn1-2,CHEMBL133914,6.43
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL337166,8.14
+CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58570,8.76
+CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C,CHEMBL46957,5.87
+CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1,CHEMBL49141,8.62
+c1cnc2c(c1)-c1ncc3c(c1=N2)=c1ccccc1=N3,CHEMBL173193,6.7
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccccc1,CHEMBL19732,9.6
+CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,CHEMBL13280,8.68
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(CC)ccc1-2,CHEMBL58385,8.82
+CCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43724,6.78
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1CC,CHEMBL435550,6.57
+COc1ccc(-n2[nH]c3c(cnc4cc(OC)ccc43)c2=O)cc1,CHEMBL3144610,9.28
+CCc1c(C(=O)NN)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL173087,7.04
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL133112,8.14
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL134175,8.62
+COC(=O)c1cc2c3cc(SC#N)ccc3nc-2c[nH]1,CHEMBL173219,6.85
+O=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccccc1,CHEMBL3144697,9.92
+CCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL52750,6.23
+N#CSc1ccc2[nH]c3cnc(SC#N)cc3c2c1,CHEMBL175427,5.54
+COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL133049,9.535
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(-c4ccccc4)no3)ncn1-2,CHEMBL335555,6.34
+O=[N+]([O-])c1ccc2[nH]c3cnc([N+](=O)[O-])cc3c2c1,CHEMBL173325,6.5
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N(C)C)cc2C1=O,CHEMBL339165,9.11
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N3CCCCC3)cc2C1=O,CHEMBL340546,8.37
+CN1Cc2c(C(=O)OCC3CC3)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL6440,8.01
+CC(C)COc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269093,6.0
+c1cnc2c(c1)N=c1c-2ncc2c1=c1ccccc1=N2,CHEMBL172866,6.0
+COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1,CHEMBL3144753,9.49
+CN1C(=O)CN=C(c2ccccc2)c2ccccc21,CHEMBL73096,7.02
+CC#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL59180,8.77
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Br)ccc1-2,CHEMBL133219,9.15
+CN1C(=O)CN=C(c2cccs2)c2cc(Cl)ccc21,CHEMBL173339,7.94
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(I)cc2C1=O,CHEMBL6659,9.42
+CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC,CHEMBL85861,8.48
+COc1ccc(-c2cc(-c3noc(C)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55467,5.89
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL294600,6.49
+COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54368,6.47
+Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL55565,6.42
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,CHEMBL301195,6.41
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1,CHEMBL56098,6.48
+COc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59197,6.35
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,CHEMBL413325,6.41
+COc1ccc(-c2cc(-c3cccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55022,6.46
+Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL59427,6.57
+COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL83464,6.8
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1CC,CHEMBL87437,6.57
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1COC,CHEMBL87538,6.49
+CC(C)Oc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70526,7.82
+CSc1sc(-c2ccc[nH]2)c2c1C(=O)CC(C)(C)C2,CHEMBL71006,7.07
+CC1(C)CC(=O)c2c(SCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL17466,8.54
+CCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL72914,7.96
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL308077,8.34
+CSc1sc(-c2ncn(C)n2)c2c1C(=O)CC(C)(C)C2,CHEMBL432542,7.72
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL274281,8.8
+CCCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70812,7.74
+CSc1sc(-c2nc(C)no2)c2c1C(=O)CC(C)(C)C2,CHEMBL72357,7.43
+CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3cc[nH]n3)c2C1,CHEMBL304568,6.77
+CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL69946,8.62
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL302979,8.33
+CNc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL69842,6.88
+CC1(C)CC(=O)c2c(NCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL70604,7.11
+COc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL69945,7.17
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL275645,8.7
+CSc1sc(-c2cncs2)c2c1C(=O)CC(C)(C)C2,CHEMBL73052,7.82
+CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,CHEMBL359613,8.13
+OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179545,7.38
+OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178992,8.07
+OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,CHEMBL175856,7.225
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178942,8.96
+COc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL360562,6.77
+c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,CHEMBL178856,8.57
+Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL362282,9.59
+COc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL362869,8.22
+COc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178830,8.38
+Cc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178508,7.66
+Cc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL179000,7.77
+Cc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL427313,8.33
+c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL361340,9.06
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366537,9.35
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1,CHEMBL361015,9.05
+CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360122,9.54
+Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178831,9.27
+Fc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179048,7.57
+c1ccc(COc2nn3c(-c4cccnc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL361105,8.57
+c1ccc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL368905,7.7
+c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL361114,9.68
+Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366471,8.57
+c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,CHEMBL179699,8.57
+c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,CHEMBL360912,8.92
+c1ccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL360966,8.36
+c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL426234,8.28
+Cc1csc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL179430,7.59
+c1ccc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178738,8.74
+c1ccc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)cc1,CHEMBL362421,8.19
+Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178242,8.54
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,CHEMBL362620,8.7
+Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359545,9.11
+c1ccc(-c2nnc3c4c(c(OCc5nc6ccccc6s5)nn23)C2CCC4CC2)cc1,CHEMBL179664,7.64
+Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1,CHEMBL361561,7.96
+Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178837,7.92
+c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,CHEMBL179700,8.33
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179474,9.34
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360733,8.7
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178710,8.92
+Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,CHEMBL179513,7.8
+c1ccc(-c2nnc3c4c(c(OCc5nnc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL359650,8.55
+Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL366468,8.68
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179712,9.41
+CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL362485,8.51
+Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL369035,9.08
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,CHEMBL178677,9.7
+CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL179924,8.05
+CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL361129,9.72
+Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL440558,8.36
+Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL175929,8.19
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,CHEMBL361786,9.0
+N#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179475,9.27
+COC(=O)c1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359906,8.6
+Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178632,7.47
+COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL180416,9.19
+CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179414,9.44
+COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL175475,9.3
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,CHEMBL179558,9.12
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,CHEMBL180464,8.38
+c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL360311,8.15
+c1ccc(-c2nnc3c4c(c(OCc5cccnn5)nn23)C2CCC4CC2)cc1,CHEMBL180174,9.06
+c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,CHEMBL361597,8.04
+c1ccc(-c2nnc3c4c(c(OCc5ccncn5)nn23)C2CCC4CC2)cc1,CHEMBL179777,9.26
+c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1,CHEMBL178956,8.68
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL175886,8.68
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL362409,8.89
+c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,CHEMBL178783,9.16
+c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL178188,8.02
+c1ccc(-c2nnc3c4c(c(OCc5cnc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL361200,8.41
+c1ccc(-c2nnc3c4c(c(OCCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179810,7.36
+Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL180417,7.52
+CCO[n+]1ccccc1Oc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359616,7.19
+c1ccc(-c2nnc3c4c(c(COc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL180224,7.24
+O=C(Nc1ccccn1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360345,7.4
+c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL178633,6.96
+N#Cc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179509,8.59
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL434138,8.11
+N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179769,8.03
+OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360113,7.96
+OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179737,7.96
+CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL178670,8.35
+CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL178840,8.12
+CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,CHEMBL180215,7.0
+O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,CHEMBL362014,7.23
+CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360036,8.0
+O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,CHEMBL178303,8.05
+Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,CHEMBL363211,8.85
+COC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1,CHEMBL364740,7.92
+c1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL194198,7.54
+N#Cc1ccccc1-c1cnnc(-c2ccccc2)c1,CHEMBL198306,6.49
+N#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1,CHEMBL198358,7.25
+N#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL198509,8.28
+Brc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL197302,8.1
+CC(C)Oc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL196982,8.08
+COC(=O)c1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL197559,7.96
+COC(=O)c1sccc1-c1cnnc(-c2ccccc2)c1,CHEMBL364564,7.92
+c1ccc(-c2cc(-c3cccc(-n4cnnc4)c3)cnn2)cc1,CHEMBL194513,7.92
+Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1,CHEMBL370718,8.06
+c1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1,CHEMBL364505,8.8
+N#Cc1cccc(-c2cnnc(-c3ccccc3F)c2)c1,CHEMBL196250,8.47
+N#Cc1cccc(-c2cnnc(-c3cccc(F)c3)c2)c1,CHEMBL197683,8.4
+N#Cc1cccc(-c2cnnc(-c3ccc(F)cc3)c2)c1,CHEMBL196905,7.85
+N#Cc1cccc(-c2cnnc(-c3ccc(F)cc3F)c2)c1,CHEMBL373213,7.77
+N#Cc1cccc(-c2cnnc(-c3ccc(F)c(F)c3)c2)c1,CHEMBL381670,7.89
+COc1cc(-c2cccc(Br)c2)cnn1,CHEMBL371647,7.27
+CCOc1cc(-c2cccc(Br)c2)cnn1,CHEMBL196675,8.24
+CC(C)Oc1cc(-c2cccc(Br)c2)cnn1,CHEMBL383788,7.44
+Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,CHEMBL199169,7.2
+N#Cc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,CHEMBL199170,7.77
+CCOc1cc(-c2cccc(C#N)c2)cnn1,CHEMBL370211,7.44
+CNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372302,7.57
+CN(C)c1cc(-c2cccc(Br)c2)cnn1,CHEMBL371717,7.29
+CCNc1cc(-c2cccc(Br)c2)cnn1,CHEMBL197883,8.42
+CC(C)Nc1cc(-c2cccc(Br)c2)cnn1,CHEMBL372340,8.14
+CCNc1cc(-c2cccc(C#N)c2)cnn1,CHEMBL199138,7.48
+Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,CHEMBL197821,7.72
+N#Cc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,CHEMBL198203,8.21
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,CHEMBL373250,8.64
+CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,CHEMBL200177,9.7
+CCO/N=C(\C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1,CHEMBL381625,8.8
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL199411,8.92
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL199957,9.92
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL199689,9.68
+N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,CHEMBL199690,9.03
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL381380,9.7
+N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,CHEMBL383626,8.8
+N#Cc1c(F)cccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL201559,8.55
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL369902,9.3
+N#Cc1ccc(F)cc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL202768,9.59
+N#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL382412,9.3
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL436768,10.0
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL201472,9.28
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1,CHEMBL204696,9.005
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL203455,9.49
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203785,8.03
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL203897,8.57
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203781,8.8
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL203732,8.91
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204156,9.3
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL437877,9.3
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL383677,9.85
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203437,9.17
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL382005,8.95
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncccc4F)c3)cnc2n1,CHEMBL203315,8.91
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL204004,9.38
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204003,9.51
+CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL206587,9.82
+Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,CHEMBL206380,9.72
+Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203211,9.41
+Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,CHEMBL202696,10.0
+CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203877,9.02
+Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL205205,8.64
+Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,CHEMBL203186,8.32
+Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)cc1,CHEMBL207892,8.42
+Fc1cnc(-c2cc(-c3cnnc(-c4ncccc4F)c3)ccc2F)c(F)c1,CHEMBL206669,8.49
+Fc1ccc(-c2cnnc(-c3ncccc3F)c2)cc1-c1ncccc1F,CHEMBL206620,8.62
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1,CHEMBL203896,8.29
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL202789,7.92
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1,CHEMBL204577,8.55
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1,CHEMBL383303,8.22
+Fc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F,CHEMBL207840,8.52
+Fc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1,CHEMBL203392,8.25
+Fc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1,CHEMBL425934,8.11
+Fc1ccc(-c2cnnc(-c3c(F)cccc3F)c2)cc1-c1ncccc1F,CHEMBL203286,9.52
+Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL382356,8.85
+Fc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1,CHEMBL206818,9.15
+Fc1ccccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1,CHEMBL206479,9.3
+CCOC(=O)c1ncn2c1Cc1cncnc1-c1ccccc1-2,CHEMBL576711,8.43
+CCOC(=O)c1ncn2c1Cc1cnc(-c3ccccc3)nc1-c1ccccc1-2,CHEMBL569261,6.77
+CCOC(=O)c1ncn2c1Cc1cnc(Cc3ccc(OC)cc3)nc1-c1ccccc1-2,CHEMBL565341,7.9
+CCCc1ncc2c(n1)-c1ccccc1-n1cnc(C(=O)OCC)c1C2,CHEMBL584546,8.26
+CCOC(=O)c1ncn2c1Cc1cnc(C)nc1-c1ccccc1-2,CHEMBL577727,8.42
+CCOC(=O)c1ncn2c1Cc1cnc(C(C)C)nc1-c1ccccc1-2,CHEMBL569040,8.05
+CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1ccccc1-2,CHEMBL583206,8.12
+CCOC(=O)c1ncn2c1Cc1cnc(C)nc1-c1cc(F)ccc1-2,CHEMBL566357,8.34
+CCCc1ncc2c(n1)-c1cc(F)ccc1-n1cnc(C(=O)OCC)c1C2,CHEMBL566378,8.1
+CCOC(=O)c1ncn2c1Cc1cnc(C(C)C)nc1-c1cc(F)ccc1-2,CHEMBL567242,7.95
+CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2,CHEMBL584469,8.11
+CCOC(=O)c1ncn2c1Cc1cncnc1-c1cc(Br)ccc1-2,CHEMBL565343,7.69
+CCOC(=O)c1ncn2c1Cc1cnc(C)nc1-c1cc(Br)ccc1-2,CHEMBL569477,7.9
+c1ccc2c(c1)-c1ncncc1Cc1cncn1-2,CHEMBL569056,6.39
+Clc1ncn2c1Cc1cncnc1-c1ccccc1-2,CHEMBL577510,7.81
+Cc1ncc2c(n1)-c1ccccc1-n1cnc(Cl)c1C2,CHEMBL566171,7.81
+Clc1ncn2c1Cc1cncnc1-c1cc(Br)ccc1-2,CHEMBL577249,6.87
+Cc1ncc2c(n1)-c1cc(Br)ccc1-n1cnc(Cl)c1C2,CHEMBL566156,7.21
+C#Cc1ccc2c(c1)-c1nc(C)ncc1Cc1c(C(=O)OCC)ncn1-2,CHEMBL584708,8.09
+C#Cc1ccc2c(c1)-c1nc(C)ncc1Cc1c(Cl)ncn1-2,CHEMBL567455,6.88
+CCOc1ncn2c1Cn1nccc1-c1ccccc1-2,CHEMBL566181,9.7
+CCOc1ncn2c1Cn1nccc1-c1cc(Cl)ccc1-2,CHEMBL578395,8.85
+Cc1ncn2c1Cn1nccc1-c1ccccc1-2,CHEMBL577296,8.52
+Clc1ncn2c1Cn1nccc1-c1ccccc1-2,CHEMBL584095,8.7
+O=C(c1ncn2c1Cn1nccc1-c1ccccc1-2)C1CC1,CHEMBL565510,9.0
+Cc1ncn2c1Cn1nccc1-c1cc(Br)ccc1-2,CHEMBL576468,7.31
+Cc1ncn2c1Cn1ccnc1-c1cc(Br)ccc1-2,CHEMBL576522,8.18
+Cc1cn2c(n1)-c1cc(Br)ccc1-n1cnc(C)c1C2,CHEMBL577279,6.92
+Cc1ncn2c1Cn1c(C)cnc1-c1cc(Br)ccc1-2,CHEMBL578816,7.93
+CCOC(=O)c1cn2c(n1)-c1cc(Br)ccc1-n1cnc(C)c1C2,CHEMBL585897,8.27
+Cc1ncn2c1Cn1cc(CO)nc1-c1cc(Br)ccc1-2,CHEMBL568847,8.09
+Cc1ncn2c1Cn1cc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2,CHEMBL568539,8.8
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1ccccc1-2,CHEMBL577290,9.1
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(F)ccc1-2,CHEMBL565293,8.77
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(Cl)ccc1-2,CHEMBL577411,8.92
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2,CHEMBL567019,9.22
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(C)ccc1-2,CHEMBL565557,8.68
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(OC)ccc1-2,CHEMBL565344,8.85
+CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(O)ccc1-2,CHEMBL565345,9.22
+C#Cc1ccc2c(c1)-c1nncn1Cc1c(C(=O)OCC)ncn1-2,CHEMBL569008,8.64
+C#Cc1ccc2c(c1)-c1nncn1Cc1c(Cl)ncn1-2,CHEMBL565720,7.47
+N#Cc1ccc2c(c1)-c1nncn1Cc1c(Cl)ncn1-2,CHEMBL569478,7.6
+Clc1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2,CHEMBL578817,7.56
+Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn1-2,CHEMBL569057,8.11
+Cc1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2,CHEMBL566566,6.82
+C#Cc1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2,CHEMBL578394,8.11
+CC(C)C(=O)c1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2,CHEMBL583634,7.26
+CCOC(=O)c1ncn2c1Cn1c(C)nnc1-c1cc(OC)ccc1-2,CHEMBL585326,7.84
+CCOC(=O)c1ncn2c1Cn1c(-c3ccccc3)nnc1-c1cc(OC)ccc1-2,CHEMBL565721,7.27
+CCOC(=O)c1ncn2c1Cn1c(Cc3ccccc3)nnc1-c1cc(OC)ccc1-2,CHEMBL565722,7.64
+CCOC(=O)c1ncn2c1Cn1c(Cc3ccccc3)nnc1-c1cc(Br)ccc1-2,CHEMBL565316,7.72
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL567243,9.7
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL565560,9.52
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(C)ccc1-2,CHEMBL566188,9.3
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(C3CC3)ccc1-2,CHEMBL571465,9.22
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(OC)ccc1-2,CHEMBL571466,9.7
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc1-2,CHEMBL569273,9.1
+C#Cc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)OCC)ncn1-2,CHEMBL569010,9.22
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(NC(=O)C(C)C)ccc1-2,CHEMBL565338,8.19
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1ccccc1-2,CHEMBL566189,9.7
+c1ccc2c(c1)-c1ncnn1Cc1cncn1-2,CHEMBL576667,8.19
+CCc1ncn2c1Cn1ncnc1-c1ccccc1-2,CHEMBL576426,9.3
+C#CCNC(=O)c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2,CHEMBL1079871,7.17
+CCS(=O)(=O)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1079519,6.67
+CCC(F)(F)c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2,CHEMBL1079299,8.49
+CCCc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1079300,8.8
+Clc1ccc2c(c1)-c1ncnn1Cc1c(C3CC3)ncn1-2,CHEMBL1079301,8.03
+Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1077381,8.52
+Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1077391,8.7
+Cc1cccc(-c2ncn3c2Cn2ncnc2-c2cc(Cl)ccc2-3)n1,CHEMBL1078298,7.51
+Cc1nc(-c2ncn3c2Cn2ncnc2-c2cc(F)ccc2-3)no1,CHEMBL1078299,9.7
+Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn1-2,CHEMBL1078472,8.4
+Cn1nccc1-c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078473,8.01
+Cc1ncn2c1Cn1ncnc1-c1ccccc1-2,CHEMBL1078500,8.59
+Cc1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2,CHEMBL1078501,8.52
+Cc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078580,8.215
+Cc1ncn2c1Cn1ncnc1-c1cc(I)ccc1-2,CHEMBL1077397,8.36
+Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2,CHEMBL1078581,8.04
+Cc1ncn2c1Cn1ncnc1-c1cc(C(F)F)ccc1-2,CHEMBL1078606,8.66
+Cc1ncn2c1Cn1ncnc1-c1cc(C(F)(F)F)ccc1-2,CHEMBL1078607,7.74
+COc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2,CHEMBL1078780,8.11
+Cc1ncn2c1Cn1ncnc1-c1cc(OC(F)F)ccc1-2,CHEMBL1078781,8.74
+Cc1ncn2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc1-2,CHEMBL1078782,7.3
+Cc1ncn2c1Cn1ncnc1-c1cccc(F)c1-2,CHEMBL1077409,7.19
+Cc1ncn2c1Cn1ncnc1-c1c(F)cccc1-2,CHEMBL1078957,9.0
+Cc1ncn2c1Cn1ncnc1-c1c(Cl)cccc1-2,CHEMBL1078958,8.92
+Clc1ncn2c1Cn1ncnc1-c1ccccc1-2,CHEMBL1078959,9.52
+Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078985,8.85
+N#Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1078986,8.62
+Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1079088,8.74
+FC(F)c1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1079089,8.96
+Clc1ncn2c1Cn1ncnc1-c1cc(C3CC3)ccc1-2,CHEMBL1079090,8.92
+Clc1ncn2c1Cn1ncnc1-c1cc(-c3ccccc3)ccc1-2,CHEMBL1079691,8.2
+Clc1ncn2c1Cn1ncnc1-c1cc(NC3CC3)ccc1-2,CHEMBL1081492,8.66
+CC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1081493,8.54
+O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2)C1CC1,CHEMBL1081494,7.8
+CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1081495,7.27
+Clc1ncn2c1Cn1ncnc1-c1cc(-n3ccnc3)ccc1-2,CHEMBL1081496,7.89
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1080412,8.25
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1080588,8.34
+Fc1ccc2c(c1)-c1ncnn1Cc1cncn1-2,CHEMBL1077374,8.0
+CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2,CHEMBL1079870,9.7
+CCC(=O)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1079344,8.59
+N#Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1078368,8.19
+Fc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1077416,9.52
+Cc1ncn2c1Cn1nc(C(C)(C)C)nc1-c1cc(Br)ccc1-2,CHEMBL1080396,6.84
+Cc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1079272,7.7
+COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1080397,7.89
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(OC(F)(F)F)cc2-3)on1,CHEMBL1081139,7.96
+Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2,CHEMBL1080575,8.15
+Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2,CHEMBL1080398,8.3
+COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2,CHEMBL1077518,8.66
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccccc2-3)on1,CHEMBL1077468,8.8
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(O)cc2-3)on1,CHEMBL1078209,8.92
+Cc1noc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)n1,CHEMBL1081861,9.05
+Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2,CHEMBL1081140,9.1
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Cl)cc2-3)on1,CHEMBL1081862,9.22
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1,CHEMBL1080576,9.22
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269930,7.19
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1270037,6.97
+C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1,CHEMBL1270038,6.68
+C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1270143,5.84
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1269816,7.33
+C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1269929,6.91
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270144,6.91
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269786,6.54
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270247,6.17
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270248,6.79
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270347,6.9
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270348,5.54
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270442,6.35
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270443,7.12
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270538,6.52
+CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1269058,6.6
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C(C)(C)C)cc12,CHEMBL1270539,8.13
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1270540,8.34
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269060,5.3
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270637,6.9
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270638,6.34
+O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270639,6.72
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl,CHEMBL1270739,5.7
+CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269061,6.67
+CCC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270740,6.0
+O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270741,6.37
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1,CHEMBL1270841,6.0
+CC/C=C/C=C/Oc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269094,5.0
+C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270843,5.73
+C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270943,5.73
+CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269148,5.84
+CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269149,7.16
+C#Cc1ccc2c(c1)c1cc(C(=O)OC(C)(C)C)ncc1n2C(=O)OC(C)(C)C,CHEMBL1270944,5.3
+CC(C)(C)OC(=O)c1cc2c3cc(I)ccc3n(C(=O)OC(C)(C)C)c2cn1,CHEMBL1271046,5.73
+Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3cncnc3)cccc12,CHEMBL1631469,7.92
+Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3ncccn3)cccc12,CHEMBL1631466,7.85
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccccc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644825,7.18
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccsc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644826,8.44
+Cc1ccc(-n2[nH]c3c4cc(CCc5cccnc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644828,8.04
+CCOC(=O)c1ncn2c1CN=C(c1ccc(F)cc1)c1cc(F)ccc1-2,CHEMBL2170373,6.11
+CCOC(=O)c1ncn2c1CN=C(c1ccc(C)cc1)c1ccccc1-2,CHEMBL2170370,6.04
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL2261632,8.37
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261631,8.0
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261633,8.16
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261634,8.08
+C[Si](C)(C)C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261923,6.86
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261915,7.24
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2,CHEMBL2261916,7.89
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3cccs3)ccc1-2,CHEMBL2261917,7.92
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261918,8.77
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL2261919,8.62
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL2261920,7.4
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL2261921,6.99
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261922,8.4
diff --git a/chembl_200/CHEMBL2094130.csv b/chembl_200/CHEMBL2094130.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9a20c059019683c7041c74a2598e9f8eae527927
--- /dev/null
+++ b/chembl_200/CHEMBL2094130.csv
@@ -0,0 +1,482 @@
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#C[Si](C)(C)C)cc2C1=O,CHEMBL300840,6.84
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2,CHEMBL52030,7.592
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL286594,7.67
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL59181,6.85
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58757,7.58
+O=c1c2cnc3c(c2[nH]n1-c1ccc(Cl)cc1)CCCC3,CHEMBL116842,9.11
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL53642,6.4
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1,CHEMBL445358,6.25
+c1ccc(-c2nnc3c4ccccc4c(OCc4cnccn4)nn23)cc1,CHEMBL300862,8.8
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1,CHEMBL298501,6.57
+Cc1cccc2c1c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL299642,7.36
+Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,CHEMBL911,6.801
+C=Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299802,7.55
+c1ccc(Cc2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL301336,6.47
+CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL51911,6.21
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCCC4)cc1,CHEMBL301181,7.77
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCCC4CC2)cc1,CHEMBL53587,7.59
+Clc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL55081,6.24
+COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL300018,6.8
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL299611,8.77
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL50402,7.96
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL298386,8.64
+CCCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL441978,6.92
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL52696,6.42
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccoc4)nn23)cc1,CHEMBL52310,7.42
+c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1,CHEMBL301063,8.24
+c1ccc(-c2nnc3c4ccccc4c(OCCc4ccccn4)nn23)cc1,CHEMBL50320,7.6
+Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12,CHEMBL300951,8.74
+c1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL50581,7.8
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)nc1,CHEMBL300497,8.44
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccsc4)nn23)cc1,CHEMBL300690,6.29
+COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12,CHEMBL273456,7.39
+COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,CHEMBL300867,6.66
+c1ccc(-c2nnc3c4ccccc4c(OCc4cccnc4)nn23)cc1,CHEMBL299437,7.8
+CC(Oc1nn2c(-c3ccccc3)nnc2c2ccccc12)c1ccccn1,CHEMBL52818,6.28
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1,CHEMBL53238,8.72
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,CHEMBL299210,9.15
+CC(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53529,7.25
+O=C1c2ccccc2C(=O)N1CCn1c(=O)c2ccccc2c(=O)n1Cc1ccccc1,CHEMBL54859,5.74
+Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL292462,8.43
+Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1,CHEMBL441612,7.8
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncn4)nn23)cc1,CHEMBL292380,8.54
+c1ccc(-c2nnc3c4ccccc4c(OCC4CCNCC4)nn23)cc1,CHEMBL55450,7.4
+c1ccc(COc2nn3c(C4CCC4)nnc3c3ccccc23)nc1,CHEMBL298760,7.62
+Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL53729,6.33
+CCc1nnc2c3ccccc3c(OCc3ccccn3)nn12,CHEMBL299736,6.89
+COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1,CHEMBL297717,6.07
+Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1,CHEMBL296383,8.01
+Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12,CHEMBL13662,5.794
+COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)c1,CHEMBL52640,6.77
+c1ccc(-c2nnc3c4ccccc4c(OCc4ccncc4)nn23)cc1,CHEMBL52672,8.77
+Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21,CHEMBL296607,8.66
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([N-][N+]#N)ccc1-2,CHEMBL6597,8.59
+Cc1cccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL307230,6.96
+Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1,CHEMBL68684,8.737
+Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL305068,7.77
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)n4)nn23)no1,CHEMBL307111,9.19
+CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2,CHEMBL17468,7.97
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3CC2)n1,CHEMBL303718,7.07
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1,CHEMBL306422,9.24
+Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL68712,7.377000000000001
+Cc1cccc(COc2nn3c(-c4ccoc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL62630,7.2
+Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1,CHEMBL69605,8.55
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.375
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1,CHEMBL68490,8.8
+CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,CHEMBL13280,8.72
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL282623,6.37
+O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,CHEMBL287442,6.01
+O=C(C(=O)N1CCc2ccccc2C1)c1c[nH]c2ccccc12,CHEMBL29213,6.17
+CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL27794,7.4
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12,CHEMBL281480,6.57
+CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(C)cccc12,CHEMBL29277,6.36
+CCOC(=O)[C@@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL284418,6.7
+O=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccccc12,CHEMBL31796,5.89
+CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL286471,6.41
+CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL285328,7.66
+O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,CHEMBL282740,6.74
+O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,CHEMBL283850,6.08
+CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL28730,7.72
+CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,CHEMBL28782,6.6
+Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123882,7.16
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1,CHEMBL123406,7.71
+Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421257,6.78
+Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331907,7.18
+Cc1cccc(COc2nn3c(-c4ccccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL331657,6.64
+Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1,CHEMBL122619,8.01
+Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,CHEMBL334246,7.44
+Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1,CHEMBL122154,8.46
+Cc1noc(-c2nnc3c4c(c(OCc5cccc[n+]5[O-])nn23)C2CCC4CC2)n1,CHEMBL121370,7.81
+Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,CHEMBL421072,6.56
+Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123530,7.24
+Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1,CHEMBL334138,7.42
+Cc1noc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)n1,CHEMBL121277,8.24
+Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1,CHEMBL331569,7.53
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5Br)nn23)C2CCC4CC2)n1,CHEMBL121088,7.78
+Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123072,6.68
+Cc1cccc(COc2nn3c(-c4cnccn4)nnc3c3c2C2CCC3CC2)n1,CHEMBL121603,7.55
+Cc1noc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL121275,8.07
+CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1,CHEMBL332893,7.47
+Cc1noc(-c2nnc3c4c(c(OCc5ccccc5C#N)nn23)C2CCC4CC2)n1,CHEMBL120838,8.54
+Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,CHEMBL123471,6.69
+CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1,CHEMBL318873,7.7
+CCSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95541,7.89
+COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)CC(C)C3)ns1,CHEMBL98649,7.47
+CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1,CHEMBL95746,8.27
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL95188,7.22
+CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,CHEMBL95724,7.2
+CCSc1ccc(-c2ncco2)c2c1C(=O)CC(C)C2,CHEMBL320395,7.42
+CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2,CHEMBL318370,7.72
+CCSc1ccc(-c2cccc[n+]2[O-])c2c1C(=O)CC(C)C2,CHEMBL100469,6.57
+CC1CC(=O)c2c(SCc3cn[nH]n3)ccc(-c3nccs3)c2C1,CHEMBL95760,7.24
+CCSc1ccc(-c2nccs2)c2c1C(=O)CC(C)C2,CHEMBL95443,7.82
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1,CHEMBL56098,8.18
+COc1ccc(-c2cc(-c3nc(C)ns3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL56761,7.38
+COc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55570,6.62
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,CHEMBL56746,6.22
+COc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1,CHEMBL301010,5.74
+COc1ccc(-c2cc(-c3nccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59478,7.43
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,CHEMBL413325,6.49
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL294600,8.07
+COc1ccc(-c2cc(-c3cccs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55022,7.64
+CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,CHEMBL17603,7.8
+CC(C)(C)OC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL307783,7.82
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL415290,7.79
+C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144849,10.52
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2,CHEMBL267665,8.7
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(OCC)ccc1-2,CHEMBL416450,7.44
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C#CC[Si](C)(C)C)cc2C1=O,CHEMBL335960,6.41
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL335888,7.07
+CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1,CHEMBL83581,6.67
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#C[Si](C)(C)C)ccc21,CHEMBL173347,7.14
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL336636,7.15
+CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43718,5.82
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL336728,7.92
+Clc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL439945,7.91
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1,CHEMBL3144698,9.68
+O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2N1,CHEMBL408797,7.51
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Br)cc2C1=O,CHEMBL6655,7.97
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C(C)C)no3)ncn1-2,CHEMBL133705,7.06
+CCCCCCCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(CC)c3c2c1,CHEMBL314788,4.53
+c1ccc(COc2ccc3c(c2)[nH]c2c4c5ccccc5nc-4c[nH]c23)cc1,CHEMBL431973,5.52
+C#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144696,10.22
+Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,CHEMBL646,9.23
+CCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL299250,7.6
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N+](=O)[O-])cc2C1=O,CHEMBL7290,7.3
+CCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL47853,4.52
+CCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL45174,5.54
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1CC,CHEMBL173329,8.54
+c1ccc2c(c1)[nH]c1cnc3c(nc4ccccn43)c12,CHEMBL367639,6.64
+O=C1CN=C(c2cccs2)c2cc(F)ccc2N1,CHEMBL368130,6.47
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N=C=S)cc2C1=O,CHEMBL6814,7.47
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL339163,7.36
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL130416,7.22
+O=[N+]([O-])c1ccc2[nH]c3cnc4c5ccccc5[nH]c4c3c2c1,CHEMBL78766,6.3
+CCCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL66902,6.71
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#N)ccc1-2,CHEMBL132529,7.35
+COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL3144841,10.0
+COc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12,CHEMBL3144617,8.88
+O=C1CN=C(c2ccccc2)c2ccccc2N1,CHEMBL13458,6.63
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,CHEMBL407,9.05
+Clc1cc2c3ccccc3nc-2c[nH]1,CHEMBL298561,6.9
+CCCOc1ccc2c(c1)c1c(COC)c(C(=O)OCC)ncc1n2C,CHEMBL420044,6.98
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL336377,7.54
+COC(=O)c1cc2c3cc(NCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL268262,7.52
+c1ccc2c(c1)=Nc1cnc3c(c1=2)=Nc1cnccc1-3,CHEMBL173938,7.62
+CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1,CHEMBL307202,8.68
+CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc1-2,CHEMBL341398,7.89
+CCCOc1ccc2[nH]c3cnc(C(=O)NN)c(COC)c3c2c1,CHEMBL368179,6.37
+COC(=O)c1cc2c3cc(NC4CCCCC4)ccc3nc-2c[nH]1,CHEMBL177076,7.76
+CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c-2c1COC,CHEMBL10195,8.27
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N-][N+]#N)cc2C1=O,CHEMBL6421,7.66
+CCOC(=O)c1[nH]cc2nc3ccccc3c-2c1COC,CHEMBL10534,8.55
+CCCOc1ccc2[nH]c3cnc(N)c(COC)c3c2c1,CHEMBL84921,6.27
+CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC,CHEMBL1518572,8.38
+c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,CHEMBL301605,8.92
+O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1,CHEMBL3144615,9.77
+CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21,CHEMBL275115,6.51
+CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3nc-2c[nH]1,CHEMBL10597,6.77
+CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c-2c1COC,CHEMBL10483,8.92
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2,CHEMBL366947,9.19
+CCCC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL69719,7.8
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C,CHEMBL174535,7.38
+COC(=O)c1cc2c3cc(NCc4ccc5ccccc5c4)ccc3nc-2c[nH]1,CHEMBL368171,6.69
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL415293,7.67
+CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21,CHEMBL368768,8.03
+C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL133272,7.99
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC,CHEMBL273464,7.11
+COc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL141039,7.93
+C[Si](C)(C)C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1,CHEMBL3144795,8.43
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL339172,6.82
+COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12,CHEMBL454095,7.82
+COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL172839,7.08
+C=C=Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL57655,8.14
+Fc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12,CHEMBL79945,7.98
+CN1C(=O)CN=C(c2cccs2)c2cc(F)ccc21,CHEMBL369358,6.67
+CCOC(=O)c1cc2c3ccccc3nc-2c[nH]1,CHEMBL11709,8.31
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2,CHEMBL129855,6.91
+C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(C)no3)ncn1-2,CHEMBL337166,7.25
+CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58570,7.25
+CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C,CHEMBL46957,4.9
+CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1,CHEMBL49141,8.92
+c1cnc2c(c1)-c1ncc3c(c1=N2)=c1ccccc1=N3,CHEMBL173193,7.94
+O=c1c2cnc3ccccc3c2[nH]n1-c1ccccc1,CHEMBL19732,10.1
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(CC)ccc1-2,CHEMBL58385,7.57
+CCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43724,5.54
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1CC,CHEMBL435550,6.54
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1c(C(=O)OCC)ncn1-2,CHEMBL133112,6.5
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(-c3nc(CC)no3)ncn1-2,CHEMBL134175,7.4
+CC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL43725,4.47
+O=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccccc1,CHEMBL3144697,10.1
+CCCOc1cc2c3ccccc3nc-2c[nH]1,CHEMBL52750,7.28
+N#CSc1ccc2[nH]c3cnc(SC#N)cc3c2c1,CHEMBL175427,6.37
+S=C=Nc1cc2c3ccccc3nc-2c[nH]1,CHEMBL53651,6.92
+O=[N+]([O-])c1ccc2[nH]c3cnc([N+](=O)[O-])cc3c2c1,CHEMBL173325,7.08
+CN1Cc2c(C(=O)OCC3CC3)ncn2-c2ccc(Cl)cc2C1=O,CHEMBL6440,7.32
+CC(C)COc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269093,6.91
+c1cnc2c(c1)N=c1c-2ncc2c1=c1ccccc1=N2,CHEMBL172866,6.93
+CN1C(=O)CN=C(c2ccccc2)c2ccccc21,CHEMBL73096,6.86
+CC#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL59180,7.65
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Br)ccc1-2,CHEMBL133219,7.57
+CN1C(=O)CN=C(c2cccs2)c2cc(Cl)ccc21,CHEMBL173339,7.88
+CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(I)cc2C1=O,CHEMBL6659,7.95
+CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC,CHEMBL85861,7.73
+Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL55565,8.1
+COc1ccc(-c2cc(-c3ncc(C)s3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL299061,6.42
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,CHEMBL301195,6.47
+COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,CHEMBL298732,6.33
+COc1ccc(-c2cc(-c3ccsc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL59197,7.29
+COc1ccc(-c2cc(-c3noc(C)n3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL55467,5.96
+COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1,CHEMBL264235,8.3
+COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O,CHEMBL291335,7.12
+COc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL53619,6.89
+COc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54422,7.62
+Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,CHEMBL59427,7.7
+COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1,CHEMBL54368,7.42
+CC(C)Oc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70526,6.74
+CSc1sc(-c2nccs2)c2c1C(=O)CC(C)(C)C2,CHEMBL277504,7.36
+CSc1sc(-c2ccncc2)c2c1C(=O)CC(C)(C)C2,CHEMBL276508,7.37
+CC1(C)CC(=O)c2c(SCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL17466,7.68
+CCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL72914,6.79
+CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1,CHEMBL17547,8.28
+CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL308077,7.55
+CSc1sc(-c2ncn(C)n2)c2c1C(=O)CC(C)(C)C2,CHEMBL432542,7.31
+CCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL274281,7.8
+CSc1sc(-c2cccnc2)c2c1C(=O)CC(C)(C)C2,CHEMBL17574,7.51
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CHEMBL420929,7.32
+CCCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL70812,6.74
+CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL17354,7.25
+CSc1sc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,CHEMBL17698,7.59
+CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL69946,8.12
+CC(C)Nc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL312118,7.36
+CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1,CHEMBL302979,7.34
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,CHEMBL73486,7.41
+CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL308481,7.72
+CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2,CHEMBL275645,7.92
+CSc1sc(-c2cncs2)c2c1C(=O)CC(C)(C)C2,CHEMBL73052,6.79
+CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3ccn[nH]3)c2C1,CHEMBL17424,7.72
+COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2,CHEMBL83464,7.08
+CCC(C)Oc1cc2c3ccccc3nc-2c[nH]1,CHEMBL86231,6.09
+CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1CC,CHEMBL87437,6.54
+OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179545,6.51
+OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178992,7.47
+c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178942,7.612999999999999
+COc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL362869,7.1
+c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,CHEMBL178856,7.37
+Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL362282,8.12
+COc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL178830,7.13
+Cc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178508,6.55
+Cc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1,CHEMBL179000,6.68
+Cc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL427313,6.92
+c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL361340,7.74
+Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366537,8.15
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1,CHEMBL361015,7.82
+CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360122,8.64
+Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1,CHEMBL178831,7.8
+Fc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179048,6.74
+c1ccc(COc2nn3c(-c4cccnc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL361105,7.27
+c1ccc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL368905,6.49
+c1ccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL360966,7.28
+c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL361114,8.77
+Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL366471,7.46
+c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,CHEMBL179699,7.46
+c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,CHEMBL360912,7.68
+c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL426234,6.96
+Cc1csc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1,CHEMBL179430,6.85
+c1ccc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178738,7.62
+c1ccc(-c2nnc3c4c(c(OCc5cccnc5)nn23)C2CCC4CC2)cc1,CHEMBL362421,7.17
+Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178242,7.4
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,CHEMBL362620,7.55
+Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359545,7.68
+Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1,CHEMBL361561,6.89
+Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL178837,6.6
+c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,CHEMBL179700,7.09
+Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179474,8.7
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360733,7.72
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nc1,CHEMBL178710,7.77
+Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,CHEMBL179513,6.96
+c1ccc(-c2nnc3c4c(c(OCc5nnc[nH]5)nn23)C2CCC4CC2)cc1,CHEMBL359650,7.6
+Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL366468,7.795
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179712,8.28
+CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL179924,7.3
+CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL362485,8.0
+Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL369035,8.06
+Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,CHEMBL178677,8.47
+CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL361129,8.6
+Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL440558,7.23
+Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL175929,7.24
+Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,CHEMBL361786,8.4
+N#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179475,8.23
+COC(=O)c1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359906,7.52
+Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL178632,6.33
+COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL180416,8.04
+CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179414,8.55
+COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL175475,8.01
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,CHEMBL179558,8.25
+c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,CHEMBL180464,7.37
+c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL360311,7.0
+c1ccc(-c2nnc3c4c(c(OCc5cccnn5)nn23)C2CCC4CC2)cc1,CHEMBL180174,7.85
+c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,CHEMBL361597,7.17
+c1ccc(-c2nnc3c4c(c(OCc5ccncn5)nn23)C2CCC4CC2)cc1,CHEMBL179777,8.09
+c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1,CHEMBL178956,8.19
+Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL175886,7.66
+Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1,CHEMBL362409,7.38
+c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,CHEMBL178783,8.12
+c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL178188,6.7
+c1ccc(-c2nnc3c4c(c(OCc5cnc6ccccc6n5)nn23)C2CCC4CC2)cc1,CHEMBL361200,7.47
+c1ccc(-c2nnc3c4c(c(OCCc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL179810,6.57
+Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,CHEMBL180417,6.72
+CCO[n+]1ccccc1Oc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL359616,6.41
+c1ccc(-c2nnc3c4c(c(COc5ccccn5)nn23)C2CCC4CC2)cc1,CHEMBL180224,6.64
+O=C(Nc1ccccn1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360345,6.54
+N#Cc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL179509,7.08
+N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL434138,6.74
+N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179769,6.96
+OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL360113,6.96
+OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL179737,7.12
+CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CHEMBL178670,7.19
+CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,CHEMBL178840,7.39
+CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,CHEMBL180215,6.59
+O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,CHEMBL362014,6.32
+CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,CHEMBL360036,6.8
+O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,CHEMBL178303,6.8
+CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,CHEMBL359613,7.14
+Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,CHEMBL363211,9.07
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,CHEMBL373250,9.15
+CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,CHEMBL200177,9.515
+CCO/N=C(\C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1,CHEMBL381625,7.865
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL199957,9.255
+N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL381380,9.28
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F,CHEMBL369902,9.07
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL436768,8.48
+CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1,CHEMBL201472,8.42
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cc(F)cc4C#N)c3)cnc2n1,CHEMBL202343,9.0
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1,CHEMBL204696,8.74
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1,CHEMBL204701,8.68
+N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F,CHEMBL427207,9.1
+Cc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1,CHEMBL204319,8.92
+Cc1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL199411,8.43
+Cc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1,CHEMBL202070,7.72
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4C#N)c3)cnc2n1,CHEMBL203455,8.81
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncccc4C#N)c3)cnc2n1,CHEMBL203785,8.07
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1,CHEMBL203897,8.46
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1,CHEMBL203732,8.64
+CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1,CHEMBL204156,9.04
+Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1,CHEMBL202789,7.96
+Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1,CHEMBL203896,8.34
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,CHEMBL375742,9.6
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CHEMBL224561,9.14
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,CHEMBL224608,7.85
+Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,CHEMBL224175,8.59
+c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,CHEMBL224134,8.54
+Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1077381,6.66
+Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2,CHEMBL1077391,7.62
+Cc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078580,6.73
+Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1078985,7.62
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2,CHEMBL1080412,7.09
+FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2,CHEMBL1080588,6.73
+Cc1ncn2c1Cn1nc(CC3CC3)nc1-c1cc(Br)ccc1-2,CHEMBL1080398,6.39
+Cc1noc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)n1,CHEMBL1081861,6.5
+Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1,CHEMBL1080576,6.98
+Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2,CHEMBL1080575,6.17
+COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1080397,6.16
+Cc1ncn2c1Cn1nc(C(C)(C)C)nc1-c1cc(Br)ccc1-2,CHEMBL1080396,5.97
+Cc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2,CHEMBL1079272,5.5
+CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C,CHEMBL1271047,6.86
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269930,7.35
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1270037,7.52
+C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1,CHEMBL1270038,6.95
+CC(C)(C)OC(=O)c1ccc2[nH]c3ccc(C#Cc4ccc5[nH]c6ccc(C(=O)OC(C)(C)C)cc6c5c4)cc3c2c1,CHEMBL1269785,6.91
+C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1270143,7.23
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(C#C[Si](C)(C)C)cc12,CHEMBL1269816,8.35
+C#Cc1ccc2[nH]c3cnc(C(=O)OCC(F)(F)F)cc3c2c1,CHEMBL1269929,7.35
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270144,7.41
+CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1269786,7.51
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12,CHEMBL1270247,6.52
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270248,7.89
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12,CHEMBL1270347,6.84
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270348,6.78
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12,CHEMBL1270442,7.89
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270443,8.69
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12,CHEMBL1270538,6.86
+CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1269058,7.57
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C(C)(C)C)cc12,CHEMBL1270539,8.05
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12,CHEMBL1270540,8.34
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269059,6.91
+CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12,CHEMBL1269060,5.98
+O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270637,7.61
+O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270638,8.1
+O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270639,7.48
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl,CHEMBL1270739,5.7
+CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269061,7.22
+CCC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270740,6.0
+O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1270741,6.75
+CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1,CHEMBL1270841,6.0
+CC/C=C/C=C/Oc1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269094,6.09
+C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270843,6.03
+C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F,CHEMBL1270943,6.46
+CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269148,7.23
+CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12,CHEMBL1269149,7.49
+C#Cc1ccc2c(c1)c1cc(C(=O)OC(C)(C)C)ncc1n2C(=O)OC(C)(C)C,CHEMBL1270944,5.3
+CCCNC(=O)c1nnc2c(-c3ncccn3)cccc2c1N,CHEMBL1631468,6.42
+Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3ncccn3)cccc12,CHEMBL1631466,8.08
+Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3cncnc3)cccc12,CHEMBL1631469,8.82
+CCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N,CHEMBL1631470,8.22
+Cc1ccc2nc(=O)n3c(=O)n(-c4ccccc4)[nH]c3c2c1,CHEMBL1644823,9.0
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccccc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644825,7.19
+Cc1ccc(-n2[nH]c3c4cc(CCc5ccsc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644826,8.77
+Cc1ccc(-n2[nH]c3c4cc(CCc5cccnc5)ccc4nc(=O)n3c2=O)cc1,CHEMBL1644828,8.36
+CCCn1cc2[nH]c3c(CC(C)(C)C)cccc3c(N)c-2c1=O,CHEMBL1783244,8.0
+CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N,CHEMBL1783245,9.0
+CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N,CHEMBL1783246,8.18
+CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N,CHEMBL1783247,8.26
+CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N,CHEMBL1783248,8.07
+CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N,CHEMBL1783249,8.14
+CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N,CHEMBL1783250,8.71
+CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N,CHEMBL1783251,8.49
+CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N,CHEMBL1783252,8.05
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c1,CHEMBL1783253,8.0
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c1,CHEMBL1783254,7.86
+CCCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,CHEMBL1783255,7.82
+CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,CHEMBL1783256,7.7
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c1,CHEMBL1783257,7.58
+CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,CHEMBL1783258,7.53
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1,CHEMBL1783259,7.25
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c1,CHEMBL1783260,7.04
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c1,CHEMBL1783261,6.96
+CNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,CHEMBL1783262,6.89
+CCC(C)NC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,CHEMBL1783263,6.27
+COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c1,CHEMBL1783264,5.45
+COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC(C)C5)cc-4[nH]c23)c1,CHEMBL1783265,7.84
+COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CCCC5)cc-4[nH]c23)c1,CHEMBL1783266,7.89
+CCn1cc2[nH]c3c(-c4cc(OC)ccc4OC)cccc3c(N)c-2c1=O,CHEMBL1783267,7.22
+COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C)cc-4[nH]c23)c1,CHEMBL1783268,6.58
+COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CCC5)cc-4[nH]c23)c1,CHEMBL1783269,8.33
+CCC(C)(C)n1cc2[nH]c3c(-c4cc(OC)ccc4OC)cccc3c(N)c-2c1=O,CHEMBL1783236,5.73
+COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c23)c1,CHEMBL1783270,7.48
+COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1,CHEMBL1783271,8.94
+CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,CHEMBL1783272,8.79
+COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1,CHEMBL1783273,8.45
+CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,CHEMBL1783274,8.24
+COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1,CHEMBL1783275,7.25
+COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CCC5)cc-4[nH]c23)c1,CHEMBL1783276,9.0
+COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c23)c1,CHEMBL1783277,7.86
+CCn1cc2[nH]c3c(-c4cc(OC)ccc4OC)c(F)ccc3c(N)c-2c1=O,CHEMBL1783278,7.86
+CCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N,CHEMBL1783279,8.13
+CCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N,CHEMBL1783280,8.65
+CCCNC(=O)c1nnc2c(-c3cc(C)ccc3OC)cccc2c1N,CHEMBL1783281,8.21
+CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N,CHEMBL1783282,9.51
+CCCNC(=O)c1nnc2c(-c3ccc(OC)cc3OC)c(F)ccc2c1N,CHEMBL1783283,9.39
+COc1ccc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1,CHEMBL1783284,9.42
+COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1,CHEMBL1783285,9.25
+COc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12,CHEMBL1783286,8.54
+COc1ncccc1-c1cccc2c(N)c3c(=O)n(C4CCC4)cc-3[nH]c12,CHEMBL1783287,8.62
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2,CHEMBL2261632,7.47
+O=C(OCC(F)(F)F)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261631,7.26
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261633,7.26
+C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2,CHEMBL2261634,6.76
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2,CHEMBL2261916,6.89
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3cccs3)ccc1-2,CHEMBL2261917,6.92
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2,CHEMBL2261918,7.79
+C=Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL2261919,7.46
+CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2,CHEMBL2261922,6.91
diff --git a/chembl_200/CHEMBL210.csv b/chembl_200/CHEMBL210.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7f04d411849dede60e2d3943dfbfdb9530119e9a
--- /dev/null
+++ b/chembl_200/CHEMBL210.csv
@@ -0,0 +1,384 @@
+CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O,CHEMBL354906,5.68
+CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O,CHEMBL368584,4.13
+CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(=O)[nH]c45)CC3)cc2)S1,CHEMBL177442,8.14
+CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,CHEMBL12998,6.8
+COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I,CHEMBL307647,6.37
+CNCC(O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL29141,8.3
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL55528,5.93
+C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL39596,6.95
+C[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL290752,4.77
+CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1,CHEMBL40966,4.37
+C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL38569,6.77
+C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL38538,5.65
+C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL41113,6.59
+COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1,CHEMBL38486,8.49
+C[C@H](Cc1ccc(OCP(C)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL39334,4.13
+C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1,CHEMBL41948,4.4
+C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1,CHEMBL72168,4.86
+O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1,CHEMBL308150,5.63
+C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1,CHEMBL72169,5.8
+C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1,CHEMBL72060,4.94
+C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1,CHEMBL73220,5.91
+C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1,CHEMBL419085,6.82
+COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC,CHEMBL73917,6.21
+COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I,CHEMBL308351,8.69
+COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC,CHEMBL299175,7.36
+CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I,CHEMBL332964,8.11
+Oc1cc2c(cc1O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2,CHEMBL333438,5.36
+Oc1cc2c(cc1O)C(Cc1cc(I)c(O)c(I)c1)NCC2,CHEMBL121964,7.93
+CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I,CHEMBL122992,8.06
+O=C(Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I)c1ccccc1,CHEMBL121704,8.7
+Oc1cc2c(cc1O)C(Cc1cc(I)c(I)c(I)c1)NCC2,CHEMBL120278,8.82
+Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2,CHEMBL122757,9.52
+Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I,CHEMBL122990,8.19
+Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I,CHEMBL123596,8.81
+CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O,CHEMBL317003,6.74
+CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1,CHEMBL99599,6.85
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,CHEMBL25856,5.92
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,5.41
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,5.34
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,6.13
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,5.96
+CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,CHEMBL32800,6.9
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.575
+C=CCc1ccccc1OCC(O)CNC(C)C,CHEMBL266195,9.0
+CC(C)NCC(O)COc1cccc2[nH]ccc12,CHEMBL500,9.41
+CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,CHEMBL499,9.7
+CC(C)NC[C@@H](O)COc1cccc2ccccc12,CHEMBL275742,7.28
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,9.44
+CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,CHEMBL471,6.53
+CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O,CHEMBL36568,4.94
+CC(C)[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O,CHEMBL35282,5.44
+CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O,CHEMBL285881,5.47
+C[C@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1,CHEMBL32590,4.1
+CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O,CHEMBL32599,6.32
+CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12,CHEMBL36060,10.0
+O=CNc1cc([C@@H](O)CNCCc2ccc(Oc3ccccc3)cc2)ccc1O,CHEMBL185262,7.45
+O=CNc1cc([C@@H](O)CNCCc2ccc(OCCc3ccccc3)cc2)ccc1O,CHEMBL363260,8.11
+O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCc3ccccc3)cc2)ccc1O,CHEMBL363329,8.23
+O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCCc3ccccc3)cc2)ccc1O,CHEMBL185052,8.04
+O=CNc1cc([C@@H](O)CNCCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O,CHEMBL184538,7.94
+O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCCc3ccccc3)c2)ccc1O,CHEMBL440561,8.07
+O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCOc3ccccc3)c2)ccc1O,CHEMBL183948,8.48
+COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12,CHEMBL361505,7.6
+C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1,CHEMBL185836,7.29
+C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1,CHEMBL184407,7.32
+C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1,CHEMBL188196,6.8
+CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12,CHEMBL188622,6.65
+CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12,CHEMBL186247,7.15
+C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1,CHEMBL442225,7.7
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,5.7
+O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1,CHEMBL180700,6.0
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.22
+O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1,CHEMBL208427,5.8
+CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1,CHEMBL225775,6.34
+CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1,CHEMBL226349,7.81
+CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1,CHEMBL226348,7.09
+CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1,CHEMBL387852,8.55
+C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1,CHEMBL226293,6.3
+C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1,CHEMBL387851,7.86
+Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1,CHEMBL389902,4.69
+Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1,CHEMBL229620,4.98
+CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL389734,4.25
+CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229615,4.5
+CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL425658,5.03
+C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL389519,5.6
+C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL388177,5.75
+C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229614,6.47
+C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229401,6.62
+C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL229400,4.54
+C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL229443,4.51
+C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229442,5.22
+C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229391,5.73
+C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL229390,4.54
+C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1,CHEMBL387825,4.64
+C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL229388,5.1
+C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL389629,5.53
+O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL393648,8.43
+O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL236514,8.18
+COc1cccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1,CHEMBL398320,5.57
+CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O,CHEMBL250553,6.99
+COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O,CHEMBL400947,5.97
+CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O,CHEMBL249359,7.42
+COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL440961,6.09
+COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL398557,7.62
+COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL399329,7.18
+COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL248548,5.82
+COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1,CHEMBL251581,6.29
+COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1,CHEMBL251580,5.51
+COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1,CHEMBL398322,6.46
+COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL400067,6.41
+COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL251764,6.92
+COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL398241,7.59
+COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,CHEMBL447786,7.24
+CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O,CHEMBL251555,7.15
+COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1,CHEMBL251554,6.7
+COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1,CHEMBL251347,6.55
+O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1,CHEMBL251392,8.0
+O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1,CHEMBL250144,6.3
+Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1,CHEMBL251599,6.92
+O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1,CHEMBL249336,8.0
+OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1,CHEMBL251180,7.52
+CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1,CHEMBL250352,7.31
+CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1,CHEMBL400049,7.43
+Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1,CHEMBL249534,7.68
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,5.64
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,5.62
+CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL324665,9.94
+N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1,CHEMBL314639,7.24
+CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12,CHEMBL444553,7.63
+Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12,CHEMBL461463,9.515
+CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12,CHEMBL513104,9.84
+CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O,CHEMBL462313,6.49
+CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O,CHEMBL2218907,6.24
+CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1,CHEMBL509336,6.74
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,5.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,6.3
+NCCc1ccc(O)c(O)c1,CHEMBL59,4.21
+Cc1nc2c3c(nc(Cc4ccccc4)n2n1)CCNCC3,CHEMBL565547,5.12
+NC[C@H](O)c1cc(O)c(O)cc1F,CHEMBL40317,4.8
+COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1,CHEMBL1094785,8.5
+COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,CHEMBL1363,7.615
+CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1094487,6.16
+COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1094486,6.47
+CCCCc1cc2c(cc1CCCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1095779,6.95
+CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1095778,6.92
+Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1094483,6.28
+O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1,CHEMBL1094323,6.66
+Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1,CHEMBL1083994,7.1
+C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1086005,7.1
+COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1,CHEMBL1083995,6.15
+CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1083996,6.64
+C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1,CHEMBL1084274,5.48
+COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1,CHEMBL1084526,6.52
+O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1,CHEMBL1084527,5.9
+O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1,CHEMBL1083368,6.92
+O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1,CHEMBL1084772,8.52
+Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1,CHEMBL1084773,6.96
+C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1083672,6.82
+CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1083053,7.15
+C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1083364,7.4
+CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL1085013,7.89
+C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1,CHEMBL1085014,6.87
+C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1,CHEMBL1083366,7.11
+COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O,CHEMBL1083666,7.42
+C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL1085016,7.3
+CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL1085270,7.77
+C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1,CHEMBL1085009,7.1
+CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1,CHEMBL1085010,8.05
+C=CCc1ccccc1OCC(O)CN1CCOCC1,CHEMBL1083667,8.15
+CC(C)c1ccccc1OCC(O)CN1CCOCC1,CHEMBL1083668,8.92
+C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1,CHEMBL1083669,8.62
+CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1,CHEMBL1083670,7.77
+O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1,CHEMBL1084706,7.43
+COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O,CHEMBL1084707,8.1
+O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1,CHEMBL1083363,7.24
+OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1,CHEMBL1086542,9.3
+COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,CHEMBL1082500,9.7
+OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1,CHEMBL1082501,10.0
+O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1,CHEMBL1082827,9.7
+COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,CHEMBL1082828,9.7
+O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1,CHEMBL1086077,9.52
+CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL1221540,7.61
+C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1,CHEMBL1221541,9.0
+C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1,CHEMBL1221542,7.6
+CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL1221543,8.72
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1,CHEMBL1221586,7.58
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1,CHEMBL1221587,8.74
+Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL1221588,7.7
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1,CHEMBL1221589,8.92
+CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL1221590,9.4
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1,CHEMBL1221634,8.03
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1,CHEMBL1221635,7.52
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1,CHEMBL1221636,8.74
+C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1,CHEMBL1221638,7.31
+O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1,CHEMBL1221679,7.93
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1,CHEMBL1221680,9.3
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1,CHEMBL1221681,8.405
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1,CHEMBL1221682,9.16
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1,CHEMBL1221683,9.1
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1,CHEMBL1221732,8.14
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1,CHEMBL1221733,6.44
+CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2,CHEMBL1221734,7.39
+CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2,CHEMBL1221735,8.42
+O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1,CHEMBL1221736,8.4
+O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1,CHEMBL1221801,6.82
+O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1,CHEMBL1221802,8.2
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1,CHEMBL1221803,8.36
+CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1,CHEMBL1221804,9.52
+O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1,CHEMBL1221861,8.52
+CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL1221862,7.74
+C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1,CHEMBL1221637,8.57
+OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O,CHEMBL1258707,6.78
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1,CHEMBL1258706,6.02
+OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1,CHEMBL1258599,7.85
+OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O,CHEMBL1258598,6.36
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1,CHEMBL1257674,6.23
+OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1,CHEMBL1258486,6.72
+Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12,CHEMBL1258485,6.65
+Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12,CHEMBL1258373,5.59
+Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12,CHEMBL1258372,7.1
+Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12,CHEMBL1258260,7.03
+Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12,CHEMBL1258259,6.57
+Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12,CHEMBL1258144,7.0
+OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O,CHEMBL1258143,7.7
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1,CHEMBL1258026,7.55
+OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1,CHEMBL1258025,8.4
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1,CHEMBL1257916,6.76
+OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1,CHEMBL1257915,7.72
+CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O,CHEMBL1257797,7.96
+CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1257676,8.15
+COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O,CHEMBL1257675,8.31
+OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O,CHEMBL1257555,7.85
+OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1257554,7.6
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O,CHEMBL1257438,6.06
+O=C(O)c1ccc(O)cc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1257437,6.29
+OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O,CHEMBL1257324,6.59
+O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1,CHEMBL1257204,6.87
+CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258940,6.43
+CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258825,6.93
+NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258824,6.86
+N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258705,7.38
+CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1258704,8.0
+C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1258597,8.22
+CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1,CHEMBL1258596,7.06
+CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258484,8.0
+OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1,CHEMBL1258483,7.03
+OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258371,7.74
+OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1,CHEMBL1258370,7.26
+OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1,CHEMBL1258258,7.52
+OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F,CHEMBL1258257,7.6
+OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1,CHEMBL1258142,7.17
+COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1258024,7.52
+COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,CHEMBL1258023,7.96
+Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1,CHEMBL1257914,7.09
+Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1,CHEMBL1257913,8.22
+OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1,CHEMBL1255596,8.05
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683931,7.72
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683932,8.0
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683933,8.47
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683934,8.46
+O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O,CHEMBL1683935,7.68
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1,CHEMBL1683936,7.21
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683938,7.89
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1,CHEMBL1683939,7.22
+O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683940,6.94
+O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2,CHEMBL1683941,6.91
+C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12,CHEMBL1683942,7.44
+C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL1800961,6.39
+C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1,CHEMBL1800962,6.29
+OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O,CHEMBL1800935,6.66
+CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C,CHEMBL1233771,8.05
+CC(O)CNCCOc1ccccc1-c1ccccc1,CHEMBL1626224,6.33
+COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1,CHEMBL1824264,5.11
+CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,CHEMBL24,5.0
+Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,CHEMBL357995,7.85
+CC(C)NC[C@H](O)COc1cccc2[nH]ccc12,CHEMBL117405,8.97
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,5.72
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,5.72
+CC(C)NCC(O)c1ccccc1Cl,CHEMBL1902627,5.86
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.98
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,9.78
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,7.44
+CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,CHEMBL1201237,9.26
+COCCc1ccc(OCC(O)CNC(C)C)cc1,CHEMBL13,5.75
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,7.54
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.62
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,7.96
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,5.68
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,CHEMBL1630578,4.81
+CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2,CHEMBL2068577,5.18
+CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2,CHEMBL2068576,5.41
+CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,CHEMBL1002,5.332999999999999
+O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O,CHEMBL1940832,8.5
+Cc1nc2ccc(O)c(CN(C)C)c2[nH]1,CHEMBL2070835,4.6
+CC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12,CHEMBL1622248,4.4
+Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCO)CC2)c1,CHEMBL1620339,4.4
+Cc1ccc(C)c(OCC(O)CNC2CCCC2)c1,CHEMBL1907082,5.7
+Cc1ccc(C(C)C)c(OCC(O)CN2CCCCC2)c1,CHEMBL2070834,6.1
+CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088201,9.22
+O=c1[nH]c2c(O)ccc(CCNCCS(=O)(=O)CCCOCCc3ccccc3)c2s1,CHEMBL82663,8.4
+CCc1cc2c(cc1CC)CC(NCC(O)c1c(C)cc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088195,6.29
+CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2,CHEMBL2088196,6.42
+CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2,CHEMBL2088197,7.35
+CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088198,6.58
+CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088199,7.71
+Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088200,6.76
+CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL2088202,7.12
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,6.25
+CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL1478530,7.48
+OCc1cc(C(O)CNCCc2ccc(Br)cc2)ccc1O,CHEMBL3290971,4.5
+OCc1cc(C(O)CNCCc2ccc(N3CCC(c4ccccc4)CC3)cc2)ccc1O,CHEMBL3290974,4.9
+OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O,CHEMBL3290975,4.8
+O=C(c1ccccc1)C1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1,CHEMBL3290977,4.4
+OCc1cc(C(O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O,CHEMBL3290978,4.5
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O,CHEMBL3290982,6.5
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O,CHEMBL3290983,6.5
+COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1,CHEMBL3290984,5.9
+OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O,CHEMBL3290985,5.2
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O,CHEMBL3290986,6.1
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O,CHEMBL3290987,6.5
+OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O,CHEMBL3290988,6.5
+COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1,CHEMBL3290989,7.2
+COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1,CHEMBL3290990,6.2
+CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1,CHEMBL3290991,6.8
+CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1,CHEMBL3290992,7.1
+CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1,CHEMBL3290993,7.0
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O,CHEMBL3290994,5.8
+OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O,CHEMBL3290995,5.9
+COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1,CHEMBL3290996,6.6
+Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C,CHEMBL3323671,7.49
+CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323670,8.77
+CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323669,8.41
+CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323668,8.85
+CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323667,8.17
+CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323666,8.49
+CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323665,7.72
+CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323664,6.58
+CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323663,7.92
+Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323662,6.83
+Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323661,7.82
+Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL3323660,8.15
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1,CHEMBL3323659,8.26
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1,CHEMBL3323658,9.4
+CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL3323657,8.38
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1,CHEMBL3323656,7.01
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1,CHEMBL3323655,8.7
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1,CHEMBL3323654,9.22
+COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1,CHEMBL3290999,8.2
+COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN,CHEMBL3298324,8.5
+COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1,CHEMBL3298325,8.8
+COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1,CHEMBL3298326,8.9
+CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298327,7.9
+NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298328,8.2
+NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298329,8.3
+NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298330,8.3
+NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298691,8.2
+CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298692,7.7
+O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1,CHEMBL3298762,8.0
+O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1,CHEMBL3298831,7.7
+CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1,CHEMBL3298832,7.5
+O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1,CHEMBL3298897,8.0
+CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298986,8.2
+CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1,CHEMBL3298987,9.0
+CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1,CHEMBL3298213,7.6
+N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1,CHEMBL3704833,4.66
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,6.09
+COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800400,9.32
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800468,7.64
+COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3799455,8.2
+COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800303,7.74
+COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3799427,7.33
+COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800636,7.28
+COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3798748,9.6
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3797205,7.89
+COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3800341,8.55
+COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL3797876,7.01
+COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1,CHEMBL3799593,6.07
+COc1ccccc1OCCNCCc1ccc(O)c(O)c1,CHEMBL3797758,6.21
+CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21,CHEMBL240773,4.0
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,4.4
+CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL301559,4.07
+CCCN[C@@H]1CCC2N=C(N)SC2C1,CHEMBL3799986,4.0
+COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12,CHEMBL3799125,10.47
+COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12,CHEMBL3798017,9.06
diff --git a/chembl_200/CHEMBL211.csv b/chembl_200/CHEMBL211.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7fa889dad22eec312bc12f186753d3e12c22f37b
--- /dev/null
+++ b/chembl_200/CHEMBL211.csv
@@ -0,0 +1,988 @@
+O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL314831,7.7
+O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85892,8.3
+COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL82859,6.9
+O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83982,7.1
+O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1,CHEMBL310132,7.7
+O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85996,7.7
+O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83459,6.5
+O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL82512,7.6
+O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL84993,8.1
+O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85391,7.3
+CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL265256,9.545
+Nc1c2c(nc3ccccc13)CCCC2,CHEMBL95,5.24
+C[C@H]1CN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1,CHEMBL69642,7.0
+C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1,CHEMBL303503,6.57
+Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1,CHEMBL69670,7.0
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1,CHEMBL70010,6.31
+C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1,CHEMBL67281,6.45
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL63757,6.3
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL67563,9.0
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL305026,9.1
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL67172,7.51
+Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1,CHEMBL264442,6.12
+Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1,CHEMBL70124,7.46
+C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1,CHEMBL334470,6.46
+COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1,CHEMBL140706,6.69
+Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL138502,5.78
+C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1,CHEMBL140827,5.69
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL357557,7.17
+Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL113436,5.6
+Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL322251,6.6
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1,CHEMBL348667,6.79
+Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL141699,6.59
+Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1,CHEMBL342137,6.01
+Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL344607,5.91
+Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL337820,6.21
+Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL140490,5.96
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL311795,6.307
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1,CHEMBL422326,6.77
+Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1,CHEMBL106247,5.88
+COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1,CHEMBL109051,8.89
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL59898,6.27
+CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2,CHEMBL287868,9.33
+O=C(Oc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL422740,8.96
+O=C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL171411,8.8
+O=C(c1cccc2ncccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL355511,9.3
+Cc1ccsc1C(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL174070,9.7
+CC(C)OC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL169876,8.49
+CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL169565,8.8
+CC(C)S(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL169313,7.85
+O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)CC2)cc1)c1ccc2c(c1)OCO2,CHEMBL139311,7.46
+O=C(COc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL170739,7.23
+O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL170033,9.3
+CCCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL426761,8.16
+O=C(c1cccc2cccnc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL355510,7.92
+O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1)c1ccc2c(c1)OCO2,CHEMBL352660,7.82
+O=C(c1ccnc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL168483,9.0
+Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C,CHEMBL170298,9.4
+CCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL355169,8.7
+CCOCC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL355299,7.75
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.55
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL9967,6.5520000000000005
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1,CHEMBL37372,9.78
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,7.96
+C1=C(c2cccnc2)C2CCN1CC2,CHEMBL64779,5.55
+OC1(c2nc3ccccc3s2)CN2CCC1CC2,CHEMBL358505,5.52
+C1=C(c2csc3ccccc23)C2CCN1CC2,CHEMBL359027,7.02
+OC1(c2cccnc2)CN2CCC1CC2,CHEMBL423746,4.57
+C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2,CHEMBL144580,5.96
+O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1,CHEMBL12980,10.35
+C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2,CHEMBL358493,5.26
+C1=C(c2nc3ccccc3s2)C2CCN1CC2,CHEMBL342958,6.22
+c1ccc2oc(C3CN4CCC3CC4)cc2c1,CHEMBL144693,6.7
+C1=C(c2ccco2)C2CCN1CC2,CHEMBL341476,6.41
+C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2,CHEMBL144435,6.34
+OC1(c2cc3ccccc3o2)CN2CCC1CC2,CHEMBL145301,5.57
+C1=C(c2coc3ccccc23)C2CCN1CC2,CHEMBL144385,7.0
+C1=C(c2ccccn2)C2CCN1CC2,CHEMBL144493,5.72
+C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2,CHEMBL343697,5.74
+OC1(c2ccccn2)CN2CCC1CC2,CHEMBL144247,4.7
+C1=C(c2cccs2)C2CCN1CC2,CHEMBL125764,6.21
+OC1(c2nc3ccccc3o2)CN2CCC1CC2,CHEMBL145533,5.04
+OC1(c2csc3ccccc23)CN2CCC1CC2,CHEMBL145081,5.66
+COc1ccccc1C1(O)CN2CCC1CC2,CHEMBL357404,4.8
+C1=C(c2cc3ccccc3o2)C2CCN1CC2,CHEMBL109405,7.51
+C1=C(c2nc3ccccc3o2)C2CCN1CC2,CHEMBL144751,6.4
+Oc1ccccc1C1=CN2CCC1CC2,CHEMBL144434,6.48
+C1=C(c2ccsc2)C2CCN1CC2,CHEMBL356321,5.77
+C1=C(c2ccc[se]2)C2CCN1CC2,CHEMBL144123,6.0
+C1=C(c2ccoc2)C2CCN1CC2,CHEMBL145488,5.77
+COc1ccccc1C1=CN2CCC1CC2,CHEMBL357444,6.39
+c1coc(C2CN3CCC2CC3)c1,CHEMBL14580,5.82
+OC1(c2cc3ccccc3s2)CN2CCC1CC2,CHEMBL357200,5.38
+C1=C(c2cc3ccccc3s2)C2CCN1CC2,CHEMBL344327,6.57
+C[C@H]1CCC2(CN3CCC2CC3)O1,CHEMBL287834,4.82
+C1OCC2(CN3CCC2CC3)O1,CHEMBL290715,4.3
+CC1(C)OCC2(CN3CCC2CC3)O1,CHEMBL39922,4.52
+C[C@H]1OCC2(CN3CCC2CC3)O1,CHEMBL38756,5.01
+CO/N=C(\C#N)[C@H]1CN2CCC1CC2,CHEMBL134641,6.69
+CC(=O)OC(C)C[N+](C)(C)C,CHEMBL978,7.23
+CC(=O)OC1CC2CCCC1N2,CHEMBL64000,8.478
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1,CHEMBL148404,6.03
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1,CHEMBL343659,5.62
+O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146464,7.52
+Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1,CHEMBL149486,7.66
+O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148328,5.34
+O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147653,6.59
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1,CHEMBL146249,5.64
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL147778,4.77
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1,CHEMBL146351,5.85
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1,CHEMBL343644,5.89
+O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL358193,7.1
+O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL145913,7.43
+O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147554,5.16
+O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL359197,5.19
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F,CHEMBL356181,6.51
+O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL146359,4.68
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1,CHEMBL343449,6.66
+Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1,CHEMBL356305,7.62
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL150219,5.7
+O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147105,5.62
+O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL346194,6.49
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL69678,6.28
+O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL345985,4.85
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL358726,7.15
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL422665,6.48
+COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL149484,6.0
+O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148129,5.51
+O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146291,5.03
+COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL148450,6.57
+O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL358289,4.77
+Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1,CHEMBL148310,4.43
+O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL149769,5.48
+NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146307,5.47
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL59836,6.31
+O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147611,6.32
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146567,6.51
+O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147695,5.07
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1,CHEMBL359220,5.64
+O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL147672,5.74
+O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL356505,6.34
+COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL130835,8.04
+CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL611476,7.15
+CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL17045,7.185
+CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL279453,8.25
+Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1,CHEMBL40391,6.49
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL75108,9.64
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL308787,9.54
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL72932,9.0
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1,CHEMBL76164,11.0
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1,CHEMBL312571,7.48
+CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,CHEMBL263555,5.32
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL312344,5.45
+CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,CHEMBL432170,5.32
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL308166,8.92
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL309720,9.7
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL311099,9.29
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL305693,9.85
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL78131,9.09
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL311054,8.85
+COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1,CHEMBL74141,9.29
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL443780,7.63
+CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL24369,6.61
+CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285440,6.59
+CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL284137,7.71
+CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285898,6.61
+CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL286008,7.57
+O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112955,7.52
+O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL2112957,9.09
+O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1,CHEMBL369062,7.77
+O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112961,7.89
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,CHEMBL1346,7.315
+O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112956,7.14
+O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1,CHEMBL177040,6.57
+O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112959,7.36
+O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112958,7.92
+COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL127273,8.07
+CCO/C(O)=C1\CN2CCCC(C2)C1=O,CHEMBL306462,5.8
+CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)C(C)C)cc1,CHEMBL150624,8.693
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N,CHEMBL412421,6.98
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL276239,9.05
+CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1,CHEMBL150845,8.02
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+CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71483,6.0
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+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)CC2)cc1,CHEMBL417369,8.3
+Cc1c(N)cccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1,CHEMBL51256,8.8
+Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)(C)C)cc3)CC2)CC1,CHEMBL51982,6.97
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+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5c(F)cc(F)cc45)CC3)CC2)cc1,CHEMBL51400,8.3
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+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1,CHEMBL51459,8.68
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)CC2)cc1,CHEMBL50927,8.22
+CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1,CHEMBL52852,8.96
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4N)CC3)CC2)cc1,CHEMBL50822,7.11
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL54155,7.4
+Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1,CHEMBL49975,8.15
+CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5ccccc5Cl)CC4)CC3)OCCO2)cc1,CHEMBL51515,7.46
+Cc1c(N)cccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1,CHEMBL51510,8.72
+CC(C)(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1,CHEMBL301354,7.74
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1,CHEMBL421864,8.8
+Cc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1,CHEMBL300845,8.05
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5nc[nH]c45)CC3)CC2)cc1,CHEMBL53965,7.57
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5c(F)cccc45)CC3)CC2)cc1,CHEMBL51574,8.05
+CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1,CHEMBL50998,7.92
+COc1ccc(S(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL73341,8.1
+CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL75448,9.22
+COc1ccc(S(=O)c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1,CHEMBL70464,8.3
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL312085,9.7
+CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL73661,7.48
+CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL72956,7.44
+COc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL307810,9.0
+COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL310912,9.22
+Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL72455,9.1
+COc1ccc(S(=O)c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL421304,7.77
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1,CHEMBL70531,7.59
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1,CHEMBL303443,5.34
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1,CHEMBL71088,7.43
+CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1,CHEMBL73145,6.87
+COc1ccc(S(=O)c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL431787,7.4
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1,CHEMBL73410,7.47
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C,CHEMBL349720,9.135
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1C,CHEMBL352380,10.0
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)cc1,CHEMBL167629,8.59
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C[C@H]1C,CHEMBL167396,10.0
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2,CHEMBL167839,8.33
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3O)CC2)C[C@H]1C,CHEMBL165434,9.0
+CC(=O)Nc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL166685,8.36
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3sccc3Cl)CC2)C[C@H]1C,CHEMBL167816,9.52
+COc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL164935,10.0
+Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1,CHEMBL165035,9.4
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1,CHEMBL354534,9.22
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)C3CC3)CC2)C[C@H]1C,CHEMBL353842,8.89
+Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)[C@H](C)C2)CC1,CHEMBL354461,8.74
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1C,CHEMBL110744,9.1
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H]1C,CHEMBL349142,9.52
+COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2,CHEMBL350404,7.28
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3cccc4c3OCO4)CC2)C[C@H]1C,CHEMBL352291,10.0
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3COC(=O)c3ccccc3)CC2)C[C@H]1C,CHEMBL412814,9.7
+COc1c(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)ccc2c1OCO2,CHEMBL167838,8.52
+Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL165377,9.7
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C,CHEMBL351079,9.3
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+Cc1cccnc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL164385,7.11
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1,CHEMBL307234,9.0
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1,CHEMBL74352,9.23
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL71147,9.77
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1,CHEMBL74117,9.59
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1,CHEMBL70848,8.66
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL72494,9.44
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1,CHEMBL72551,9.42
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1,CHEMBL73893,9.8
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1,CHEMBL72787,8.52
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1,CHEMBL305607,8.42
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1,CHEMBL70860,9.35
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1,CHEMBL420008,8.94
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL422770,8.84
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1,CHEMBL72957,9.39
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1,CHEMBL72408,9.46
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1,CHEMBL73245,9.34
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1,CHEMBL72363,9.42
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1,CHEMBL440491,9.52
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1,CHEMBL273439,6.62
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1,CHEMBL11856,6.72
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnccn4)CC3)CC2)cc1,CHEMBL12029,6.6
+O=C(c1cccc2ccccc12)N1CCC(N2CCC(Cc3ccc(SCCO)cc3)CC2)CC1,CHEMBL275347,7.59
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1N,CHEMBL12228,7.7
+CCOc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1,CHEMBL12064,7.85
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4nccc5ccccc45)CC3)CC2)cc1,CHEMBL12542,7.96
+COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1,CHEMBL12354,8.37
+O=C(O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL11710,5.82
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)CC2)cc1,CHEMBL12115,6.87
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccco4)CC3)CC2)cc1,CHEMBL11947,6.03
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cccnc45)CC3)CC2)cc1,CHEMBL12268,6.59
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1,CHEMBL415975,6.89
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnnc5ccccc45)CC3)CC2)cc1,CHEMBL12112,6.59
+COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL11892,9.15
+NC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL12085,7.74
+COc1cccc(Cl)c1C(=O)N1CCC(N2CCC(Cc3ccc(SC(C)C)cc3)CC2)CC1,CHEMBL274999,6.63
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL11893,7.66
+CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(OCC)ccc45)CC3)CC2)cc1,CHEMBL418530,8.57
+CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL11690,7.4
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1,CHEMBL440601,7.66
+CN(C)C(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL11816,7.92
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1,CHEMBL12291,6.59
+COc1ccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)cc1,CHEMBL12215,6.97
+CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL12150,7.77
+CC(C)Oc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1,CHEMBL11527,8.21
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1,CHEMBL12153,8.07
+CC(C)OC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,CHEMBL12419,7.32
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL11794,7.7
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccno4)CC3)CC2)cc1,CHEMBL269645,6.87
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ncccc45)CC3)CC2)cc1,CHEMBL11756,9.0
+CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)CC2)cc1,CHEMBL11877,6.6
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1,CHEMBL352739,9.8
+CC(=O)OC1CC2CCCC1N2C,CHEMBL294273,5.515
+COC(=O)C1CC2CCCC1N2,CHEMBL64788,6.32
+CN1C2CCCC1C(OC(=O)C1CCCCC1)C2,CHEMBL313738,5.97
+CCC(=O)OC1CC2CCCC1N2C,CHEMBL440138,5.77
+O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1,CHEMBL315428,6.475
+CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2,CHEMBL314493,6.065
+O=C(OC1CC2CCCC1N2)C1CCCCC1,CHEMBL82754,5.245
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@@H]3C)cc2)cc1,CHEMBL352607,7.8
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1,CHEMBL163777,9.52
+CCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL163714,9.15
+CCCCC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL165337,8.89
+COc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1,CHEMBL165439,9.52
+CCCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL435849,9.7
+CCNC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL163887,8.6
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCNCC2)C[C@H]1C,CHEMBL164397,8.05
+CCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1,CHEMBL165375,9.7
+COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@H](C)C3)cc2)cc1,CHEMBL164762,9.85
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCCCC2)C[C@H]1C,CHEMBL349497,10.52
+C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C,CHEMBL163658,9.1
+COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@@H](C)C3)cc2)cc1,CHEMBL350956,10.4
+C[C@@H]1CN(C2CCCCC2)CCN1[C@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1,CHEMBL164705,10.52
+COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1,CHEMBL424530,9.82
+COc1ccc([S@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114066,7.76
+C=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2114068,10.52
+COc1ccc([S@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115126,8.15
+C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL70828,9.43
+COc1ccc([S@@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114064,8.12
+C=C(c1ccc([S@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2115128,10.24
+COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71124,9.85
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL69595,8.89
+COc1ccc([S@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115127,7.97
+COc1ccc([S@@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114067,8.45
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71971,8.14
+COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71531,8.51
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL335542,9.9
+COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL553058,8.1
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL56275,6.17
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL58824,6.07
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL57485,6.77
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL291562,5.94
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL55698,5.76
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL294663,6.51
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL430587,5.93
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL301670,7.02
+CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL20732,4.92
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278074,6.48
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21321,6.38
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21716,6.49
+CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21509,4.9
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21328,4.85
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL22108,7.35
+CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL279520,4.53
+CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1,CHEMBL424214,4.41
+CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21937,4.38
+CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL283320,4.8
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL279225,5.04
+CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL280684,5.13
+CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21508,4.82
+CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278129,4.98
+CC(=O)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL82850,6.4
+O=C(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL86012,6.2
+O=C(c1ccccc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85568,6.2
+O=C(C1CCC1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83363,6.6
+O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL87302,6.5
+O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL86309,6.5
+O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1,CHEMBL2112313,5.7
+O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL87132,6.2
+O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL315127,5.4
+O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85950,6.1
+O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL88078,6.7
+O=C(c1ccco1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL310016,6.1
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,6.03
+CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1,CHEMBL369575,5.84
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL564226,5.91
+CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1,CHEMBL423831,7.81
+CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL167223,7.48
+CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL354523,6.97
+Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352966,5.71
+CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL354678,7.01
+CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL169594,5.22
+CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355392,6.07
+CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL169680,5.17
+CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL172234,5.31
+CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL168223,4.03
+CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355560,5.27
+Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL354841,6.23
+COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352404,5.99
+CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355455,6.4
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1,CHEMBL170221,6.59
+CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355851,4.4
+CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1,CHEMBL168707,6.44
+CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL171216,7.29
+CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL170088,6.17
+CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL352779,4.83
+CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,CHEMBL172233,7.49
+COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL167027,5.97
+CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1,CHEMBL168704,7.35
+C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL1493369,7.52
+CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1,CHEMBL353290,6.95
+CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL355769,6.84
+CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL169494,6.63
+CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352723,6.04
+CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1,CHEMBL171102,6.64
+CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL434684,7.91
+CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL169401,6.58
+CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL538793,7.8
+COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL136027,7.8
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1,CHEMBL545077,7.8
+CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106219,6.43
+C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL420662,5.97
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL320465,5.97
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL318995,5.66
+CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104210,5.14
+C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104332,6.62
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21,CHEMBL104574,5.87
+CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105148,5.87
+CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106218,6.15
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3,CHEMBL106224,6.29
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3,CHEMBL105593,5.61
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21,CHEMBL104804,5.27
+COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105945,6.38
+CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105160,5.34
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL326450,6.47
+CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107679,6.66
+CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106259,5.39
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3,CHEMBL280220,5.42
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3,CHEMBL105674,5.49
+CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107444,6.29
+C=C1N=C(c2c(C)[nH]c3ccc4c(c23)CN2CCc3cc(OC)ccc3C2O4)ON1,CHEMBL104803,5.66
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3,CHEMBL105122,5.66
+CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106505,5.63
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL104693,5.84
+C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1,CHEMBL76897,7.64
+c1cnc(O[C@@H]2CN3CCC2C3)cn1,CHEMBL292574,7.4
+CCCCCCOc1nccnc1OC1CN2CCC1C2,CHEMBL300998,7.7
+CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2,CHEMBL542622,8.47
+CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1,CHEMBL355475,6.51
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12,CHEMBL353311,7.59
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12,CHEMBL172646,6.83
+CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1,CHEMBL354934,6.42
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12,CHEMBL366640,6.31
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12,CHEMBL170205,6.45
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12,CHEMBL352618,7.29
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12,CHEMBL170922,6.23
+CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1,CHEMBL355193,6.24
+CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21,CHEMBL366819,6.56
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12,CHEMBL354636,7.89
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12,CHEMBL170977,6.72
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12,CHEMBL352596,6.65
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12,CHEMBL171520,6.28
+CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1,CHEMBL172969,6.55
+CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21,CHEMBL426032,6.68
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12,CHEMBL352756,6.74
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12,CHEMBL172272,6.19
+CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1,CHEMBL74305,6.16
+CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1,CHEMBL451542,5.8
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1,CHEMBL74736,6.84
+O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73017,7.13
+CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73501,6.3
+CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL75217,7.66
+O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL307628,5.92
+CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1,CHEMBL72506,6.07
+CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL72219,7.01
+CCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1,CHEMBL440686,5.31
+CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1,CHEMBL308707,5.64
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL73234,6.78
+OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21,CHEMBL94772,5.62
+CC(=O)c1ccc(C2=CN3CCC2CC3)s1,CHEMBL94921,5.81
+COc1ccccc1C(O)C1=CN2CCC1CC2,CHEMBL96042,5.66
+c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2,CHEMBL273586,7.01
+O=Cc1ccc(C2=CN3CCC2CC3)s1,CHEMBL264747,5.59
+COc1ccccc1C(=O)C1=CN2CCC1CC2,CHEMBL93709,5.77
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL353140,7.49
+CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CHEMBL166385,7.43
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1,CHEMBL168145,6.95
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL168149,7.33
+CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CHEMBL355874,8.35
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.3
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.3
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,5.9
+CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL328659,7.46
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1,CHEMBL92569,8.29
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1,CHEMBL328059,9.8
+CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1,CHEMBL92110,8.54
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1,CHEMBL90199,7.84
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1,CHEMBL94189,10.14
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1,CHEMBL90700,10.51
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1,CHEMBL328550,8.04
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1,CHEMBL90638,9.09
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1,CHEMBL94247,9.96
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1,CHEMBL328094,10.52
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1,CHEMBL93017,9.08
+CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL91232,8.99
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCCO3)CC2)CC1,CHEMBL433011,9.14
+CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1,CHEMBL91404,9.89
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1,CHEMBL90507,8.91
+CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1,CHEMBL328120,7.92
+CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@@H](C)[C@H](C)O3)CC2)CC1,CHEMBL328093,8.74
+CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,CHEMBL550,4.92
+C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1,CHEMBL427145,7.8
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL182761,7.88
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL360988,6.69
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12,CHEMBL363895,6.74
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12,CHEMBL184843,7.37
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12,CHEMBL183903,7.91
+CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C,CHEMBL183331,6.35
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12,CHEMBL181447,7.17
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12,CHEMBL362864,6.24
+CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL381623,9.1
+Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,CHEMBL1382,8.485
+COC1(C#CC(O)(c2ccccc2)c2cncnc2)CN2CCC1CC2,CHEMBL203249,8.7
+COC1(C#CC(O)(c2ccccc2)c2cccnn2)CN2CCC1CC2,CHEMBL383248,7.4
+COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2,CHEMBL382213,8.49
+COC1(C#CC(O)(c2ccccc2)c2ccc(F)nc2)CN2CCC1CC2,CHEMBL427013,8.4
+CO[C@]1(C#CC(O)(c2cccnc2)c2cccnc2)CN2CCC1CC2,CHEMBL381469,7.0
+COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2,CHEMBL201933,8.3
+CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL372566,7.3
+CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL200171,9.1
+COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL200319,8.89
+COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2,CHEMBL200210,7.1
+COC1(C#CC(O)(c2ccccn2)C2CCC2)CN2CCC1CC2,CHEMBL381020,6.5
+COC1(C#CC(O)(c2ccccn2)C2CCCC2)CN2CCC1CC2,CHEMBL370862,7.3
+CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2,CHEMBL200401,9.4
+CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2,CHEMBL370232,9.7
+CO[C@]1(C#CC(O)C2c3ccccc3C=Cc3ccccc32)CN2CCC1CC2,CHEMBL200566,6.2
+CO[C@]1(C#CC(O)(c2cccc(C)c2)c2cccc(C)c2)CN2CCC1CC2,CHEMBL380583,7.3
+CO[C@]1(C#CC(O)(c2cccc(F)c2)c2cccc(F)c2)CN2CCC1CC2,CHEMBL383389,8.3
+CO[C@]1(C#CC(O)(c2ccc(C)cc2)c2ccc(C)cc2)CN2CCC1CC2,CHEMBL200209,6.3
+CO[C@]1(C#CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CN2CCC1CC2,CHEMBL199981,6.9
+CO[C@]1(C#CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CN2CCC1CC2,CHEMBL381878,7.7
+COC1(C#CC(O)(Cc2ccccc2)Cc2ccccc2)CN2CCC1CC2,CHEMBL197973,5.5
+COC1(C#CC(O)(Cc2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL373256,6.6
+CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1,CHEMBL200416,7.6
+CCCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1,CHEMBL199821,7.4
+COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2,CHEMBL200957,7.89
+COC1(C#CC(O)(c2ccccc2)C2CCCC2)CN2CCC1CC2,CHEMBL200432,8.49
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL371734,7.65
+CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL200693,8.7
+CO[C@@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL200208,6.6
+C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1,CHEMBL380759,5.49
+C#CCOC(=O)C1=CCCN(C)C1,CHEMBL128365,7.06
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@]1=O,CHEMBL2092736,4.29
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2093084,4.81
+C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@]1=O,CHEMBL2092735,4.11
+C[C@@H]1O[C@H]([C@@H]2CCCN2C)C[S@@]1=O,CHEMBL3351105,4.05
+C[C@H]1O[C@@H]([C@@H]2CCCN2C)C[S@@]1=O,CHEMBL2092737,4.06
+C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2092820,5.03
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205654,7.2
+O=C(NC[C@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL275914,5.51
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL214642,5.52
+O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212645,6.96
+CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212141,5.82
+O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214898,7.72
+O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215189,7.17
+O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL378772,7.14
+CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL213709,5.89
+CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL214342,6.14
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL438822,6.35
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214029,6.66
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215180,6.31
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL215894,7.0
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378859,7.03
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378872,6.51
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL378885,5.43
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL211976,5.92
+COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,CHEMBL219118,7.2
+COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1,CHEMBL376295,6.8
+COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1,CHEMBL216928,7.4
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1,CHEMBL216983,6.5
+COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL386983,8.6
+COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL218755,7.4
+COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL373888,7.4
+CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL373515,8.31
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL222259,9.08
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376057,9.11
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL220393,8.83
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219786,9.02
+C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375851,8.47
+C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375969,9.33
+CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219825,8.35
+CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376255,8.37
+CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376870,8.97
+CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL385328,8.56
+CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375073,8.56
+C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL45454,8.12
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL376000,7.1
+O=C1N(C2CCN(Cc3ccccc3)CC2)CC(c2ccccc2)N1Cc1ccccc1,CHEMBL223188,6.2
+O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL225387,6.04
+CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1,CHEMBL375277,6.28
+O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1,CHEMBL223017,5.64
+O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL438427,7.09
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1,CHEMBL222387,8.7
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC2CCC(C1)N2Cc1ccccc1,CHEMBL221400,7.19
+O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL376781,6.73
+Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1,CHEMBL375420,6.97
+O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL222207,6.29
+Cc1cccc(CN2CCC(N3CC(c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1,CHEMBL222403,6.78
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL221401,5.94
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL223079,6.02
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL373994,6.52
+Nc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL221829,6.74
+Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL222388,6.65
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(O)c2)CC1,CHEMBL222804,7.32
+COc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1,CHEMBL436492,6.31
+COc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL225074,6.16
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL269280,6.53
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL223016,6.48
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1,CHEMBL441873,6.03
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1,CHEMBL221660,6.52
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCOc2ccccc2)CC1,CHEMBL426393,6.48
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCCc2ccccc2)CC1,CHEMBL223187,5.77
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCc2ccccc2)CC1,CHEMBL223186,6.39
+CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL222402,5.53
+O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL221713,5.53
+O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL222860,7.01
+O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL223267,7.13
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL222424,6.68
+C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL390839,5.74
+C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222054,6.57
+C[N+]1(CC(=O)c2cccnc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222874,5.99
+C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222450,7.05
+C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222449,6.97
+C[N+]1(CC(=O)c2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL374513,7.02
+C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL223668,7.66
+C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL224783,6.8
+C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL387546,8.62
+COCC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222917,6.26
+N#CC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222916,5.94
+C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL376900,7.56
+C[N+]1(CC(=O)Nc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222634,8.0
+C[N+]1(CC(=O)c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222636,7.5
+C[N+]1(CCCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL223028,8.05
+C[N+]1(CCOCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222976,7.32
+C[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374989,8.78
+C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374452,9.14
+C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL223055,8.27
+C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL221775,6.05
+C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222090,6.06
+C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374987,5.7
+C[N+]1(C)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2,CHEMBL222689,6.3
+CC1COCC(C[N+](C)(C)C)O1,CHEMBL228144,5.495
+C[C@@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227378,5.16
+CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1,CHEMBL234252,7.05
+CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1,CHEMBL234440,9.92
+CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1,CHEMBL392186,8.29
+CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1,CHEMBL234258,8.74
+CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1,CHEMBL391977,8.72
+CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1,CHEMBL233202,7.92
+CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1,CHEMBL233201,8.14
+CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1,CHEMBL394255,8.06
+CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1,CHEMBL435353,8.22
+CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1,CHEMBL394137,9.18
+CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1,CHEMBL234439,8.7
+CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1,CHEMBL234438,8.21
+CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1,CHEMBL394254,8.62
+CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1,CHEMBL234257,7.92
+CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1,CHEMBL233200,7.39
+CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1,CHEMBL233199,7.31
+CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL233198,7.36
+CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1,CHEMBL234254,7.31
+Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL234253,7.32
+COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1,CHEMBL242345,8.22
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc21,CHEMBL394329,5.39
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1,CHEMBL396845,6.32
+C[N+]1(CC#CCOC2=NOCC2)CCCCC1,CHEMBL239436,6.66
+C(#CCN1CCCCC1)COC1=NOCC1,CHEMBL239866,6.06
+O=C1CCON1CC#CCN1CCCCC1,CHEMBL398043,7.4
+Cc1cc(OCC#CC[N+]2(C)CCCC2)no1,CHEMBL238825,5.69
+Cc1cc(OCC#CC[N+](C)(C)C)no1,CHEMBL239655,7.3
+O=C1CCON1CC#CCN1CCCC1,CHEMBL275104,7.15
+COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC,CHEMBL1256938,7.98
+CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2,CHEMBL252258,6.55
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,6.8
+C[C@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227429,5.28
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C,CHEMBL271108,8.05
+CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257643,7.42
+CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257431,7.26
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,CHEMBL105457,5.92
+CC(=O)O[C@H]1CN2CCC1CC2,CHEMBL612034,5.65
+CC(=O)O[C@@H]1CN2CCC1CC2,CHEMBL608828,6.21
+Cc1nccn1CC#CCOc1ccon1,CHEMBL1162116,8.44
+Cc1nccn1CC#CCN1CCCC1=O,CHEMBL77793,6.99
+C[N+](C)(C)CC#CCN1CCCC1=O,CHEMBL23957,6.97
+CO/N=C/C1=CCCN(C)C1,CHEMBL151938,6.0
+C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1=O,CHEMBL553241,4.11
+C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258907,5.85
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL258906,5.45
+C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258905,5.28
+C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL259344,6.17
+C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1,CHEMBL259131,5.3
+C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1,CHEMBL402473,5.77
+C[C@@H]1O[C@H](C[N+](C)(C)C)CS1,CHEMBL320820,5.68
+CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL1464005,9.148
+COC1(C#CC(C)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL410061,7.4
+COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL258959,8.2
+COC(C#C[C@@]1(OC)CN2CCC1CC2)(c1ccccc1)c1ccccc1,CHEMBL411514,6.8
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2,CHEMBL260228,7.5
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2,CHEMBL264676,8.5
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2,CHEMBL264414,7.7
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2,CHEMBL409151,8.6
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL428962,8.8
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21,CHEMBL478227,6.19
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21,CHEMBL478226,6.0
+CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021479,8.35
+CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C,CHEMBL2021478,8.46
+CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021477,8.27
+CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021476,8.4
+c1coc(C2CCCN2)c1,CHEMBL461087,4.53
+Cc1ccc(C[N+](C)(C)C)o1,CHEMBL92387,6.02
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL40554,5.49
+Cc1ccc([C@@H]2CCC[N+]2(C)C)o1,CHEMBL551563,5.78
+Cc1ccc([C@H]2CCC[N+]2(C)C)o1,CHEMBL553434,5.57
+Cc1ccc(C2CCC[N+]2(C)C)o1,CHEMBL555475,5.72
+C[N+]1(C)CCC[C@H]1c1ccco1,CHEMBL553155,5.13
+C[N+]1(C)CCC[C@@H]1c1ccco1,CHEMBL527880,4.85
+C[N+]1(C)CCCC1c1ccco1,CHEMBL554532,5.43
+Cc1ccc([C@@H]2CCCN2C)o1,CHEMBL450463,4.8
+Cc1ccc([C@H]2CCCN2C)o1,CHEMBL461709,4.71
+Cc1ccc(C2CCCN2C)o1,CHEMBL513277,4.84
+CN1CCC[C@H]1c1ccco1,CHEMBL450729,4.51
+CN1CCC[C@@H]1c1ccco1,CHEMBL461502,4.32
+CN1CCCC1c1ccco1,CHEMBL460470,4.38
+Cc1ccc([C@@H]2CCCN2)o1,CHEMBL458416,4.54
+Cc1ccc([C@H]2CCCN2)o1,CHEMBL461089,5.49
+Cc1ccc(C2CCCN2)o1,CHEMBL505086,5.37
+c1coc([C@H]2CCCN2)c1,CHEMBL461088,4.11
+CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1,CHEMBL540359,8.5
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL499519,6.2
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL554916,7.045
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL556390,6.935
+CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL496915,7.3
+CN1CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL493795,6.455
+C[N+](C)(C)C[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL557808,7.13
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2,CHEMBL524097,9.03
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,CHEMBL523299,9.82
+CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084662,8.2
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084658,8.4
+CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL3084650,9.3
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2103803,9.785
+CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084679,7.9
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084643,8.4
+O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL564057,10.1
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL551466,10.1
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1,CHEMBL556635,10.22
+CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL576663,7.53
+CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL583051,8.17
+CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571121,8.34
+CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571341,7.22
+CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569212,6.44
+CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569953,5.49
+CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL571123,7.19
+CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL576707,6.85
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL569729,7.5
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569760,7.99
+C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569307,8.63
+C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568870,7.7
+C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568775,7.06
+C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569089,6.12
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL583027,7.87
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL569712,7.76
+C[C@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL593443,4.76
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C,CHEMBL595265,4.86
+CC1(C)COC[C@@H](C[N+](C)(C)C)O1,CHEMBL594801,4.74
+C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594376,4.95
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C,CHEMBL593871,4.78
+C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C,CHEMBL608985,4.7
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C,CHEMBL593864,4.05
+C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL595022,4.14
+C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593685,4.56
+CC1(C)CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594802,4.02
+CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593861,4.33
+C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL594803,4.22
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593620,4.47
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.7
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,CHEMBL845,6.6
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.49
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.36
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.6
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.64
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2,CHEMBL3084413,9.14
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,5.43
+c1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824784,5.37
+Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824785,5.45
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.69
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,8.44
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.3
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.03
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.35
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.74
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,7.54
+CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,CHEMBL1200993,6.15
+CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,CHEMBL1902981,6.08
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.29
+CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CHEMBL1535,5.98
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.94
+CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1200623,6.98
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,CHEMBL1319362,7.12
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.58
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.6
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,7.39
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.43
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,6.56
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.12
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.04
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,7.8
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.39
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.29
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.42
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,5.89
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,6.885
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,6.63
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.07
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.92
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.87
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,6.29
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,6.72
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.41
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.92
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.91
+CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL1909073,8.03
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,5.96
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.46
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.53
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.16
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21,CHEMBL1201024,9.82
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.42
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.81
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,5.9
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.23
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,5.03
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.7
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,7.11
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,CHEMBL1490,7.92
+CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,CHEMBL2107687,7.72
+CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,CHEMBL1200604,7.43
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.42
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.56
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.01
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.34
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(Oc2ccccc2)CC1,CHEMBL1910849,8.59
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1,CHEMBL1910848,10.25
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccccc2)C1,CHEMBL1910847,7.92
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccccc2)C1,CHEMBL1910846,8.8
+NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1,CHEMBL1910845,7.82
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,CHEMBL1910856,9.86
+CC[C@@H](NCc1cccc(C(=O)NCCOc2ccccc2)c1)c1ccccc1,CHEMBL2011502,4.35
+C=CCCCC[N@+]1(C)C2CCC1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2023764,10.0
+C1CCC(CN2C3CCC2CC3)CC1,CHEMBL2030625,5.32
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,6.16
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,6.34
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.17
+CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042554,7.02
+CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042553,8.01
+CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042552,7.78
+C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042551,4.1
+C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042407,4.55
+C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042406,7.48
+C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042405,8.55
+C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042404,8.24
+C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL2042403,4.4
+C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL2042402,5.19
+CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042401,4.74
+CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042400,5.2
+CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1,CHEMBL2151158,9.77
+CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O,CHEMBL1628706,5.88
+CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O,CHEMBL2178569,8.89
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,5.83
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,6.06
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.87
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,6.67
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.91
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.18
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.3
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.89
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.82
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,5.9
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.26
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.08
+CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312352,6.27
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312361,5.93
+CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1,CHEMBL2312389,5.69
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1,CHEMBL1180343,5.96
+Clc1cc(Cl)cc(N2CCNCC2)c1,CHEMBL2335158,5.1
+CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1,CHEMBL1191560,6.61
+CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377383,6.13
+OC(CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2,CHEMBL3085495,7.86
+CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1,CHEMBL2377269,7.82
+CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1,CHEMBL2377268,7.51
+CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1,CHEMBL2377267,8.1
+CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2106570,8.81
+C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377384,6.46
+CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C,CHEMBL2377261,8.23
+CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1,CHEMBL2377262,5.87
+CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1,CHEMBL2110892,5.99
+CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C,CHEMBL2377388,6.55
+CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2377387,8.27
+CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1,CHEMBL2377392,6.94
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.0
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.66
+Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1,CHEMBL2426689,4.66
+CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1,CHEMBL2426688,4.55
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1,CHEMBL2426682,5.81
+COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1,CHEMBL2426681,6.06
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1,CHEMBL2426680,4.84
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1,CHEMBL2426679,6.39
+COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)nc1,CHEMBL2426678,5.79
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1,CHEMBL2426677,4.85
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1,CHEMBL2426676,5.92
+COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)cc1,CHEMBL2426675,6.06
+COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1,CHEMBL2426674,5.71
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1,CHEMBL2424680,7.32
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1,CHEMBL2426673,6.04
+COc1ccc(CC(=O)N2CCC3(CC2)CN(C(c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1,CHEMBL2426672,6.82
+COc1ccc(CC(=O)N2CCC3(CC2)CN(C(C)c2ccc(-c4ncccn4)cc2)C3)nc1,CHEMBL2426671,5.62
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1,CHEMBL2426670,4.7
+COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1,CHEMBL2426669,5.65
+COCC(c1ccc(-c2ncccn2)cc1)N1CC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1,CHEMBL2426668,5.15
+Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1,CHEMBL2048820,6.57
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.71
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,6.0
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.36
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.55
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.99
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,5.45
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,6.31
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432052,5.64
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,5.71
+CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432043,5.05
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,5.76
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,6.32
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.0
+C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL3289390,9.35
+C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL3289391,8.6
+C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL1724,9.17
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+CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354066,7.18
+CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354067,7.96
+CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354068,8.86
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+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354071,7.07
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+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,CHEMBL3354073,6.22
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,CHEMBL3354074,6.68
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1,CHEMBL3354075,6.67
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1,CHEMBL3354076,6.38
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1,CHEMBL3354077,6.32
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+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL3354078,7.1
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+CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3298986,6.2
+C[N+](C)(C)C[C@@H]1COCCO1,CHEMBL3309718,5.76
+CC1OC2(CS1)CN1CCC2CC1,CHEMBL168815,6.07
+CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O,CHEMBL3577945,5.4
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diff --git a/chembl_200/CHEMBL214.csv b/chembl_200/CHEMBL214.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9c1b59a35c0ece594b139ad34a20bee2b8a8edf7
--- /dev/null
+++ b/chembl_200/CHEMBL214.csv
@@ -0,0 +1,2991 @@
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+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,6.64
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+CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(c23)C1,CHEMBL12157,7.05
+NC1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202409,7.36
+CCCCN(CCC)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL12021,6.77
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+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CC3,CHEMBL11577,8.62
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+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)OC3,CHEMBL1202416,7.51
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+CCCN(CCC)C1Cc2cccc3ccc(=O)n(c23)C1,CHEMBL269419,7.77
+CCCN(CCC)C1Cc2cccc3nc(C)n(c23)C1,CHEMBL1202408,5.35
+CCCN(CCC)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202407,6.99
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+CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL53,6.465
+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CN3,CHEMBL268274,7.31
+CCCN(CCC)C1Cc2cccc3nc(SC)n(c23)C1,CHEMBL267107,6.76
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+CN(C)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202411,6.46
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+CCCN1CCC2c3c(O)cccc3CCC21,CHEMBL9980,8.85
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+COc1cccc2c1C[C@H]1CCN[C@@H]1C2,CHEMBL275480,7.54
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+Oc1cccc2c1C[C@H]1CCN(CC3CC3)[C@@H]1C2,CHEMBL11771,7.16
+CCCN1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21,CHEMBL11388,7.597
+CCCN1[C@@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@@H]21,CHEMBL11386,7.96
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+COc1cccc2c1C[C@H]1CCN(Cc3ccccc3)[C@@H]1C2,CHEMBL11880,6.9
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+C=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL287134,9.52
+C=CCN1CC[C@@H]2c3c(O)cccc3CC[C@H]21,CHEMBL283738,8.31
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,6.17
+CCCN1CC[C@H]2c3ccccc3CC[C@H]21,CHEMBL25690,7.43
+CCCN1CC[C@@H]2c3ccccc3CC[C@H]21,CHEMBL24496,7.36
+CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL278751,6.705
+C=CCN1C[C@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL24161,8.23
+CCCN(CCC)[C@@H]1Cc2cccc3ccc(=O)n(c23)C1,CHEMBL24978,8.19
+C=CCN1CCC2c3c(O)cccc3CCC21,CHEMBL10048,8.31
+CCCN(CCC)[C@@H]1Cc2cccc3c2N(CC(=O)N3)C1,CHEMBL27399,6.52
+C=CCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL278285,6.98
+CCCN1[C@H](C)C[C@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL416924,7.8
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+CCCN1CC[C@H]2c3cccc(OC)c3CC[C@@H]21,CHEMBL2051769,7.18
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+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,8.57
+CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL27441,6.39
+CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4c3C(=CC4)C[C@H]2N(C)C1,CHEMBL285341,8.27
+CCCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL25359,7.21
+CCCN1[C@@H](C)C[C@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL24622,9.0
+Cc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@H](NC(=O)C(C)(C)C)CN1C,CHEMBL25013,7.73
+CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(c23)C1,CHEMBL281248,7.1
+CCCN(CCC)[C@@H]1Cc2cccc3c2N(C1)C(=O)NC3,CHEMBL24110,8.66
+CCCN1CCC2Cc3c(cccc3OC)C[C@H]21,CHEMBL278091,7.27
+CN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21,CHEMBL25074,8.54
+CCCN1C[C@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL283956,8.32
+C=CCN1CCC2c3c(cccc3OC)CCC21,CHEMBL273412,8.33
+COc1ccc2c(c1)C(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)CCO2,CHEMBL14499,6.61
+COc1cccc2c1C(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)CCO2,CHEMBL14349,7.92
+COc1ccc2c(c1)OCCC2CN1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL14896,6.21
+COc1ccc2c(c1)OCCC2CNCCCc1ccccc1,CHEMBL14867,7.55
+COc1ccc2c(c1)C(CNCCCc1ccccc1)CCO2,CHEMBL277757,7.03
+COc1cccc2c1OCCC2CNCCCc1ccccc1,CHEMBL275247,8.15
+CCCN[C@H]1[C@@H](CCC)c2c(O)cccc2C[C@H]1CCC,CHEMBL159160,7.96
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC=C,CHEMBL158623,8.0
+C=CC[C@H]1c2c(cccc2OC)CC[C@H]1NCCC,CHEMBL158791,8.74
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C,CHEMBL158749,8.82
+C=CC[C@@H]1c2c(cccc2OC)CC[C@H]1NCC1CC1,CHEMBL349418,8.39
+C=CCN[C@H]1Cc2c(cccc2OC)C[C@@H]1CC=C,CHEMBL159485,6.49
+CCCN[C@H]1[C@@H](CCC)c2c(cccc2OC)C[C@H]1CCC,CHEMBL409417,8.12
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO,CHEMBL158582,8.7
+CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1,CHEMBL161153,8.03
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC1CC1,CHEMBL162189,8.03
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1,CHEMBL158482,7.82
+C=CCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C,CHEMBL158210,9.0
+C=CCN(CCC)[C@@H]1CCc2cccc(OC)c2C1=C,CHEMBL348067,8.42
+COc1cccc2c1[C@@H](CC1CC1)[C@H](NCC1CC1)CC2,CHEMBL350362,6.19
+C=CC[C@H]1c2c(cccc2OC)CC[C@H]1NCC1CC1,CHEMBL158283,8.54
+COc1cccc2c1[C@H](CC1CC1)[C@H](NCC1CC1)CC2,CHEMBL161561,8.07
+CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC1CC1,CHEMBL352897,7.82
+CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC,CHEMBL159566,7.96
+C=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC,CHEMBL347700,9.3
+CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CCC,CHEMBL351782,8.54
+C=CC[C@H]1c2c(cccc2OC)CC[C@H]1N(CCC)CCC,CHEMBL160096,8.2
+C=CCN[C@@H]1CCc2ccccc2[C@@H]1CC=C,CHEMBL157755,6.82
+C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1C(=O)OC,CHEMBL159561,7.09
+C=CC[C@H]1Cc2cccc(OC)c2C[C@@H]1NCCC,CHEMBL345118,6.97
+CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO,CHEMBL161617,8.27
+C=CC[C@H]1c2ccccc2CC[C@H]1NCCC,CHEMBL161264,6.76
+C=CC[C@@H]1c2c(cccc2OC)CC[C@H]1NCCC,CHEMBL158508,7.72
+CCCN(C)[C@@H]1CCc2cccc(OC)c2[C@@H]1CO,CHEMBL161095,8.3
+CCCN1CC[C@H]2c3c(cccc3OC)CC[C@@H]21,CHEMBL281819,9.7
+C=CCN1CC[C@H]2c3cccc(OC)c3CC[C@@H]21,CHEMBL281859,6.63
+CCCN1[C@@H](C)C[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL25357,9.0
+COc1cccc2c1[C@@H]1CCN(CCc3ccccc3)[C@@H]1CC2,CHEMBL286376,6.5
+C=CCN1CC[C@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL24575,7.27
+COc1cccc2c1[C@@H]1CCN(CCc3ccccc3)[C@H]1CC2,CHEMBL25638,6.35
+CCCN1[C@H](C)C[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL278814,7.8
+CCCN1CC[C@H]2c3c(O)cccc3CC[C@@H]21,CHEMBL24523,10.0
+CCCN1CC[C@H]2c3c(ccc4ccoc34)CC[C@H]21,CHEMBL328107,8.41
+CCCN(CCC)C1CCc2c(ccc3ccoc23)C1,CHEMBL96735,6.68
+CCCN(CCC)C1CCc2c(O)cccc2C1,CHEMBL273273,6.46
+CCCN(CCC)C1CCc2ccc3occc3c2C1,CHEMBL314548,8.11
+CCCN(CCC)C1CCc2ccc3ccoc3c2C1,CHEMBL93186,8.21
+CCCN(CCC)C1CCc2ccc(O)cc2C1,CHEMBL285755,7.33
+CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C,CHEMBL433002,6.92
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.55
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56438,7.44
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1,CHEMBL125902,8.01
+COc1ccccc1OCCNCCCc1c[nH]c2ccccc12,CHEMBL2112645,8.7
+COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12,CHEMBL126484,8.89
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCCO4)c2c1,CHEMBL419240,9.15
+c1cc(OCCNCCCc2c[nH]c3ccccc23)c2[nH]cnc2c1,CHEMBL331609,9.06
+COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12,CHEMBL127171,7.46
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1,CHEMBL126536,7.45
+CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1,CHEMBL111065,8.77
+OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL114452,8.66
+c1ccc(CCCCN2CCC3(CC2)OCc2c3ccc3ccccc23)cc1,CHEMBL113326,7.14
+O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL326751,8.96
+O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL327126,9.0
+OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL114453,8.08
+O=C1CCc2c(F)ccc(OCC(O)CN3CCC4(CC3)OCc3c4ccc4ccccc34)c21,CHEMBL111713,8.64
+O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL323441,8.22
+OC(COc1ccc(F)c2c1OCCC2)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL111021,8.55
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.34
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,7.92
+CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3,CHEMBL131736,7.55
+COc1cc(C[C@@H](C)N)c(OC)cc1I,CHEMBL134519,9.19
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1,CHEMBL330827,9.16
+CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,CHEMBL284092,7.89
+Fc1cc(OCCNCCCc2c[nH]c3ccc(F)cc23)c2c(c1)OCCO2,CHEMBL339490,7.65
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2,CHEMBL340873,7.53
+COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12,CHEMBL338482,7.32
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,6.48
+Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2,CHEMBL124069,7.575
+Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1,CHEMBL338520,7.97
+Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCC2,CHEMBL339810,7.77
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.1
+CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,CHEMBL836,9.1
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,7.82
+COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]ccc34)cc12,CHEMBL421328,7.777
+CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,CHEMBL1185,7.005
+C[C@H]1C[C@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80173,8.22
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL76747,8.503
+C[C@H]1C[C@H](c2cc3ccccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL311701,8.5
+O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@@H](c1cc3ccccc3s1)C2,CHEMBL309666,7.33
+C[C@H]1C[C@H](c2cc3c(F)cccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL78450,8.085
+C[C@H]1C[C@H](c2cc3ccc(Cl)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80618,7.765
+C[C@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL78202,7.605
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL310883,7.82
+C[C@H]1C[C@H](c2cc3cc(Cl)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL79151,8.147
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL308388,8.073
+Cc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL311964,8.127
+C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL309396,8.217
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL307874,8.62
+COc1ccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc2c1OC,CHEMBL310063,8.95
+C[C@@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL79205,7.855
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,7.19
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL420997,6.8
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.415
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,7.31
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,7.62
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL97650,7.46
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,7.6
+Cn1nnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL330603,7.29
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cn[nH]n4)cc23)CC1,CHEMBL97422,7.35
+Cn1ccnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL318735,8.48
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1,CHEMBL329280,7.31
+CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL93240,8.66
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,7.48
+Cn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL328940,6.54
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,7.33
+Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL328048,8.24
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,6.89
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,7.17
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,7.48
+CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL330171,6.56
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL421573,7.92
+CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL318249,6.63
+Cn1cnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL327662,7.4
+Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL98299,7.96
+Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL97184,7.74
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,7.26
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,7.54
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL94612,7.89
+O=C(N[C@@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)C1CCCCC1,CHEMBL275964,9.1
+CN(C(=O)C1CCCCC1)[C@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1,CHEMBL10793,8.35
+O=C(N[C@@H](Cc1ccccc1)CN1CCN(c2nsnc2Cl)CC1)c1ccncc1,CHEMBL10764,6.37
+COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)c2ccccc2)CC1,CHEMBL10603,8.0
+COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2CCCCC2)CC1,CHEMBL10796,8.82
+COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1,CHEMBL266393,8.52
+COc1ccc2[nH]cc(CCN3CCCC3)c2c1F,CHEMBL352186,9.92
+COc1ccc2[nH]cc(CCN(C)C)c2c1F,CHEMBL142862,9.64
+c1ccc(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)cc1,CHEMBL103772,6.74
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,6.77
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,6.055
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,6.21
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,6.32
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,6.85
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,5.74
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,6.28
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,8.96
+CCCN1CCC2c3c(cccc3C(N)=O)CCC21,CHEMBL69125,8.54
+O=C(NCCN1CCN(c2cccc3c2OCC(CO)O3)CC1)c1ccc(F)cc1,CHEMBL69326,8.54
+Fc1ccc2[nH]cc(CCNCCOc3cccc4c3OCCO4)c2c1,CHEMBL124700,8.24
+Fc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1,CHEMBL2112644,8.04
+Fc1cc(OCCNCCCc2c[nH]c3ccc(F)cc23)c2occc2c1,CHEMBL340895,7.89
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCC2,CHEMBL435612,7.45
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1,CHEMBL126424,8.82
+COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12,CHEMBL332589,7.04
+c1ccc2c(OCCNCCCc3c[nH]c4ccccc34)cccc2c1,CHEMBL126253,7.77
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCC4)c2c1,CHEMBL338982,8.8
+c1ccc2c(CCCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1,CHEMBL338587,8.38
+c1ccc2c(CCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1,CHEMBL340301,8.6
+COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12,CHEMBL124818,8.11
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1,CHEMBL126407,8.8
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2,CHEMBL124638,8.07
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3CCCC4)c2c1,CHEMBL339559,6.77
+c1cnc2c(OCCNCCCc3c[nH]c4ccccc34)cccc2c1,CHEMBL340705,9.27
+Nc1cccc(-c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2)n1,CHEMBL87187,8.52
+COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1csc4ccccc14)C3)CO2,CHEMBL148860,8.8
+COc1cccc2c1O[C@@H](CN1C3C=C(n4ccc5cc(F)ccc54)CC1CC3)CO2,CHEMBL150050,6.89
+CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccc4ccccc4c1)C3)CO2,CHEMBL151786,8.23
+CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccc1)C3)CO2,CHEMBL147477,8.52
+COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1cccc(C(F)(F)F)c1)C3)CO2,CHEMBL435279,9.48
+CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1csc4ccccc14)C3)CO2,CHEMBL344745,7.78
+COc1ccccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C[C@H]1COc2cccc(OC)c2O1,CHEMBL421950,7.41
+CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1cccc(C(F)(F)F)c1)C3)CO2,CHEMBL149888,8.53
+COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccc1)C3)CO2,CHEMBL151266,8.82
+COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccc4ccccc4c1)C3)CO2,CHEMBL146751,9.09
+COc1cccc2c1O[C@@H](CN1C3C=C(c4cccc5ccccc45)CC1CC3)CO2,CHEMBL356904,6.45
+COc1cccc2c1O[C@@H](CN1C3C=C(c4cccc5cccnc45)CC1CC3)CO2,CHEMBL348708,6.51
+COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccn1)C3)CO2,CHEMBL355953,7.34
+CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccn1)C3)CO2,CHEMBL357985,7.21
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1/C=C\CN(C)C,CHEMBL2111779,6.2
+CN(C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O,CHEMBL119264,6.07
+CCc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL50492,7.82
+CCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111376,7.38
+CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111284,6.24
+CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322054,6.24
+CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1,CHEMBL418823,5.81
+CCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL109526,7.06
+CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL128,6.446000000000001
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,8.49
+CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL109839,6.05
+CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL107617,7.2
+CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111150,6.04
+NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12,CHEMBL110318,6.1
+CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL321190,8.03
+CCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL320079,7.42
+CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL111283,5.93
+CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL322349,6.39
+CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1,CHEMBL414420,5.64
+CCc1ccc2[nH]cc(CCN)c2c1,CHEMBL107511,7.7
+CC(=O)c1ccc2[nH]cc(CCN)c2c1,CHEMBL110317,8.89
+Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1,CHEMBL77395,6.7
+CN(C)CCSc1nc2ccccc2s1,CHEMBL161846,6.08
+CN(C)CCSc1cccc(C2CCCCC2)n1,CHEMBL158402,8.06
+CN(C)CCSC(C)(C)C,CHEMBL158973,7.77
+CN(C)CCSc1nc(C(C)(C)C)cs1,CHEMBL161203,5.66
+CN(C)CCSc1nc(-c2ccncc2)cs1,CHEMBL350166,7.05
+CN(C)CCSc1cccc(-c2ccccc2)n1,CHEMBL161765,7.8
+CN(C)CCSc1cccc(Br)n1,CHEMBL158285,7.43
+CN(C)CCSc1ccnc(-c2ccccc2)c1,CHEMBL162071,5.92
+CN(C)CCSc1nc(-c2ccccc2)cs1,CHEMBL345803,6.68
+CN(C)CCSc1cccc(C2(O)CCCCC2)n1,CHEMBL159143,7.39
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,6.58
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,6.37
+COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1,CHEMBL2112774,8.42
+COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL2112779,9.68
+COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL2112778,9.7
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,9.07
+COc1cccc2c1CCCC2CCCNCCOc1ccccn1,CHEMBL344432,9.64
+COc1ccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc2c1,CHEMBL57494,8.84
+CC(C)Oc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL300763,8.13
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1,CHEMBL300115,8.43
+Oc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc12,CHEMBL301272,8.15
+Cc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)sc2c1,CHEMBL56191,7.65
+Cc1c(C2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)sc2ccccc12,CHEMBL299485,8.2
+Cc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL56156,8.33
+Oc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL55874,8.51
+Cc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL60748,7.9
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3c(Cl)cccc3s2)CC1,CHEMBL57296,8.04
+COc1ccc2c(C)c(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL57411,8.22
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3c(F)cccc3s2)CC1,CHEMBL301677,8.17
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5c(C)cccc5s4)CC3)cccc2[nH]1,CHEMBL294880,7.98
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL56795,8.72
+Cc1c(C2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)sc2ccc(F)cc12,CHEMBL54890,8.29
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(Cl)cc3s2)CC1,CHEMBL293126,8.12
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3cc(F)ccc3s2)CC1,CHEMBL56147,7.53
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)cc12,CHEMBL300340,8.32
+Cc1cc(C)c2cc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)sc2c1,CHEMBL59437,7.56
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3cc(Cl)ccc3s2)CC1,CHEMBL56303,8.14
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5c(F)cccc5s4)CC3)cccc2[nH]1,CHEMBL417782,7.85
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5cc(F)ccc5s4)CC3)cccc2[nH]1,CHEMBL293065,8.12
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(F)cc3s2)CC1,CHEMBL56601,8.03
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5ccc(F)cc5s4)CC3)cccc2[nH]1,CHEMBL297742,7.81
+COc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc12,CHEMBL57385,8.21
+CC(C)Oc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL301661,7.7
+COc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL57277,8.5
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12,CHEMBL129053,7.84
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cccc5occc45)C[C@@H]3C)cccc2[nH]1,CHEMBL2112352,8.91
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL421660,8.15
+COc1cccc2ccc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12,CHEMBL2112353,7.96
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4cccc5sccc45)C[C@@H]3C)cccc2[nH]1,CHEMBL313023,8.74
+O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1,CHEMBL327227,8.43
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5c(C)csc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112355,8.11
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccoc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112354,8.98
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5sccc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL314163,8.84
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccccc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112350,8.29
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccsc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112358,8.35
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cccc5ccsc45)C[C@@H]3C)cccc2[nH]1,CHEMBL2112357,9.04
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5occc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL329583,8.86
+O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(c2csc3ccccc23)CC1,CHEMBL92262,8.74
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5scc(C)c5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112356,8.51
+CN1CCN(c2cccc3ccc(OCCOc4ccc5[nH]cc(CCN)c5c4)cc23)CC1,CHEMBL31217,9.02
+CN1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CCN)c6c5)cc4)cc23)CC1,CHEMBL282950,8.24
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(C(=O)COc5ccc6cccc(N7CCN(C)CC7)c6c5)CC4)cc23)CC1,CHEMBL285402,8.4
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,8.035
+CN1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CCN(C)CC6)c5c4)cc23)CC1,CHEMBL30831,7.85
+CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4c3CC(N(CCC)CCC)CC4)c2C1,CHEMBL29951,8.17
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,7.045
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1,CHEMBL298595,9.47
+CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl,CHEMBL55790,6.36
+CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL294829,7.06
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1,CHEMBL56869,8.89
+CC1CN(c2ccccc2[N+](=O)[O-])CC(C)N1CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL294705,6.4
+COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1,CHEMBL57540,8.42
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1,CHEMBL292686,7.59
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL299454,8.97
+Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL58476,7.28
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1,CHEMBL293539,7.92
+Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL291908,7.6
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1,CHEMBL56805,7.58
+COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL61204,6.28
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1,CHEMBL55647,7.95
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL301224,7.76
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1,CHEMBL56804,8.92
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL57593,8.37
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1,CHEMBL56899,7.21
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL59262,7.58
+CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL292672,6.35
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1,CHEMBL440118,6.61
+O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2,CHEMBL299253,8.03
+CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL300152,6.68
+CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL58930,6.9
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL57425,6.22
+O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL55319,6.4
+CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1,CHEMBL57317,6.98
+O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2,CHEMBL292366,7.04
+COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1,CHEMBL57168,7.26
+Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL431354,6.56
+COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1,CHEMBL57859,8.63
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL57747,8.09
+CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL55460,6.14
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1,CHEMBL59315,8.87
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL56150,7.7
+Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL55654,6.87
+CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1,CHEMBL56403,7.18
+O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL294235,6.59
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL57364,8.96
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL57999,8.47
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1,CHEMBL293980,7.92
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1,CHEMBL56292,8.28
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1,CHEMBL57882,6.8
+CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL60583,9.27
+COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL301019,7.87
+Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1,CHEMBL298808,5.63
+CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL56878,8.39
+Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL59149,7.16
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL431943,7.7
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1,CHEMBL293968,7.45
+N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL57868,7.53
+COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL417939,6.59
+N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL299022,8.27
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1,CHEMBL56851,6.63
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,7.405
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1,CHEMBL58384,6.09
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL293111,6.89
+Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1,CHEMBL293734,7.07
+COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C(N)=O)cc34)cc12,CHEMBL129682,7.91
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@H](C)C3)cc12,CHEMBL126396,7.69
+COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12,CHEMBL129453,8.04
+COc1cc(OC)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL128866,7.64
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccc(F)cc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL434440,7.91
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(F)ccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129238,8.25
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@H](C)C3)cc12,CHEMBL338777,7.57
+COc1cccc2sc([C@@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12,CHEMBL129233,7.68
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12,CHEMBL130238,7.49
+Cc1cc2c(OC[C@@H](O)CN3CC[C@H](c4cc5cccc(F)c5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129477,7.71
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@H](C)C3)cc12,CHEMBL338298,7.55
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cccc(F)c5s4)C[C@H]3C)cccc2[nH]1,CHEMBL338712,8.67
+COc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL339086,7.87
+Cc1cc(C)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL129605,6.98
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(Cl)ccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL440525,7.81
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5c(C)cccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL131370,7.98
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5c(F)cccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129082,9.12
+Cc1cc2c(OC[C@@H](O)CN3CC[C@H](c4cc5cccc(F)c5s4)C[C@H]3C)cccc2[nH]1,CHEMBL340374,8.01
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12,CHEMBL339577,7.9
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@H](C)C3)cc12,CHEMBL338372,8.32
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12,CHEMBL129433,8.2
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@@H](C)C3)cc12,CHEMBL129650,8.39
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cccc(F)c5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL338632,8.87
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,8.17
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.94
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,9.35
+COc1cccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)c1,CHEMBL352234,8.01
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4cccc5ccccc45)CC3)cc12,CHEMBL160581,8.05
+COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78785,6.9
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL80599,7.95
+CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1,CHEMBL78874,6.39
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL77618,6.0
+COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1,CHEMBL80132,7.49
+COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL420959,8.86
+COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL81486,6.49
+COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80730,7.99
+COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL311479,7.85
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1,CHEMBL420205,7.62
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL77901,7.89
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL79161,8.83
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1,CHEMBL310599,7.94
+COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80458,7.12
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80260,6.87
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80641,8.61
+CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL97450,6.5
+CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1,CHEMBL22778,7.06
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,7.51
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3,CHEMBL284586,7.39
+CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL281357,7.1
+Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL27940,7.84
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,8.3
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,6.15
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,6.45
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,6.69
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,7.76
+CCO[C@@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL280804,7.72
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,6.85
+CCO[C@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281554,8.74
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,7.77
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,5.83
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,6.7
+CCc1[nH]c2ccc(OC)cc2c1CCN(C)C,CHEMBL267615,6.77
+NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143512,7.74
+CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143967,7.64
+CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143767,7.4
+CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143510,7.57
+COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1,CHEMBL344127,8.89
+NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147901,8.66
+NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12,CHEMBL357830,8.4
+NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL424128,8.74
+NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCCCCCOc5ccc6[nH]cc(CCN)c6c5)cc4)cc3)cc12,CHEMBL342323,8.78
+NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL144397,8.07
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL356277,8.39
+NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL148314,8.37
+NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL343196,7.84
+CC(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL331240,6.99
+NCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL147851,8.02
+NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12,CHEMBL148022,9.0
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL146720,7.7
+NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12,CHEMBL144030,8.8
+NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12,CHEMBL147677,8.66
+NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12,CHEMBL144128,8.02
+NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12,CHEMBL357478,8.01
+COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1,CHEMBL38413,9.45
+OC(COc1cc(F)cc2c1OCCC2)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL112841,8.26
+CCN(CC)CCc1c[nH]c2ccccc12,CHEMBL142936,7.33
+CCN(CC)CCc1c[nH]c2ccc(OC)cc12,CHEMBL342986,8.77
+CN(C)CCc1c[nH]c2cc(F)cc(O)c12,CHEMBL143031,6.94
+CCN(CC)CCc1c[nH]c2cc(F)ccc12,CHEMBL444612,6.59
+COc1cc2c(CCN(C)C)c[nH]c2cc1F,CHEMBL337590,7.07
+CCN(CC)CCc1c[nH]c2cccc(O)c12,CHEMBL143202,7.31
+CN(C)CCc1c[nH]c2c(F)ccc(O)c12,CHEMBL142368,6.92
+Fc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28997,5.56
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,6.39
+Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL282424,6.0
+C=Cc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL29808,5.4
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,5.18
+Cc1cc(C)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)sc2c1,CHEMBL79543,7.02
+C[C@H]1C[C@H](c2cc3c(C(F)(F)F)cccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80777,7.62
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL318604,7.03
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL318738,7.36
+Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL106481,6.77
+Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL105390,7.08
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3[nH]ccc23)C1,CHEMBL104229,7.96
+Fc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL105204,7.08
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL104144,7.11
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL442391,7.15
+Fc1ccc2c(C3CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL322915,7.71
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3[nH]ccc23)C1,CHEMBL421027,7.67
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,6.43
+CN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5,CHEMBL120927,7.21
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,6.75
+CN1CCc2ccc3ncc4cccc5c4c3c2[C@H]1C5,CHEMBL122453,7.47
+COc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1,CHEMBL321133,7.01
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1,CHEMBL104753,6.4
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1,CHEMBL104496,8.29
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1,CHEMBL105958,7.4
+CC(=O)Nc1ncc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL104158,6.11
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CC4)nc23)CC1,CHEMBL104720,5.85
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL320198,6.7
+CC(=O)Nc1cc2c(C3CCN(C)CC3)c[nH]c2cn1,CHEMBL104026,8.7
+COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL321562,7.7
+Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105025,6.97
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(C#N)c4)nc23)CC1,CHEMBL419547,7.0
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)nc23)CC1,CHEMBL105118,6.89
+CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL103503,7.77
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc23)CC1,CHEMBL103550,6.87
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCC4)nc23)CC1,CHEMBL420475,5.7
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4F)nc23)CC1,CHEMBL104384,7.38
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc23)CC1,CHEMBL104692,7.42
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1,CHEMBL321967,5.7
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4)nc23)CC1,CHEMBL105743,7.14
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL103424,7.17
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1,CHEMBL105091,6.25
+Cc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1,CHEMBL420101,7.52
+CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL431041,6.21
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,7.25
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(C#N)cc4)nc23)CC1,CHEMBL104484,7.51
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL101690,7.66
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])nc23)CC1,CHEMBL321343,7.19
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1,CHEMBL102250,6.08
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccn4)nc23)CC1,CHEMBL105722,7.39
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccs4)nc23)CC1,CHEMBL321080,6.46
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,6.0
+CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCCC4)nc23)CC1,CHEMBL418806,6.18
+Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1,CHEMBL449406,7.0
+CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12,CHEMBL158941,7.75
+CNCCc1c[nH]c2ccc(C(C)(C)C)cc12,CHEMBL357034,8.21
+CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL1278,7.35
+CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,CHEMBL1279,7.21
+CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,CHEMBL905,6.69
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C#N)CC3)cccc2c1=O,CHEMBL125989,8.66
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C(N)=O)CC3)cccc2c1=O,CHEMBL125365,8.92
+CC1=[N+]([O-])ONC1=COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL338608,8.8
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL278865,8.23
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O,CHEMBL338029,8.14
+COc1ccc2ccc(N3CCNCC3)cc2c1,CHEMBL129661,8.55
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc23)CC1,CHEMBL129813,7.85
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5ccccc5C#N)CC4)cc23)CC1,CHEMBL2112660,7.91
+Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1,CHEMBL128699,6.93
+COc1cccc(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c1OC,CHEMBL338015,7.87
+Cc1ccccc1N1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL340786,7.31
+Cc1ccccc1CN1CCN(C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)CC1,CHEMBL2112662,7.64
+COc1ccc(NC(=O)c2ccc(-c3ccc(C4=NOC(C)N4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL339308,7.14
+CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1,CHEMBL2112661,6.94
+COc1ccc2occ3c2c1[C@H](CN)CC3,CHEMBL119584,6.07
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL119323,6.28
+COc1ccc2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL116209,5.52
+COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2,CHEMBL445106,6.02
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL331864,6.26
+COc1cc(Br)c2occ3c2c1[C@H](CN)CC3,CHEMBL116940,6.98
+COc1ccc2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL117689,6.0
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,6.46
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,6.1
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,6.59
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL15928,7.13
+COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL69385,5.61
+CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71838,5.96
+COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71635,6.01
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,6.05
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,8.44
+NCCc1c[nH]c2ccc(OCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL120272,7.82
+CS(=O)(=O)NCc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL117157,7.02
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4CN)CC3)cc12,CHEMBL332063,7.87
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL334323,7.62
+NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL120514,7.37
+CN(C)S(=O)(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL1203216,7.39
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc12,CHEMBL421064,7.96
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(NC(=O)c5ccccc5)cc4)CC3)cc12,CHEMBL334193,7.21
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(CN)cc4)CC3)cc12,CHEMBL121499,6.89
+NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL121207,7.89
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL334159,6.22
+Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1,CHEMBL120055,8.105
+NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12,CHEMBL116314,7.29
+CS(=O)(=O)NCc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1,CHEMBL120480,8.29
+NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12,CHEMBL324289,7.8
+CS(=O)(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL121901,7.16
+CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CCCCCOc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,CHEMBL331037,7.99
+N#Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1,CHEMBL119927,7.82
+NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12,CHEMBL332142,8.28
+O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL135974,9.08
+COc1cccc(OC)c1O[C@@H]1CCC(NCC2COc3ccccc3O2)C1O,CHEMBL2112713,7.385
+COc1ccccc1O[C@@H]1CCC(NCC2COc3ccccc3O2)C1O,CHEMBL2112711,7.59
+O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL134428,7.65
+O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL132378,8.43
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,8.68
+O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL135973,8.26
+O=C1Nc2cccc3c2C1(CCCCN1CCc2sccc2C1)CCC3,CHEMBL314055,6.29
+CN1C(=O)C2(CCCCN3CCc4sccc4C3)CCCc3cccc1c32,CHEMBL85602,6.11
+O[C@H]1c2ccccc2C[C@H]1N1CC=C(c2cccc3c2OCCO3)CC1,CHEMBL51137,7.64
+O[C@@H]1c2cc(F)ccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL49206,8.88
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1,CHEMBL51457,9.36
+O[C@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCC3)CC1,CHEMBL301518,6.5
+Cc1ccc2c(c1)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2,CHEMBL301806,9.26
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cc(F)cc3c2OCCC3)CC1,CHEMBL297017,8.31
+O[C@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL49113,7.94
+O[C@@H]1c2cc(F)ccc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1,CHEMBL47433,9.11
+OCC1COc2c(cc(Cl)cc2N2CCN([C@@H]3Cc4cc(F)ccc4[C@H]3O)CC2)O1,CHEMBL412357,7.98
+O[C@H]1c2ccccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL416283,7.17
+COc1ccc2c(c1)[C@@H](O)[C@H](N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL298096,9.35
+O[C@@H]1c2cc(F)c(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1,CHEMBL48876,8.66
+O=[N+]([O-])c1ccc2c(c1)[C@@H](O)[C@H](N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL298363,9.13
+O[C@@H]1c2cc3c(cc2C[C@H]1N1CCC(c2cccc4c2OCCO4)CC1)OCO3,CHEMBL48767,9.28
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cc(Cl)cc3c2OCCO3)CC1,CHEMBL297925,8.88
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCC3)CC1,CHEMBL299817,8.89
+c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL49247,9.1
+O[C@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1,CHEMBL49455,7.57
+O=[N+]([O-])c1ccc2c(c1)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2,CHEMBL410530,9.54
+COc1ccc2c(c1)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2,CHEMBL298855,8.96
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CC=C(c2cccc3c2OCCO3)CC1,CHEMBL300739,9.07
+O[C@@H]1c2ccccc2C[C@H]1N1CCC(c2cccc3c2OCCO3)CC1,CHEMBL50119,9.15
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CC=C(c2cccc3c2SCCC3)CC1,CHEMBL49006,7.93
+COc1cc2c(cc1OC)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2,CHEMBL49838,7.1
+O[C@@H]1c2ccccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL299405,8.79
+COc1ccc2c(c1)[C@H](O)[C@H](N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL48370,7.76
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCC3)CC1,CHEMBL48713,8.82
+O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCC3)CC1,CHEMBL45966,9.52
+O[C@@H]1c2cc(F)c(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL50903,8.67
+Cc1ccc2c(c1)C[C@@H](N1CCC(c3cccc4c3OCCO4)CC1)[C@@H]2O,CHEMBL51882,8.93
+O[C@@H]1c2ccccc2C[C@H]1N1CC=C(c2cccc3c2OCCO3)CC1,CHEMBL49497,9.08
+COc1ccc2c(c1)C[C@@H](N1CCN(c3cccc4c3OCCO4)CC1)[C@H]2O,CHEMBL300709,7.63
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)cc1,CHEMBL261917,6.1
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,6.1
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(-c2ccccc2)cc1,CHEMBL97637,6.2
+Cc1cc(N2CCNCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2n1,CHEMBL97211,6.1
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,6.8
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL97158,6.0
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,6.6
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95823,6.0
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,8.7
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,10.2
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,6.0
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,5.8
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,6.5
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,6.4
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.32
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,6.0
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL157910,5.4
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.3
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL69257,6.77
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC,CHEMBL341665,6.13
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.3
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,6.422999999999999
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,6.425
+CNC(=O)Cn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL553794,6.89
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,6.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.7
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,6.2
+N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL2113718,6.29
+C#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL57176,6.57
+c1ccc(-c2c[nH]c(CN3CCN(c4ccccc4)CC3)c2)cc1,CHEMBL60815,6.1
+N#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL56118,6.35
+CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1,CHEMBL310867,5.6
+N=C(N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL307364,7.215
+Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160932,5.35
+N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160626,5.66
+c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL540039,7.35
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL59725,6.505
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,7.007000000000001
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,7.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1,CHEMBL141419,7.16
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,CHEMBL342060,7.82
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[te]1,CHEMBL337531,6.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,CHEMBL336930,7.72
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL423735,7.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL424294,7.39
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,CHEMBL344677,7.66
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL142020,7.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,7.77
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.4
+Oc1ccc2[nH]cc(/C=N/Nc3ncc[nH]3)c2c1,CHEMBL77734,6.01
+N=C(NCCc1ccc(Cl)c(Cl)c1)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL545461,6.32
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(=O)[nH]c12,CHEMBL74208,5.38
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC(C)C)cc12,CHEMBL75420,6.49
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OCC=C(C)C)cc12,CHEMBL74594,4.93
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL6621,7.39
+CCCCCCCN(C)C(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL76552,5.8
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,8.74
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c1-3,CHEMBL281273,6.86
+COc1cccc(OC)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL283065,6.26
+O=C1Nc2cccc3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL25815,6.77
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccsc5)c4)CC3)c2o1,CHEMBL310045,7.77
+O=c1[nH]c2cccc(N3CCN(Cc4ccc(O)c(-c5ccccc5)c4)CC3)c2o1,CHEMBL80230,8.12
+O=c1[nH]c2cccc(N3CCN(Cc4cncc(-c5ccccc5)c4)CC3)c2o1,CHEMBL76990,8.11
+Cc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL305834,7.46
+O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccc(F)cc5)ccn4)CC3)c2o1,CHEMBL308345,7.8
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccc(Cl)c5)c4)CC3)c2o1,CHEMBL77934,7.38
+O=C1COc2c(cccc2N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)N1,CHEMBL305920,7.31
+Cn1c(=O)oc2c(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)cccc21,CHEMBL306634,6.89
+N#Cc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL80156,7.64
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccs5)c4)CC3)c2o1,CHEMBL75621,7.49
+COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,CHEMBL58377,9.0
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL77472,9.04
+COc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL309215,7.68
+O=C(NCCN1CCN(c2cccc3[nH]c(=O)oc23)CC1)c1ccc(F)cc1,CHEMBL78058,8.1
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,CHEMBL218166,8.03
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCN5)CC3)c2)cc1,CHEMBL310048,7.59
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)n4)CC3)c2o1,CHEMBL419275,6.7
+c1ccc(-c2cccc(CN3CCN(c4cccc5ccoc45)CC3)c2)cc1,CHEMBL308875,7.42
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4CCCN5)CC3)c2)cc1,CHEMBL308476,7.07
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)c4)CC3)c2o1,CHEMBL306830,7.85
+O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccccc5)ccc4F)CC3)c2o1,CHEMBL77334,7.39
+Fc1ccc(-c2ccc(CN3CCN(c4cccc5ccoc45)CC3)[nH]2)cc1,CHEMBL292187,8.82
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCO5)CC3)c2)cc1,CHEMBL78241,7.82
+N#Cc1ccccc1-c1cccc(CN2CCN(c3cccc4[nH]c(=O)oc34)CC2)c1,CHEMBL420016,7.49
+O=c1[nH]c2cccc(N3CCN(Cc4ccnc(-c5ccc(F)cc5)c4)CC3)c2o1,CHEMBL74805,7.68
+O=C1c2ccccc2C(=O)N1CCCCN1CCn2c(cc3ccccc32)C1,CHEMBL354668,7.13
+CCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21,CHEMBL56183,8.41
+COc1cccc2c1C1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)C[C@H]1C2,CHEMBL165718,9.05
+CCCCCCN1CCc2c([nH]c3ccccc23)C1,CHEMBL163884,7.1
+CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1,CHEMBL407641,6.37
+CN1CCN(c2nc3ccccc3c(Cl)c2Sc2ccccc2)CC1,CHEMBL15242,5.7
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1,CHEMBL15270,6.8
+O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL274047,7.49
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(N2CCN(C)CC2)n1,CHEMBL14998,5.82
+CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1,CHEMBL14899,6.34
+CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL419792,7.14
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,7.62
+CCCN(CCC)CCc1cccc2c1CC(=O)N2,CHEMBL589,5.77
+CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL422344,7.04
+CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL434665,7.24
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC(n2c(=O)[nH]c4ccccc42)CC1)O3,CHEMBL418802,9.22
+NC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL320880,9.52
+CCCCOC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL102175,8.52
+N#Cc1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL101535,9.3
+O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]ccc4c3O1)CC2,CHEMBL317433,9.4
+O=C(OCc1ccccc1)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL318166,9.0
+O=C(NCCCc1ccccc1)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3,CHEMBL103983,8.8
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL320173,9.05
+O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]c(CO)cc4c3O1)CC2,CHEMBL323088,9.22
+CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(C(=O)OC)cc4c3O2)CC1,CHEMBL319023,8.92
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3,CHEMBL318374,9.7
+O=C(O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL106283,7.75
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC(Nc2ccccc2)(C(N)=O)CC1)O3,CHEMBL101483,7.66
+O=C(c1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1)N1CCc2ccccc21,CHEMBL165364,8.04
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1,CHEMBL61440,8.47
+O=C(c1cccc(CN2CCN3c4ccccc4OCC3C2)c1)N1CCc2ccccc21,CHEMBL423642,8.19
+O=C(c1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1)N1CCCCC1,CHEMBL423632,7.89
+O=C(c1cccc(CN2CCN3c4ccccc4OCC3C2)c1)N1CCCCC1,CHEMBL164330,7.92
+C=CCN1CC[C@H]2c3c(cccc3OC)CC[C@@H]21,CHEMBL279207,9.7
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1,CHEMBL71707,5.1
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.0
+CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL158627,5.5
+O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(Cl)cc2)CC1)CCC3,CHEMBL348890,6.5
+COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1,CHEMBL42472,8.19
+COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1,CHEMBL40325,7.99
+COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1,CHEMBL42558,7.97
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1,CHEMBL43905,7.82
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O,CHEMBL44403,7.96
+COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1,CHEMBL42231,8.2
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,7.93
+O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1,CHEMBL113752,8.23
+OC(CNCCCCCCN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc12,CHEMBL444794,8.17
+OC(CNCCCCCCN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2ccccc12,CHEMBL116444,6.81
+OC(CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1ccccc1C1CCCC1,CHEMBL114893,7.44
+CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNCC(O)COc1cccc2[nH]ccc12,CHEMBL117972,7.34
+O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1,CHEMBL326088,7.8
+O[C@H](CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc12,CHEMBL117269,6.85
+O[C@H](CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc12,CHEMBL113960,7.22
+CC(C)NC[C@H](O)COc1cccc2[nH]ccc12,CHEMBL117405,6.96
+O[C@@H](CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc12,CHEMBL116809,8.11
+OC(CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc12,CHEMBL115003,7.73
+O[C@@H](CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc12,CHEMBL116626,7.48
+OC(CNCCCCCCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc12,CHEMBL117825,6.41
+CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL119455,7.31
+O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1,CHEMBL180700,8.8
+O=C1COc2ccc(OC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL183332,7.9
+O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1,CHEMBL183034,8.9
+O=C1COc2ccc(OCC3CCCN(CCOc4cccc5ncccc45)C3)cc2N1,CHEMBL183901,8.8
+O=C1COc2ccc(CN3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL180182,8.0
+O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL180557,8.9
+O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]ccc45)CC3)cc2N1,CHEMBL2113021,8.4
+N#Cc1cc2c(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL3706797,8.8
+CC1(C)OC2C=CC=CC2=C1OCCN1CCC(Oc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL180405,8.7
+O=C1COc2ccc(OC3CCN(CCOc4cccc5ccccc45)CC3)cc2N1,CHEMBL180445,8.6
+O=C1COc2ccc(OC3CCN(CCOc4nccc5ccccc45)CC3)cc2N1,CHEMBL183551,8.1
+O=C1COc2ccc(OC3CCN(CCOc4cccc5cccnc45)CC3)cc2N1,CHEMBL181186,8.2
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL446180,7.62
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,7.26
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,6.44
+CN1CCC(c2[nH]nc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL184597,6.06
+CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL445651,6.8
+CN1CCC(n2ncc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL365405,6.51
+CN1CCC(n2ccc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361303,7.96
+CN1CCC(C2CNc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL187952,6.607
+CN1CCC(N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL361061,7.92
+CN1CCC(N2CCOc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1,CHEMBL184994,6.07
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,6.46
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,5.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL182379,7.48
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1,CHEMBL184383,6.89
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1,CHEMBL184993,7.57
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1,CHEMBL183871,7.34
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1,CHEMBL182652,8.0
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1,CHEMBL362101,7.62
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1,CHEMBL444015,5.78
+COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1,CHEMBL181066,7.01
+Nc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ccc(Cl)cc32)cc1,CHEMBL178870,6.94
+O=S(=O)(c1ccccc1F)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL180606,6.06
+c1ccc(CC2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL178650,7.94
+c1ccc(CC2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL178700,7.75
+O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc21,CHEMBL179397,6.53
+O=C1c2ccccc2CCC1CN1CCC(Cc2ccccc2)CC1,CHEMBL434905,6.59
+O=C1c2ccccc2OCC1CN1CCC(Cc2ccccc2)CC1,CHEMBL178519,6.59
+O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12,CHEMBL426958,6.92
+COc1ccc2c(c1)CC(CN1CCC(Cc3ccccc3)CC1)CC2,CHEMBL178680,7.27
+COc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2,CHEMBL179371,7.24
+c1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1,CHEMBL369091,6.73
+c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL179648,7.68
+c1ccc(CN2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL359663,7.16
+O=C1c2ccccc2CCC1CN1CCN(Cc2ccccc2)CC1,CHEMBL425867,6.35
+c1ccc(CC2CCN(CC3CCc4ccccc4C3)CC2)cc1,CHEMBL180327,6.76
+c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1,CHEMBL179373,6.65
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6c5OCCO6)CC4)CC3)c2c1,CHEMBL361526,7.95
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL359495,7.44
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL178267,8.34
+COc1ccccc1OCCN[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc32)CC1,CHEMBL180817,6.51
+COc1ccccc1OCCN[C@H]1CC[C@H](c2c[nH]c3ccc(F)cc32)CC1,CHEMBL359505,7.65
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL178304,6.32
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL362823,7.72
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCCOc4cccc5[nH]ccc45)CC3)c2c1,CHEMBL178467,6.83
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCCOc4cccc5[nH]ccc45)CC3)c2c1,CHEMBL359549,8.97
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCC4COc5ccccc5O4)CC3)c2c1,CHEMBL181680,6.48
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCC4COc5ccccc5O4)CC3)c2c1,CHEMBL362430,6.71
+COc1ccccc1N1CCN([C@H]2CC[C@@H](c3c[nH]c4ccc(F)cc43)CC2)CC1,CHEMBL181784,6.89
+COc1ccccc1N1CCN([C@H]2CC[C@H](c3c[nH]c4ccc(F)cc43)CC2)CC1,CHEMBL181506,7.84
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6c5OCCO6)CC4)CC3)c2c1,CHEMBL360140,7.18
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,6.32
+CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL608530,6.43
+CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL611207,7.085
+C[C@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL371149,8.92
+C[C@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL435111,8.72
+C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL372205,8.8
+C[C@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL193206,9.0
+C[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL192092,8.29
+C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL365350,8.07
+C[C@@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL192020,8.04
+C[C@@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL195425,8.47
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,6.77
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,6.7
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1Cl,CHEMBL609742,6.26
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,6.63
+C1=C(c2cc3ccccc3[nH]2)CC2CCC1N2CCOc1cccc2ncccc12,CHEMBL366091,6.49
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2[nH]ccc12,CHEMBL185624,6.53
+C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12,CHEMBL360637,6.95
+C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2c1OCCO2,CHEMBL2113030,7.07
+O[C@H](COc1cccc2[nH]ccc12)CN1C2C=C(c3ccc4ccccc4c3)CC1CC2,CHEMBL186202,6.76
+O[C@H](COc1cccc2[nH]ccc12)CN1C2C=C(c3ccc(Cl)c(Cl)c3)CC1CC2,CHEMBL441316,6.97
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,6.9
+Cc1cccc(N2CCN(CCc3ccc4n[nH]nc4c3)CC2)c1C,CHEMBL184770,7.08
+c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1,CHEMBL363124,7.41
+COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1,CHEMBL183776,7.1
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1,CHEMBL181898,7.06
+c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1,CHEMBL185436,6.76
+COc1ccccc1N1CCN(CC2=NS(=O)(=O)c3ccc(C)cc3N2)CC1,CHEMBL178113,6.97
+COc1ccccc1N1CCN(CC2=NS(=O)(=O)c3ccc(Cl)cc3N2)CC1,CHEMBL181373,7.33
+COc1ccccc1N1CCN(CC2Nc3ccccc3S(=O)(=O)N2)CC1,CHEMBL180874,7.78
+COc1ccccc1N1CCN(CC2Nc3cc(Cl)ccc3S(=O)(=O)N2)CC1,CHEMBL359915,8.04
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,6.0
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.3
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.1
+O=C1COc2ccc(OC3CCN(CCOc4ccnc5ccccc45)CC3)cc2N1,CHEMBL181143,7.0
+Cc1ccc2c(OCCN3CCN(CN4C=Cc5cc(O)ccc5O4)CC3)cccc2n1,CHEMBL192176,7.2
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL365810,6.1
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+](=O)[O-],CHEMBL193268,6.4
+Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL192536,6.3
+Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL191605,7.4
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL364495,7.2
+Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1,CHEMBL363413,7.1
+Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1,CHEMBL2113061,6.0
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1,CHEMBL191921,6.4
+Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1,CHEMBL362992,6.4
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1,CHEMBL190190,6.4
+Cc1ccc2c(OCCN3CCN(Cc4cccc5nc[nH]c45)CC3)cccc2n1,CHEMBL190298,6.8
+CN(C)CC(O)COc1cccc2[nH]ccc12,CHEMBL326134,7.62
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,8.28
+CCN(CC)C(=O)[C@@]1(c2ccccc2)CC1CNCC(O)COc1cccc2[nH]ccc12,CHEMBL198072,7.35
+COc1cccc2c1CCCC2CN(C)CCc1cccc(F)c1,CHEMBL198045,8.49
+COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)OCO2,CHEMBL9831,8.17
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL194727,7.82
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL196744,7.22
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1,CHEMBL198993,7.66
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,CHEMBL197162,7.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1,CHEMBL197214,7.62
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,CHEMBL197195,7.52
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL194755,7.29
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL195247,6.92
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,7.28
+COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL194206,5.97
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,6.39
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,6.42
+COc1ccc(NC(=O)N2CCN(c3ccc(SC)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197796,6.05
+COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1,CHEMBL195927,7.81
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,6.19
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,6.47
+COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1,CHEMBL196169,6.5
+CN1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC1,CHEMBL191971,8.2
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195114,7.9
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195497,6.3
+COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,CHEMBL195897,6.0
+CCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL434355,6.3
+CCCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C,CHEMBL371655,7.1
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL195432,7.3
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2,CHEMBL435936,5.8
+COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113097,6.8
+COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2,CHEMBL2113098,5.7
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1,CHEMBL370852,9.1
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C#N)cc2)CC4)CC1,CHEMBL194647,9.0
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2C(F)(F)F)CC4)CC1,CHEMBL194701,8.0
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2Cl)CC4)CC1,CHEMBL194809,8.3
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(C(F)(F)F)nc2)CC4)CC1,CHEMBL199088,8.5
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cccc3ncccc23)CC4)CC1,CHEMBL370625,8.4
+Cc1cc(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)c(C(F)(F)F)o1,CHEMBL199175,8.3
+Cc1nc(C)c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)o1,CHEMBL197169,8.2
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn(C)c2C(F)(F)F)CC4)CC1,CHEMBL196140,8.2
+CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cnn3ccccc23)CC4)CC1,CHEMBL380812,9.5
+Cc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccccc1,CHEMBL198975,9.2
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372743,8.9
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCNCC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL372651,8.9
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(CC)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL426285,8.5
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN(C(C)C)CC5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL198488,8.2
+CCc1c(C(=O)N2CCc3cc4ccnc(N5C[C@H](C)N[C@H](C)C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL199144,7.5
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL197947,8.8
+CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1,CHEMBL382078,8.9
+CN1CCc2c(sc3ncn(CCN4CCN(c5nccc6ccccc56)CC4)c(=O)c23)C1,CHEMBL371221,9.15
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198836,9.15
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccc6ccccc6n5)CC4)c(=O)c23)C1,CHEMBL200951,8.04
+CN1CCc2c(sc3ncn(CCN4CCN(c5ncnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL196907,7.03
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cccnc56)CC4)c(=O)c23)C1,CHEMBL199443,9.7
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccncc56)CC4)c(=O)c23)C1,CHEMBL438619,9.52
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cnccc56)CC4)c(=O)c23)C1,CHEMBL199269,9.05
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ncccc56)CC4)c(=O)c23)C1,CHEMBL197240,8.82
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.19
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,8.33
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccsc56)CC4)c(=O)c23)C1,CHEMBL197344,9.4
+CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6c5OCC6)CC4)c(=O)c23)C1,CHEMBL200315,9.22
+COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL200950,7.93
+COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197445,7.59
+COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197338,8.6
+COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196914,8.6
+COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196962,7.73
+COc1ccc(-c2ccccc2)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196961,6.37
+COc1ccc(C(F)(F)F)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL200949,6.98
+COc1ccc(C)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197064,8.25
+COc1ccc(OC)c(N2CCN(CCn3cnc4sc5c(c4c3=O)CCN(C)C5)CC2)c1,CHEMBL197011,7.62
+COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL198462,8.52
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c23)C1,CHEMBL198999,8.72
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c23)C1,CHEMBL198792,9.05
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCC(C)(C)C)CC4)c(=O)c23)C1,CHEMBL371094,8.6
+CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL196958,9.15
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5C#N)CC4)c(=O)c23)C1,CHEMBL196862,8.6
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c23)C1,CHEMBL198696,8.55
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5-c5ccccc5)CC4)c(=O)c23)C1,CHEMBL197007,8.39
+Cc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL197078,8.54
+COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1,CHEMBL199049,9.15
+COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1,CHEMBL200580,7.76
+COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1,CHEMBL427552,7.51
+COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC,CHEMBL198431,7.63
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1,CHEMBL196817,7.93
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1,CHEMBL197442,7.68
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-],CHEMBL200136,7.62
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1,CHEMBL200366,7.65
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1,CHEMBL199080,7.74
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C,CHEMBL382972,7.95
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1,CHEMBL200446,7.81
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1,CHEMBL198860,8.18
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl,CHEMBL200839,8.32
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccccc4)cc3c2=O)CC1,CHEMBL382057,6.91
+O=c1[nH]c2[nH]c(-c3ccc(Cl)cc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL199876,5.82
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(Cl)cc4)cc3c2=O)CC1,CHEMBL199875,6.4
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370136,5.97
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5OC)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370125,6.95
+Cc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370364,5.74
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(C)cc4)cc3c2=O)CC1,CHEMBL197968,6.48
+O=c1[nH]c2[nH]c(-c3ccccc3Cl)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL443567,7.19
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccccc4Cl)cc3c2=O)CC1,CHEMBL370863,7.72
+COc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL197656,5.99
+COc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2[nH]1,CHEMBL383564,6.8
+Cc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL200802,5.84
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccccc4C)cc3c2=O)CC1,CHEMBL370594,6.53
+O=c1[nH]c2[nH]c(-c3ccccc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL203362,5.81
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,6.85
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,8.87
+COc1cccc2c1OC(CNCCc1c[nH]c3ccc(F)cc13)CN2,CHEMBL206130,8.03
+CCCN1CC(CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21,CHEMBL382333,6.44
+C1=C(c2c[nH]c3ccccc23)CCN(CC2CNc3ccccc3O2)C1,CHEMBL205031,6.09
+CCN1CC(CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21,CHEMBL203726,6.87
+COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2C,CHEMBL203018,6.85
+COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2,CHEMBL383688,6.81
+c1ccc(N2CC(CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1,CHEMBL203687,7.12
+c1ccc(N2CC(CNCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1,CHEMBL203121,7.52
+Fc1ccc2[nH]cc(CCNCC3CN(Cc4ccccc4)c4ccccc4O3)c2c1,CHEMBL380655,8.14
+Fc1ccc2[nH]cc(CCNCC3CN(c4ccccc4)c4ccccc4O3)c2c1,CHEMBL203128,8.15
+c1ccc(CN2CC(CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1,CHEMBL381542,7.12
+c1ccc2c(c1)NCC(CNCCc1c[nH]c3ccccc13)O2,CHEMBL380342,8.16
+CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL203067,8.23
+CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL203282,8.09
+CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc21,CHEMBL382857,7.12
+CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL204331,7.04
+CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL382179,7.89
+CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL383446,8.55
+Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1,CHEMBL410273,7.96
+CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL206644,7.82
+CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL377941,8.07
+COc1ccc2c(c1)OC(CNCCc1c[nH]c3ccc(F)cc13)CN2,CHEMBL425936,6.99
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,8.96
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL379602,8.17
+C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1,CHEMBL378455,7.43
+CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1,CHEMBL210874,7.89
+CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)C(C)C)CC3)CC2)c1,CHEMBL384677,6.95
+CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)CC4CCCCC4)CC3)CC2)c1,CHEMBL211012,8.0
+CC(=O)Nc1cccc(N2CCN(CCCCN(C)S(=O)(=O)CC(C)C)CC2)c1,CHEMBL207478,8.01
+CC(=O)Nc1cccc(N2CCN(CCCCN(C)S(=O)(=O)CC3CCCCC3)CC2)c1,CHEMBL207220,8.89
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c1,CHEMBL379984,8.04
+O=C(Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1)C1CC1,CHEMBL377697,8.05
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,CHEMBL209821,8.29
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c1,CHEMBL209985,7.62
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c1,CHEMBL266832,7.4
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1,CHEMBL210795,7.74
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NC(=O)C(C)(C)C)c3)CC2)cc1,CHEMBL210498,5.87
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cc1,CHEMBL209459,7.66
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NC(=O)C(C)C)c3)CC2)cc1,CHEMBL379364,7.11
+CCCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1,CHEMBL445928,7.25
+CCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1,CHEMBL209072,6.37
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1,CHEMBL210537,8.17
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NS(=O)(=O)C(C)C)c3)CC2)cc1,CHEMBL207553,7.33
+CCS(=O)(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1,CHEMBL426318,6.85
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NS(C)(=O)=O)c3)CC2)cc1,CHEMBL205550,7.34
+Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL209176,7.4
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL209324,9.0
+O=C1CCC(=O)N1C[C@H]1CC[C@H]2CN(c3ncccn3)CCN2C1,CHEMBL2111058,7.04
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL8412,8.22
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,6.102
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,7.56
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,CHEMBL208847,6.72
+O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL426863,6.54
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL209876,7.66
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL210461,6.18
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL210567,7.42
+Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7927,5.85
+Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL211135,6.41
+COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1,CHEMBL378515,7.62
+Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1,CHEMBL209034,6.44
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL212370,5.77
+COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1,CHEMBL212631,5.66
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1Cl,CHEMBL378680,5.64
+Fc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL380054,5.44
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)CC2CC3CCC2C3)CC1,CHEMBL207799,7.96
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2CCCCC2)CC1,CHEMBL207438,7.62
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL212309,7.6
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1,CHEMBL211332,7.77
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL377153,8.4
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1,CHEMBL424692,7.92
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL208735,7.57
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2CC3CCC2C3)CC1,CHEMBL410681,7.92
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1,CHEMBL207087,7.77
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL210296,8.05
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL211231,7.77
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL208905,7.82
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209007,7.74
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1,CHEMBL429150,7.3
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL378298,7.54
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1,CHEMBL207493,7.4
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1,CHEMBL210157,7.16
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL210107,7.2
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1,CHEMBL380262,6.59
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL212039,6.64
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1,CHEMBL207750,6.77
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1,CHEMBL208785,6.32
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209060,7.4
+NC(=O)c1ccc(F)c2c1CC(N(CCCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL213673,8.32
+NC(=O)c1ccc(F)c2c1CC(N(CCCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL385353,8.68
+NC(=O)c1ccc(F)c2c1CC(N(CCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL379298,8.14
+CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL209784,8.36
+CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL213639,7.75
+CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL208605,6.48
+CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL210348,7.48
+NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL208774,6.6
+NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL208773,8.92
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL380095,8.03
+NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL210978,10.0
+NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL209802,8.68
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL427051,8.64
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL214009,8.49
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL427411,8.82
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL213652,8.46
+CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL211215,7.73
+CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL211393,7.46
+CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL386242,6.58
+NC(=O)c1ccc(F)c2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL380401,7.34
+COc1cccc2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL211363,8.67
+COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL386288,7.81
+COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL211480,8.77
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1,CHEMBL378073,7.8
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1,CHEMBL209262,8.64
+COc1cccc2c1CC(N(C)CCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL210656,7.4
+c1ccc(CCc2ccccc2OCc2ccccn2)cc1,CHEMBL216198,5.3
+COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1,CHEMBL217886,5.3
+C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@@H]2OC(=O)C(=C)[C@H]2CCCC)C[C@@H](O)[C@H](C)[C@@H]1O,CHEMBL384538,5.3
+COc1cccc(CCc2ccccc2OCc2ccccc2)c1,CHEMBL214739,5.3
+c1ccc(CCc2ccccc2OCc2ccccc2)cc1,CHEMBL215010,5.3
+COc1cccc(CCc2ccccc2OCc2cccnc2)c1,CHEMBL217281,5.3
+c1ccc(CCc2ccccc2OCc2cccnc2)cc1,CHEMBL217425,5.3
+COc1cccc(CCc2ccccc2OCc2ccccn2)c1,CHEMBL387052,5.3
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,CHEMBL221652,7.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,CHEMBL221640,7.68
+COc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL395586,7.15
+CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1,CHEMBL234875,6.32
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391271,6.94
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706924,7.89
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706923,7.89
+N#Cc1ccc2c(N3CCN(CC[C@@H]4OCCc5cc(C(N)=O)ccc54)CC3)cccc2c1,CHEMBL391273,7.8
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL233210,7.59
+C[C@H]1CN(c2ccc3cc(F)ccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391272,6.51
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL234448,6.98
+O=C(CCCCCN1CCN(c2cccc[n+]2[O-])CC1)NC1CCCc2ccccc21,CHEMBL244792,6.71
+O=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21,CHEMBL390213,7.44
+O=C(CCCCCN1CCN(c2ccccc2F)CC1)NC1CCCc2ccccc21,CHEMBL244577,7.53
+CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389110,5.6
+Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244162,6.38
+CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244161,6.88
+CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243955,6.95
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL243954,7.22
+CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243953,5.92
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243744,6.78
+CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243743,7.22
+CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243742,6.77
+CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243523,7.1
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL300780,5.69
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL242644,7.44
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL396024,5.74
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,7.46
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL244989,7.14
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL394541,7.66
+O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244775,6.18
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL244774,7.22
+Cc1cccnc1-c1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL244773,7.04
+Cc1cccc(-c2ccc(C(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,CHEMBL398175,6.51
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,CHEMBL244562,7.53
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL241973,8.17
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,7.47
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL180010,7.07
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,6.03
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,7.63
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,6.01
+O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL231156,7.23
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL390253,7.82
+CC(=O)OC(CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL242434,6.93
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,8.6
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,8.141
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,8.3
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,9.1
+COC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL410364,7.49
+COC(CNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL238007,7.39
+c1cc(OCCCNC2CCCC2)c2cc[nH]c2c1,CHEMBL392392,6.83
+c1cc(OCCCNC2CCCCC2)c2cc[nH]c2c1,CHEMBL237790,7.11
+CCC(CC)NCC(O)COc1cccc2[nH]ccc12,CHEMBL237789,7.42
+OC(CNC1CCCCCC1)COc1cccc2[nH]ccc12,CHEMBL237749,8.06
+OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL237572,8.07
+OC(CNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL396185,8.23
+C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL236315,6.06
+C[C@](O)(CNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL236312,5.84
+O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL393522,7.63
+O[C@H](CNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL397053,7.435
+O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12,CHEMBL236515,7.785
+O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL236514,8.37
+OC(CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1,CHEMBL237759,6.08
+OC(CCNC1CCCCC1)COc1cccc2[nH]ccc12,CHEMBL236518,6.9
+OC(CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2,CHEMBL236517,6.26
+OC(CCOc1cccc2[nH]ccc12)CNC1CCCCC1,CHEMBL396430,6.06
+CC(C)NCC(O)CCOc1cccc2[nH]ccc12,CHEMBL412022,5.75
+OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,CHEMBL391230,7.12
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)c(F)ccc2n1,CHEMBL391033,7.3
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(C#N)cc2n1,CHEMBL239167,7.7
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL239166,8.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL442087,9.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL241500,7.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL241499,7.7
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL241503,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,8.0
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,9.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,8.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,8.8
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL241463,8.3
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL239168,9.3
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(Cc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248231,8.4
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CC(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248230,8.7
+CCCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248229,8.9
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c21,CHEMBL443060,8.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4F)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247609,8.5
+Cc1ccc2c(OCCN3CCN(Cc4cc(F)c5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247428,8.1
+CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2,CHEMBL252258,6.55
+CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253096,6.77
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1,CHEMBL252430,8.11
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1,CHEMBL252429,8.11
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1,CHEMBL252230,8.7
+CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252228,8.7
+CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252031,8.7
+CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252030,8.96
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,CHEMBL398711,9.0
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1,CHEMBL251834,8.19
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1,CHEMBL398744,8.1
+O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252201,7.43
+O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253878,7.68
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1,CHEMBL398619,8.35
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1,CHEMBL442290,7.18
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1,CHEMBL253439,7.25
+Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1,CHEMBL398618,7.55
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1,CHEMBL253233,7.38
+CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400236,7.92
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1,CHEMBL253024,7.92
+CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400235,8.26
+CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253022,8.3
+CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252818,8.12
+NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL404000,8.7
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F,CHEMBL252816,8.31
+CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL398525,9.0
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,5.77
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,5.97
+CCC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270176,5.97
+CC1N=C(N)Nc2c(Cl)ccc(Cl)c21,CHEMBL272781,7.04
+COc1c(Cl)ccc2c1C(C)N=C(N)N2,CHEMBL258073,6.47
+COc1cc(Cl)c(C)c2c1NC(N)=NC2C,CHEMBL401745,6.98
+CNC1=NC(C)c2cccc(OC(C)C)c2N1,CHEMBL402179,6.17
+CC(C)Oc1cccc2c1NC(N)=NC2C,CHEMBL258075,6.58
+COc1cccc2c1NC(N)=NC2C,CHEMBL408152,7.49
+CNC1=NC(C)c2c(ccc(Cl)c2Cl)N1,CHEMBL271298,6.61
+CC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL273170,6.74
+CCC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL439240,6.12
+CNC1=NC(C)c2c(Cl)cccc2N1,CHEMBL269964,6.41
+CC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270177,6.72
+CC1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL404511,7.07
+CC1N=C(NCC(F)F)Nc2c(Cl)ccc(Cl)c21,CHEMBL271253,7.06
+COc1c(Cl)ccc2c1C(C)N=C(NCC(F)F)N2,CHEMBL257744,6.46
+CC(C)Oc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL446459,6.62
+COc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL404248,7.28
+C[C@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256047,6.21
+C[C@@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256694,7.12
+CC1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL429136,6.91
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,7.02
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,7.25
+COc1ccccc1N1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1,CHEMBL259889,7.85
+COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1,CHEMBL410515,9.42
+COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1,CHEMBL261600,9.27
+COc1ccc2ccc(NCCCCCN3CCN(c4ccccc4OC)CC3)nc2c1,CHEMBL261383,9.3
+COc1ccc2ccc(NCCCCN3CCN(c4ccccc4OC)CC3)nc2c1,CHEMBL270736,8.34
+COc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1,CHEMBL259686,9.7
+COc1ccc2ccc(NCCN3CCN(c4ccccc4OC)CC3)nc2c1,CHEMBL270750,8.68
+COc1ccc2nc(NCCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL261824,8.59
+COc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL411949,9.7
+COc1ccc2nc(NCCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL258600,7.66
+COc1ccc2nc(NCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL258602,7.55
+COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1,CHEMBL271987,10.52
+COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1,CHEMBL271989,7.01
+COc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1,CHEMBL405228,7.89
+COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1,CHEMBL259887,7.48
+c1cc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ncccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL481126,8.11
+c1cc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ncccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL481125,7.8
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1,CHEMBL479986,7.37
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1,CHEMBL518946,8.04
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1,CHEMBL481113,6.81
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481914,8.54
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481754,7.36
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481753,8.19
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481747,7.16
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL520753,8.21
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL480932,7.24
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL481109,8.08
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL481108,7.01
+FC(F)(F)c1nc2c(N3CCN([C@H]4CC[C@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL520265,8.44
+FC(F)(F)c1nc2c(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL481524,7.79
+Cc1nc2c(N3CCN([C@H]4CC[C@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL519616,8.52
+Cc1nc2c(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL481523,7.97
+c1cc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)c2nc[nH]c2c1,CHEMBL481337,8.77
+c1cc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)c2nc[nH]c2c1,CHEMBL517996,8.1
+Cc1[nH]c2ccccc2c1[C@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1,CHEMBL479782,7.89
+Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1,CHEMBL479781,7.06
+Clc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL482128,7.23
+Clc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL519445,6.49
+COc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL481141,8.54
+COc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL481140,7.22
+CC(C)n1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL480935,6.16
+CCCn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL481940,6.09
+CCn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL481112,6.08
+CCn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL493684,6.25
+Cn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL494688,7.27
+Cn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL494484,6.63
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL494483,8.46
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL494276,7.16
+Fc1cccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c12,CHEMBL494078,7.65
+Fc1cccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c12,CHEMBL494077,6.93
+Fc1ccc2c(c1)[nH]cc2[C@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1,CHEMBL523224,8.27
+Cn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21,CHEMBL493455,7.05
+Cn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21,CHEMBL522529,6.91
+c1cc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL494468,8.28
+c1cc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL493037,7.49
+Fc1ccc2c(c1)[nH]cc2[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1,CHEMBL522671,7.47
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,7.42
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,5.63
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.93
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,7.52
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,6.38
+O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL478617,7.42
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476935,7.04
+CC1(C)Cc2cccc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)c2O1,CHEMBL491839,9.3
+Cc1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL444398,8.5
+Cc1ncc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489195,9.4
+O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1,CHEMBL523095,8.8
+O=C1COc2ccc(CCN3CCN(c4nccc5ccccc45)CC3)cc2N1,CHEMBL490211,7.0
+O=C1COc2ccc(CCN3CCN(c4cccc5nc(-c6ccccc6)ccc45)CC3)cc2N1,CHEMBL484059,9.2
+Cc1cc(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(C)nc2c1,CHEMBL484260,9.9
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL521506,9.5
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL485491,8.6
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL497980,8.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL497979,9.6
+Cc1ccc2c(N3C[C@H]4C[C@@H]3CN4CCc3ccc4c(c3)NC(=O)CO4)cccc2n1,CHEMBL523064,6.9
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3C)cccc2n1,CHEMBL495705,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@H](C)C3)cccc2n1,CHEMBL521873,8.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@@H](C)C3)cccc2n1,CHEMBL495703,8.5
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL496520,9.6
+Cc1ccc2c(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL496317,9.6
+Cc1ccc2c(N3CCN(CCc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489394,8.9
+CCN1C(=O)COc2ccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cc21,CHEMBL489393,9.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL513715,9.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469345,9.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5)CC3)cccc2n1,CHEMBL512724,9.6
+CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21,CHEMBL472290,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C(C)C)CC3)cccc2n1,CHEMBL469567,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C4CC4)CC3)cccc2n1,CHEMBL469568,10.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC4CC4)CC3)cccc2n1,CHEMBL469995,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC(F)F)CC3)cccc2n1,CHEMBL511279,9.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL511815,9.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1,CHEMBL471047,9.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469374,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL513875,9.7
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469375,8.8
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL469376,8.7
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469589,8.2
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL470217,8.8
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL470849,8.5
+NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12,CHEMBL484345,5.19
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL482562,5.07
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1,CHEMBL520129,5.25
+C[n+]1c2n(c(=O)c3ccccc31)CCc1c-2[nH]c2ccccc12,CHEMBL81923,4.44
+CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,CHEMBL508030,4.49
+CNCC(O)c1ccc(O)cc1,CHEMBL33720,4.2
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,6.39
+CN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4,CHEMBL481839,5.22
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,7.38
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1,CHEMBL484210,7.71
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1,CHEMBL485406,7.96
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1,CHEMBL513966,7.9
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1,CHEMBL457750,9.09
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1,CHEMBL457751,8.58
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1,CHEMBL516158,9.03
+NC(=O)c1ccc(Cl)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484572,8.085
+CNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485433,8.27
+CNC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485434,8.88
+COC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL519684,7.13
+CCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL483594,7.75
+CCCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484947,6.71
+CC(C)NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484948,7.34
+O=C(NC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485385,7.72
+O=C(NC1CCC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL519679,6.67
+O=C(NCC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484541,6.79
+CN(C)C(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL521341,6.43
+COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1,CHEMBL484581,8.92
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(Cl)cc13)C1CCC1)CO2,CHEMBL483573,8.4
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3cc(F)ccc13)C1CCC1)CO2,CHEMBL520661,8.3
+COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12,CHEMBL521510,8.49
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2,CHEMBL485624,7.58
+CCCN(CCCCn1ccc2c(F)cccc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL485033,7.85
+CCCN(CCCCn1ccc2cc(F)ccc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL485034,8.18
+CCCN(CCCCn1ccc2ccc(F)cc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL520994,7.97
+CCCN(CCCCn1ccc2cccc(F)c21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL484355,7.78
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2,CHEMBL485381,8.02
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2,CHEMBL484536,8.26
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3ccc(F)cc31)CC1CC1)CO2,CHEMBL519514,8.49
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cccc(F)c31)CC1CC1)CO2,CHEMBL484537,7.72
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)C1CCC1)CO2,CHEMBL519533,7.76
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)C1CCC1)CO2,CHEMBL485397,7.97
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3ccc(F)cc31)C1CCC1)CO2,CHEMBL485398,7.89
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cccc(F)c31)C1CCC1)CO2,CHEMBL519325,7.4
+NC(=O)c1ccc(F)c2c1C[C@@H](NCC1CCc3[nH]c4ccc(F)cc4c3C1)CO2,CHEMBL485407,7.46
+Cc1ccc2c(OC(C)CN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484386,6.4
+Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485630,6.3
+Cc1ccc2c(OCCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519010,7.1
+Cc1ccc2c(OCC(C)N3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484216,7.15
+Cc1ccc2c(N3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484205,6.2
+Cc1ccc2c(OCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL484387,7.3
+Cc1ccc2c(N3CCN(CCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485395,8.6
+Cc1ccc2c(N3CCN(CCCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL483365,9.2
+Cc1ccc2c(OC3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485427,6.5
+Cc1ccc2c(OCCCN3CC(Oc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL519019,6.8
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL445102,5.2
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,5.75
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,5.76
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL522194,7.54
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL494661,7.24
+CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL494458,6.97
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL521687,7.99
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494512,7.37
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494312,7.28
+N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL522691,6.606
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL493909,7.03
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL493709,7.72
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL522343,6.49
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1,CHEMBL494709,7.15
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL495321,8.09
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL495120,7.89
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492872,6.86
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1,CHEMBL492871,6.79
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492691,7.92
+COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492690,7.4
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492282,8.43
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCc2ccccc2C1,CHEMBL492480,7.02
+CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL493305,8.69
+COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494316,8.49
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494119,7.66
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C1,CHEMBL494118,6.91
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL523381,8.97
+c1ccc(OCCNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1,CHEMBL521694,6.83
+COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493486,9.2
+c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL493285,9.03
+COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493284,6.64
+COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493283,8.12
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL495289,7.43
+COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL493042,6.38
+COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL452437,8.38
+COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL493041,8.22
+c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1,CHEMBL492835,7.27
+c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1,CHEMBL492785,7.28
+COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1,CHEMBL492834,6.59
+COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL493661,6.63
+COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1,CHEMBL521665,8.46
+COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL494908,7.41
+c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1,CHEMBL449057,7.59
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1,CHEMBL496098,7.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)N[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL461670,8.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL517170,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN[C@@H](C)C5)c4)CC3)cccc2n1,CHEMBL518545,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@@H](C)NC[C@@H]5C)c4)CC3)cccc2n1,CHEMBL457982,8.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL458199,9.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)C(=O)C5)c4)CC3)cccc2n1,CHEMBL458200,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCN(C)CC5=O)c4)CC3)cccc2n1,CHEMBL456458,7.7
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCCC5)c4)CC3)cccc2n1,CHEMBL459061,8.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1,CHEMBL457765,8.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5C[C@H](C)O[C@H](C)C5)c4)CC3)cccc2n1,CHEMBL513955,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCN(C)CC5)c4)CC3)cccc2n1,CHEMBL514429,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5)c4)CC3)cccc2n1,CHEMBL456684,8.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(C)CC5)c4)CC3)cccc2n1,CHEMBL459282,8.5
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCNCC5)c4)CC3)cccc2n1,CHEMBL459067,8.2
+CC(=O)N1CCC(c2cccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)c2)CC1,CHEMBL459068,7.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(S(C)(=O)=O)CC5)c4)CC3)cccc2n1,CHEMBL462915,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccncc5)c4)CC3)cccc2n1,CHEMBL462916,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1,CHEMBL516997,8.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1,CHEMBL456459,7.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccoc5)c4)CC3)cccc2n1,CHEMBL456460,7.5
+c1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1,CHEMBL473282,7.12
+c1ccc2c(CCN3CCCC(c4ccnc(NCC5CC5)n4)C3)c[nH]c2c1,CHEMBL515438,7.67
+CC(Nc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1)C1CC1,CHEMBL475105,8.13
+CC1(Nc2nccc(C3CCCN(CCc4c[nH]c5ccccc45)C3)n2)CC1,CHEMBL475515,7.49
+CC(C)(C)Nc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1,CHEMBL475516,8.28
+CCCNc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1,CHEMBL473902,7.87
+Fc1ccc2[nH]cc(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c2c1,CHEMBL473903,7.63
+Clc1ccc2[nH]cc(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c2c1,CHEMBL514823,7.98
+Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(c2ccnc(NC3CC3)n2)C1,CHEMBL475693,7.58
+Fc1cccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c12,CHEMBL475694,7.45
+Fc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1,CHEMBL514010,7.19
+c1ccc2c(c1)OC[C@H](CCN1CCCC(c3ccnc(NC4CC4)n3)C1)O2,CHEMBL474282,7.42
+c1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)csc2c1,CHEMBL473476,7.41
+c1ccc2c(c1)CC(CCN1CCCC(c3ccnc(NC4CC4)n3)C1)C2,CHEMBL475090,7.37
+CC(Cc1c[nH]c2ccccc12)N1CCCC(c2ccnc(NC3CC3)n2)C1,CHEMBL515283,7.4
+O=C(CN1CCCC(c2ccnc(NC3CC3)n2)C1)c1c[nH]c2ccccc12,CHEMBL475091,5.47
+c1cc(C2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1,CHEMBL475092,6.11
+c1cc(C2CCCN(CCc3cn[nH]c3)C2)nc(NC2CC2)n1,CHEMBL475303,5.35
+OCCCNc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1,CHEMBL475502,6.76
+COCCCNc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1,CHEMBL474090,7.11
+COCCNc1nccc(C2CCCN(CCc3c[nH]c4ccccc34)C2)n1,CHEMBL515573,7.18
+FC(F)(F)c1nc2c(N3CCN(CCOc4cccc5nc(C(F)(F)F)[nH]c45)CC3)cccc2[nH]1,CHEMBL472117,7.72
+FC(F)(F)c1nc2c(N3CCN(CCOc4cccc5[nH]c(=S)[nH]c45)CC3)cccc2[nH]1,CHEMBL512893,8.55
+CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL495160,6.8
+COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494992,7.9
+CC(=O)N(C)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL506942,6.6
+CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1,CHEMBL495161,5.9
+COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O,CHEMBL495217,6.9
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,8.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(=O)(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL495213,8.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL495046,7.9
+CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525362,7.5
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1,CHEMBL495895,8.2
+CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL497127,8.3
+CC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498356,7.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL498355,8.2
+CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498354,7.6
+CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525712,7.6
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,6.95
+O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1,CHEMBL240774,6.44
+O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL395933,6.91
+O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL489028,7.495
+O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL506875,7.8
+O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3[nH]cnc23)CC1,CHEMBL523121,7.74
+O=C1Cc2ccccc2N1C/C=C\CN1CCN(c2cccc3ccccc23)CC1,CHEMBL490644,7.94
+O=C1Cc2ccccc2N1C/C=C/CN1CCN(c2cccc3ccccc23)CC1,CHEMBL490645,7.41
+O=C1Cc2ccccc2N1CC#CCN1CCN(c2cccc3ccccc23)CC1,CHEMBL489249,7.59
+O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(c3cccc4ccccc34)CC2)cc1,CHEMBL489447,6.74
+O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1,CHEMBL445334,6.66
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,5.77
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,5.73
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL490634,5.76
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,6.0
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1,CHEMBL62919,5.8
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627323,6.71
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL366904,7.23
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL175734,6.41
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627305,6.99
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627308,6.88
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627321,7.23
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(F)ccc4n2)CC1)O3,CHEMBL551909,8.82
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL564148,8.7
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4ccccc4n2)CC1)O3,CHEMBL551304,8.17
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)C[C@H]1C)O3,CHEMBL560170,8.55
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)C[C@H]1C)O3,CHEMBL551107,8.26
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)C[C@@H]1C)O3,CHEMBL565234,6.78
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)CC1)O3,CHEMBL550576,7.33
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(OC(F)(F)F)ccc4n2)CC1)O3,CHEMBL551105,6.76
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C(N)=O)ccc4n2)CC1)O3,CHEMBL559778,8.14
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL551964,8.43
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Br)ccc4n2)CC1)O3,CHEMBL550700,7.76
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Cl)ccc4n2)CC1)O3,CHEMBL559579,6.67
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(F)ccc4n2)CC1)O3,CHEMBL550169,7.48
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc([N+](=O)[O-])ccc4n2)CC1)O3,CHEMBL556474,7.7
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC=C(c2c[nH]c4ccccc24)CC1)O3,CHEMBL562248,8.52
+Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(c4ncccn4)CC3)nn2)CCc2cc(O)c(O)cc21,CHEMBL575203,6.1
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574595,7.07
+Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(c4ccccc4O)CC3)nn2)CCc2cc(O)c(O)cc21,CHEMBL574623,7.01
+Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5ncccn5)CC4)nn3)CCc3cc(O)c(O)cc32)c1,CHEMBL574627,6.19
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL585740,6.88
+Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5nsc6ccccc56)CC4)nn3)CCc3cc(O)c(O)cc32)c1,CHEMBL585741,6.63
+COc1ccccc1N1CCN(CCCn2cc(CN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL585742,6.34
+COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL582945,6.88
+COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574700,6.98
+CCN(CC)CCCc1cn(CCCN2CCN(c3ccccc3OC)CC2)nn1,CHEMBL572490,6.42
+O=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL576586,6.63
+O=c1ccc(=O)n(-c2ccccc2)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL573256,7.3
+COc1ccccc1N1CCN(CCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1,CHEMBL574822,7.27
+COc1ccccc1N1CCN(CCCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1,CHEMBL574604,7.96
+COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1,CHEMBL583583,7.0
+COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1,CHEMBL239700,7.44
+O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL573237,6.38
+O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL574828,6.4
+COc1ccccc1N1CCN(CCCn2c(=O)c3ccccc3c(=O)n2-c2ccccc2)CC1,CHEMBL573482,7.52
+COc1ccccc1N1CCN(CCCCn2c(=O)c3ccccc3c(=O)n2-c2ccccc2)CC1,CHEMBL573264,7.37
+O=c1ccc(=O)n(-c2ccccc2)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL575032,6.69
+O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F,CHEMBL575699,8.4
+Clc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL575290,8.3
+Fc1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573972,8.1
+O=C1C(Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1,CHEMBL574126,8.05
+Fc1cccc(Oc2ccccc2N2CCNCC2)c1,CHEMBL573973,8.05
+Fc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL583752,7.96
+Fc1cccc(C2CCNCC2)c1Oc1ccccc1,CHEMBL583751,7.7
+Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1,CHEMBL574004,7.68
+c1ccc(COc2ccccc2N2CCNCC2)cc1,CHEMBL582928,7.55
+Fc1ccccc1COc1ccccc1N1CCNCC1,CHEMBL575899,7.51
+Fc1ccccc1COc1ccccc1C1CCNCC1,CHEMBL573897,7.33
+Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1,CHEMBL583332,7.24
+c1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL575077,7.2
+Fc1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573531,7.11
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1F,CHEMBL575714,7.0
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1,CHEMBL575700,6.94
+Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL584173,6.93
+c1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573769,6.92
+Fc1cccc(Oc2ccccc2)c1C1CCNCC1,CHEMBL574428,6.89
+c1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573532,6.89
+Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1,CHEMBL574231,6.81
+c1ccc(OCc2ccccc2N2CCNCC2)cc1,CHEMBL574127,6.72
+Fc1cccc(OCc2ccccc2)c1C1CCNCC1,CHEMBL575930,6.44
+c1ccc(N2CCNCC2)c(COc2ccccc2C2CC2)c1,CHEMBL575289,6.33
+Fc1cccc(C2CCNCC2)c1OCc1ccccc1,CHEMBL583750,6.22
+Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1,CHEMBL573971,5.94
+Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1,CHEMBL574008,5.66
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,7.76
+COc1ccccc1N1CCN(CCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1,CHEMBL583707,7.36
+COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1,CHEMBL572935,6.94
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1,CHEMBL575762,8.17
+COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1,CHEMBL578844,9.17
+COc1ccccc1N1CCN(CCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1,CHEMBL574239,7.82
+COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1,CHEMBL574667,9.33
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1,CHEMBL591189,9.3
+COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1,CHEMBL574894,8.11
+COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL574903,7.14
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL575763,7.54
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL575768,6.82
+COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL575991,7.27
+O=C1NCCc2cc(F)c3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL595744,8.22
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3c(c2C1)C(=O)NCC3,CHEMBL595055,8.4
+O=C1NCCc2cc(F)c3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL592939,7.3
+O=C1NCCc2ccc3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL606149,7.36
+CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL604063,7.64
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL594788,8.22
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL592953,7.89
+CC(C)N(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL592951,6.89
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL593865,7.72
+CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL594807,6.03
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1)CO3,CHEMBL594357,7.02
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CCC(F)(F)F)CO3,CHEMBL605919,6.02
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3,CHEMBL610163,5.91
+O=C1NCc2ccc3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL594829,7.62
+CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NC3,CHEMBL592028,7.66
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NC3,CHEMBL592029,8.7
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL607419,8.28
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1)CO3,CHEMBL591561,7.0
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3,CHEMBL593281,7.07
+N#Cc1ccc2[nH]cc(CCCNC3COc4ccc5c(c4C3)C(=O)NC5)c2c1,CHEMBL606864,7.44
+O=C1NCc2ccc3c(c21)CC(NCCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL595622,7.66
+O=C1NCc2ccc3c(c21)CC(N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL589141,7.72
+Fc1ccccc1Oc1cccc(F)c1C1CCNCC1,CHEMBL598346,8.34
+c1ccc(Oc2ncccc2C2CCNCC2)cc1,CHEMBL608148,7.0
+Fc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597530,7.89
+Clc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL609904,7.8
+COc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597531,7.04
+Cc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596714,7.22
+FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596715,7.15
+Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl,CHEMBL600854,7.43
+Fc1cccc(Oc2ncccc2C2CCNCC2)c1F,CHEMBL611677,6.76
+Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL599371,8.26
+Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1,CHEMBL598562,7.43
+Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL598767,7.54
+Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1,CHEMBL598560,7.77
+COc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL598561,7.62
+Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1,CHEMBL597134,7.96
+Fc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL597135,8.14
+Cc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL599592,8.0
+Clc1ccccc1Oc1ncccc1N1CCNCC1,CHEMBL599593,8.35
+Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1,CHEMBL599798,8.43
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1,CHEMBL604137,6.61
+Fc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1,CHEMBL599985,7.25
+C1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1,CHEMBL602244,7.44
+Fc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1,CHEMBL599310,6.72
+N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1,CHEMBL596816,7.38
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1,CHEMBL598866,6.52
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1,CHEMBL605331,7.25
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc2c1,CHEMBL599691,7.18
+COc1ccc2c(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc2c1,CHEMBL590245,8.48
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccc(C#N)cc45)CC3)coc2c1,CHEMBL599076,7.9
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12,CHEMBL599077,8.07
+COc1cccc2c(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12,CHEMBL604513,7.96
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12,CHEMBL598469,8.0
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(C#N)cc45)CC3)coc12,CHEMBL596665,8.29
+COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccccc45)CC3)coc12,CHEMBL606384,7.53
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,5.33
+C[C@@H]1Cc2ccc3c(c2O1)-c1cccc2c1[C@@H](C3)N(C)CC2,CHEMBL597094,8.51
+C[C@H]1Cc2ccc3c(c2O1)-c1cccc2c1[C@@H](C3)N(C)CC2,CHEMBL609611,7.34
+CC1Cc2ccc3c(c2O1)-c1cccc2c1[C@@H](C3)N(C)CC2,CHEMBL609317,8.17
+C=CCc1ccc2c(c1O)-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL603752,6.84
+C=CCOc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL596886,7.18
+Cc1cc2ccc3c(c2o1)-c1cccc2c1[C@@H](C3)N(C)CC2,CHEMBL607559,7.54
+C#CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL596885,7.85
+C=CCc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL596884,6.87
+C=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL608728,7.92
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(C)c(C)oc2c1-3,CHEMBL597882,6.29
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc2cc(C)oc2c1-3,CHEMBL597881,6.49
+CC#CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL596678,6.9
+C#CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL591448,7.26
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OC(C)(C)C2,CHEMBL611973,6.2
+C=CCc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL596865,6.1
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCC=C(C)C)c1-3,CHEMBL599080,6.83
+C=C(C)COc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL598760,6.43
+C=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL598759,6.55
+COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2,CHEMBL270426,6.59
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL27559,7.35
+C/C=C/COc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL591916,7.96
+CC1Cc2ccc3c(c2O1)-c1cc(O)cc2c1[C@@H](C3)N(C)CC2,CHEMBL598037,7.92
+C=CC(C)c1ccc(O)c2c1C[C@@H]1c3c(cccc3-2)CCN1CCC,CHEMBL604588,6.2
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OC(C)C2C,CHEMBL599065,7.05
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OC(C)C2,CHEMBL599064,6.47
+c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1083181,8.45
+COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1082862,9.22
+Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1084658,8.08
+COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1088072,8.1
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1077168,8.58
+COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1087942,7.27
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC,CHEMBL1079066,8.12
+COc1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1OC,CHEMBL1079065,7.01
+CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078953,9.05
+CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078773,8.77
+c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1078772,8.66
+c1ccc(-c2cccc(OCCNCC3COC(c4ccccc4)(c4ccccc4)O3)c2)cc1,CHEMBL1078751,7.54
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL1083182,8.99
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1,CHEMBL1086156,9.89
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1,CHEMBL1079079,7.03
+OC(CNCC1COc2ccccc2O1)COc1ccccc1F,CHEMBL1091933,8.1
+OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl,CHEMBL1094908,7.44
+CN1CCc2[nH]c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3c2C1,CHEMBL1099284,8.15
+COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1,CHEMBL135293,7.32
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1,CHEMBL134455,6.35
+COc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1,CHEMBL135730,7.05
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccccc2)CC1,CHEMBL134595,7.7
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1,CHEMBL135669,7.76
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL424470,6.1
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL334974,6.1
+Clc1ccc(N2CCN(CCC(Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1,CHEMBL135586,6.26
+Cc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1,CHEMBL1095245,5.84
+COc1ccc(N2CCN(CCC(=O)c3ccccc3)CC2)cc1,CHEMBL135828,5.3
+COc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1,CHEMBL133312,5.3
+O=C(CCN1CCN(c2ncccn2)CC1)c1ccccc1,CHEMBL133210,6.92
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1,CHEMBL135922,5.8
+O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,CHEMBL133138,6.74
+OC(CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,CHEMBL135554,6.94
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1,CHEMBL135553,5.3
+OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL137725,6.84
+O=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL135023,7.3
+O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1,CHEMBL423174,5.3
+O=[N+]([O-])c1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1,CHEMBL137178,5.3
+O=[N+]([O-])c1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1,CHEMBL434268,5.3
+COc1ccccc1N1CCN(CCC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL133309,5.44
+COc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL135824,6.07
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL136022,5.3
+COc1ccc(C(=O)CCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL336280,5.76
+COc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL135272,6.49
+COc1ccc(C(CCN2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1,CHEMBL422621,6.0
+COc1ccccc1N1CCN(CCC(=O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL336504,7.3
+COc1ccccc1N1CCN(CCC(O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL135961,8.0
+COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1,CHEMBL337869,7.3
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccsc2)CC1,CHEMBL135887,7.26
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1,CHEMBL135785,6.59
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1,CHEMBL134743,6.74
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccsc2)CC1,CHEMBL132764,8.19
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL336341,6.15
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1,CHEMBL135295,7.46
+COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1,CHEMBL334407,7.92
+Cc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL132541,8.12
+Cc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL133207,7.045
+COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL341381,7.89
+O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1,CHEMBL135754,6.7
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL135379,5.56
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2cccs2)CC1,CHEMBL337249,6.66
+COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1,CHEMBL336592,8.0
+COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1,CHEMBL135939,7.72
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL132710,5.3
+COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1,CHEMBL137591,7.76
+COc1ccccc1N1CCN(CCC(=O)c2ccc([N+](=O)[O-])s2)CC1,CHEMBL135585,6.47
+COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1,CHEMBL132532,6.6
+COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL137326,6.38
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL134967,5.3
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL134806,5.3
+O=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1,CHEMBL337671,6.0
+Oc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL337185,6.72
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,7.7
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12,CHEMBL337087,5.3
+O=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12,CHEMBL132979,6.96
+Oc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135890,7.74
+COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135770,6.3
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL136029,7.0
+OC(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL133814,7.18
+OC(CCN1CCN(c2cnc3ccccc3c2)CC1)c1csc2ccccc12,CHEMBL133822,6.0
+OC(CCN1CCN(c2cccc3ncccc23)CC1)c1csc2ccccc12,CHEMBL133335,7.43
+OC(CCN1CCN(c2ccc3ncccc3c2)CC1)c1csc2ccccc12,CHEMBL334637,6.26
+Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccccc45)CC3)c2n1,CHEMBL1099255,7.99
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccccc12,CHEMBL337659,8.72
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12,CHEMBL339501,8.57
+Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1,CHEMBL1095256,8.6
+OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL336842,8.22
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL423896,8.52
+COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1,CHEMBL134676,7.3
+COc1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1,CHEMBL444335,5.3
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1,CHEMBL135826,5.3
+O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL334444,6.1
+OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL134656,6.81
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1,CHEMBL133139,5.8
+OC(CCN1CCN(c2ncccn2)CC1)c1ccccc1,CHEMBL135712,6.43
+COc1ccccc1N1CCN(CCC(O)c2csc(C)c2)CC1,CHEMBL1098904,6.43
+COc1ccccc1N1CCN(CC/C(=N\O)c2csc3ccccc23)CC1,CHEMBL439978,6.1
+COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL423168,6.3
+OC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12,CHEMBL341434,5.8
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccccc12,CHEMBL424083,6.26
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12,CHEMBL137185,5.3
+CC1CN(CCC(O)c2csc3ccc(F)cc23)CCN1c1cccc2c1OCO2,CHEMBL1096903,8.03
+CCCCCCCC(O)CCc1ccc(O)c(OC)c1,CHEMBL1094101,5.02
+CCCCCCCCC/C(O)=C/C(=O)/C=C/c1ccc(O)c(OC)c1,CHEMBL1094100,5.44
+CCCCCCC/C(O)=C/C(=O)/C=C/c1ccc(O)c(OC)c1,CHEMBL1096044,5.18
+CCCCCC(=O)/C=C(O)/C=C/c1ccc(O)c(OC)c1,CHEMBL555195,5.19
+CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1,CHEMBL24226,5.23
+CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1,CHEMBL25893,4.88
+CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1,CHEMBL25948,4.74
+CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,CHEMBL549472,5.43
+CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,CHEMBL1095671,4.93
+COc1cc(N2CCN(C3CCN(c4cccc5cccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1094872,9.4
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5cc(F)cnc45)CC3)CC2)c2ncccc2c1,CHEMBL1098134,9.33
+COc1cc(N2CCN(C3CCN(c4cccc5cc(C)cnc45)CC3)CC2)c2ncccc2c1,CHEMBL1094556,9.34
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1096476,9.4
+COc1cc(N2CCN(C3CCN(c4cccc5ccc(C)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1096802,9.27
+COc1cc(N2CCN(C3CCN(c4cc(Br)cc5cccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1096529,9.21
+COc1cc(N2CCN(C3CCN(c4cccc5c(C)ccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1094558,9.21
+COc1cc(N2CCN(C3CCN(c4cccc5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1096155,9.2
+COc1cc(N2CCN(C3CCN(c4cccc5cc(F)cnc45)CC3)CC2)c2ncccc2c1,CHEMBL1098483,9.1
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5cc(C(F)(F)F)cnc45)CC3)CC2)c2ncccc2c1,CHEMBL1098133,9.06
+COc1cc(N2CCN(C3CCN(c4cccc5cc(C(F)(F)F)cnc45)CC3)CC2)c2ncccc2c1,CHEMBL1094557,8.92
+COc1cc(N2CCN(C3CCN(c4cccc5ccc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1096540,8.74
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5c(OC)cc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1096671,8.7
+COc1cc(N2CCN(C3CCN(c4cccc5c(OC)cc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1096156,8.68
+COc1cc(N2CCN(C3CCN(c4cc(F)cc5cccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1096477,8.47
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5ccc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1097484,8.44
+COc1cc(N2CCN(C3CCN(c4ccc(F)c5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1,CHEMBL1097181,6.75
+COc1cc(N2CCN(C3CCN(c4c(F)ccc5cccnc45)CC3)CC2)c2ncccc2c1,CHEMBL1096530,6.56
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O,CHEMBL1170237,6.28
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL1173331,5.49
+COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1,CHEMBL1209157,6.99
+c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214829,6.08
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214830,5.66
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214831,5.48
+FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214891,5.61
+CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214892,5.33
+FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214893,5.48
+COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214894,6.43
+CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214895,5.76
+FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214958,6.33
+CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214959,6.11
+FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214960,6.22
+COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214961,6.09
+CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214962,6.33
+FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215036,5.49
+CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215037,5.61
+FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215038,5.47
+COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221498,8.63
+COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221499,7.61
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221544,7.75
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221545,7.21
+COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221591,7.27
+COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221592,7.56
+COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221593,6.99
+COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221594,8.02
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,9.72
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1,CHEMBL1242904,9.9
+Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241547,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1,CHEMBL1241548,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C(F)(F)F)cn4-5)CC3)cccc2n1,CHEMBL1241641,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4cncn4-5)CC3)cccc2n1,CHEMBL1241642,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnc(C)n4-5)CC3)cccc2n1,CHEMBL1241738,10.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C)nnn4-5)CC3)cccc2n1,CHEMBL1241546,10.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1,CHEMBL1241639,9.3
+CCOC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241640,9.2
+CC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241736,9.5
+CO/N=C(\C)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241737,8.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241824,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C#N)ncn4-5)CC3)cccc2n1,CHEMBL1241825,9.0
+CNC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241912,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241998,9.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242081,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242167,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242257,9.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NCC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242345,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242436,9.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242533,9.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242623,9.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242717,9.4
+COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1242352,7.73
+COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242444,8.16
+COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242445,7.95
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242541,8.28
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242542,8.29
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242632,8.25
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242633,8.14
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242724,8.29
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242725,7.59
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242818,8.5
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242819,7.35
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1242912,8.58
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1241557,8.9
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,6.55
+COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254582,7.8
+COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254659,8.6
+COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254660,8.5
+CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254742,7.5
+COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254743,7.8
+COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254828,7.5
+COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254829,8.4
+CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254914,8.3
+COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254915,8.6
+Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255002,7.5
+Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255003,7.8
+Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255085,7.9
+c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1,CHEMBL1255086,8.1
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258761,10.85
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258648,10.35
+Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258426,9.99
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257856,9.97
+c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258312,9.83
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257145,9.75
+c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258425,9.69
+Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258532,9.61
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257857,9.55
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258760,9.08
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257261,8.89
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258880,8.81
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCOC5)CC3)cc21,CHEMBL1257968,8.7
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1257144,7.87
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257734,10.3
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258649,9.93
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1257969,9.89
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257613,9.57
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257146,9.51
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258650,9.47
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258086,9.29
+Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257494,9.21
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258534,9.2
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257858,9.17
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258428,9.17
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,CHEMBL1257382,9.13
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(Cl)c21,CHEMBL1258882,9.1
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257859,9.1
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257263,9.09
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257384,9.07
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257735,9.06
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258763,9.06
+Cc1c(OCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257736,8.97
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257970,8.84
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257492,8.84
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257383,8.84
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257385,8.77
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258762,8.75
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257614,8.72
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258087,8.7
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258199,8.68
+Cc1c(OCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257615,8.67
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257264,8.63
+Cc1c(OCCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257616,8.58
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258881,8.57
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258314,8.52
+Cc1c(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257495,8.49
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257971,8.44
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1258084,8.44
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257147,8.37
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258313,8.34
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258427,8.3
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COC5)CC3)cc21,CHEMBL1257493,8.16
+Cc1c(OCCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257737,7.76
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.52
+COc1cccc(CCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1271151,8.62
+COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL396349,8.77
+CCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL1269289,8.29
+CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(c6ccccc6OC)CC5)c4)c4ccccc4C3(C)C)c(=O)oc2c1,CHEMBL1269290,7.46
+COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc([S+]=C3C(=CC=C4N(CCCCS(=O)(=O)O)c5ccccc5C4(C)C)CCC/C3=C\C=C3\N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)cc2)CC1,CHEMBL1269291,7.18
+Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2,CHEMBL1278088,9.15
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12,CHEMBL1277105,6.24
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,5.75
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290486,9.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290487,9.2
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290596,9.1
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290597,9.2
+Cc1ccc2c(N3CCN(CCc4cccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1290715,9.2
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1289047,9.0
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289048,9.2
+Cc1ccc2c(N3CCN(CCc4c(F)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289163,9.4
+Cc1ccc2c(N3CCN(CCc4c(Cl)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289164,8.4
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cc(F)cc2n1,CHEMBL1289276,8.9
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@H](C)C3)cccc2n1,CHEMBL1289277,8.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL1289394,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1287827,8.5
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1289509,8.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289510,9.0
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289617,8.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)C(C)(C)C3)cccc2n1,CHEMBL1289618,8.8
+Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289721,8.9
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,9.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,9.4
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,9.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1,CHEMBL1632219,9.4
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,9.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,9.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1632212,9.2
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1,CHEMBL1632218,9.1
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,9.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1,CHEMBL1632211,9.0
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,9.0
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,9.0
+CCOC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631538,8.9
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1632213,8.9
+CCCS(=O)(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631548,8.8
+CC(=O)N(C)c1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631539,8.7
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,8.7
+COc1cccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)c1,CHEMBL1632215,8.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL1632208,8.7
+CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632207,8.7
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCOC5=O)c4)CC3)cccc2n1,CHEMBL1631543,8.6
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1631537,8.6
+COc1ccccc1C(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632214,8.6
+Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1,CHEMBL1631544,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCCNC5=O)c4)CC3)cccc2n1,CHEMBL1631541,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5F)c4)CC3)cccc2n1,CHEMBL1631533,8.5
+COc1ccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)cc1,CHEMBL1632216,8.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1631536,8.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,8.4
+CCCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632221,8.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632209,8.2
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)NC(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632222,8.1
+Cc1ccc2c(N3CCN(CCc4cccc(N)c4)CC3)cccc2n1,CHEMBL1631534,7.8
+c1ccc(Oc2ccccc2OC2CNC2)cc1,CHEMBL1645596,7.24
+Fc1ccccc1Oc1ccccc1OC1CNC1,CHEMBL1645597,7.66
+Fc1ccccc1Oc1cccc(F)c1OC1CNC1,CHEMBL1645598,7.92
+Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1,CHEMBL1645599,7.85
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645600,9.0
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645601,8.52
+Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1,CHEMBL1645603,8.22
+Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645604,7.8
+Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1,CHEMBL1645605,7.8
+Fc1ccccc1Oc1ccccc1OC1CCNCC1,CHEMBL1645606,6.16
+Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645607,7.52
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645608,8.1
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645609,8.4
+Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1,CHEMBL1645610,7.05
+Fc1ccccc1Oc1ccccc1OC1CCNC1,CHEMBL1645611,6.71
+Fc1ccccc1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645612,8.1
+Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1,CHEMBL1645613,7.72
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645614,8.4
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645615,8.52
+Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@H]1CCNC1,CHEMBL1645616,7.89
+Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1,CHEMBL1645617,9.0
+Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1,CHEMBL1645618,6.69
+Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1,CHEMBL1645619,7.19
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,6.34
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,6.07
+O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642889,5.36
+O=C(Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL1642866,5.52
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684125,8.12
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684028,8.01
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684128,7.24
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1,CHEMBL1774080,8.43
+O=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL1774062,7.94
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL1774063,7.75
+O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c-2n1,CHEMBL1774064,7.85
+O=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL1774065,7.39
+O=c1ccc2c[nH]c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc-2n1,CHEMBL1774066,7.28
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)nc2N1,CHEMBL1774067,8.34
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(F)c4Cl)CC3)nc2N1,CHEMBL1774068,8.77
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl,CHEMBL1774069,7.86
+Cc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774070,8.41
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C,CHEMBL1774071,8.07
+Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774072,8.08
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4F)CC3)nc2N1,CHEMBL1774073,8.92
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4Cl)CC3)nc2N1,CHEMBL1774074,9.02
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4C(F)(F)F)CC3)nc2N1,CHEMBL1774075,8.46
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1,CHEMBL1774076,8.2
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1,CHEMBL1774077,7.55
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCO5)CC3)nc2N1,CHEMBL1774078,9.11
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1,CHEMBL1774079,8.96
+O=C1CCc2ccc(OCCCCN3CCN(c4c(F)ccc5ccccc45)CC3)nc2N1,CHEMBL1774081,9.08
+O=C1CCc2ccc(OCCCCN3CCN(c4cc(F)cc5ccccc45)CC3)nc2N1,CHEMBL1774082,8.48
+O=C1CCc2ccc(OCCCCN3CCN(c4ccc(F)c5ccccc45)CC3)nc2N1,CHEMBL1774083,8.7
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c(F)cccc45)CC3)nc2N1,CHEMBL1774084,8.52
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)nc2N1,CHEMBL1774085,8.92
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1,CHEMBL1774086,8.96
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1,CHEMBL1774087,9.11
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(I)(CC1)C2,CHEMBL1774997,9.33
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(I)(CC1)CC2,CHEMBL1774996,8.71
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,9.02
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CC3CC(C1)C(I)C(C3)C2,CHEMBL1774994,8.77
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1,CHEMBL423361,9.48
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1,CHEMBL1774993,9.06
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1,CHEMBL1774992,8.95
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,8.805
+COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1,CHEMBL1774990,8.67
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL1774383,7.31
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL1774384,6.8
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1774385,7.42
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL1774386,5.94
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774532,7.14
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774533,6.3
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1774534,7.0
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1774535,6.65
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL1774536,6.52
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774537,5.22
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1774538,6.86
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL1774539,5.67
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774540,5.93
+Fc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1,CHEMBL135588,5.3
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL134598,5.3
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,7.36
+COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135451,6.44
+COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL424090,6.3
+COc1ccc(N2CCN(CCC(O)c3ccc(-c4ccccc4)cc3)CC2)cc1,CHEMBL1785010,6.07
+COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1,CHEMBL336562,7.47
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL42810,8.26
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL33150,8.62
+COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1,CHEMBL1784930,7.96
+COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1,CHEMBL1784932,7.82
+CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCC34CCCN3C(=O)N(CCCCN3CCN(c5cccc6ccccc56)CC3)C4=O)cccc12,CHEMBL1784933,8.3
+COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCNCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1,CHEMBL1784934,8.15
+COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1,CHEMBL1784935,8.05
+CN(C)S(=O)(=O)c1cccc2c(N3CCN(CCCCN4C(=O)C5CCCN5C4=O)CC3)cccc12,CHEMBL1784937,6.46
+CN(C)S(=O)(=O)c1ccc2c(N3CCN(CCCCN4C(=O)C5CCCN5C4=O)CC3)cccc2c1,CHEMBL1784938,7.01
+CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCN4C(=O)C5CCCN5C4=O)CC3)c2c1,CHEMBL1784939,8.62
+N#Cc1ccc(N2CCC(NCCC(O)c3csc4ccccc34)CC2)cc1,CHEMBL1782811,6.8
+O=C(CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)c1csc2ccccc12,CHEMBL1782804,7.3
+N#Cc1ccc(N2CCCN(CCC(O)c3csc4ccccc34)CC2)cc1,CHEMBL1782809,5.5
+CCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL478671,7.92
+CCCN1CCc2cccc3c2C1Cc1cccc(O)c1-3,CHEMBL329904,7.18
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NCC)c1-3,CHEMBL1806813,6.66
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCC)c1-3,CHEMBL1806814,7.03
+CCCNC(=O)Oc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3,CHEMBL1806863,6.59
+CCCNC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL1806864,7.06
+CCCCNC(=O)Oc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3,CHEMBL1806865,6.41
+CCCCNC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL1806866,7.05
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c1-3,CHEMBL1806867,6.66
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3,CHEMBL1806868,7.02
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c1-3,CHEMBL1806869,6.91
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806870,6.59
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806871,7.05
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)CCCCC2CCSS2)c1-3,CHEMBL1806873,6.86
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c1-3,CHEMBL1806874,7.18
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1-3,CHEMBL1806875,7.35
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c1-3,CHEMBL1806876,7.46
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3,CHEMBL1806877,6.56
+CCCC(=O)Nc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL1806878,6.42
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(NC(=O)CCCCC2CCSS2)c1-3,CHEMBL1806879,6.6
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2O)CC1,CHEMBL1822386,5.6
+COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1,CHEMBL1824264,5.26
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,5.82
+Nc1nccc(-c2c[nH]c3cccc(O)c23)n1,CHEMBL50498,6.16
+COc1cccc2[nH]cc(-c3ccnc(N)n3)c12,CHEMBL1829959,5.87
+CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,CHEMBL1836317,6.32
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,9.485
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,9.075
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,9.06
+COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1,CHEMBL1910138,8.74
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CC3CC(CC(CF)(C3)C1)C2,CHEMBL1910142,8.96
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41CF,CHEMBL1910143,9.24
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(CF)(CC1)CC2,CHEMBL1910144,9.12
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(CF)(CC1)C2,CHEMBL1910145,9.13
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.18
+Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940405,6.34
+Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940406,6.77
+O=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1940407,6.21
+Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940408,6.95
+Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940409,6.78
+Fc1ccc(SCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1,CHEMBL1940410,5.97
+Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940411,7.1
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940412,7.62
+Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1,CHEMBL1940413,6.81
+c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940414,7.6
+Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940415,8.07
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,7.03
+Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940417,7.64
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,8.96
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,8.21
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,8.44
+COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946777,7.64
+c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1946778,8.7
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1,CHEMBL1946779,9.08
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946780,8.36
+O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946781,7.98
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1946782,8.46
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1,CHEMBL1946783,8.46
+O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946784,8.03
+O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946785,8.02
+COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O,CHEMBL1946786,9.49
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1,CHEMBL1946787,9.25
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1,CHEMBL1946788,9.1
+CC1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CCCC1=O,CHEMBL1945475,6.15
+O=C1CCCC(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1,CHEMBL1945678,4.97
+CC1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL1945679,6.11
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1,CHEMBL1945680,5.96
+CC1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC(C)(C)CC1=O,CHEMBL1945681,6.66
+CC1(C)CC(=O)N(CCCCN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C(=O)C1,CHEMBL1945682,5.68
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1,CHEMBL1945683,4.23
+CC1(C)CC(=O)N(CCCCN2CCN(c3ccc4c(Cl)cccc4n3)CC2)C(=O)C1,CHEMBL1945684,5.85
+CC(=O)Nc1ccc2nc(N3CCN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC3)ccc2c1,CHEMBL1945685,5.49
+CC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)c2ccccc2C1=O,CHEMBL485540,7.89
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL483176,7.41
+CC1CN(c2ccc3ccccc3n2)CCN1CCCN1C(=O)c2ccccc2C1=O,CHEMBL520024,6.56
+CC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O,CHEMBL485541,7.43
+CC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL485542,7.62
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL299638,7.41
+CC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CC(C)(C)CC1=O,CHEMBL1945686,7.82
+CC1(C)CC(=O)N(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C(=O)C1,CHEMBL297702,7.96
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1,CHEMBL1946122,6.91
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,6.99
+O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1,CHEMBL1946124,6.38
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,6.77
+Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946126,7.14
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,7.04
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,6.58
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,6.67
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,6.31
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1,CHEMBL1946745,6.56
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2,CHEMBL2022269,6.43
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022271,6.58
+Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022272,7.72
+Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2,CHEMBL2022273,6.88
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.66
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,6.36
+O=C(NC1CCCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031873,5.06
+CN(C)C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031874,5.06
+C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031876,5.01
+C[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031877,5.04
+CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1,CHEMBL2031884,5.0
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C1=O,CHEMBL2031885,4.91
+O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029915,6.04
+O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029916,7.02
+O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029917,6.8
+O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029918,6.91
+O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029919,5.65
+O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1ccccn1,CHEMBL2029920,6.9
+O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1cccnc1,CHEMBL2029921,6.4
+O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029922,6.64
+O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029923,9.24
+O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029924,8.33
+O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029925,8.86
+O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029926,8.65
+O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029927,8.24
+O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)Nc1ccccn1,CHEMBL2029928,8.12
+O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029929,9.02
+O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029930,9.3
+c1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029931,7.36
+N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,CHEMBL439849,9.52
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,6.51
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,7.04
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.11
+c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1,CHEMBL2037521,8.18
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,8.29
+c1ccc2c(c1)CN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037523,6.95
+O=C(CCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037525,6.46
+O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037518,7.07
+O=C(CCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037519,7.2
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,6.6
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,6.99
+O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1,CHEMBL2037527,6.67
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,7.55
+O=C(CCCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037529,8.44
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,8.44
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,8.14
+COc1cc2c(cc1OC)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2,CHEMBL2057442,6.14
+COc1cc(OC)c2c(c1CO)C[C@H]1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2057438,6.22
+C=CCc1ccccc1OC(C)C1=NCCN1,CHEMBL495095,7.55
+C=CCc1ccccc1O[C@@H](C)C1=NCCN1,CHEMBL1276140,7.45
+CC(Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL1956195,7.98
+C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089155,7.4
+C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1,CHEMBL2089156,8.24
+Clc1cccc(Cl)c1NC1=NCCN1,CHEMBL134,5.49
+CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,CHEMBL17860,6.9
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159455,7.0
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1,CHEMBL2159456,6.08
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159457,6.85
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL2159458,6.54
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1,CHEMBL2159459,6.04
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159460,6.98
+CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159461,7.74
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1,CHEMBL2159462,6.55
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1,CHEMBL2159463,6.34
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1,CHEMBL2159464,6.63
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159465,6.36
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1,CHEMBL2159466,6.5
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F,CHEMBL2159467,7.32
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc3ccccc3n2)C1,CHEMBL2159468,7.52
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1,CHEMBL2159469,7.35
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccs2)C1,CHEMBL2159470,7.68
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1,CHEMBL2159471,7.35
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1,CHEMBL2159472,7.89
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1,CHEMBL2159473,6.57
+O=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1,CHEMBL2159474,7.55
+O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1,CHEMBL2159475,6.14
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159476,7.19
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1,CHEMBL2159477,7.64
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2159478,8.0
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159479,8.05
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1ccc(F)cc1,CHEMBL2159480,7.66
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)c(F)c1,CHEMBL2159481,7.04
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1ccc(F)c(F)c1,CHEMBL2159482,6.64
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cc(F)ccc1F,CHEMBL2159483,7.09
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F,CHEMBL2159484,8.0
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159485,7.51
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159486,8.3
+CC(C)c1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159487,7.31
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159488,7.12
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159489,7.66
+CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159490,7.05
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159491,6.83
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159492,7.49
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,5.93
+Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165137,9.22
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165126,9.22
+Cc1ccccc1-c1cccc(N2CCNCC2)c1,CHEMBL2164330,7.76
+COc1cccc(OC)c1-c1cccc(N2CCNCC2)c1,CHEMBL2164343,6.83
+c1ccc(-c2cccc(N3CCNCC3)c2)nc1,CHEMBL2164341,7.83
+O=[N+]([O-])c1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164339,7.5
+COc1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL2164336,6.32
+Fc1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164333,7.2
+c1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164331,7.14
+c1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL494675,7.0
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,9.225
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,8.825
+O=C(c1cnc2ccccc2n1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164346,8.08
+O=C(c1cccc2ccccc12)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164345,7.85
+O=C(c1ccc2ccccc2c1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164355,8.08
+O=C(c1cnc2ccccc2n1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164353,7.44
+O=C(c1cccc2ccccc12)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164352,7.45
+O=C(c1ccc2ccccc2c1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164351,7.79
+COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1,CHEMBL2164349,8.61
+COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1,CHEMBL2164348,8.72
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1,CHEMBL2164347,8.79
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.05
+CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1,CHEMBL2181168,5.25
+CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1,CHEMBL2181170,5.3
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.17
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,7.615
+Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2205035,7.19
+Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1,CHEMBL2205034,6.51
+Cc1ccc(Sc2ccccc2N2CCN(C)CC2)c(C)c1,CHEMBL2205033,6.92
+Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1,CHEMBL2205032,6.27
+Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1,CHEMBL2205031,5.85
+Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1,CHEMBL2204365,5.57
+Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1,CHEMBL2204364,6.38
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204363,7.11
+COc1cc(C)ccc1Sc1ccccc1N1CCNCC1,CHEMBL2204362,6.68
+COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204361,7.03
+Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1,CHEMBL2204359,7.11
+COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1,CHEMBL2204358,6.48
+Cc1cccc(Sc2ccccc2N2CCNCC2)c1C,CHEMBL2204357,7.51
+Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl,CHEMBL2204356,7.12
+COc1cccc(Sc2ccccc2N2CCNCC2)c1OC,CHEMBL2204355,7.17
+Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C,CHEMBL2205054,7.28
+Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl,CHEMBL2205053,7.17
+COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC,CHEMBL2205052,6.8
+Cc1ccccc1Sc1ccccc1N1CCNCC1,CHEMBL2205051,7.85
+COc1ccccc1Sc1ccccc1N1CCNCC1,CHEMBL2205050,7.23
+Cc1cccc(Sc2ccccc2N2CCNCC2)c1,CHEMBL2205049,7.0
+COc1cccc(Sc2ccccc2N2CCNCC2)c1,CHEMBL2205048,6.85
+CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205047,5.6
+FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205046,6.62
+Cc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205045,7.36
+Fc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205044,7.41
+Clc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205043,7.16
+COc1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205042,6.89
+c1ccc(Sc2ccccc2N2CCNCC2)cc1,CHEMBL2205041,7.52
+Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1,CHEMBL2205040,5.55
+Cc1ccc(Sc2ccc(F)cc2)c(N2CCNCC2)c1,CHEMBL2205039,5.96
+Cc1ccc(Sc2ccc(Cl)cc2)c(N2CCNCC2)c1,CHEMBL2205038,5.6
+COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1,CHEMBL2205037,5.4
+Cc1ccc(Sc2ccccc2)c(N2CCNCC2)c1,CHEMBL2205036,5.96
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,5.24
+CCc1cccc(CC)c1Cc1ncc[nH]1,CHEMBL2206397,5.89
+CCOC(=O)Cn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237141,6.23
+CCCCn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237140,7.0
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237139,6.42
+COc1ccccc1N1CCN(CCCN2C(=O)CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237138,6.78
+Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237137,7.22
+COc1ccccc1N1CCN(CCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL91588,7.98
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237425,7.48
+COc1ccccc1N1CCN(CCCN2C(=O)CCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237163,7.67
+Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237162,7.37
+COc1ccccc1N1CCN(CCCN2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237161,7.76
+Cn1c(=O)c2c(nc3n2CCCCN3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237160,7.57
+COc1ccccc1N1CCN(CCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL328292,8.55
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237159,7.59
+Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237158,6.32
+Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237157,7.38
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237156,7.44
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL91021,7.6
+Cn1c(=O)c2c(nc3n2CCCN3CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL86719,8.68
+Cn1c(=O)c2c(nc3n2CCCCN3CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL2237155,7.51
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL2237154,7.8
+O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2298799,7.04
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=O,CHEMBL2298807,7.0
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,6.9
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,7.23
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,7.47
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccnc12,CHEMBL2312638,6.95
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,7.77
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312937,7.1
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312936,7.06
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,7.64
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,7.85
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312642,7.6
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312641,7.64
+COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312536,9.51
+c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312538,9.4
+COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312226,9.26
+c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312537,9.23
+COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312227,9.18
+COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312225,8.85
+COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL1182155,8.61
+COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL36622,7.39
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCCO4,CHEMBL2334881,6.68
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL1457510,6.04
+COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL448891,6.83
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL52096,9.1
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,5.495
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.77
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.35
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,5.96
+COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1,CHEMBL2401935,6.93
+COc1ccc2c(=O)c3cc(CN4CCN(c5ccccc5OC)CC4)ccc3oc2c1,CHEMBL2401934,6.37
+COc1ccc2c(=O)c3cc(CN4CCN(Cc5ccccc5)CC4)ccc3oc2c1,CHEMBL3217036,5.78
+COc1ccc2c(=O)c3cc(CN4CCN(C)CC4)ccc3oc2c1,CHEMBL3215930,4.8
+COc1ccc2c(=O)c3cccc(CN4CCN(c5ccccc5OC)CC4)c3oc2c1,CHEMBL2401931,7.62
+O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12,CHEMBL3216145,5.35
+CN1CCN(Cc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1,CHEMBL3215698,4.87
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,CHEMBL74656,6.1
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,9.82
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,10.0
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,6.4
+c1ccc(OC2CC2)c(OCC2=NCCN2)c1,CHEMBL2431280,7.1
+Brc1ccccc1OCC1=NCCN1,CHEMBL2431279,6.25
+CCCc1ccccc1OCC1=NCCN1,CHEMBL13917,7.1
+c1ccc(C2CC2)c(OCC2=NCCN2)c1,CHEMBL13852,7.46
+c1ccc(OCC2=NCCN2)c(CC2CC2)c1,CHEMBL2431281,7.08
+C=CCc1ccccc1OCC1=NCCN1,CHEMBL14107,7.15
+CCCc1ccccc1OC(C)C1=NCCN1,CHEMBL2431282,7.86
+C[C@H](Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276220,8.22
+CC(Oc1ccccc1C1CC1)C1=NCCN1,CHEMBL1276218,8.14
+CC(Oc1ccccc1OC1CC1)C1=NCCN1,CHEMBL1956197,7.83
+CC(Oc1ccccc1Br)C1=NCCN1,CHEMBL1956192,6.83
+CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N=C1N,CHEMBL2442276,5.13
+CN1C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N=C1N,CHEMBL2442277,5.14
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,5.16
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,5.34
+CN1C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N=C1N,CHEMBL2442275,5.46
+O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL2058695,5.56
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058416,5.58
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058427,5.6
+CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O,CHEMBL2058420,5.74
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O,CHEMBL2058419,6.5
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccncc3)CC2)cc1,CHEMBL2442999,6.06
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3cccnc3)CC2)cc1,CHEMBL2442998,5.89
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccccn3)CC2)cc1,CHEMBL2442997,6.04
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccncc3)CC2)cc1,CHEMBL2442996,6.62
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3cccnc3)CC2)cc1,CHEMBL2442995,7.1
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccccn3)CC2)cc1,CHEMBL2442994,7.46
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,5.88
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.43
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.21
+COc1ccc(CNC(=O)CCCCCN2CCN(c3cccnc3-c3ccncc3)CC2)cc1,CHEMBL3113604,6.27
+COc1ccc(CNC(=O)CCCCCN2CCN(c3ncccc3-c3ccncc3)CC2)cc1,CHEMBL3113603,6.21
+O=C(CCCCCN1CCN(c2cccnc2-c2ccncc2)CC1)NCc1ccc(F)nc1,CHEMBL3113602,6.02
+O=C(CCCCCN1CCN(c2ncccc2-c2ccncc2)CC1)NCc1ccc(F)nc1,CHEMBL3113601,6.69
+COc1ccc(CNC(=O)CCOCCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)cc1,CHEMBL3113600,6.57
+COc1ccc(CNC(=O)CCOCCN2CCN(c3cccc(-c4ccccc4OC)c3)CC2)cc1,CHEMBL3113599,6.73
+COc1ccc(CNC(=O)CCOCCN2CCN(c3ccccc3-c3ccccc3C)CC2)cc1,CHEMBL3113598,6.13
+O=C(CCOCCN1CCN(c2ccccc2-c2ccc(F)cc2)CC1)NCc1ccc(F)nc1,CHEMBL3113597,6.36
+COc1ccccc1-c1cccc(N2CCN(CCOCCC(=O)NCc3ccc(F)nc3)CC2)c1,CHEMBL3113596,6.41
+Cc1ccccc1-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1,CHEMBL3113595,6.06
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccc(F)nc3)CC2)cc1,CHEMBL3113594,6.25
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(F)nc3)CC2)cc1,CHEMBL3113593,6.82
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C)c2)CC1,CHEMBL177064,7.39
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.4
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,5.82
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,6.31
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,6.99
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,5.83
+CSc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235726,7.33
+CSc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235727,7.85
+CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235728,7.64
+CSc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)CC1,CHEMBL3235729,6.5
+COc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235730,6.67
+COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235731,7.36
+COc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)CC1,CHEMBL3235732,5.2
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2ccccc2O)CC1,CHEMBL3235733,7.28
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3235734,6.63
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2F)CC1,CHEMBL3235735,6.85
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3235736,7.42
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235737,6.24
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235738,7.08
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235739,8.4
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235740,5.54
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235741,6.67
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235742,6.91
+CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235743,7.74
+CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235745,8.7
+CSc1ccccc1N1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1,CHEMBL3235746,6.91
+COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235747,6.97
+COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235748,7.92
+COc1ccccc1N1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1,CHEMBL3235749,7.11
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2O)CC1,CHEMBL3235750,7.14
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3235751,6.63
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3235752,6.3
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3235753,6.68
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235754,5.72
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235755,6.19
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235756,7.8
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL3235757,6.67
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235758,6.42
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235759,6.64
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235760,7.05
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,7.28
+CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1916746,6.49
+COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL1916745,8.19
+COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL2079256,9.1
+CCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL3233401,8.26
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL3233402,7.88
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O,CHEMBL3233665,6.87
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O,CHEMBL3233666,6.91
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1,CHEMBL3233667,7.63
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3233668,7.1
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1,CHEMBL3233669,7.59
+COc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1,CHEMBL3233670,7.35
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1,CHEMBL3233671,7.12
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233672,6.7
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233673,6.63
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233674,6.52
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233675,6.52
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3233676,7.06
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3233677,6.52
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3233678,5.66
+COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3233679,6.92
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233412,6.44
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,6.69
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,5.88
+O=C(NCCN1CCN(c2ccccc2)CC1)c1cnc2ccccc2n1,CHEMBL3264363,7.52
+O=C(NCCN1CC=C(c2ccccc2)CC1)c1cnc2ccccc2n1,CHEMBL3264364,8.42
+O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cnc2ccccc2n1,CHEMBL3264365,7.2
+O=C(NCCN1CC=C(c2ccc(F)cc2)CC1)c1cnc2ccccc2n1,CHEMBL3264366,7.85
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1,CHEMBL3264367,7.57
+O=C(NCCN1CC=C(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1,CHEMBL3264368,8.03
+Cc1ccc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1,CHEMBL3264369,7.56
+Cc1ccc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1,CHEMBL3264370,8.12
+O=C(NCCN1CCN(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1,CHEMBL3264371,7.95
+O=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1,CHEMBL3264372,8.58
+Cc1cc(C)cc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1,CHEMBL3264373,8.44
+Cc1cc(C)cc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1,CHEMBL3264374,8.96
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL3264375,7.61
+O=C(NCCN1CC=C(c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL3264376,8.21
+O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3264377,7.27
+O=C(NCCN1CC=C(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3264378,7.47
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3264379,7.29
+O=C(NCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3264380,7.37
+Cc1ccc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL3264381,6.65
+Cc1ccc(C2=CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL3264382,7.5
+O=C(NCCN1CCN(c2cc(F)cc(F)c2)CC1)c1ccc2ccccc2c1,CHEMBL3264383,7.54
+O=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1ccc2ccccc2c1,CHEMBL3264384,8.14
+Cc1cc(C)cc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3264385,7.68
+Cc1cc(C)cc(C2=CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3264386,8.09
+O=C1c2ccccc2C(=O)N1CCN1CC=C(c2ccccc2)CC1,CHEMBL3264387,6.15
+O=C1c2ccccc2C(=O)N1CCN1CC=C(c2ccc(Cl)cc2)CC1,CHEMBL3264390,6.2
+O=C1c2ccccc2C(=O)N1CCN1CC=C(c2cc(F)cc(F)c2)CC1,CHEMBL3264394,6.37
+Cc1cc(C)cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1,CHEMBL3264395,6.3
+Cc1cc(C)cc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1,CHEMBL3264396,6.98
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,6.96
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,7.395
+CCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344456,6.0
+CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344458,6.06
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CCC4)cc3CN1CC2,CHEMBL3344465,6.11
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CC4)cc3CN1CC2,CHEMBL3344466,6.76
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCl)cc3CN1CC2,CHEMBL3344467,6.26
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCl)cc3CN1CC2,CHEMBL3344468,6.93
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)Cl)cc3CN1CC2,CHEMBL3344469,6.54
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCCl)cc3CN1CC2,CHEMBL3344470,6.18
+c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL3343975,5.64
+Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343976,6.21
+Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343977,5.46
+COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343978,6.05
+Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12,CHEMBL3343979,5.93
+COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL532818,5.51
+c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL533979,6.08
+Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343980,5.96
+COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1,CHEMBL3343981,5.86
+Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343982,5.9
+COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343983,5.55
+COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL3343984,6.22
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1,CHEMBL3358494,7.52
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C,CHEMBL3358493,8.4
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL3358492,7.77
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)n1,CHEMBL3358107,8.7
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,CHEMBL3358105,7.82
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1,CHEMBL3358104,8.72
+COc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1,CHEMBL3358103,7.23
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1,CHEMBL3358102,8.0
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,7.92
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2cn1,CHEMBL3358101,7.59
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358100,8.1
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358099,8.1
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358098,7.8
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)n1,CHEMBL3358495,8.7
+O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358496,7.17
+O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1,CHEMBL3358498,7.96
+O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358499,7.14
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL3358501,7.03
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358502,7.74
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358503,7.59
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2n1,CHEMBL3358504,7.62
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccccc2N1,CHEMBL3358505,8.0
+Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358506,6.93
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1,CHEMBL3358507,7.07
+Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358508,7.37
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1,CHEMBL3358509,7.0
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358510,8.52
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358511,8.22
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1,CHEMBL3358512,9.15
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL3358514,7.28
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)c1,CHEMBL3358515,7.44
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358516,8.52
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358517,8.1
+COc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)n3)CC2)c1,CHEMBL3358518,7.36
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cccnc1,CHEMBL3358519,7.07
+COc1ccc2cccc(N3CCN(CCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL3330626,6.76
+COc1ccc2cccc(N3CCN(CCCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL3330625,6.62
+CCOc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL3330624,8.68
+Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O)cc34)CC2)c1=O,CHEMBL3330623,9.36
+COc1ccccc1N1CCN(CCCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330622,6.82
+Cn1c(=O)cnn(CCCN2CCN(c3ccccc3F)CC2)c1=O,CHEMBL3330621,6.6
+Cn1c(=O)cnn(CCCN2CCN(c3ccccc3)CC2)c1=O,CHEMBL3330620,6.46
+COc1ccccc1N1CCN(CCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330619,6.74
+COc1ccccc1N1CCN(CCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330618,6.62
+Cn1c(=O)cnn(CCCCN2CCN(c3cccc(Br)n3)CC2)c1=O,CHEMBL3330617,8.85
+Cn1c(=O)cnn(CCCCN2CCN(c3cccc(F)n3)CC2)c1=O,CHEMBL3330616,9.7
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3S)CC2)c1=O,CHEMBL3330615,8.1
+Cn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O,CHEMBL2104230,6.76
+Cn1c(=O)cnn(CCCCN2CCN(c3ncccc3F)CC2)c1=O,CHEMBL3330614,8.92
+Cn1c(=O)cnn(CCCCN2CCN(c3ccc(F)cn3)CC2)c1=O,CHEMBL3330613,7.17
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccn3)CC2)c1=O,CHEMBL3330612,8.96
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3F)CC2)c1=O,CHEMBL3330611,8.72
+Cn1c(=O)cnn(CCCCN2CCN(c3cccc(O)c3)CC2)c1=O,CHEMBL3330610,8.55
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3O)CC2)c1=O,CHEMBL3330609,8.77
+Cn1c(=O)cnn(CCCCN2CCN(c3c(Br)cccc3C#N)CC2)c1=O,CHEMBL3330608,7.55
+COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c(C#N)c1,CHEMBL3330607,6.67
+Cn1c(=O)cnn(CCCCN2CCN(c3c(F)cccc3C#N)CC2)c1=O,CHEMBL3330606,8.32
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3C#N)CC2)c1=O,CHEMBL3330605,9.08
+Cn1c(=O)cnn(CCCCN2CCN(c3ccc(I)cc3)CC2)c1=O,CHEMBL3330604,7.23
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3)CC2)c1=O,CHEMBL3330603,8.6
+CSc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3329234,9.34
+CNc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330602,6.66
+CN(C)c1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330601,6.74
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCCF)CC2)c1=O,CHEMBL3330600,9.1
+CCOc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL3330599,9.18
+COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c(OC)c1,CHEMBL3330598,6.72
+COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,CHEMBL3330597,6.38
+COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1,CHEMBL2234448,8.29
+COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1,CHEMBL3342852,8.03
+COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1,CHEMBL3341769,7.33
+COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1,CHEMBL3342853,7.84
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)CC3)O2)CC1,CHEMBL3342854,6.93
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1,CHEMBL3342855,7.09
+COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1,CHEMBL3342856,6.8
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1,CHEMBL3342857,7.8
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1,CHEMBL3342858,8.05
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342859,7.23
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342860,7.3
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1,CHEMBL3342861,7.37
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1,CHEMBL3342862,7.69
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1,CHEMBL3342863,7.44
+COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1,CHEMBL3342864,7.19
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1,CHEMBL3342865,6.49
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342866,7.28
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1,CHEMBL3342867,7.57
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1,CHEMBL3342868,7.43
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342869,7.16
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1,CHEMBL3342870,7.61
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1,CHEMBL3342871,7.36
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1,CHEMBL3342872,7.22
+COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1,CHEMBL3342873,6.84
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1,CHEMBL3342874,7.48
+CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2,CHEMBL3342875,7.1
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1,CHEMBL3342876,7.06
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL1688990,8.12
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688991,8.62
+COc1ccccc1N1CCN(CCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353898,8.22
+COc1ccccc1N1CCN(CCCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353899,8.24
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353900,8.13
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353901,8.89
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353902,6.82
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353910,8.03
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353913,8.28
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353914,8.41
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,6.99
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.91
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,7.7
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,7.89
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,8.09
+O=C1Cc2ccccc2N1CCCCCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321796,6.31
+O=C1Cc2ccccc2N1CCCCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321795,6.33
+O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1,CHEMBL3321778,6.24
+O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1,CHEMBL3321777,6.28
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,7.7
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,7.96
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL515939,6.34
+O=c1oc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3331254,7.04
+O=c1sc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3331255,6.04
+COc1ccccc1N1CCN(CCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331256,7.72
+COc1ccccc1N1CCN(CCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331257,7.61
+Cc1ccccc1N1CCN(CCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331258,7.98
+O=c1sc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1,CHEMBL3331259,6.16
+O=c1sc2ccccc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3331260,7.08
+O=c1sc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3331261,8.21
+O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1,CHEMBL3331262,7.13
+O=c1oc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331263,7.72
+O=c1sc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331264,7.02
+COc1ccccc1N1CCN(CCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331382,7.93
+COc1ccccc1N1CCN(CCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331383,8.15
+O=c1oc2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331384,8.4
+O=c1sc2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331385,9.04
+COc1ccccc1N1CCN(CCCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331386,8.89
+COc1ccccc1N1CCN(CCCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331387,9.37
+O=c1oc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331388,7.53
+O=c1sc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331389,9.57
+COc1ccccc1N1CCN(CCCCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331390,9.72
+COc1ccccc1N1CCN(CCCCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331391,9.68
+O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1836857,8.17
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL478680,7.4
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222864,8.22
+O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(Br)s1,CHEMBL3403330,5.37
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1,CHEMBL1319488,4.87
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1,CHEMBL1576791,4.62
+O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CHEMBL2011865,5.61
+Cc1ccc(S(=O)(=O)c2nc(N3CCc4ccccc4C3)sc2Cl)cc1,CHEMBL3403331,5.34
+O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1,CHEMBL3403332,4.69
+O=S(=O)(c1ccc(F)cc1)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12,CHEMBL3403333,4.63
+Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12,CHEMBL3403334,4.67
+O=S(=O)(c1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12,CHEMBL3403335,4.99
+Brc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)C3CCC1,CHEMBL3403336,4.58
+Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccc(Cl)cc32)cc1,CHEMBL3403337,4.81
+O=S(=O)(Nc1ccccc1-c1nccc2ccccc12)c1ccc(Cl)cc1,CHEMBL3403338,5.42
+O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2F)c2ccccc21,CHEMBL1323386,5.56
+O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1,CHEMBL3403339,4.62
+COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1,CHEMBL3403340,4.9
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,CHEMBL1580288,4.91
+Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1,CHEMBL3403341,4.86
+NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1,CHEMBL3403342,4.73
+Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2SCc2ccc(Cl)cc2)cc1,CHEMBL3403343,4.93
+COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N,CHEMBL3403344,4.7
+Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12,CHEMBL3403345,4.71
+NC(=O)c1ccccc1NC(=O)CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3401469,7.4
+Cc1sc2[nH]c(CCCCN3CCN(c4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401470,7.43
+Cc1sc2[nH]c(CCCCCN3CCN(c4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401473,7.82
+Cc1cc2c(=O)nc(CCCCCN3CCN(Cc4ccccc4)CC3)[nH]c2s1,CHEMBL3401474,6.44
+Cc1sc2[nH]c(CCCCCN3CCC(Cc4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401475,6.83
+Cc1sc2[nH]c(CCCCCN3CCN(c4cccc(Cl)c4)CC3)nc(=O)c2c1C,CHEMBL3401476,6.94
+Cc1sc2[nH]c(CCCCCN3CCN(c4ccc(Cl)cc4)CC3)nc(=O)c2c1C,CHEMBL3401477,7.27
+O=c1nc(CCCCN2CCN(c3ccccc3)CC2)[nH]c2ccccc12,CHEMBL3401478,7.44
+O=c1nc(CCCCN2CCN(c3cccc(Cl)c3)CC2)[nH]c2ccccc12,CHEMBL3401479,8.53
+O=c1nc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccccc12,CHEMBL3401480,7.12
+O=c1nc(CCCCCN2CCN(c3ccccc3)CC2)[nH]c2ccccc12,CHEMBL3401481,7.36
+O=c1nc(CCCCCN2CCN(c3cccc(Cl)c3)CC2)[nH]c2ccccc12,CHEMBL3401482,8.13
+O=c1nc(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccccc12,CHEMBL3401483,6.94
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3401484,7.54
+O=c1c2ccccc2ncn1CCCCCN1CCN(Cc2ccccc2)CC1,CHEMBL3401485,6.57
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3401486,8.2
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3401487,7.29
+CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1,CHEMBL3401488,8.98
+Cc1sc2ncn(CCCCCN3CCN(c4ccccc4)CC3)c(=O)c2c1C,CHEMBL3401489,7.79
+Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C,CHEMBL3401490,6.68
+Cc1sc2ncn(CCCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1C,CHEMBL3401491,8.49
+Cc1sc2ncn(CCCCCN3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2c1C,CHEMBL3401492,7.58
+CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1,CHEMBL3401493,8.99
+N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,CHEMBL350221,8.89
+O=C([C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409042,7.46
+O=C([C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409041,8.05
+O=C([C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409040,7.74
+O=C([C@@H]1CCCN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409039,7.46
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)CC1,CHEMBL3409038,7.77
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3407516,7.21
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409036,7.59
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409035,7.18
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3409034,7.7
+CC(C)c1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3409033,7.47
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409032,7.28
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3409031,7.8
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409043,7.8
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409044,7.85
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409045,7.33
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409046,7.44
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409047,7.72
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409048,7.4
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409049,7.8
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,8.17
+Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1,CHEMBL3407810,6.3
+COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581256,6.99
+COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581255,7.04
+C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581254,6.44
+COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581253,6.79
+COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581252,6.65
+CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581251,6.82
+CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581250,6.93
+CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581249,6.61
+COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581248,6.25
+COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581247,6.07
+CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581246,6.56
+CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3580670,6.75
+CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581245,6.82
+CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581244,6.3
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL228082,6.77
+COc1cccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL511857,10.55
+COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1,CHEMBL140406,9.51
+COc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2,CHEMBL423181,9.8
+COc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1,CHEMBL344146,7.64
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2[nH]1,CHEMBL3597643,7.08
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,6.27
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597649,7.17
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597635,8.6
+O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597636,8.05
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597637,7.68
+OCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(O)CCO4)CC2)ccc1Br,CHEMBL3656907,7.48
+COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C(O)CO4)CC2)ccc1Br,CHEMBL3656908,8.13
+O=C1c2cc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)ccc2OCC1O,CHEMBL3656909,8.26
+O=C1c2cc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)ccc2OCC1O,CHEMBL3656910,8.96
+COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br,CHEMBL3656911,8.7
+O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)cc12,CHEMBL3656912,8.68
+O=C1CCOc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc21,CHEMBL3656913,8.89
+O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12,CHEMBL3656914,9.57
+COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)CC(O)O4)CC2)ccc1Br,CHEMBL3656915,7.48
+COCCOc1cc(CC2CCN(CC(O)c3ccc4c(c3)C(=O)CCO4)CC2)ccc1Br,CHEMBL3656916,7.77
+O=C(O)COc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C(O)CO4)CC2)ccc1Br,CHEMBL3656917,7.04
+O=C(O)COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br,CHEMBL3656918,7.17
+COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br,CHEMBL3656920,8.6
+Oc1cc(CC2CCN(CCc3ccc4c(c3)C(O)CCO4)CC2)ccc1Br,CHEMBL3656921,8.07
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.09
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739897,8.52
+c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739932,8.42
+CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1,CHEMBL3740624,6.56
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1,CHEMBL3741279,6.6
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3740054,6.45
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL3742251,6.75
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1,CHEMBL3741657,6.43
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1,CHEMBL3740235,6.68
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1,CHEMBL3742257,6.34
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3739745,6.21
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1,CHEMBL3739561,6.99
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3ncccc23)CC1,CHEMBL3739680,6.63
+CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3740209,7.13
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccccc1,CHEMBL3740691,6.55
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL3740913,6.8
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(F)c1,CHEMBL3740302,6.43
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3740055,6.63
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cc(F)ccc1F,CHEMBL3740801,6.74
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159309,6.72
+Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3741281,6.49
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cncc2ccccc12,CHEMBL3741445,7.13
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc2ncccc12,CHEMBL3739582,6.99
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1,CHEMBL3747052,6.85
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747114,6.72
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747071,6.74
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3747459,6.46
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746806,5.63
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1,CHEMBL3745975,5.35
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3746079,5.04
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3746771,5.02
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746713,7.21
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3745815,7.52
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3747003,7.1
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747148,6.8
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747744,6.6
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3745882,6.67
+CC(C)(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3746083,4.85
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3746493,4.75
+O=S(=O)(c1ccc(F)cc1)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3745853,6.47
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3747240,6.8
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1,CHEMBL3758569,7.13
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1ccc(F)cc1,CHEMBL3759342,6.77
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(F)c1,CHEMBL3759281,6.91
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1,CHEMBL3759819,6.6
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cnn(C)c2)C3)c1,CHEMBL3760010,6.37
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cc(F)ccc2F)C3)c1,CHEMBL3759233,7.29
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)c(F)c2)C3)c1,CHEMBL3759262,7.0
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,CHEMBL3759205,7.01
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(F)c2)C3)c1,CHEMBL3759617,6.85
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(Cl)c2)C3)c1,CHEMBL3758286,6.69
+Cn1cc(S(=O)(=O)NC2CN(CCOc3ccccc3-c3ccccc3)C2)cn1,CHEMBL3759558,7.34
+O=S(=O)(NC1CN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(Cl)c1,CHEMBL3759581,7.64
+CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3758978,7.35
+CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2cccc(F)c2)C1,CHEMBL3759577,7.55
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1ccc(F)cc1,CHEMBL3758622,6.43
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(F)c1,CHEMBL3758591,6.26
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(Cl)c1,CHEMBL3760017,6.25
+Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3747117,5.26
+CC(C)(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759925,5.34
+CC(C)(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL3759298,5.73
+CC(C)c1cccc(C(C)C)c1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759170,5.21
+CC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759651,6.71
+COc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759120,6.33
+Cc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3760121,6.13
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1,CHEMBL3759874,5.75
+Cn1cc(S(=O)(=O)NC2CC3CCC(C2)N3CCOc2cccc(-c3ccccc3)c2)cn1,CHEMBL3758488,6.02
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc(F)cc2)CC1,CHEMBL3759273,6.7
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3759593,6.83
+CC(C)c1ccccc1OCCN1CCC(NC(=O)Nc2cccc(Cl)c2)CC1,CHEMBL3758684,6.23
+CC(C)c1ccccc1OCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1,CHEMBL3758814,6.72
+O=C(Nc1cccc(Cl)c1)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3759437,6.14
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1,CHEMBL3759161,6.3
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccnc2)CC1,CHEMBL3758466,6.43
+Nc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1,CHEMBL3759948,6.39
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1,CHEMBL3758378,6.27
+CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1cccc(Cl)c1,CHEMBL3759570,6.41
+CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1ccc(F)cc1,CHEMBL3759927,6.59
+O=S(=O)(c1cccc(Cl)c1)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1,CHEMBL3759885,5.57
+O=S(=O)(c1ccc(F)cc1)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1,CHEMBL3758619,5.97
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,6.26
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,6.91
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,7.66
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,6.83
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,6.18
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,6.15
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,6.94
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,6.49
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,5.17
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,6.075
+c1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1,CHEMBL3770830,6.26
+O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3770151,8.12
+O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3770589,8.14
+O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3769446,7.3
+O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3771016,6.9
+OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1,CHEMBL3770593,6.38
+c1ccc(CC2CCN(CC3COC4(CCCCC4)O3)CC2)cc1,CHEMBL3769904,6.79
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL3771222,5.25
+Cc1ccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)cc1C,CHEMBL3770110,6.0
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL3770581,6.09
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1=O,CHEMBL3769536,5.04
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)cc3)CC2)C1=O,CHEMBL3770522,5.28
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3)CC2)C1=O,CHEMBL3770293,5.16
+Cc1ccc(C)c(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769612,5.88
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)C1=O,CHEMBL3771309,7.23
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3C#N)CC2)C1=O,CHEMBL3770639,6.5
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3769534,7.01
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O,CHEMBL3769606,6.4
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C1=O,CHEMBL3770473,5.78
+COc1cccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769441,5.53
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C1=O,CHEMBL3769836,5.56
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,6.71
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,6.99
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,6.42
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,6.42
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL3818398,5.93
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.21
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,7.47
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3818940,5.5
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.58
+O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL273241,6.3
+O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,CHEMBL3817911,6.27
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,5.77
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,6.715
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,6.85
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.61
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,6.66
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,7.39
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,7.92
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.15
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.53
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,7.42
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,7.59
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,7.465
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,8.09
diff --git a/chembl_200/CHEMBL2147.csv b/chembl_200/CHEMBL2147.csv
new file mode 100644
index 0000000000000000000000000000000000000000..cb8ab766dba0dd8d8eee121f97cab2532ec89b1c
--- /dev/null
+++ b/chembl_200/CHEMBL2147.csv
@@ -0,0 +1,942 @@
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,6.575
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,5.98
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,5.02
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)cn23)c1,CHEMBL272410,7.96
+Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1,CHEMBL272476,5.35
+O=C(O)c1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1,CHEMBL392221,5.47
+O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12,CHEMBL406652,6.26
+O=C1NC(=O)/C(=C/c2cccc(C(F)(F)F)c2)S1,CHEMBL183906,7.62
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL468280,7.572999999999999
+CN1CCC(N(C)c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL521850,7.0
+CN(c1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2n1)C1CCCCC1,CHEMBL494222,7.31
+CN1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL493561,6.8
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1,CHEMBL493169,7.68
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCNC4)nn23)c1,CHEMBL522497,7.03
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)nn23)c1,CHEMBL493168,7.36
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)nn23)c1,CHEMBL494360,7.96
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCC4)nn23)c1,CHEMBL494196,7.27
+FC(F)(F)c1cccc(-c2nnc3ccc(NCC4CC4)nn23)c1,CHEMBL450568,7.3
+COc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1,CHEMBL468097,6.01
+COc1cccc(-c2nnc3ccc(NC4CC4)nn23)c1,CHEMBL512095,6.39
+Fc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1,CHEMBL467665,6.68
+Fc1cccc(-c2nnc3ccc(NC4CC4)nn23)c1,CHEMBL468941,6.37
+FC(F)(F)c1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1,CHEMBL451964,6.695
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CC4)nn23)c1,CHEMBL468940,7.74
+c1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1,CHEMBL468297,5.74
+CC(C)n1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL509801,7.91
+CCCCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL492223,7.82
+O=c1o[nH]c2c1c(=O)c1cc(F)c(Cl)cc1n2Cc1ccccc1,CHEMBL491405,7.44
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3ccccc3)c21,CHEMBL489783,5.9
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3cccc(O)c3)c21,CHEMBL489784,6.57
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCOCc3ccccc3)c21,CHEMBL522266,5.31
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCO)c21,CHEMBL500183,5.93
+CCn1c2cc(Cl)c(OC)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL454241,5.57
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,8.4
+CCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,CHEMBL478323,5.38
+CCc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,CHEMBL478510,5.68
+COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O,CHEMBL476025,5.35
+CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(O)cc1,CHEMBL478324,5.66
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.6
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.6
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.3
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.0
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.7
+Cc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL582966,6.45
+CN(C)Cc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL572745,7.85
+O=c1[nH]c(CN2CCCCC2)nc2c1sc1ccc(Cl)cc12,CHEMBL573659,7.92
+O=c1[nH]c(CN2CCCNC2)nc2c1sc1ccc(Cl)cc12,CHEMBL573462,7.96
+O=c1[nH]c(CN2CCOCC2)nc2c1sc1ccc(Cl)cc12,CHEMBL584159,6.48
+O=c1nc(CN2CC[C@H](O)C2)[nH]c2c1sc1ccc(Cl)cc12,CHEMBL572513,8.3
+O=c1[nH]c(CN2CC[C@@H](O)C2)nc2c1sc1ccc(Cl)cc12,CHEMBL574819,8.05
+O=c1[nH]c(CN2CCCC(O)C2)nc2c1sc1ccc(Cl)cc12,CHEMBL584564,7.48
+O=c1[nH]c(CN2CCC(O)CC2)nc2c1sc1ccc(Cl)cc12,CHEMBL573475,7.38
+CNCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL572809,7.15
+CN(C)CCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL572743,7.77
+CN(C)CCCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL573037,7.96
+O=c1[nH]c(CNc2ccccc2)nc2c1sc1ccc(Cl)cc12,CHEMBL575469,7.36
+O=c1[nH]c(CNc2ccccc2O)nc2c1sc1ccc(Cl)cc12,CHEMBL573477,7.04
+O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12,CHEMBL573476,9.05
+O=c1[nH]c(CNc2ccc(O)cc2)nc2c1sc1ccc(Cl)cc12,CHEMBL573956,6.97
+COc1cccc(NCc2nc3c(sc4ccc(Cl)cc43)c(=O)[nH]2)c1,CHEMBL573696,7.04
+O=c1[nH]c(CNc2cc(O)cc(O)c2)nc2c1sc1ccc(Cl)cc12,CHEMBL573697,7.18
+Cc1c(O)cccc1NCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,CHEMBL583690,7.42
+Cc1ccc(NCc2nc3c(sc4ccc(Cl)cc43)c(=O)[nH]2)cc1O,CHEMBL575460,7.74
+O=c1[nH]c(CNCCc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12,CHEMBL583947,7.31
+O=c1[nH]c(COc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12,CHEMBL573478,7.8
+CN(C)Cc1nc2c(sc3ccc(Br)cc32)c(=O)[nH]1,CHEMBL575470,8.3
+CN(C)Cc1nc2c(sc3ccccc32)c(=O)[nH]1,CHEMBL573038,6.53
+Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL583099,7.49
+CN(C)Cc1nc2c(sc3ccc(C(F)(F)F)cc32)c(=O)[nH]1,CHEMBL583581,7.96
+CCc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL572556,7.44
+CC(C)c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL583691,7.7
+C=Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL573470,8.05
+CN(C)Cc1nc(=O)c2sc3ccc(/C=C/C4CC4)cc3c2[nH]1,CHEMBL576387,9.0
+C#Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL574168,8.3
+CN(C)CC#Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL572810,7.4
+CN(C)Cc1nc2c(sc3ccc(C#CCCCCN4CCCCC4)cc32)c(=O)[nH]1,CHEMBL576734,8.52
+CN(C)Cc1nc2c(sc3ccc(-c4ccccc4)cc32)c(=O)[nH]1,CHEMBL583273,8.4
+CC(c1ccccc1)c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL573044,7.19
+CN(C)Cc1nc2c(sc3ccc(-c4cccc(F)c4)cc32)c(=O)[nH]1,CHEMBL573705,8.22
+CN(C)Cc1nc2c(sc3ccc(-c4cccc(Cl)c4)cc32)c(=O)[nH]1,CHEMBL582844,8.52
+CN(C)Cc1nc2c(sc3ccc(-c4cccc(OC(F)(F)F)c4)cc32)c(=O)[nH]1,CHEMBL573923,8.3
+CN(C)Cc1nc2c(sc3ccc(-c4cccc(O)c4)cc32)c(=O)[nH]1,CHEMBL583913,9.0
+Cc1ccccc1-c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL572815,7.85
+CCc1ccc(-c2ccc3sc4c(=O)[nH]c(CN(C)C)nc4c3c2)cc1,CHEMBL572550,8.3
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(C#N)cc4)cc32)c(=O)[nH]1,CHEMBL573702,8.3
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(O)cc4)cc32)c(=O)[nH]1,CHEMBL585182,8.7
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(N)cc4)cc32)c(=O)[nH]1,CHEMBL574169,8.7
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)c(=O)[nH]1,CHEMBL575254,7.92
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(O)c(F)c4)cc32)c(=O)[nH]1,CHEMBL572514,9.0
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(N(C)C)cc4)cc32)c(=O)[nH]1,CHEMBL575255,8.4
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(Cl)c(F)c4)cc32)c(=O)[nH]1,CHEMBL575675,8.1
+CN(C)Cc1nc2c(sc3ccc(-c4cc(F)cc(Cl)c4)cc32)c(=O)[nH]1,CHEMBL583385,8.52
+CN(C)Cc1nc2c(sc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)c(=O)[nH]1,CHEMBL575471,8.4
+CN(C)Cc1nc2c(sc3ccc(-c4ccsc4)cc32)c(=O)[nH]1,CHEMBL575263,8.4
+CN(C)Cc1nc2c(sc3ccc(-c4ccc[nH]4)cc32)c(=O)[nH]1,CHEMBL572783,8.1
+CN(C)Cc1nc2c(sc3ccc(-c4ccoc4)cc32)c(=O)[nH]1,CHEMBL572784,8.1
+Cc1cscc1-c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,CHEMBL584563,7.96
+CN(C)Cc1nc2c(sc3ccc(-c4cccnc4)cc32)c(=O)[nH]1,CHEMBL575461,8.7
+CN(C)Cc1nc2c(sc3ccc(-c4cncnc4)cc32)c(=O)[nH]1,CHEMBL573036,7.54
+CN(C)Cc1nc2c(sc3ccc(N4CCCC4)cc32)c(=O)[nH]1,CHEMBL573957,8.4
+CN(C)Cc1nc2c(sc3ccc(N4CCCCC4)cc32)c(=O)[nH]1,CHEMBL573046,6.57
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(OCC(O)CO)cc4)cc32)c(=O)[nH]1,CHEMBL575463,9.0
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(OCCCN)cc4)cc32)c(=O)[nH]1,CHEMBL576388,9.22
+O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(Br)cc12,CHEMBL584161,9.1
+O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(-c3ccsc3)cc12,CHEMBL575264,8.7
+O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(-c3ccccc3)cc12,CHEMBL573011,8.7
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccsc3)cc12,CHEMBL573012,8.3
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccccc3)cc12,CHEMBL572781,8.52
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccc(O)cc3)cc12,CHEMBL583187,9.15
+N#Cc1ccc(-c2ccc3sc4c(=O)[nH]c(CN5CC[C@H](O)C5)nc4c3c2)cc1,CHEMBL573045,8.4
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(/C=C/C3CC3)cc12,CHEMBL573463,9.1
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.895
+O=c1[nH]c(CNCCc2ccccc2)nc2c1sc1ccc(Br)cc12,CHEMBL573929,7.37
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.9
+CCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682335,5.08
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,5.65
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,5.815
+Clc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682347,5.38
+Clc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682349,4.42
+Fc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682350,4.99
+Fc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682351,4.92
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1Cl,CHEMBL1682354,4.69
+Clc1ccc(Cl)c(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682355,4.44
+Clc1cc(Cl)cc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682356,4.38
+CNC(=O)c1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1681795,5.43
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.54
+c1ccc(-c2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682541,6.47
+Cc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682542,5.38
+Nc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682543,5.54
+CCNc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682544,5.71
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.54
+c1ccn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2c1,CHEMBL1682550,5.64
+c1cn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2cn1,CHEMBL1682551,5.73
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,6.305
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.56
+c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2s1,CHEMBL1682556,5.89
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.1
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1,CHEMBL1836673,5.19
+CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836678,4.94
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836679,5.18
+CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,CHEMBL1952329,7.8
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.2
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.5
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,5.8
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.1
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,5.6
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,6.1
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.2
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.4
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.1
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.4
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,6.9
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.1
+Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1381197,6.8
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.0
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.1
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,7.1
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.3
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.8
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,7.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,5.4
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.1
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,6.6
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.1
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.6
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.1
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.9
+O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1,CHEMBL1970950,5.7
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.3
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.9
+COc1ccccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL2006771,5.3
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,6.1
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.6
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.3
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.9
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.1
+N=C(N)Cc1cccc(-c2nc3ccccc3[nH]2)c1,CHEMBL2003622,5.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.2
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.4
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.4
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,6.3
+O=c1nc[nH]c2c(-c3ccccc3)c(C(F)(F)F)sc12,CHEMBL1982881,5.9
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,4.8
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.8
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.3
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.7
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1,CHEMBL1964288,6.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.4
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,7.2
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.0
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.6
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.1
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.1
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.3
+COc1ccccc1C(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1997643,6.3
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.0
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.1
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.5
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.9
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.2
+O=C1CCCc2oc3cc(C(F)(F)F)ccc3c(=O)c21,CHEMBL2006493,6.9
+Clc1cc2n[nH]nc2cc1Cl,CHEMBL1996923,5.2
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.0
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.4
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.1
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.9
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,6.4
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,8.0
+O=c1cc(-c2ccc(F)cc2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004443,7.3
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,6.8
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,5.4
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1C(F)(F)F,CHEMBL1981947,5.1
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,6.8
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,5.35
+O=C(O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1977619,5.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,5.3
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.3
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.6
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.3
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,5.0
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,6.1
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,7.4
+Cc1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1C,CHEMBL1994968,5.3
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.3
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.5
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,5.8
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.3
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.4
+O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL326282,7.6
+COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1OC,CHEMBL1997495,5.3
+CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1,CHEMBL1992732,6.8
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.3
+COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1964340,6.1
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.7
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.0
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.1
+CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1967662,6.4
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.3
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,4.9
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,6.8
+NC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1C(F)(F)F,CHEMBL1997554,5.6
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,6.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.9
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,5.1
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,7.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.3
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.9
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.6
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,5.7
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,6.1
+CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)CNCCCO)n2Cc1ccc(Cl)cc1,CHEMBL1977294,5.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.6
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,4.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,5.5
+Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C,CHEMBL1977814,5.5
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,6.1
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.8
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,5.8
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.1
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,5.5
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,5.5
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.1
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.8
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.7
+CCN(CC)CCNc1ccc(O)c2ccccc12,CHEMBL576113,5.6
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,6.3
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.5
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,6.0
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.4
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,6.9
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,5.4
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,5.3
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.8
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.7
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.2
+Oc1ccc(Cl)cc1C1=NNC(c2ccc3c(c2)OCCO3)C1,CHEMBL1965789,5.7
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,6.8
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.5
+CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1969920,6.6
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,8.3
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,5.3
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.2
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,6.2
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.5
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,5.6
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,6.1
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.6
+CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,CHEMBL1998165,5.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.8
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.8
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.5
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,6.6
+O=C1CC(c2ccccc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1965909,5.6
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.4
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.3
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC,CHEMBL1991434,6.6
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.3
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.6
+O=C1CC(c2ccc(F)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1975815,5.4
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.7
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.9
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,7.7
+CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,CHEMBL1998477,5.4
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.9
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.6
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.8
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.6
+O=C(Nc1ccccc1)Nc1ccccn1,CHEMBL143703,4.1
+Fc1ccc2c(c1)-c1n[nH]cc1CS2,CHEMBL1989069,5.4
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,5.2
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.6
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.1
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.6
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,5.6
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,5.9
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.4
+Cc1ccc(F)c(-c2ccc3nnc(N)n3c2)c1,CHEMBL2002323,5.6
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,6.1
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,6.2
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,5.1
+NC(=O)c1ccc2c(ccn2-c2cccc(Cl)c2)c1,CHEMBL1966354,5.4
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,5.4
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.9
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.5
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.3
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,6.3
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.6
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.6
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,5.4
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.7
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.2
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.1
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,5.2
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,5.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.2
+O=c1cc(-c2cccc(F)c2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004156,6.9
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.7
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1,CHEMBL1991577,5.1
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccccc3)ccc2c1=O,CHEMBL1997839,5.9
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,7.0
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,6.1
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,6.6
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.0
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,5.1
+c1ccc2c(c1)[nH]c1cnccc12,CHEMBL275224,5.2
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,6.8
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,5.4
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.7
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.1
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,5.7
+Cc1c(Cl)c(N2CCC(CN)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1999774,6.9
+Cc1c(O)ccc2c1CCCC2=NNC(=O)Cc1cccc2ccccc12,CHEMBL1972659,6.0
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.1
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.5
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.3
+Cc1cc(=O)n2ncc(C(=O)NCc3ccccc3)c2[nH]1,CHEMBL1986166,5.4
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.4
+CCNNc1cc(C)c(C#N)c2nc3ccccc3n12,CHEMBL2000433,5.4
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.1
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.7
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.5
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.6
+CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,CHEMBL1173055,5.9
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,6.3
+O=C1NC(=O)C(Nc2ccccc2)=C1Cl,CHEMBL2007138,4.8
+Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,CHEMBL1980592,6.1
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.9
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.3
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,4.3
+O=C(Nc1ccccc1)Nc1nccs1,CHEMBL1487428,4.7
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.5
+O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,CHEMBL2003637,7.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.0
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,6.4
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.0
+O=c1oc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL1968646,6.0
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.9
+c1ccc(C2Cc3cn[nH]c3C2)cc1,CHEMBL1993962,4.1
+Nc1cc2c(Oc3ccc(Cl)cc3)cncc2s1,CHEMBL2002471,5.6
+Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL2006785,5.9
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.2
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,6.7
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.0
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.2
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,5.9
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,6.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,8.2
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,5.6
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.2
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.0
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,5.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,5.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,6.2
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,4.6
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,6.0
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.7
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,5.6
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.1
+O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3,CHEMBL1970806,6.8
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.1
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,6.3
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.4
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.4
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,6.6
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,6.4
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.8
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.7
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.5
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,6.7
+CC(C)(C)OC(=O)n1cc(-c2cncn2C2CCCCC2)c2ccccc21,CHEMBL1975357,5.8
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,5.2
+O=C1ON=C(c2ccc(Br)cc2)C1=Cc1ccc2c(c1)OCO2,CHEMBL1966068,5.7
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,5.6
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.7
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.4
+O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)[nH][nH]c-2n1,CHEMBL1230164,5.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.2
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.6
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,6.5
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,6.1
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,5.5
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.1
+O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1,CHEMBL1986265,7.1
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.2
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.1
+O=C(Nc1cccc(Cl)c1)Nc1nc(CCNc2ncnc3ccsc23)cs1,CHEMBL1986177,5.3
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,6.5
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.2
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,7.0
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,5.7
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.9
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.6
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,5.7
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.0
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC,CHEMBL1996604,5.8
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,7.2
+O=c1[nH]cc(I)c2nc(-c3ccccc3)cn12,CHEMBL2001668,5.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.7
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.8
+O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(Br)c1c2=O,CHEMBL1976158,5.5
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,5.4
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,5.4
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.6
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.4
+CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,CHEMBL399530,5.8
+COc1cccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,CHEMBL1997759,5.2
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,6.0
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,4.3
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,6.0
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,6.3
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.1
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.5
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.1
+CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,CHEMBL1999279,5.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.2
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.2
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.3
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.5
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.9
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.2
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.4
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.4
+CCOC(=O)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1990708,5.5
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.5
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21,CHEMBL1977604,5.3
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,6.7
+NC(=O)c1cccc2[nH]c(-c3cccc(NCCN4CCCC4)n3)nc12,CHEMBL1985309,5.7
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.1
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.6
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,6.2
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,7.4
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.2
+Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21,CHEMBL207400,5.3
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,7.6
+COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1,CHEMBL1991356,6.3
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,5.2
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.6
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,5.1
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1,CHEMBL1971463,5.8
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.1
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.4
+O=C1CC(c2ccc(Cl)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1990432,5.3
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.1
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,5.3
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,5.6
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,6.5
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.7
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,5.7
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,7.0
+Clc1ccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)cc1,CHEMBL2005767,5.7
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.8
+COCCn1c(C)c(C)sc1=NC(=O)c1cc(SC)ccc1Cl,CHEMBL1988000,5.2
+NC1CCCCC1Nc1nccc(Nc2ccccc2C(=O)O)n1,CHEMBL1985153,5.7
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.6
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,6.2
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,7.5
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,4.0
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.5
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,7.1
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,5.9
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.4
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,5.4
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,7.3
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,5.9
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.3
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.0
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.7
+CNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2Br)C1,CHEMBL2004647,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,8.0
+O=c1nc[nH]c2ccc(Br)cc12,CHEMBL562488,5.1
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,5.4
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.2
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,6.9
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.7
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.4
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.0
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.3
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.0
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,6.9
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.0
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,7.6
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.8
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,5.5
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.1
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.5
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,5.3
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,5.3
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,6.2
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,6.1
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.9
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,5.5
+FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1999153,6.3
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,7.2
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,5.7
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.5
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.9
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,6.6
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.5
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.5
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.5
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.7
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,6.6
+Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL1978656,6.2
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.3
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.4
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.3
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,5.8
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.0
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,5.6
+Cc1ccc2c(=O)nc[nH]c2c1,CHEMBL1949851,5.1
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.0
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.7
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,5.6
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.6
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.8
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.1
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.4
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.3
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.0
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,6.0
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.5
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,5.8
+COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,CHEMBL1982167,5.3
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.1
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.3
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.7
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,5.7
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.2
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.4
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,6.1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.4
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.3
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.1
+CN1CCN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CC1,CHEMBL1972218,5.3
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.3
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,8.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.1
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,5.7
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.9
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.1
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.1
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.4
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.5
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.4
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,5.0
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.6
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,6.0
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,5.8
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.8
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,6.3
+Nc1ncnc2sccc12,CHEMBL1972934,4.7
+COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1,CHEMBL1972937,6.2
+Cc1ccc2c(Nc3cc(OCc4ccccc4Br)ccc3Sc3ccc(O)cc3)ncnc2n1,CHEMBL2001520,5.3
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,5.0
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.4
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,7.0
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.2
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.3
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,6.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.2
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,7.5
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.4
+FC(F)(F)c1ccc(-c2nnc3ccc(NC4CCCCC4)nn23)cc1,CHEMBL2032368,7.96
+CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1,CHEMBL2037200,8.3
+N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1,CHEMBL2048872,10.77
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,5.8
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3(F)CCNCC3)nc12,CHEMBL2387462,10.8
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@@H]3CCNC[C@H]3F)nc12,CHEMBL2387479,10.96
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@H]3CCNC[C@@H]3F)nc12,CHEMBL2387478,10.6
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@H]3CCNC[C@H]3F)nc12,CHEMBL2387477,10.24
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@@H]3CCNC[C@@H]3F)nc12,CHEMBL2387476,10.13
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(OCC3CCNCC3)nc12,CHEMBL2387475,10.4
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(CCC3CCNCC3)nc12,CHEMBL2387474,10.82
+O=C(Nc1c[nH]c2ccc(-c3c(F)cccc3F)nc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387473,10.42
+O=C(Nc1c[nH]c2ccc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387472,10.21
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387470,10.44
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12,CHEMBL2387469,10.4
+N#Cc1ccc(Cc2cc(=O)n3ncc(C(=O)Nc4c[nH]c5ncccc45)c3[nH]2)cc1,CHEMBL2387468,10.28
+N#Cc1ccc(Cc2cc(=O)n3ncc(C(=O)Nc4ccc(F)cc4)c3[nH]2)cc1,CHEMBL2387467,8.96
+O=C(Nc1ccc(F)cc1)c1cnn2c(=O)cc(C3CCNCC3)[nH]c12,CHEMBL2387466,7.82
+Nc1ccc(-c2ccccc2C(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103865,8.52
+Nc1nccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)n1,CHEMBL3103863,9.0
+Nc1ccc(Oc2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103859,8.4
+Nc1cccnc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103858,7.74
+Nc1nccnc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103857,7.8
+NCC1CCCN(c2ccncc2NC(=O)c2nccnc2N)C1,CHEMBL3103880,7.96
+NCCC(=O)N1CCN(c2ccncc2NC(=O)c2nccnc2N)CC1,CHEMBL3103879,7.25
+NCC(=O)N1CCN(c2ccncc2NC(=O)c2nccnc2N)CC1,CHEMBL3103878,6.91
+Nc1nccnc1C(=O)Nc1cnccc1N1CCNCC1,CHEMBL3103877,6.09
+Nc1nccnc1C(=O)Nc1cnccc1N1CCCCC1,CHEMBL3103876,7.52
+CC(=O)Nc1nc(C(=O)Nc2cnc(N)cc2N2CCCCC2)cs1,CHEMBL3103875,6.0
+CC(=O)Nc1nc(C(=O)Nc2cnccc2N2CCCCC2)cs1,CHEMBL3103872,7.21
+CC(=O)Nc1nc(C(=O)Nc2ccncc2N2CCCCC2)cs1,CHEMBL3103871,7.23
+Nc1cccc(C(=O)Nc2ccccc2N2CCCCC2)n1,CHEMBL3103886,5.64
+O=C(Nc1ccccc1N1CCCCC1)c1ncccc1O,CHEMBL3103885,4.91
+Nc1cccnc1C(=O)Nc1ccccc1N1CCCCC1,CHEMBL3103884,5.48
+Nc1nccnc1C(=O)Nc1ccccc1N1CCCCC1,CHEMBL3103883,6.34
+CC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCCCC2)cs1,CHEMBL3103881,7.045
+O=C(Nc1ccccc1N1CCCCC1)c1cscn1,CHEMBL3103882,5.74
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@@H](F)[C@H](N)CCO1,CHEMBL3318854,11.0
+Cn1ncc(NC(=O)c2csc(-c3c(F)cc([C@H]4CCCO4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1,CHEMBL3318856,10.15
+c1cncc(-c2cc3c[nH]nc3cn2)c1,CHEMBL3634784,5.89
+O=C(Nc1cn[nH]c1)c1cccnc1,CHEMBL3634785,5.48
+Cc1[nH]nc2cnc(-c3cccnc3)cc12,CHEMBL3634786,6.7
+Cc1c[nH]c2cnc(-c3cccnc3)cc12,CHEMBL3634787,6.1
+Cc1[nH]nc2cnc(-c3cn[nH]c3)cc12,CHEMBL3634788,6.52
+Cc1[nH]nc2ccc(-c3cn[nH]c3)cc12,CHEMBL3634789,5.49
+c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)cc1,CHEMBL3634790,8.0
+c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1,CHEMBL3634791,8.0
+Cc1[nH]nc2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12,CHEMBL3634792,5.46
+N[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1,CHEMBL3634793,7.85
+Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12,CHEMBL3634777,8.47
+Cc1[nH]nc2cnc(-c3cncc(N4CCC(N)CC4)n3)cc12,CHEMBL3634778,8.22
+NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1,CHEMBL3634779,10.0
+NCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1,CHEMBL3634780,9.52
+c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1,CHEMBL3634781,10.4
+Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1,CHEMBL3634782,10.39
+Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)n1,CHEMBL3634783,11.0
+CCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O,CHEMBL3634769,10.82
+Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634770,10.44
+N#CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634771,10.66
+c1cc(-c2n[nH]c3cnc(-c4cnn(CC5CC5)c4)cc23)nc(N2CCNCC2)c1,CHEMBL3634772,10.68
+c1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1,CHEMBL3634773,8.74
+NC(=O)Cc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1,CHEMBL3634774,6.77
+NC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)nnc-2c[nH]1,CHEMBL3634775,8.7
+CN1C(=O)CN(c2cc3c(-c4cccc(N5CCNCC5)n4)nnc-3c[nH]2)C1=O,CHEMBL3634776,7.51
+c1cc(-c2n[nH]c3cnc(C4CCCO4)cc23)nc(N2CCNCC2)c1,CHEMBL3634762,8.07
+c1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1,CHEMBL3634763,8.4
+O=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1,CHEMBL3634764,7.89
+c1cc(-c2n[nH]c3cnc(N4CCOCC4)cc23)nc(N2CCNCC2)c1,CHEMBL3634765,8.48
+Cn1cc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)cn1,CHEMBL3634766,8.11
+Cn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634767,10.7
+Cn1cc(-c2cc3c(-c4cccc(C5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634768,9.66
+Cn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1,CHEMBL3634755,9.57
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634756,9.85
+Cn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634757,10.46
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634758,10.22
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)[nH]nc3cn2)cn1,CHEMBL3634759,9.41
+Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1,CHEMBL3634760,10.89
+CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634761,10.14
+Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1,CHEMBL3652000,8.3
+CNCC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3648656,10.32
+C[C@@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCN1,CHEMBL3648657,9.02
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC[C@H](N)C1,CHEMBL3648658,10.08
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC[C@@H](N)C1,CHEMBL3648659,10.04
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCNCC(F)(F)C3)c(N)s2)c1,CHEMBL3648660,10.72
+Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CCNCC(F)(F)C1,CHEMBL3648661,10.52
+CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)F)CC1,CHEMBL3648662,10.1
+CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2CC(F)F)CC1,CHEMBL3648663,9.37
+CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1,CHEMBL3648664,10.01
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC(O)CC1,CHEMBL3648665,9.78
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(CC(F)F)c3N3CCCC(O)CC3)c(N)s2)c1,CHEMBL3648666,10.1
+C[C@@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C,CHEMBL3648667,8.94
+CC[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C,CHEMBL3648668,10.18
+CC[C@@H]1CNCCN1/C(=N\C)C(C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N,CHEMBL3648669,9.32
+Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(C4CC4)c3F)sc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3648670,10.82
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@@H](N)CC3)c(N)s2)c1F,CHEMBL3648671,11.0
+C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCN1,CHEMBL3648672,9.06
+N=CC(NC(=O)c1nc(-c2cc(F)ccc2F)sc1N)/C(=N/CC(F)F)N1CCCC(O)CC1,CHEMBL3648673,9.53
+CN[C@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1,CHEMBL3648674,10.36
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)C[C@H](F)C1,CHEMBL3648677,9.8
+C[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C,CHEMBL3648678,9.8
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2)CC1,CHEMBL3648679,10.25
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1,CHEMBL3648680,10.4
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1,CHEMBL3648681,10.17
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)C[C@@H](F)C1,CHEMBL3648682,11.0
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](N)[C@@H](F)C1,CHEMBL3648683,9.83
+Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCC[C@@H](N)CC1,CHEMBL3648684,9.92
+CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N,CHEMBL3648687,10.15
+Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1,CHEMBL3648688,9.69
+C/N=C(/C(C=N)NC(=O)c1nc(-c2ccccc2F)sc1N)N1CC[C@@H](N)[C@H](F)CC1,CHEMBL3648689,9.62
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](C(F)(F)F)C1,CHEMBL3648690,9.57
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1,CHEMBL3648691,9.88
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1,CHEMBL3648692,9.795
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648693,11.0
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648695,10.7
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648696,10.52
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC(C)(O)C1,CHEMBL3648699,10.345
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)CC(F)C1,CHEMBL3648701,10.37
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(C(F)(F)F)C1,CHEMBL3648702,9.45
+Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648703,10.24
+Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648704,10.72
+Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1,CHEMBL3648705,9.25
+Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648706,10.57
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](F)[C@H](N)CC3)c(N)s2)c1,CHEMBL3648707,10.42
+Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1,CHEMBL3648708,9.6
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1,CHEMBL3648709,10.19
+Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1,CHEMBL3648710,9.73
+Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1,CHEMBL3648711,10.04
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1,CHEMBL3648712,10.04
+Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1,CHEMBL3648713,10.24
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](N)[C@H](F)CC3)c(N)s2)c1,CHEMBL3648714,9.83
+Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648715,10.49
+Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1,CHEMBL3648716,8.9
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648717,11.0
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648718,10.7
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](N)CC(F)(F)C3)c(N)s2)c1,CHEMBL3648720,10.82
+Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)c1,CHEMBL3648721,10.74
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648722,11.0
+CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N,CHEMBL3648724,9.94
+CN(C)[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1,CHEMBL3648725,10.59
+CN(C)[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1,CHEMBL3648726,10.18
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)CC(F)(F)C1,CHEMBL3648727,10.68
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)CC(F)(F)C1,CHEMBL3648728,10.64
+C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)(F)F)CCN1,CHEMBL3648729,8.68
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)(F)F)c1N1CCCCC(N)C1,CHEMBL3648730,9.72
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC2(CC2)C1,CHEMBL3648731,10.6
+COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N,CHEMBL3648732,10.215
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCCCC1=O,CHEMBL3648734,7.72
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCCC1=O,CHEMBL3648735,8.99
+COC1CCN(c2c(NC(=O)c3nc(-c4ccccn4)sc3N)cnn2C)CCC1N,CHEMBL3648736,9.08
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+Cn1ncc(NC(=O)c2nc(-c3cncc(C#N)c3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1,CHEMBL3648820,7.45
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+Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648823,10.85
+C=C1C[C@@H](N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1,CHEMBL3648825,10.33
+CC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1,CHEMBL3648826,10.92
+Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1,CHEMBL3648827,10.64
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](O)[C@H](O)CC1,CHEMBL3648830,9.8
+COC1(CN)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3648831,9.59
+Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC(N)CC(F)(F)C3)c(N)s2)cnn1C,CHEMBL3648833,10.59
+Cn1ncc(NC(=O)c2nc(-c3cccc(C#N)n3)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1,CHEMBL3648834,10.1
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+Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)cnn1C,CHEMBL3648836,10.74
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+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC2(CCO2)C1,CHEMBL3648840,9.6
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)(CN)CC1,CHEMBL3648841,10.48
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+COC1(C)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N,CHEMBL3648845,10.397
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]2OC(=O)N[C@@H]2CC1,CHEMBL3648846,10.24
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+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](O)[C@H](O)CC1,CHEMBL3648850,9.75
+CC[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@]1(CN)OC,CHEMBL3648852,10.38
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1C[C@H]2C[C@H](N)[C@@H](C1)O2,CHEMBL3648854,9.05
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)(CCO)CC1,CHEMBL3648855,10.42
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC2(CNC2)C1,CHEMBL3648857,9.89
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]2OC(=O)N[C@]2(C)CC1,CHEMBL3648858,10.08
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(CO)CC1,CHEMBL3648860,10.24
+CO[C@@H]1[C@H](N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2,CHEMBL3648861,10.72
+CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC2(CC2)[C@@H]1N,CHEMBL3648862,10.33
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@](C)(N)CC(F)(F)C1,CHEMBL3623162,8.3
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(F)C(C)(N)CC1,CHEMBL3648863,10.3
+COC1C(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2,CHEMBL3652032,10.8
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(F)(CN)CC1,CHEMBL3652033,10.315
+COC1(CN)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3652034,10.2
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@](C)(N)CC(F)(F)C1,CHEMBL3652035,10.59
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1,CHEMBL3652648,9.34
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OC1CCNCC1,CHEMBL3652631,8.71
+CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3652647,7.7
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1,CHEMBL3652625,9.61
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)CC1,CHEMBL3652626,10.57
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](N)CC1,CHEMBL3652640,9.43
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1,CHEMBL3652646,7.92
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)CC1,CHEMBL3652633,9.55
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1,CHEMBL3652627,9.94
+Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1N1CCC[C@@H](N)CC1,CHEMBL3652643,9.05
+CN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3652642,8.12
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1NCC1CCNCC1,CHEMBL3652622,8.34
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1,CHEMBL3652635,8.72
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OCC1CCNCC1,CHEMBL3652628,8.94
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652630,9.56
+CN[C@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3652645,10.02
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1,CHEMBL3652621,8.19
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1,CHEMBL3652644,7.98
+Cn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652634,6.86
+Cn1ncc(NC(=O)c2cncc(-c3ccccc3F)n2)c1N1CCC[C@H](N)CC1,CHEMBL3652641,7.66
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3652638,10.62
+Cn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1,CHEMBL3652620,7.8
+Cn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652632,7.41
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1OC1CCNCC1,CHEMBL3652629,8.36
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](CN)C1,CHEMBL3652637,9.3
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1,CHEMBL3652623,8.91
+Cn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1,CHEMBL3652624,9.12
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1,CHEMBL3652636,9.46
+Nc1ccc(-c2ccccc2F)nc1C(=O)Nc1cnccc1-c1ccncc1,CHEMBL3793440,8.1
+Nc1ccc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)cn1,CHEMBL3793600,8.4
+Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1-c1cccnc1N,CHEMBL3792552,7.55
+Nc1cncc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)n1,CHEMBL3792474,8.52
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)ccn1,CHEMBL3793927,8.7
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)ncn1,CHEMBL3793221,8.4
+Nc1nccc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)n1,CHEMBL3793267,8.22
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)nc(N)n1,CHEMBL3792905,7.77
diff --git a/chembl_200/CHEMBL2148.csv b/chembl_200/CHEMBL2148.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c8e9b6296fe1602c4c673693a518ace13ffb1898
--- /dev/null
+++ b/chembl_200/CHEMBL2148.csv
@@ -0,0 +1,371 @@
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,7.4
+O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL494221,5.64
+CCOc1ccccc1Oc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(=O)Nc1c(C)cccc1C,CHEMBL459044,7.13
+COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21,CHEMBL458333,6.77
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.7
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.2
+CCN(CC)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,CHEMBL1204012,6.4
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.0
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.3
+N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL1789941,8.49
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1,CHEMBL1765781,6.46
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.7
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.1
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,6.55
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.7
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.2
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.8
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.1
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.4
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,8.0
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,5.9
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.3
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.3
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.5
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.3
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,5.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.9
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.5
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.3
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.2
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,5.9
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,5.9
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.6
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.3
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.0
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,5.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.5
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.6
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.5
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.3
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,5.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.8
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,5.7
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.0
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,8.1
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.9
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.9
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,5.9
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,6.6
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.6
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,7.1
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,5.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.1
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,6.9
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,5.5
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.0
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.0
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.1
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.0
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.7
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.4
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.7
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.4
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,6.8
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,6.7
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.7
+CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL1969879,7.5
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.6
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.7
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.5
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.1
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.2
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.1
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.6
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,5.9
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.9
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.5
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.2
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.9
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,7.5
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.6
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.2
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.0
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.6
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.0
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.9
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.4
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,5.7
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.4
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.3
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.7
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.3
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.3
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,8.0
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.4
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,6.5
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.2
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.5
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.0
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,6.0
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.1
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,7.2
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,6.0
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.4
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.8
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.2
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.4
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.3
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,7.3
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.9
+CC(C)CC(NC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1)C(N)=O,CHEMBL1965469,5.3
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,5.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.6
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.7
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,5.6
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.4
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,6.9
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.5
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.9
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.4
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.9
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.0
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,6.1
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,5.8
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.4
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.3
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.5
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.8
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.3
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,5.5
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.8
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.7
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.8
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.1
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,6.5
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.2
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,5.9
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.3
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.7
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,7.2
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.3
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,8.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.1
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.5
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,8.3
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.3
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.0
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.3
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.8
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.7
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,6.8
+Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1,CHEMBL1966501,5.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.9
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.0
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,8.5
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.4
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.4
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.0
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.0
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,7.3
+Clc1cccc(Nc2nc(N3CCOCC3)nc(-n3cccn3)n2)c1,CHEMBL1940137,5.5
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.9
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.1
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.4
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.1
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.7
+CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL234085,8.3
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.1
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.1
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,9.2
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.5
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,5.9
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,5.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.5
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.6
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.0
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,5.7
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.8
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.6
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.2
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.8
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.2
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.5
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.8
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.2
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,6.6
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.7
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,6.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.4
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.3
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.2
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.1
+c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,CHEMBL2087875,8.19
+C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,CHEMBL2152297,9.05
+C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12,CHEMBL2152298,6.92
+C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,CHEMBL2152299,7.66
+N#CCC(=O)N1CCC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1,CHEMBL2152300,8.42
+c1ccc(CN2CCC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152301,6.89
+c1ccc(CN2CCC[C@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152302,6.66
+c1ccc(CN2CC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152303,6.89
+c1ccc(CN2CC(n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152304,6.7
+c1ccc(CN2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)cc1,CHEMBL2152305,7.48
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1,CHEMBL2159210,7.66
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1,CHEMBL2386636,8.11
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1,CHEMBL2386635,8.23
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C#N)CC1,CHEMBL2386633,6.55
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](NCC(F)(F)F)C1,CHEMBL2385096,7.28
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)(F)F)CC1,CHEMBL2386629,7.12
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1,CHEMBL2386653,6.96
+O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl,CHEMBL2387224,6.6
+CC1(n2nnc3cnc4[nH]ccc4c32)CCN(S(C)(=O)=O)CC1,CHEMBL2392493,6.43
+N#CCCN[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392480,6.91
+N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,CHEMBL2392500,7.62
+CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,CHEMBL2436945,7.43
+CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F,CHEMBL3039513,8.6
+CS(=O)(=O)N1CCC[C@H](Nc2nccnc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3357978,10.61
+CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3335689,10.98
+CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3335688,10.81
+CS(=O)(=O)N1CCC[C@H](Nc2ncncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3335693,10.73
+CN1CCN(c2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(C)(=O)=O)C3)n2)CC1,CHEMBL3335699,10.98
+CCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665133,10.01
+CC(C)(O)CNc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665195,10.7
+CC(C)CS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665136,9.23
+CC(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1,CHEMBL3665125,9.51
+CC(C)CS(=O)(=O)N1CCC[C@H](Nc2nccnc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665167,10.93
+CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3nc[nH]c3n2)C1,CHEMBL3665155,8.93
+CCC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665137,10.0
+COC(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1,CHEMBL3665124,9.79
+CN(C)CCNc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665211,10.79
+CCCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3cc[nH]c3n2)C1,CHEMBL3665159,9.28
+CS(=O)(=O)N1CCC[C@H](Nc2nc(Cl)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665190,10.58
+CC(C)(C)NS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665178,10.49
+CS(=O)(=O)N1CCCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1,CHEMBL3665151,10.71
+CS(=O)(=O)N1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1,CHEMBL3665218,9.71
+CN(C)c1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665186,10.55
+CS(=O)(=O)N1CCC[C@H](Nc2nc(Nc3ccncc3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665210,10.12
+CS(=O)(=O)N1CCCCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665131,10.3
+CC(=O)N1CCCC(Nc2nc(C)ccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665145,10.52
+C[C@H]1C[C@H](Nc2nc(N3CCN(C)CC3)ncc2-c2cnc3[nH]ccc3n2)CN(S(C)(=O)=O)C1,CHEMBL3665217,10.87
+CCCC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665138,9.44
+Cn1ccc2ncc(-c3cccnc3N[C@H]3CCCN(S(C)(=O)=O)C3)nc21,CHEMBL3665154,8.79
+CCOc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665191,10.79
+CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CC[C@H](O)C3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665205,10.67
+CSc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(C(=O)CC#N)C2)n1,CHEMBL3665194,9.37
+COC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665121,9.76
+CC(C)S(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665135,9.38
+CCCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1,CHEMBL3665160,8.99
+CC(C)CS(=O)(=O)N1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1,CHEMBL3665219,10.17
+CC(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665139,9.75
+CCCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3n[nH]cc3n2)C1,CHEMBL3665157,10.19
+CC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665120,10.6
+CC(=O)N1CCCCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665129,10.26
+CN(C)S(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665177,10.62
+CN(C)C1CCN(c2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(C)(=O)=O)C3)n2)CC1,CHEMBL3665203,10.89
+COC1CCN(c2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(C)(=O)=O)C3)n2)CC1,CHEMBL3665197,10.82
+CC(C)S(=O)(=O)N1CCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665132,9.4
+CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCS(=O)(=O)CC3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665196,10.6
+CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3n[nH]cc3n2)C1,CHEMBL3665156,9.9
+CSc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665185,10.63
+CC(=O)N1CCCC(Nc2ncccc2-c2cnc3nc[nH]c3n2)C1,CHEMBL3665170,8.63
+CC(C)S(=O)(=O)N1C[C@@H](C)C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665144,10.82
+CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCN(c4ccccn4)CC3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665208,10.49
+CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3n[nH]cc3n2)C1,CHEMBL3665158,9.83
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+CS(=O)(=O)N1CCC[C@H](Nc2nc(C#N)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665204,10.1
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+N#CCC1(N2CCC[C@H](Nc3ncccc3-c3cnc4[nH]ccc4n3)C2)COC1,CHEMBL3665220,10.3
+C[C@H]1C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CN(S(C)(=O)=O)C1,CHEMBL3665141,10.72
+COC(=O)N1CCCCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665130,10.6
+CCCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665134,9.56
+CS(=O)(=O)N1CCC[C@H](Nc2nc(NCCN)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665198,10.6
+COC(=O)N1CC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665127,9.95
+CN1CCC(Nc2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(C)(=O)=O)C3)n2)CC1,CHEMBL3665201,10.9
+CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3cc[nH]c3n2)C1,CHEMBL3665168,9.25
+CN(C)c1ncc(-c2cnc3[nH]cc(C#N)c3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665187,9.65
+CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]cc(C4CC4)c3n2)C1,CHEMBL3665173,10.97
+Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)c(NC2CCCN(S(=O)(=O)CC3CC3)C2)n1,CHEMBL3665153,10.76
+CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCC(CC(=O)O)CC3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665209,10.93
+CC(=O)N1CCCC(Nc2nc(C)ccc2-c2cnc3[nH]cc(Cl)c3n2)C1,CHEMBL3639640,10.45
+CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](Nc2nc(N3CCN(C)CC3)ncc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665215,10.79
+CN(C)[C@@H]1CCN(c2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(C)(=O)=O)C3)n2)C1,CHEMBL3665213,10.97
+Cc1ccc(-c2cnc3[nH]ccc3n2)c(NC2CCCN(S(=O)(=O)CC3CC3)C2)n1,CHEMBL3665149,10.7
+C[C@H]1C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CN(C2(CC#N)COC2)C1,CHEMBL3665221,10.02
+CC(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1,CHEMBL3665161,9.41
+CC(=O)N1CC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665126,10.49
+CC(C)CCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665143,9.55
+CCS(=O)(=O)N1CCCC(Nc2nc(C)ccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665148,10.59
+FC(F)(F)CN1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1,CHEMBL3665147,9.99
+COc1ncc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1,CHEMBL3665189,10.87
+Cc1ccc(C)c(-c2nn(C)cc2NC(=O)c2cnn3ccc(N)nc23)c1,CHEMBL2178803,8.54
+Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1,CHEMBL3670390,7.8
+Cc1nc(-c2ccccc2C)c(NC(=O)c2cnn3ccc(N)nc23)s1,CHEMBL3670391,7.91
+Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1,CHEMBL3670392,7.02
+Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1,CHEMBL3670393,8.77
+Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1,CHEMBL2178257,7.25
+Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1,CHEMBL3670394,7.6
+O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12,CHEMBL3670395,7.4
+O=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12,CHEMBL3670396,7.84
+Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2ccccc2C)n1,CHEMBL3670397,7.54
+O=C(Nc1ccncc1-c1cccc(F)c1)c1cnn2cccnc12,CHEMBL3667514,6.7
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2C)n1,CHEMBL3667508,6.82
+O=C(Nc1cn[nH]c1-n1cc(Cl)ccc1=O)c1cnn2cccnc12,CHEMBL3667520,5.39
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2Br)n1,CHEMBL3667511,6.85
+COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O,CHEMBL3667521,8.26
+CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667526,6.62
+COc1ncc(C#N)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12,CHEMBL3667518,7.28
+COc1ccc(C#N)cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667517,6.68
+COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667525,6.15
+COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667522,6.57
+COc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667524,6.16
+COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12,CHEMBL3639663,6.24
+COc1ccc(Cl)cc1-c1nn(CC(=O)N2CC=CCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667523,6.77
+COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12,CHEMBL3667519,7.89
+COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667529,6.11
+CCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667528,6.68
+COc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667516,5.82
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2Cl)n1,CHEMBL3667510,7.13
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(C#N)ccc2C)n1,CHEMBL3667509,6.99
+Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2Cl)n1,CHEMBL2178799,6.87
+O=C(Nc1ccnn1-c1ccccc1Cl)c1cnn2cccnc12,CHEMBL3667512,6.82
+COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO,CHEMBL3667515,7.74
+N#CC1CCN(c2[nH]ncc2NC(=O)c2cnn3cccnc23)CC1,CHEMBL3667527,6.41
diff --git a/chembl_200/CHEMBL216.csv b/chembl_200/CHEMBL216.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4b2f12db92d38af44d8a0bfe5805e38ea4354a87
--- /dev/null
+++ b/chembl_200/CHEMBL216.csv
@@ -0,0 +1,779 @@
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.99
+C1=C(c2cccnc2)C2CCN1CC2,CHEMBL64779,5.66
+OC1(c2nc3ccccc3s2)CN2CCC1CC2,CHEMBL358505,5.92
+C1=C(c2csc3ccccc23)C2CCN1CC2,CHEMBL359027,7.43
+OC1(c2cccnc2)CN2CCC1CC2,CHEMBL423746,4.83
+C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2,CHEMBL144580,6.28
+O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1,CHEMBL12980,10.29
+C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2,CHEMBL358493,5.42
+C1=C(c2nc3ccccc3s2)C2CCN1CC2,CHEMBL342958,6.77
+c1ccc2oc(C3CN4CCC3CC4)cc2c1,CHEMBL144693,7.24
+C1=C(c2ccco2)C2CCN1CC2,CHEMBL341476,6.52
+C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2,CHEMBL144435,6.44
+OC1(c2cc3ccccc3o2)CN2CCC1CC2,CHEMBL145301,6.09
+C1=C(c2coc3ccccc23)C2CCN1CC2,CHEMBL144385,7.47
+OC1(c2ccco2)CN2CCC1CC2,CHEMBL344568,4.52
+C1=C(c2ccccn2)C2CCN1CC2,CHEMBL144493,5.92
+C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2,CHEMBL343697,5.865
+OC1(c2ccccn2)CN2CCC1CC2,CHEMBL144247,5.0
+C1=C(c2cccs2)C2CCN1CC2,CHEMBL125764,6.54
+OC1(c2nc3ccccc3o2)CN2CCC1CC2,CHEMBL145533,5.74
+OC1(c2csc3ccccc23)CN2CCC1CC2,CHEMBL145081,6.09
+COc1ccccc1C1(O)CN2CCC1CC2,CHEMBL357404,5.13
+C1=C(c2cc3ccccc3o2)C2CCN1CC2,CHEMBL109405,8.02
+C1=C(c2nc3ccccc3o2)C2CCN1CC2,CHEMBL144751,7.0
+Oc1ccccc1C1=CN2CCC1CC2,CHEMBL144434,6.44
+C1=C(c2ccsc2)C2CCN1CC2,CHEMBL356321,6.15
+C1=C(c2ccc[se]2)C2CCN1CC2,CHEMBL144123,6.39
+C1=C(c2ccoc2)C2CCN1CC2,CHEMBL145488,5.82
+OC1(c2cccs2)CN2CCC1CC2,CHEMBL145608,4.94
+OC1(c2ccsc2)CN2CCC1CC2,CHEMBL343242,5.04
+COc1ccccc1C1=CN2CCC1CC2,CHEMBL357444,6.66
+c1coc(C2CN3CCC2CC3)c1,CHEMBL14580,6.27
+OC1(c2cc3ccccc3s2)CN2CCC1CC2,CHEMBL357200,5.96
+C1=C(c2cc3ccccc3s2)C2CCN1CC2,CHEMBL344327,7.09
+C[C@@H]1CCC2(CN3CCC2CC3)O1,CHEMBL39843,4.7
+C[C@H]1CC2(CO1)CN1CCC2CC1,CHEMBL38423,5.19
+C[C@@H]1CC2(CO1)CN1CCC2CC1,CHEMBL289894,5.2
+C1OCC2(CN3CCC2CC3)O1,CHEMBL290715,4.72
+CC1(C)OCC2(CN3CCC2CC3)O1,CHEMBL39922,5.03
+C[C@@H]1OCC2(CN3CCC2CC3)O1,CHEMBL291280,5.2
+C[C@H]1CCC2(CN3CCC2CC3)O1,CHEMBL287834,4.82
+C[C@H]1OCC2(CN3CCC2CC3)O1,CHEMBL38756,5.54
+COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,CHEMBL27673,7.19
+CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2,CHEMBL287868,10.06
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL335542,9.973
+CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL538793,8.4
+CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL544152,6.4
+COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL136027,5.7
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1,CHEMBL545077,7.3
+COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL553058,7.45
+COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43,CHEMBL501756,4.35
+CO/N=C(\C#N)[C@H]1CN2CCC1CC2,CHEMBL134641,6.64
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.8
+CCC(=O)OC1CC2CCCC1N2,CHEMBL310558,6.72
+CCC(=O)OC1CC2CCCC1N2C,CHEMBL440138,6.64
+CC(=O)OC1CC2CCCC1N2C,CHEMBL294273,5.64
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1,CHEMBL148404,7.85
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1,CHEMBL343659,7.44
+O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146464,8.59
+Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1,CHEMBL149486,8.46
+O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148328,6.33
+O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147653,8.62
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1,CHEMBL146249,7.21
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL147778,7.59
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1,CHEMBL146351,7.24
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1,CHEMBL343644,7.12
+O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL358193,8.05
+O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL145913,8.92
+O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147554,7.77
+O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL359197,6.18
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F,CHEMBL356181,8.6
+O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL146359,6.85
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1,CHEMBL343449,8.46
+Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1,CHEMBL356305,8.68
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL150219,7.66
+O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147105,7.82
+O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL346194,7.59
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL69678,8.82
+O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL345985,5.37
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL358726,8.85
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL422665,8.49
+COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL149484,8.36
+O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148129,6.7
+O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146291,7.15
+COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL148450,8.07
+O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL358289,6.77
+Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1,CHEMBL148310,5.92
+O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL149769,6.7
+NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146307,6.47
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL59836,7.72
+O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147611,8.6
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146567,9.06
+O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147695,7.14
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1,CHEMBL359220,7.06
+O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL147672,6.85
+O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL356505,8.28
+COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL130835,6.97
+COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL127273,7.7
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL311795,6.24
+CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,CHEMBL263555,5.41
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL312344,5.72
+CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,CHEMBL432170,5.22
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL443780,8.4
+CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL24369,6.53
+CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285440,7.39
+CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL284137,8.54
+CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285898,6.95
+CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL286008,8.72
+O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112955,6.92
+O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL2112957,7.85
+O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1,CHEMBL369062,7.11
+O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112961,6.82
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,CHEMBL1346,8.26
+O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112956,6.96
+O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1,CHEMBL177040,6.52
+O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112959,7.44
+O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112958,6.82
+CCO/C(O)=C1\CN2CCCC(C2)C1=O,CHEMBL306462,5.92
+O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL306903,7.64
+NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71799,7.26
+NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69402,7.68
+NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1,CHEMBL302720,6.13
+CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71933,6.85
+NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68584,8.52
+NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL69648,8.68
+NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL263040,6.85
+NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL71431,9.01
+NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1,CHEMBL302145,6.68
+NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69582,7.96
+NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL410890,8.18
+NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL66820,7.04
+CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69765,6.12
+O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL69383,6.51
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1,CHEMBL305531,8.68
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL66322,7.96
+O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL67873,6.85
+CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71483,7.43
+CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL443267,9.0
+CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL302809,8.82
+NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68384,8.89
+O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL69904,5.72
+O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL307554,6.2
+O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL67814,7.52
+O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL424416,7.85
+CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68609,8.33
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL66400,8.74
+CN1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL337131,8.92
+CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143468,9.64
+CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL142184,9.03
+CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143466,9.24
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL142538,8.8
+CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143469,8.93
+CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL341759,9.06
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL139887,8.72
+CN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL142126,9.21
+CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL336933,7.77
+CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL140789,8.3
+CN1CCC=C(c2nsnc2SCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL140746,7.85
+CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL139603,9.16
+CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL140985,8.12
+CN1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL141452,9.72
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL140142,8.82
+CN1CCC=C(c2nsnc2SCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL343055,7.7
+CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143434,9.49
+CN1CCC=C(c2nsnc2OCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL142766,8.31
+COc1ccc([S@@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2111540,6.862
+COc1ccc(S(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL73341,6.93
+CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL75448,8.1
+COc1ccc(S(=O)c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1,CHEMBL70464,7.64
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL312085,8.89
+CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL73661,7.07
+CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL72956,6.97
+COc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL307810,8.22
+COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL310912,8.22
+Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL72455,7.96
+COc1ccc(S(=O)c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL421304,7.28
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1,CHEMBL70531,7.11
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1,CHEMBL303443,5.32
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1,CHEMBL71088,7.24
+CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1,CHEMBL73145,6.7
+COc1ccc(S(=O)c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL431787,6.62
+CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1,CHEMBL73410,7.02
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1,CHEMBL308566,8.19
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL71147,8.55
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1,CHEMBL72551,7.375
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1,CHEMBL420008,8.04
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1,CHEMBL421113,7.59
+COc1ccc([S@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114066,6.6
+C=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2114068,9.17
+COc1ccc([S@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115126,6.87
+C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL70828,8.36
+COc1ccc([S@@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114064,6.95
+C=C(c1ccc([S@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2115128,8.67
+COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71124,9.28
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL69595,7.79
+COc1ccc([S@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115127,7.16
+COc1ccc([S@@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114067,6.98
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71971,7.14
+COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71531,7.51
+CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1,CHEMBL115078,6.12
+CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL20732,5.15
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278074,5.9
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21321,6.05
+CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL279453,7.71
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21716,5.83
+CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21509,5.02
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21328,4.31
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL22108,6.58
+CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL279520,4.55
+CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1,CHEMBL424214,4.53
+CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21937,4.57
+CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL283320,4.62
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL279225,4.66
+CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL280684,4.94
+CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL265256,8.625
+CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21508,4.73
+CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278129,4.92
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.79
+CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1,CHEMBL369575,5.36
+CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1,CHEMBL423831,7.28
+CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL167223,6.82
+CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL354523,6.65
+Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352966,5.79
+CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL354678,6.62
+CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL169594,5.45
+CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355392,5.72
+CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL169680,5.37
+CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL172234,5.27
+CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL168223,4.27
+CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355560,5.43
+Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL354841,6.25
+COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352404,5.43
+CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355455,5.98
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1,CHEMBL170221,6.8
+CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355851,4.31
+CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1,CHEMBL168707,6.46
+CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL171216,6.64
+CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL170088,6.61
+CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL352779,4.79
+CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,CHEMBL172233,6.22
+COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL167027,5.81
+CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1,CHEMBL168704,6.35
+C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL1493369,6.72
+CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1,CHEMBL353290,6.48
+CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL355769,6.06
+CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL169494,5.8
+CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352723,6.06
+CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1,CHEMBL171102,7.36
+CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL434684,7.46
+CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL169401,6.05
+CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL555992,6.7
+CCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL542240,6.2
+CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106219,6.44
+C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL420662,5.88
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL320465,5.69
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL318995,6.06
+CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104210,4.69
+C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104332,6.7
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21,CHEMBL104574,5.93
+CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105148,5.66
+CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106218,5.82
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3,CHEMBL106224,5.88
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL59898,5.88
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21,CHEMBL104804,5.6
+COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105945,5.93
+CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105160,5.51
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL326450,4.88
+CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107679,5.88
+CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106259,4.66
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3,CHEMBL280220,5.48
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3,CHEMBL105674,5.29
+CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107444,5.7
+C=C1N=C(c2c(C)[nH]c3ccc4c(c23)CN2CCc3cc(OC)ccc3C2O4)ON1,CHEMBL104803,5.12
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3,CHEMBL105122,5.75
+CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106505,5.88
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL104693,6.06
+CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL17045,6.51
+C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1,CHEMBL76897,8.96
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL40554,5.71
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,8.897
+Cc1cnc(N2CCc3ccccc3C2)cc1NCCO,CHEMBL168496,5.19
+OCCNc1ccnc(N2CCc3ccccc3C2)c1,CHEMBL299294,5.21
+Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2,CHEMBL169469,6.29
+Nc1cc(CO)nc(N2CCc3ccccc3C2)c1,CHEMBL354482,5.96
+CCc1cc(N)cc(N2CCc3ccccc3C2)n1,CHEMBL166935,5.6
+Cc1cc(N)cc(N2CCc3ccccc3C2)n1,CHEMBL166697,5.59
+Nc1ccnc(N2CCc3ccccc3C2)c1,CHEMBL166991,5.72
+CNc1ccnc(N2CCc3ccccc3C2)c1,CHEMBL166599,5.92
+Cc1cc(NCCO)cc(N2CCc3ccccc3C2)n1,CHEMBL170552,5.42
+Cc1cnc(N2CCc3ccccc3C2)cc1N,CHEMBL169695,6.06
+CN(C)c1ccnc(N2CCc3ccccc3C2)c1,CHEMBL167004,6.82
+Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL322251,6.46
+Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1,CHEMBL24083,6.26
+Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,CHEMBL278819,4.77
+Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1,CHEMBL25564,7.3
+Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O,CHEMBL281456,8.52
+CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL611476,7.08
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL56275,5.63
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL58824,5.59
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL57485,5.76
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL291562,5.27
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL55698,5.82
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL294663,5.49
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL430587,5.49
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL301670,6.37
+c1cnc(O[C@@H]2CN3CCC2C3)cn1,CHEMBL292574,5.425
+CCCCCCOc1nccnc1OC1CN2CCC1C2,CHEMBL300998,7.52
+CCCCCCSc1cncc(OC2CN3CCC2C3)n1,CHEMBL56106,7.66
+CCCCCCSc1nccnc1O[C@@H]1CN2CCC1C2,CHEMBL293345,7.12
+CCCCCCOc1nccnc1SC1CN2CCC1C2,CHEMBL54219,6.53
+CNC(=O)O[C@@H]1CN2CCC1C2,CHEMBL301826,4.59
+CCCCCCSc1nccnc1SC1CN2CCC1C2,CHEMBL297690,7.52
+CCCCCCOc1nccnc1O[C@H]1CN2CCC1C2,CHEMBL292222,6.16
+CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1,CHEMBL355475,6.42
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12,CHEMBL353311,6.87
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12,CHEMBL368990,6.07
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12,CHEMBL172646,5.81
+CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1,CHEMBL354934,6.22
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12,CHEMBL366640,6.35
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12,CHEMBL170205,6.37
+CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)N1,CHEMBL423438,5.87
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12,CHEMBL352618,6.65
+C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCN1,CHEMBL173950,6.24
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12,CHEMBL170922,6.24
+CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1,CHEMBL355193,6.45
+CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21,CHEMBL366819,6.4
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12,CHEMBL354636,7.42
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12,CHEMBL170977,6.75
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12,CHEMBL352596,6.38
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12,CHEMBL171520,6.33
+CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1,CHEMBL172969,6.26
+CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21,CHEMBL426032,6.47
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12,CHEMBL352756,6.52
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12,CHEMBL172272,6.51
+CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1,CHEMBL74305,5.98
+CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1,CHEMBL451542,6.07
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1,CHEMBL74736,6.87
+O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73017,7.2
+CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73501,6.24
+CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL75217,7.7
+O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL307628,5.51
+CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1,CHEMBL72506,6.04
+CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL72219,7.12
+CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1,CHEMBL308707,5.77
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL73234,7.12
+OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21,CHEMBL94772,5.69
+CC(=O)c1ccc(C2=CN3CCC2CC3)s1,CHEMBL94921,6.32
+COc1ccccc1C(O)C1=CN2CCC1CC2,CHEMBL96042,6.48
+c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2,CHEMBL273586,7.3
+O=Cc1ccc(C2=CN3CCC2CC3)s1,CHEMBL264747,6.0
+COc1ccccc1C(=O)C1=CN2CCC1CC2,CHEMBL93709,6.37
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL353140,7.23
+CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CHEMBL166385,7.15
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1,CHEMBL168145,7.17
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL168149,6.89
+CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CHEMBL355874,8.16
+CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1,CHEMBL423832,6.95
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,5.0
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.6
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,5.8
+O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL2368393,8.06
+O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL2368390,7.34
+C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)C=C/C1=C/c1ccc(-c2cccs2)n1[BH-](F)F,CHEMBL365702,7.16
+O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL2368391,7.26
+O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL2368392,8.05
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL405526,7.27
+CCN1/C(=C/C=C/C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CHEMBL1161713,6.87
+C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1,CHEMBL427145,7.17
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL182761,7.18
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL360988,5.8
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12,CHEMBL363895,6.1
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12,CHEMBL184843,6.38
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12,CHEMBL183903,6.91
+CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C,CHEMBL183331,6.09
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12,CHEMBL181447,6.75
+CCN1C(C/C=C2/[C@H]3CCCCC3=C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C,CHEMBL360154,6.19
+C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12,CHEMBL362864,6.35
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL220095,7.27
+O=C(CCCCCNC(=O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3cccs3)C=CC1=C2)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL198982,7.16
+CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21,CHEMBL269117,7.53
+CCN(CC)c1ccc([C+](c2ccc(N(CC)CC)cc2)c2ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)cc2S(=O)(=O)O)cc1,CHEMBL375340,6.72
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3350391,8.11
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,7.94
+CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085019,7.23
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085018,6.38
+NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085023,5.68
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085031,5.6
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3085030,6.36
+CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085029,6.34
+C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085028,6.89
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1,CHEMBL3085027,6.81
+CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C,CHEMBL3085033,7.73
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3085032,7.75
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL3085025,8.03
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3085024,7.3
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2093084,4.03
+C#CCOC(=O)C1=CCCN(C)C1,CHEMBL128365,5.91
+C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1,CHEMBL380759,5.71
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205654,7.7
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.39
+CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1,CHEMBL377241,6.59
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL214642,5.74
+O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212645,6.68
+CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212141,6.1
+O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214898,7.15
+O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215189,6.66
+O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL378772,7.19
+CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL213709,6.24
+CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL214342,6.57
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL438822,6.52
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214029,6.52
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215180,6.77
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL215894,6.34
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378859,6.59
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378872,7.03
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL211976,5.7
+COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL373888,6.1
+COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL218755,6.5
+COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL386983,6.4
+COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1,CHEMBL216928,6.7
+COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1,CHEMBL376295,7.0
+COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,CHEMBL219118,7.2
+CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL373515,8.46
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL222259,9.3
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376057,9.6
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL220393,9.02
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219786,9.93
+C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375851,8.63
+C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375969,9.53
+CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219825,9.04
+CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376255,8.83
+CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376870,9.46
+CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL385328,8.86
+CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375073,9.12
+C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL45454,8.96
+CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1,CHEMBL234252,6.66
+CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1,CHEMBL234440,8.74
+CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1,CHEMBL392186,7.44
+CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1,CHEMBL234258,7.74
+CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1,CHEMBL391977,7.72
+CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1,CHEMBL233202,6.85
+CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1,CHEMBL233201,7.28
+CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1,CHEMBL394255,7.07
+CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1,CHEMBL435353,7.24
+CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1,CHEMBL394137,8.23
+CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1,CHEMBL234439,7.92
+CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1,CHEMBL234438,7.74
+CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1,CHEMBL394254,7.68
+CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1,CHEMBL234257,7.51
+CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1,CHEMBL233200,6.42
+CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1,CHEMBL233199,6.27
+CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL233198,6.7
+CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1,CHEMBL234254,6.59
+Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL234253,6.66
+COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1,CHEMBL242345,7.7
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1,CHEMBL70860,7.97
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1,CHEMBL440491,7.98
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1,CHEMBL72408,8.01
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1,CHEMBL74352,7.39
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1,CHEMBL307234,7.22
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL422770,7.48
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1,CHEMBL72363,7.24
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1,CHEMBL73893,7.5
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1,CHEMBL72787,7.02
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1,CHEMBL70848,6.93
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1,CHEMBL74117,7.17
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1,CHEMBL305607,7.22
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1,CHEMBL73245,7.13
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL72494,7.43
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1,CHEMBL72957,7.83
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1,CHEMBL396845,5.16
+C[N+]1(CC#CCOC2=NOCC2)CCCCC1,CHEMBL239436,5.13
+C(#CCN1CCCCC1)COC1=NOCC1,CHEMBL239866,5.34
+O=C1CCON1CC#CCN1CCCCC1,CHEMBL398043,6.09
+C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1,CHEMBL239038,5.47
+Cc1cc(OCC#CC[N+]2(C)CCCC2)no1,CHEMBL238825,5.11
+O=C1CCON1CC#CCN1CCCC1,CHEMBL275104,6.04
+COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL246794,6.43
+CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2,CHEMBL252258,6.64
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,4.885
+C[C@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227429,4.13
+Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,CHEMBL1382,8.85
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C,CHEMBL271108,8.34
+CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257643,7.47
+CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257431,7.36
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,CHEMBL105457,4.96
+CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,CHEMBL550,5.14
+Cc1nccn1CC#CCOc1ccon1,CHEMBL1162116,7.04
+Cc1nccn1CC#CCN1CCCC1=O,CHEMBL77793,6.92
+C[N+](C)(C)CC#CCN1CCCC1=O,CHEMBL23957,4.69
+CO/N=C/C1=CCCN(C)C1,CHEMBL151938,5.25
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1=O,CHEMBL541424,4.03
+C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258907,5.23
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL258906,4.85
+C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1,CHEMBL258905,4.72
+C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1,CHEMBL259344,5.08
+C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1,CHEMBL259131,4.28
+C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1,CHEMBL402473,4.67
+C[C@@H]1O[C@H](C[N+](C)(C)C)CS1,CHEMBL320820,4.96
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.06
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21,CHEMBL478227,5.84
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21,CHEMBL478226,5.64
+CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021479,7.9
+CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C,CHEMBL2021478,8.2
+CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021477,7.34
+CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021476,7.65
+Cc1ccc(C[N+](C)(C)C)o1,CHEMBL92387,5.1
+Cc1ccc([C@@H]2CCC[N+]2(C)C)o1,CHEMBL551563,5.25
+Cc1ccc([C@H]2CCC[N+]2(C)C)o1,CHEMBL553434,4.86
+Cc1ccc(C2CCC[N+]2(C)C)o1,CHEMBL555475,5.13
+C[N+]1(C)CCC[C@H]1c1ccco1,CHEMBL553155,4.51
+C[N+]1(C)CCC[C@@H]1c1ccco1,CHEMBL527880,4.29
+C[N+]1(C)CCCC1c1ccco1,CHEMBL554532,5.28
+Cc1ccc([C@@H]2CCCN2C)o1,CHEMBL450463,4.44
+Cc1ccc([C@H]2CCCN2C)o1,CHEMBL461709,4.35
+Cc1ccc(C2CCCN2C)o1,CHEMBL513277,4.57
+CN1CCC[C@H]1c1ccco1,CHEMBL450729,4.36
+CN1CCC[C@@H]1c1ccco1,CHEMBL461502,4.11
+CN1CCCC1c1ccco1,CHEMBL460470,4.48
+Cc1ccc([C@H]2CCCN2)o1,CHEMBL461089,4.84
+Cc1ccc(C2CCCN2)o1,CHEMBL505086,4.42
+c1coc([C@@H]2CCCN2)c1,CHEMBL451335,4.2
+c1coc([C@H]2CCCN2)c1,CHEMBL461088,4.33
+CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1,CHEMBL540359,9.5
+CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C,CHEMBL451821,7.96
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL499519,6.31
+CN1CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL523518,7.045
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL554916,7.09
+C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL539373,7.665
+CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL496915,7.195
+CN1CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL493795,6.9
+C[N+](C)(C)C[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL557808,7.66
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2,CHEMBL524097,9.19
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,CHEMBL523299,9.8
+CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084662,9.3
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084658,8.8
+CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL3084650,10.0
+CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084679,9.0
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084643,8.9
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2103803,10.3
+O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL564057,10.1
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL551466,10.1
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1,CHEMBL556635,10.05
+CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL559251,7.72
+C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL564144,8.28
+CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1,CHEMBL540982,8.7
+C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12,CHEMBL563920,9.49
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1,CHEMBL556506,4.7
+CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL549599,6.01
+CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL558933,5.56
+CN(CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL559557,7.05
+CN(Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL551888,5.45
+CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL576663,7.45
+CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL583051,8.91
+CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571121,8.91
+CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571341,7.64
+CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569212,6.72
+CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569953,5.91
+CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL571123,7.37
+CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL576707,7.87
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL569729,7.63
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569760,8.68
+C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569307,9.16
+C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568870,8.04
+C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568775,7.32
+C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569089,6.48
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL583027,7.94
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL569712,8.18
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C,CHEMBL595265,4.61
+C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL595022,4.02
+C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL594803,4.17
+C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593685,4.7
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593620,4.42
+CC1(C)COC[C@@H](C[N+](C)(C)C)O1,CHEMBL594801,4.32
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,4.85
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.8
+CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1090432,5.85
+C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1090433,6.0
+C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12,CHEMBL1091774,8.24
+C[C@H](c1cccnc1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091777,4.55
+CC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091790,8.25
+C[C@@H](c1ncccc1F)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092377,5.66
+COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21,CHEMBL1088900,4.82
+CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1,CHEMBL1090197,4.77
+COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc21,CHEMBL1092597,5.43
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1,CHEMBL1092598,5.62
+Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1,CHEMBL1092599,5.44
+COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21,CHEMBL1092650,5.7
+C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1,CHEMBL1090527,5.46
+CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21,CHEMBL1087493,5.82
+COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1,CHEMBL1087367,5.6
+CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL550818,5.32
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2,CHEMBL3084413,9.42
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.0
+COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CHEMBL12089,6.13
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,9.88
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.59
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,5.78
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.54
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.36
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.2
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.56
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.58
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.2
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,CHEMBL1319362,7.49
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.15
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.11
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,CHEMBL53463,5.43
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,6.19
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.48
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,8.1
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,7.08
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,7.11
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.74
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,9.08
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.79
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.78
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.19
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.44
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.41
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.22
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.66
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.4
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,7.44
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,7.46
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.93
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,8.48
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,6.19
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.7
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.94
+CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL1909073,8.08
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.61
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.44
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.57
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.84
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21,CHEMBL1201024,9.49
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.46
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,6.02
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.71
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.94
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.72
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,6.74
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,CHEMBL1490,8.87
+CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,CHEMBL2107687,8.56
+CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,CHEMBL1200604,7.17
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.77
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,6.05
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.17
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.51
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.96
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.86
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.59
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,CHEMBL1910856,9.94
+CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1087089,5.54
+Fc1ccc(Cn2c([C@@H]3CCCNC3)nc3ccccc32)cc1,CHEMBL1935437,6.32
+CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1095819,5.55
+c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1,CHEMBL1935438,6.37
+CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,CHEMBL1094510,7.4
+Cc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1,CHEMBL1935444,6.03
+Fc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1,CHEMBL1935446,6.47
+Fc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1,CHEMBL1935445,6.64
+C=CCCCC[N@+]1(C)C2CCC1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2023764,9.92
+C1CCC(CN2C3CCC2CC3)CC1,CHEMBL2030625,5.26
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,5.1
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,5.49
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.03
+CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042554,7.45
+CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042553,8.9
+CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042552,8.34
+C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042551,4.8
+C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042407,5.42
+C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042406,7.79
+C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042405,9.3
+C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042404,9.1
+C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL2042403,4.58
+C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL2042402,5.17
+CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042400,4.81
+O=C(CCC1=[N+]2C(C=C1)Cc1ccc(-c3cccs3)n1[B-]2(F)F)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL2172285,8.06
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,CHEMBL845,7.22
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2206333,6.0
+CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,CHEMBL360055,5.07
+Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1,CHEMBL2206335,5.8
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,7.49
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.34
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.5
+COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC,CHEMBL2311547,4.57
+COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1,CHEMBL2312354,5.08
+COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1,CHEMBL2312353,5.61
+CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312352,5.28
+CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312350,5.1
+COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312349,5.21
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1,CHEMBL2312347,4.61
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC,CHEMBL2312346,4.6
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C,CHEMBL2312371,5.57
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1,CHEMBL2312370,6.48
+Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1,CHEMBL2312369,6.06
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1,CHEMBL2312368,6.29
+CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312367,6.47
+CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1,CHEMBL2312366,6.04
+COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312364,5.27
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312361,6.54
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1,CHEMBL2312358,7.7
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1,CHEMBL2312384,6.85
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1,CHEMBL2312383,6.43
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1,CHEMBL2312382,6.39
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1,CHEMBL2312379,4.93
+CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1,CHEMBL2312378,7.22
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1,CHEMBL2312377,6.7
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312376,5.86
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1,CHEMBL2312374,6.09
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1,CHEMBL2312373,6.62
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1,CHEMBL2312372,6.25
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1,CHEMBL2312392,7.0
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1,CHEMBL2312391,6.7
+CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1,CHEMBL2312389,5.48
+CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1,CHEMBL2312388,5.51
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1,CHEMBL2312387,6.33
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1,CHEMBL2312386,5.76
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1,CHEMBL1180343,6.77
+CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12,CHEMBL1187846,8.12
+CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1,CHEMBL2312344,6.68
+COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC,CHEMBL2311983,5.21
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N,CHEMBL12098,6.19
+Clc1cc(Cl)cc(N2CCNCC2)c1,CHEMBL2335158,5.1
+CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1,CHEMBL2377392,7.97
+CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1,CHEMBL2110892,6.43
+CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2106570,8.8
+COc1cc(Br)cc(C2Nc3c(c(C)nn3C)C(=O)CS2)c1,CHEMBL2377266,9.23
+CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1,CHEMBL2377267,8.88
+CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1,CHEMBL2377269,8.11
+CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1,CHEMBL1191560,6.78
+CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2377387,8.89
+CCN(CC)CCSC(C(=O)OCC=C(C)C)c1ccccc1,CHEMBL2377264,5.98
+C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377384,6.835
+CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C,CHEMBL2377261,6.01
+OC(CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2,CHEMBL3085495,8.63
+CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C,CHEMBL2377388,6.75
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,8.7
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,7.19
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,5.13
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,5.23
+CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,CHEMBL294951,8.7
+CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,CHEMBL2449003,9.57
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.375
+CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,CHEMBL3354065,6.5
+CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354066,7.11
+CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354067,8.17
+CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354068,9.04
+CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354069,8.99
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354070,7.96
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354071,7.35
+O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1,CHEMBL3354072,5.6
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,CHEMBL3354073,6.33
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,CHEMBL3354074,6.45
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1,CHEMBL3354075,6.55
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1,CHEMBL3354076,6.91
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1,CHEMBL3354077,6.73
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL3354078,7.53
+CC1OC2(CS1)CN1CCC2CC1,CHEMBL168815,5.31
+CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O,CHEMBL3577945,6.47
+O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1,CHEMBL3629360,9.8
+COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629529,4.97
+COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629530,5.92
+COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629533,5.44
+COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629534,6.17
+COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3627739,5.46
+COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC,CHEMBL3629536,5.29
+COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629537,5.54
+COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1,CHEMBL3629539,5.27
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(F)cc3)C2)n1C,CHEMBL3765754,5.5
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764557,6.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3765426,6.0
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C,CHEMBL3775589,6.0
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C,CHEMBL3775226,6.96
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1,CHEMBL3775197,6.2
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,CHEMBL3774411,5.76
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1,CHEMBL3774769,6.42
+Cn1c(SCCCN2CC3CCN(c4ccccc4)C3C2)nnc1C1CCOCC1,CHEMBL3774649,5.99
diff --git a/chembl_200/CHEMBL217.csv b/chembl_200/CHEMBL217.csv
new file mode 100644
index 0000000000000000000000000000000000000000..65c125d710586ccadb4689a04a44ac7bf7974ba2
--- /dev/null
+++ b/chembl_200/CHEMBL217.csv
@@ -0,0 +1,5012 @@
+O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL340211,7.28
+O[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339033,6.39
+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,6.55
+O[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339963,7.0
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,7.14
+O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,CHEMBL129263,5.48
+CCS(=O)(=O)Nc1cccc(N2CCN(CCCCN3C(=O)C4CCCN4C3=O)CC2)c1,CHEMBL1204203,7.66
+CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1,CHEMBL22778,5.42
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,7.41
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3,CHEMBL284586,7.08
+CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL281357,6.28
+Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL27940,6.7
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,7.71
+C=CCN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1,CHEMBL543473,6.2
+Oc1ccc2c(c1)C(c1ccccc1)CNCC2,CHEMBL543472,5.36
+Oc1cc2c(cc1Br)CCNCC2c1ccccc1,CHEMBL557799,5.24
+Oc1cc2c(cc1Cl)CCNCC2c1ccccc1,CHEMBL540857,5.86
+CN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1,CHEMBL545000,5.72
+O=C1CC2(CCN(Cc3ccccc3)CC2)OC=C1c1ccccc1,CHEMBL544533,5.84
+O=C1C=C(c2ccco2)OC2(CCN(CCc3ccccc3)CC2)C1,CHEMBL542647,5.12
+COc1ccc(C2=COC3(CCN(CCc4ccccc4)CC3)CC2=O)cc1,CHEMBL545697,5.83
+CN(C)CC1(C)CC(=O)C(c2ccccc2)=CO1,CHEMBL552858,5.39
+O=C1C=C(c2ccccc2)OC2(CCN(CCc3ccccc3)CC2)C1,CHEMBL539526,5.38
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1cccs1,CHEMBL543823,5.97
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1F,CHEMBL542400,5.63
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1,CHEMBL538755,5.69
+O=C1CC2(CCCN(Cc3ccccc3)C2)OC=C1c1ccc(F)cc1,CHEMBL553864,5.06
+O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,CHEMBL543344,7.33
+O=C1CC2(CCN(CCc3ccccc3)CC2)OCC1c1ccc(F)cc1,CHEMBL539007,5.82
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccc(F)cc1,CHEMBL543822,5.54
+CCCN1CCc2nn3ccccc3c2C1,CHEMBL80845,6.765
+c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL540039,4.952
+c1ccc(C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CS2)cc1,CHEMBL82527,5.97
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,7.68
+Oc1ccc2c(c1)CCN2,CHEMBL19331,5.03
+OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2303762,4.94
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1,CHEMBL80919,9.22
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1,CHEMBL78791,8.47
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCCC1,CHEMBL309979,8.13
+Cc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1,CHEMBL311575,7.78
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1)c1cccs1,CHEMBL309459,7.47
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1,CHEMBL430439,8.35
+Cc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL309336,7.94
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1)C1CCCCC1,CHEMBL310401,7.43
+CCCN(C(=O)C1CCCCC1)[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL78860,6.74
+O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1,CHEMBL78655,7.74
+O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1,CHEMBL311772,7.4
+Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)s1,CHEMBL76908,8.0
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1)C1CCCCC1,CHEMBL310680,7.09
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccsc1,CHEMBL309727,8.3
+Cc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1,CHEMBL80875,8.2
+Cc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCCCC4)CC3)CC2)cc1C,CHEMBL80615,8.25
+CN(C(=O)c1cccs1)[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL80315,7.78
+Cc1csc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)c1,CHEMBL312752,7.72
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1,CHEMBL309623,7.42
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1)C1CCCCC1,CHEMBL310204,7.82
+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL78916,8.0
+O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1,CHEMBL80571,7.0
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccn3)CC2)CC1)c1cccs1,CHEMBL78406,7.15
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccco1,CHEMBL312430,8.52
+O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1,CHEMBL310158,7.38
+COc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1,CHEMBL310577,7.92
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccs1,CHEMBL78800,9.0
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCC1,CHEMBL78617,8.77
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCCCC1,CHEMBL78195,7.92
+COc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1,CHEMBL312803,6.75
+Cc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1,CHEMBL309501,8.3
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL77411,6.47
+COc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1,CHEMBL78950,8.85
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1)c1cccs1,CHEMBL78368,8.19
+c1ccc2c(c1)CCN(Cc1cc3cccnc3[nH]1)C2,CHEMBL156896,6.22
+c1ccc(CCC2CCN(Cc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL156732,6.7
+COc1ccc(N2CCN(CCc3c[nH]c4ncccc34)CC2)cc1,CHEMBL347291,6.05
+C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112913,6.55
+Clc1ccc(N2CCN(CCc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL347155,6.1
+c1ccc2c(c1)CCN(Cc1c[nH]c3ncccc13)C2,CHEMBL154286,6.19
+C1=C(/C=C/c2ccccc2)CCN(CCc2cc3cccnc3[nH]2)C1,CHEMBL154482,5.89
+C1=C(c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112912,7.68
+c1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL155207,5.96
+OC(COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL32402,6.04
+O[C@@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL31991,6.61
+O[C@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL282323,6.15
+OC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,CHEMBL418758,5.84
+OC(COc1cccc2ccccc12)CN1CCC(Oc2ccccc2)CC1,CHEMBL286177,5.63
+Oc1ccccc1OCCNCc1ccccc1,CHEMBL101285,6.34
+CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1,CHEMBL99849,7.42
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2,CHEMBL300571,8.14
+Oc1cccc(OCCNCc2ccccc2)c1,CHEMBL64508,7.12
+CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl,CHEMBL102490,8.05
+CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1Cl,CHEMBL99913,7.12
+N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2,CHEMBL2112936,5.49
+Clc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1,CHEMBL84819,5.85
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL313620,8.06
+COc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL312877,6.53
+Clc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL87260,6.06
+CCCSc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL87478,8.1
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL85441,6.39
+c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1,CHEMBL85972,6.57
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1,CHEMBL314983,7.15
+Clc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL88058,6.9
+CN(C)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(C)C)cc3)nc3ccccc32)cc1,CHEMBL87625,5.3
+C(=C/Cn1c(-c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2)nc2ccccc21,CHEMBL83722,5.4
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL316222,5.63
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2CCCCCCn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL313257,5.76
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1,CHEMBL315560,5.85
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)nc3ccccc32)cc1,CHEMBL86249,6.1
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c(-c4ccc(OCCCN(CC)CC)cc4)nc4ccccc43)cc2)cc1,CHEMBL313692,5.46
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccccc3)nc3ccccc32)cc1,CHEMBL430242,5.19
+CCCCN(CCCC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CCCC)CCCC)cc3)nc3ccccc32)cc1,CHEMBL87716,6.33
+C(=C/Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc21,CHEMBL314663,7.25
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2CCCCn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL313147,5.83
+C(=C/Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc21,CHEMBL86129,6.29
+CCCN(CCC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CCC)CCC)cc3)nc3ccccc32)cc1,CHEMBL315137,6.46
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C\Cn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL314937,5.82
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCC4CCCCC4)cc3)nc3ccccc32)cc1,CHEMBL316014,5.99
+C1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1,CHEMBL70267,6.62
+C1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1,CHEMBL71173,5.85
+Clc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1,CHEMBL305481,6.17
+Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4s3)CC2)cc1,CHEMBL70215,5.7
+Clc1ccc(CN2CC=C(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1,CHEMBL71216,6.48
+Clc1cccc(CN2CC=C(c3nc4ccccc4s3)CC2)c1,CHEMBL307869,6.47
+Clc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1,CHEMBL71324,6.23
+C1=C(c2nc3ccccc3s2)CCN(Cc2ccccc2)C1,CHEMBL69355,6.22
+c1ccc(OC[C@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL165504,7.3
+Fc1ccc(OC[C@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL163009,7.17
+Fc1ccc(OC[C@@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL349699,6.01
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccc4)CCN3C2)cc1,CHEMBL351611,7.36
+CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL349904,5.76
+CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL161899,6.02
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccn4)CCN3C2)cc1,CHEMBL350160,6.73
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL166269,5.94
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL159903,5.92
+Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL162873,6.71
+COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL165113,6.6
+c1ccc(OCC2CCC3CN(c4ncccn4)CCN3C2)cc1,CHEMBL162265,6.73
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(Cl)cn4)CCN3C2)cc1,CHEMBL161982,5.73
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CCN3C2)cc1,CHEMBL166321,6.69
+COc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL351098,6.04
+CC1NCCc2cc(O)c(O)cc21,CHEMBL416732,5.27
+CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1,CHEMBL19844,5.72
+Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1,CHEMBL19344,5.41
+Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O,CHEMBL19068,5.47
+c1ccc(N2CCN(CCCCCNC3=Nc4ccccc4OC3)CC2)cc1,CHEMBL541826,7.03
+N#Cc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CC2,CHEMBL305392,8.0
+CC(=O)Nc1ccc(CN2C[C@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1,CHEMBL413275,7.5
+N#Cc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21,CHEMBL292485,6.3
+c1ccc(CN2CC3COc4ccccc4C3C2)cc1,CHEMBL304856,6.5
+N#Cc1ccc2c(c1)C1CN(Cc3ccc(F)cc3)CC1CO2,CHEMBL64721,7.1
+N#Cc1ccc2c(c1)[C@@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CO2,CHEMBL66080,7.3
+CC(=O)Nc1ccc(CN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL65071,7.6
+N#Cc1ccc2c(c1)[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1CO2,CHEMBL65122,7.4
+Fc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL303979,7.6
+CS(=O)(=O)Nc1ccc(CCN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL443006,7.6
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccc(N)cc4)cc3)C[C@@H]1CO2,CHEMBL2112210,7.7
+N#Cc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@@H]1CO2,CHEMBL293159,7.7
+CCCN1CC2COc3ccc(C#N)cc3C2C1,CHEMBL436157,6.9
+Clc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL291417,7.5
+COc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21,CHEMBL59662,6.6
+N#Cc1ccc2c(c1)[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1CO2,CHEMBL64157,7.6
+N#Cc1ccc2c(c1)C1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)CC1CO2,CHEMBL277790,7.1
+CC(=O)Nc1ccc(CCN2C[C@@H]3c4cc(C#N)ccc4OC[C@H]3C2)cc1,CHEMBL418671,7.5
+COc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL294275,6.7
+CC(=O)Nc1ccc(CCN2C[C@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1,CHEMBL62823,7.4
+N#Cc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)C[C@H]1CO2,CHEMBL294515,7.5
+CC(=O)Nc1ccc(CN2C[C@@H]3c4cc(C#N)ccc4OC[C@H]3C2)cc1,CHEMBL62416,7.9
+CC(=O)Nc1ccc(CCN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL61565,7.4
+CC(=O)c1ccc(C(=O)Nc2ccc(CCN3CC4COc5ccc(C#N)cc5C4C3)cc2)cc1,CHEMBL434403,7.7
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2,CHEMBL65280,7.5
+COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,CHEMBL122533,9.6
+COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,CHEMBL131926,8.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1,CHEMBL73665,7.7
+COc1ccc(OC)c(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c1,CHEMBL70866,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,CHEMBL71960,7.4
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL71894,6.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,CHEMBL294747,7.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1,CHEMBL423671,7.6
+CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL161811,6.26
+CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL349843,5.59
+CCCN[C@@H]1CCc2c(C(=O)OC)cccc2[C@@H]1C,CHEMBL161507,5.63
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,6.5
+CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1,CHEMBL65847,6.565
+CCCN[C@@H]1CCc2c(cccc2OC)C1,CHEMBL71275,7.01
+CCCN(Cc1cccs1)[C@@H]1CCc2c(cccc2OC)C1,CHEMBL69706,6.645
+CCCN(Cc1ccc(OC)cc1)[C@@H]1CCc2c(cccc2OC)C1,CHEMBL67923,7.425
+CCCN(Cc1ccco1)[C@@H]1CCc2c(cccc2OC)C1,CHEMBL303502,6.915
+CCCN(Cc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1,CHEMBL68545,7.15
+CCCN(Cc1ccc(F)cc1)[C@@H]1CCc2c(cccc2OC)C1,CHEMBL71599,7.26
+COc1cccc2c1CC[C@@H](NCc1ccccc1)C2,CHEMBL65896,5.94
+CCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,CHEMBL38580,7.32
+CCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,CHEMBL39847,6.4
+CCCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL41200,5.96
+CCCN(CCC)C1COc2c(O)cccc2C1,CHEMBL38428,6.89
+CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,CHEMBL43073,6.12
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,CHEMBL38656,5.87
+CCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,CHEMBL41134,6.23
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.88
+CCCN(CCc1ccc(C)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL1159663,6.77
+CCCN(CCc1ccc(C)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2092940,8.17
+CCCN(CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL606939,7.22
+CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1,CHEMBL324017,5.87
+CCCN(CCc1ccc(N)cc1)C1CCc2c(O)cccc2C1,CHEMBL111532,8.17
+CN1CCc2cc(Br)c(O)cc2C(c2ccc(N)cc2)C1,CHEMBL321042,5.8
+CN1CCc2cc(Br)c(O)cc2C(c2ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc2)C1,CHEMBL322760,6.15
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL113196,9.52
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL113527,8.49
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL109897,8.32
+CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)C1CCc2c(O)cccc2C1,CHEMBL109787,9.35
+O=C(CCCN1CCC2(CC1)C(=O)N(CCc1ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL92649,9.18
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)C1CCc2c(O)cccc2C1,CHEMBL320526,8.15
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,CHEMBL419505,6.58
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.42
+CN1CCC2(CC1)OC=C(c1ccc(F)cc1)C2=O,CHEMBL555900,5.59
+O=C1C(c2ccccc2)=COC12CCN(CCc1ccsc1)CC2,CHEMBL556831,6.82
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL542395,5.62
+O=C1C(c2ccc3ccccc3c2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL543343,5.5
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)C2,CHEMBL542877,4.7
+O=C1C(c2ccc(F)cc2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL545693,6.66
+O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,CHEMBL553784,5.27
+CN(C)CCC1(c2ccccc2)OC=C(c2ccccc2)C1=O,CHEMBL545454,5.57
+O=C1C(c2ccccc2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL553372,6.26
+O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,CHEMBL542398,6.02
+COc1ccc(C2=COC3(CCN(CCc4ccccc4)CC3)C2=O)cc1,CHEMBL556035,5.68
+O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,CHEMBL554415,5.85
+C#CCN1CCC2(CC1)OC=C(c1ccccc1)C2=O,CHEMBL553666,4.62
+O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL545695,5.78
+O=C(CCCN1CCCC2(C1)OC(c1ccccc1)=CC2=O)c1ccc(F)cc1,CHEMBL539521,6.82
+CN(C)CCC1(c2ccccc2)OC=CC1=O,CHEMBL540033,5.0
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)CC2,CHEMBL552687,5.63
+COc1ccc(C2=CC(=O)C3(CCN(CCc4ccccc4)CC3)O2)cc1,CHEMBL543591,5.08
+CN1CCC2(CC1)OC(c1ccccc1)=CC2=O,CHEMBL556133,5.54
+O=C(CCCN1CCC2(CC1)OC=C(c1ccccc1)C2=O)c1ccc(F)cc1,CHEMBL540799,7.15
+O=C1C(c2ccccc2)=COC12CCN(Cc1cccc(Cl)c1)CC2,CHEMBL538248,5.68
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccco1)CC2,CHEMBL559021,5.12
+CN1C2CCC1CC1(C2)OC=C(c2ccccc2)C1=O,CHEMBL541055,5.0
+CCN(CC)CCC1(C)OC=C(c2ccccc2)C1=O,CHEMBL540538,5.0
+Cc1cc(CN2CCC3(CC2)OC=C(c2ccccc2)C3=O)on1,CHEMBL553082,4.49
+O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,CHEMBL544996,6.19
+O=C1C(c2ccccc2)=COC12CCNCC2,CHEMBL541817,5.0
+C=CCN1CCC2(CC1)OC=C(c1ccccc1)C2=O,CHEMBL555614,5.31
+O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,CHEMBL545222,5.14
+COc1ccc2c(c1)CCC(C1CCN(CCc3ccccc3)CC1)C2=O,CHEMBL330865,6.66
+O=C1c2ccccc2CCC1C1CCN(CC2CC2)CC1,CHEMBL543176,5.97
+O=C1c2ccc(F)cc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL331470,6.46
+O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,CHEMBL543412,5.79
+O=C1c2ccccc2CCC1C1CCN(Cc2ccccc2)CC1,CHEMBL544594,6.0
+O=C(CCCN1CCC2(CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL553311,7.6
+COc1ccc2c(c1)CCC(C1CCN(Cc3ccccc3)CC1)C2=O,CHEMBL123014,6.27
+c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,CHEMBL303336,6.19
+O=C1c2ccc(Cl)cc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL545058,6.9
+O=C1c2ccccc2CCC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL545285,5.94
+CC(C1CC1)N1CCC(C2CCc3ccccc3C2=O)CC1,CHEMBL542217,6.11
+O=C1c2ccccc2CCC1C1CCN(Cc2ccc(F)cc2)CC1,CHEMBL545287,7.21
+O=C1c2ccccc2CCC12CCN(CC1CCCCC1)CC2,CHEMBL554437,5.93
+O=C1c2ccccc2CCC1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL552572,6.24
+O=C1c2ccc(F)cc2CCC1C1CCN(Cc2ccccc2)CC1,CHEMBL122538,7.21
+COc1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1,CHEMBL542709,5.85
+Cc1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1,CHEMBL124234,7.43
+O=C1c2ccccc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL539288,6.22
+O=C1c2ccccc2CCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2,CHEMBL544123,5.71
+CC(C)(C)c1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1,CHEMBL124411,6.39
+O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2,CHEMBL554874,5.46
+CC(C)(C)c1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1,CHEMBL542462,6.41
+O=C1c2cccc(F)c2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL543889,6.69
+O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL554873,5.66
+CCCN(CCC)[C@@H]1Cc2cccc3ccc(=O)n(c23)C1,CHEMBL24978,8.46
+C=CCN1CC[C@@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL566133,7.23
+CCCN1CCC2Cc3c(O)cccc3CC21,CHEMBL2114337,7.96
+C=CCN1CCC2c3cccc(OC)c3CC[C@H]21,CHEMBL10570,7.11
+C=CCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL278285,8.85
+C=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL287134,6.82
+C=CCN1CC[C@H]2c3cccc(O)c3CC[C@H]21,CHEMBL285873,7.045
+CCCN1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21,CHEMBL11388,7.08
+C=CCN1CCC2c3cccc(OC)c3CC[C@@H]21,CHEMBL276825,7.3
+CCCN1CC[C@H]2Cc3c(O)cccc3C[C@H]21,CHEMBL281614,6.04
+CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4c3C(=CC4)C[C@H]2N(C)C1,CHEMBL285341,9.1
+CCCN1[C@@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@@H]21,CHEMBL11386,6.33
+CCCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL25359,8.62
+CCCN1CCC2c3cccc(O)c3CCC21,CHEMBL10207,6.845
+Cc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@H](NC(=O)C(C)(C)C)CN1C,CHEMBL25013,8.51
+Oc1cccc2c1CC[C@@H]1NCCC[C@@H]21,CHEMBL56519,7.96
+C=CCN1CC[C@H]2Cc3c(O)cccc3C[C@H]21,CHEMBL24050,6.63
+CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(c23)C1,CHEMBL281248,9.22
+CCCN(CCC)[C@@H]1Cc2cccc3c2N(C1)C(=O)NC3,CHEMBL24110,7.24
+CCCN1CCC2Cc3c(cccc3OC)C[C@H]21,CHEMBL278091,7.0
+CN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21,CHEMBL25074,8.44
+C=CCN1CCC2c3c(cccc3OC)CCC21,CHEMBL273412,8.07
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL63449,6.37
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL65274,7.77
+NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL291143,5.81
+CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL28338,6.15
+CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL544814,5.4
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)nc1,CHEMBL355371,7.92
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165679,8.28
+Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1,CHEMBL1204116,6.885
+Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1,CHEMBL1202208,7.21
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,7.33
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL286725,6.33
+COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL357448,5.52
+COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL93403,5.72
+Fc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL349034,8.07
+COc1ccccc1N1CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)CC1,CHEMBL164792,8.52
+COC[C@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91122,5.52
+CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL330303,6.73
+CCN(C)CCc1c(-c2cccs2)[nH]c2ccccc12,CHEMBL92416,7.11
+CCN(C)CCc1c(-c2ccccc2F)[nH]c2ccccc12,CHEMBL91197,6.82
+CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL90911,7.77
+CCN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91549,7.07
+CCN(C)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL328459,7.77
+CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12,CHEMBL90837,7.41
+CCN(C)CCc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12,CHEMBL91542,9.38
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCCCC2)cc1,CHEMBL91205,6.05
+COC[C@@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91446,7.04
+C[C@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90739,6.54
+CCN(C)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL91463,6.6
+CCN(C)CCc1c(-c2cccc(F)c2)[nH]c2ccccc12,CHEMBL328595,7.17
+C[C@@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90263,7.68
+COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,CHEMBL74355,5.83
+N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL2113718,5.545
+C(#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1)c1ccccc1,CHEMBL58662,6.19
+c1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1,CHEMBL294394,5.515
+C#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL57176,6.175
+c1ccc(-c2c[nH]c(CN3CCN(c4ccccc4)CC3)c2)cc1,CHEMBL60815,6.705
+Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7927,5.475
+N#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL56118,5.265
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1,CHEMBL496687,5.85
+c1ccc(-c2[nH]c3ccccc3c2C2CNCCO2)cc1,CHEMBL40284,5.8
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1,CHEMBL497054,5.8
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2C2CCCNC2)cc1,CHEMBL296512,7.55
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1,CHEMBL496860,6.3
+c1ccc(CCN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL44310,6.3
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1,CHEMBL523245,6.05
+c1ccc(CCN2[C@H]3CC[C@@H]2CC(c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1,CHEMBL2113667,6.0
+c1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1,CHEMBL40584,6.46
+CN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL43819,7.55
+c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL46523,5.8
+CNc1cc(OC)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL111749,7.795
+CNc1cc(OC)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL326454,8.572000000000001
+COc1c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL113471,5.642
+CNc1cc(OC)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl,CHEMBL447476,6.735
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL298875,6.818
+COc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL325818,6.13
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,CHEMBL325109,7.83
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(C#Cc2ccccc2)c2ccccc12,CHEMBL109472,5.24
+CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl,CHEMBL112395,7.72
+COc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc(Br)c2ccccc12,CHEMBL321492,6.72
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL92489,6.11
+O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2,CHEMBL314095,5.56
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3,CHEMBL329126,5.93
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,CHEMBL89921,5.93
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3,CHEMBL90569,5.26
+COc1ccc2c3c(c(=O)oc2c1OC)CN(Cc1ccccc1)CC3,CHEMBL330100,6.18
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL328054,6.36
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3,CHEMBL91938,5.43
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1,CHEMBL58296,6.8
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1,CHEMBL61080,6.62
+Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1,CHEMBL6416,6.28
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(CCc2ccccc2)CC1,CHEMBL61079,6.54
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1,CHEMBL61195,6.89
+Cc1c(-c2ccccc2)nnn1C1CCN(Cc2ccccc2)CC1,CHEMBL284346,5.8
+Cc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1,CHEMBL279247,8.21
+c1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1,CHEMBL25938,7.18
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2ccccc2)CC1,CHEMBL25772,6.85
+Cc1cc(-c2ccccc2)n(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL24809,6.51
+Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL25887,5.92
+Cc1c(-c2ccccc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL281195,7.05
+c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1,CHEMBL23537,6.29
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL24051,6.43
+c1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1,CHEMBL24170,6.34
+c1ccc(CN2CCC(n3nnc(-c4ccccc4)n3)CC2)cc1,CHEMBL24539,5.96
+Cc1nn(C2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1,CHEMBL287412,7.82
+c1ccc(CN2CCC(n3cnc(-c4ccccc4)c3)CC2)cc1,CHEMBL287217,6.35
+Cc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1,CHEMBL26120,7.82
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL150181,5.63
+COc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL149497,5.95
+Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL149596,6.24
+O=C1COc2ccc(CN3CCN(c4ccccc4)CC3)cc2N1,CHEMBL147130,5.66
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL151286,6.54
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL147059,6.21
+Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL346398,7.28
+COc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL348435,5.25
+O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1,CHEMBL149233,6.89
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL151533,6.46
+COc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL146757,6.16
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL345552,6.31
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL150173,5.53
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.38
+CC1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL269396,5.85
+C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL90654,6.19
+CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL91350,6.17
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL94067,6.215
+C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL89719,6.14
+CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL7430,6.25
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,5.6
+C=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL327713,6.6
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,5.96
+Cc1c(-c2ccc(F)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL92189,6.54
+O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91621,7.07
+O=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91272,6.72
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL93832,5.89
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1,CHEMBL91229,6.66
+Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O,CHEMBL91669,7.96
+Cc1c(-c2cccc(Cl)c2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94283,7.14
+Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL328739,7.82
+Cc1c(-c2ccccn2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91553,6.57
+Cc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1,CHEMBL92859,7.02
+COc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1,CHEMBL91155,6.05
+Cc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL91821,6.55
+CCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91498,7.59
+Cc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL90005,8.11
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1,CHEMBL316125,7.08
+Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94023,6.77
+COc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL450021,6.96
+O=C(Nc1nccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL328667,6.82
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91162,7.25
+Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL93432,8.06
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1,CHEMBL327176,6.48
+O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1,CHEMBL93958,7.09
+Cc1c(-c2ccccc2Cl)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL89971,7.42
+Cc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL263162,7.28
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL93969,7.22
+Nc1cccc(-c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2)n1,CHEMBL87187,7.96
+Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL131484,5.88
+Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl,CHEMBL131997,6.52
+COc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128276,5.71
+c1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL129931,6.28
+Cc1ccccc1OCCNCCCOc1ccccc1,CHEMBL128313,7.7
+Cc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128647,6.57
+Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL129757,6.61
+Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,CHEMBL341225,5.24
+Cc1ccc(SCCNCCCOc2ccccc2)cc1,CHEMBL128281,6.65
+Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1,CHEMBL131357,6.41
+Clc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132884,6.64
+Cc1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL131299,7.19
+Clc1cccc(OCCNCCCOc2ccccc2)c1,CHEMBL129534,7.66
+Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1,CHEMBL130370,6.56
+Clc1ccc(SCCNCCCOc2ccccc2)cc1,CHEMBL130347,6.45
+Cc1ccc(OCCNCCCOc2ccccc2)cc1C,CHEMBL129927,6.84
+Cc1cccc(OCCNCCCOc2ccccc2)c1,CHEMBL128232,7.21
+Cc1ccc(OCCNCCCOc2ccccc2C)cc1,CHEMBL334545,6.53
+O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132455,5.85
+Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1,CHEMBL435598,6.53
+Oc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL22892,6.25
+Cc1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL334989,6.44
+Clc1ccccc1OCCNCCCOc1ccccc1,CHEMBL131396,6.95
+Clc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL337627,6.64
+c1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL128524,6.6
+Cc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL130402,6.93
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,5.8
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,6.68
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,6.12
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,7.23
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,7.21
+COC(=O)c1ccc(CS(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108242,6.04
+COC(=O)c1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL111054,7.295
+Cc1noc(-c2ccc(CSc3nc4ccccc4n3Cc3ccc(Cl)cc3)cc2)n1,CHEMBL264394,6.51
+CSc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL107974,6.26
+CC(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108616,6.57
+Clc1ccc(Cn2c(SCc3ccccc3)nc3ccccc32)cc1,CHEMBL110774,5.17
+CN(C)C(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL109189,6.1
+COC(=O)Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108979,6.48
+NS(=O)(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108297,5.92
+CS(=O)(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL321405,5.96
+COC(=O)c1cccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1,CHEMBL107988,5.96
+COC(=O)c1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108564,5.96
+N#Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL111006,5.38
+CC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108698,6.52
+Cc1nc(-c2ccc(CSc3nc4ccccc4n3Cc3ccc(Cl)cc3)cc2)no1,CHEMBL108856,7.02
+FC(F)(F)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL110431,5.59
+CC(C)(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL108146,6.85
+O=C(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1,CHEMBL109179,5.46
+Oc1ccc2c(c1)O[C@@H](CN1CCc3ccccc3C1)CC2,CHEMBL135044,8.6
+Oc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2,CHEMBL135357,8.15
+Oc1cc2c(cc1Cl)CC[C@@H](CNCc1ccccc1)O2,CHEMBL134343,7.11
+Oc1ccc2c(c1)OC(CNCc1ccccc1)CC2,CHEMBL135395,8.01
+Oc1ccc2c(c1)O[C@H](CNCc1ccccc1)CC2,CHEMBL138016,6.64
+Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2,CHEMBL135725,7.13
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL309118,6.29
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL322179,6.11
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL108527,5.77
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,CHEMBL110411,6.66
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,CHEMBL267562,6.2
+CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL310310,5.76
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL108637,6.08
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL67750,5.59
+OC1CCc2c(c3ccccc3n2CCCN2CCN(c3ccccc3)CC2)C1,CHEMBL110120,6.74
+Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1,CHEMBL323997,6.03
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL307800,8.0
+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL306672,7.96
+Fc1ccc(C(OCCOC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1,CHEMBL110435,5.95
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL69717,6.92
+O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,CHEMBL302796,6.22
+CN1C2CCC1CC(OC1c3ccccc3Cc3ccccc31)C2,CHEMBL320114,6.17
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,7.09
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL68860,6.38
+Clc1cccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)c1,CHEMBL106660,7.23
+O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL68720,8.3
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL110349,6.33
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,CHEMBL12004,6.42
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1,CHEMBL109299,6.66
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12375,6.88
+COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL49231,6.515
+Cc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1,CHEMBL300956,6.18
+N#Cc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL49876,6.125
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,CHEMBL45244,5.47
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL298166,6.105
+N#Cc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,CHEMBL423659,5.45
+COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1,CHEMBL51023,6.65
+COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1,CHEMBL296506,5.845
+N#Cc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,CHEMBL49502,5.845
+COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,CHEMBL48807,5.67
+Oc1cc2c(cc1Cl)CCC(CNCc1ccccc1)O2,CHEMBL337228,8.28
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)=O)cc2)CC1,CHEMBL126474,7.76
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1,CHEMBL126948,7.2
+COc1ccccc1N1CCN(CCCCNC(=O)C2CC2c2ccccc2)CC1,CHEMBL127114,7.09
+COc1ccc(/C=C/C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL127311,7.92
+COc1ccccc1N1CCN(CCCNC(=O)c2ccccc2I)CC1,CHEMBL263058,6.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1,CHEMBL125525,7.33
+COc1ccccc1N1CCN(CCCCNC(=O)CCc2ccccc2)CC1,CHEMBL340173,7.31
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1,CHEMBL126128,7.87
+COc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,CHEMBL127807,7.35
+COc1ccccc1N1CCN(C2CC3CC(N4CCN(c5ccccc5OC)CC4)CC3C2)CC1,CHEMBL126277,6.2
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL129483,7.273
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL127230,7.19
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(I)c2)CC1,CHEMBL338841,6.79
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1,CHEMBL338063,7.68
+O=C(NCCCCN1CCC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL99198,7.6
+COc1ccccc1N1CCN(C2CC3CC(NC4CC5CC(N6CCN(c7ccccc7OC)CC6)CC5C4)CC3C2)CC1,CHEMBL341481,6.99
+COc1ccccc1N1CCN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1,CHEMBL127080,7.25
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1,CHEMBL126136,7.82
+COc1ccc2cc([C@H](C)C(=O)NCCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL126331,7.02
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(I)cc2)CC1,CHEMBL340712,7.12
+COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL127979,6.52
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc(I)c2)CC1,CHEMBL129606,6.63
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL126439,7.225
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1,CHEMBL129429,7.43
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(Oc3ccccc3)c2)CC1,CHEMBL126342,6.94
+COc1ccccc1N1CCN(CCCCNC(=O)c2nccc3ccccc23)CC1,CHEMBL126892,7.68
+COc1ccccc1N1CCN(CCCNC(=O)Cc2cccc3ccccc23)CC1,CHEMBL126656,7.36
+COc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL126441,7.85
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1,CHEMBL421085,7.64
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL126632,7.3
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1,CHEMBL127029,6.7
+COc1ccccc1N1CCN(CCCCN2C(=O)C=C(c3ccccc3)C2=O)CC1,CHEMBL129502,6.48
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(I)c2)CC1,CHEMBL126502,7.17
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1,CHEMBL126746,7.43
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc3c2OCO3)CC1,CHEMBL125459,8.1
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccco2)CC1,CHEMBL341299,7.95
+COc1ccccc1N1CCN(CCCCNC(=O)c2sc3ccccc3c2Cl)CC1,CHEMBL126313,7.14
+COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL339103,7.46
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(F)cc2)CC1,CHEMBL338606,7.643
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1,CHEMBL127038,7.99
+COc1ccccc1N1CCN(CCCNC(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL128133,7.25
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL129465,7.85
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C=O)cc2)CC1,CHEMBL339062,7.94
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(Cl)c2)CC1,CHEMBL127912,7.7
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccs2)CC1,CHEMBL338552,8.02
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cc4ccccc4cc3C2=O)CC1,CHEMBL125580,6.84
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1,CHEMBL27254,6.84
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1,CHEMBL125676,6.89
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccsc2)CC1,CHEMBL126280,7.89
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Br)cc2)CC1,CHEMBL341134,7.63
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1,CHEMBL340851,7.49
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1,CHEMBL415520,7.3
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(/C=C/C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2)CC1,CHEMBL129035,8.14
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL126258,7.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL129022,7.56
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C#N)cc2)CC1,CHEMBL341241,8.0
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccnc2)CC1,CHEMBL341542,7.84
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/C=C/c2ccccc2)CC1,CHEMBL129767,7.72
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL126285,7.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1,CHEMBL127288,7.58
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2I)CC1,CHEMBL340608,7.2
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cc(I)c(OC)c(OC)c2)CC1,CHEMBL127923,7.41
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1,CHEMBL126749,7.49
+COc1ccccc1N1CCN(Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL126312,7.55
+COc1ccccc1N1CCN(C2CC3CC(NC(=O)c4ccc5ccccc5c4)CC3C2)CC1,CHEMBL340313,6.75
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2Cl)CC1,CHEMBL127654,7.82
+COc1ccccc1N1CCN(Cc2ccccc2CNC(=O)/C=C/c2ccccc2)CC1,CHEMBL127234,7.74
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(I)cc2)CC1,CHEMBL421667,6.93
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,CHEMBL126834,7.74
+COc1ccccc1N1CCN(Cc2ccc(CNC(=O)c3ccc4ccccc4c3)cc2)CC1,CHEMBL339620,6.7
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1,CHEMBL126725,7.65
+Cc1nn2c(-c3ccc(F)cc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160749,4.825
+Clc1ccc(N2CCN(Cc3cnn4c(N5CCN(Cc6ccccc6)CC5)cccc34)CC2)cc1,CHEMBL160266,6.295
+OCc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL160396,4.175
+OCc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn2c1,CHEMBL345357,4.59
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160952,5.357
+Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL423247,5.307
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(C)nn12,CHEMBL156851,4.64
+Cc1nn2c(N3CCN(Cc4ccccc4)CC3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160536,6.72
+Clc1ccc(N2CCN(Cc3cnn4c(-c5ccccc5)cccc34)CC2)cc1,CHEMBL155913,5.41
+C[Si](C)(C)c1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160454,5.53
+Cc1nn2c(-c3ccccc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL351550,4.585
+O=Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL346805,5.03
+Cc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL156369,4.905
+Fc1ccc(-c2cccc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cnn23)cc1,CHEMBL156198,4.82
+Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160932,4.235
+N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160626,4.355
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL299879,7.2
+CC1Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,CHEMBL349833,6.86
+CC1(C)Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,CHEMBL439646,6.7
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(CC5)C3=O)CC2)cc1,CHEMBL351963,6.68
+O=C1C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2cccc3c2N1CC3,CHEMBL352207,7.075
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)(C)C5)CC2)cc1,CHEMBL351989,6.78
+COc1cc(C)ccc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL159742,6.02
+COc1ccc(Cl)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL354699,6.66
+CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,CHEMBL68191,7.68
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,CHEMBL69584,6.16
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)C5)CC2)cc1,CHEMBL345438,7.59
+COc1ccc(C)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL351612,6.5
+Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL268799,7.15
+c1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59103,6.96
+c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59324,6.92
+CC1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL57478,5.26
+Cn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL98946,6.38
+CCn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL98945,6.31
+Cc1sc(C)c2c1CCc1cnn(C)c1-2,CHEMBL98830,6.34
+Cc1sc(C)c2c1CCCc1cnn(C)c1-2,CHEMBL316727,6.75
+Cc1sc(C)c2c1CCCc1c[nH]nc1-2,CHEMBL432579,5.68
+Cc1sc(C)c2c1SCc1cnn(C)c1-2,CHEMBL100203,6.95
+Cc1oc(C)c2c1CCCc1cnn(C)c1-2,CHEMBL433376,7.55
+Cc1sc(C)c2c1CCCc1cnn(C(C)C)c1-2,CHEMBL99649,6.26
+Cc1sc(C)c2c1CCc1c[nH]nc1-2,CHEMBL329276,5.38
+CCn1ncc2c1-c1c(C)sc(C)c1CCC2,CHEMBL99208,6.4
+Clc1sc(Cl)c2c1CCCc1c[nH]nc1-2,CHEMBL317770,6.27
+CCCn1ncc2c1-c1c(C)sc(C)c1CCC2,CHEMBL318949,6.05
+Cc1sc(C)c2c1CCCc1cn(C)nc1-2,CHEMBL317078,6.19
+Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1,CHEMBL77395,6.92
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,7.925
+COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc34)CC2)c1,CHEMBL152587,6.11
+COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152159,6.17
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL152756,6.03
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,CHEMBL152304,6.37
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152391,5.85
+COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92713,5.4
+COc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1,CHEMBL156845,5.13
+COc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL347290,5.81
+COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL315879,5.63
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152869,6.6
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]nc2ccccc12,CHEMBL152010,6.97
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL61789,5.42
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,6.08
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1,CHEMBL433741,7.11
+COc1cccc(C(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL423040,6.68
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12,CHEMBL152262,7.2
+COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152576,5.95
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.43
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL156599,5.43
+CN(C)CCSc1cccc(C2CCCCC2)n1,CHEMBL158402,5.89
+CN(C)CCSC(C)(C)C,CHEMBL158973,6.48
+CN(C)CCSc1nc(-c2ccncc2)cs1,CHEMBL350166,6.89
+CN(C)CCSc1cccc(-c2ccccc2)n1,CHEMBL161765,6.35
+CN(C)CCSc1cccc(Br)n1,CHEMBL158285,6.06
+c1ccc(-c2ncc(CN3CCN(c4cccnc4)CC3)[nH]2)cc1,CHEMBL321513,6.53
+c1ccc(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)cc1,CHEMBL103772,5.65
+c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1,CHEMBL99967,5.66
+Cc1nc(-c2ccccc2)[nH]c1CN1CCN(c2ncccn2)CC1,CHEMBL415014,5.84
+c1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1,CHEMBL103871,6.6
+Cc1ccc(C2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL37604,5.92
+Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL35093,5.56
+Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL37170,5.23
+Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL38262,5.73
+CCCCc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL283247,5.72
+Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4,CHEMBL287513,5.44
+Oc1cc2c(cc1O)[C@H]1c3cnccc3CN[C@@H]1CC2,CHEMBL28054,5.89
+Oc1cc2c(cc1O)[C@H]1c3cncc(F)c3CN[C@@H]1CC2,CHEMBL26365,6.05
+Oc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2,CHEMBL281932,5.6
+CCCc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL26965,6.35
+Cc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL27117,5.85
+Cc1cncc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL282136,6.4
+Oc1cc2c(cc1O)[C@H]1c3ccc(F)nc3CN[C@@H]1CC2,CHEMBL27101,5.66
+COc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL285924,6.28
+Cc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL275379,4.92
+Oc1cc2c(cc1O)[C@H]1c3ccncc3CN[C@@H]1CC2,CHEMBL284644,5.36
+Cc1cc2c(nc1C)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL284959,5.04
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(Cl)cc21,CHEMBL318739,6.22
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL320597,6.95
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(Cl)cccc21,CHEMBL106598,5.67
+COc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL319650,6.31
+CC1CCc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106897,5.38
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOc2ccccc21,CHEMBL104196,5.58
+CC(C)CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104713,6.47
+Cc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106998,5.77
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21,CHEMBL323537,5.58
+Cc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL321058,5.46
+Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,CHEMBL105595,5.2
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2[C@H]2CCCC[C@H]21,CHEMBL323213,6.42
+CC1(C)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL317879,6.93
+CC1CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL320067,5.36
+CCC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107793,6.29
+CSc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL318760,5.42
+CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106917,5.42
+Cc1cccc2c1N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,CHEMBL107229,5.34
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCCC2,CHEMBL107962,5.48
+CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107391,5.65
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21,CHEMBL105625,6.35
+CC(C)C1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL321871,5.6
+CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL104160,7.46
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1C,CHEMBL106742,6.51
+C[C@H]1c2ccccc2N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C,CHEMBL319927,6.74
+Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)CC2C,CHEMBL107338,5.72
+C[C@@H]1c2ccccc2N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C,CHEMBL326670,6.92
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCC2,CHEMBL441274,6.73
+CC1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C,CHEMBL107384,6.05
+CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL326250,6.89
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(F)cc21,CHEMBL317266,5.59
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCC2CCCCC21,CHEMBL107755,5.23
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL106737,6.71
+Cc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL558036,5.19
+Fc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL554016,6.23
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1,CHEMBL544925,5.42
+C(=C/c1cc(CCCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543277,5.01
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)c(OC)c1,CHEMBL543278,6.36
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)cc1OC,CHEMBL541025,6.38
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL544689,5.76
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL541270,6.53
+c1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL541524,6.31
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c1,CHEMBL538977,5.83
+COc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL539744,6.02
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4F)CC3)on2)cc1OC,CHEMBL554897,5.29
+c1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL538474,5.47
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL542809,6.47
+c1ccc(C(c2ccccc2)N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL543040,6.21
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c1,CHEMBL553810,5.82
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1,CHEMBL538723,6.92
+c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL542324,5.38
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccc(F)cc3)no2)CC1,CHEMBL544220,6.49
+Cc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL544451,5.68
+C(=C/c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543041,6.31
+Fc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL539235,5.6
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c(OC)c1,CHEMBL542573,5.66
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL557829,6.71
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL542325,6.14
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL537975,7.02
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1OC,CHEMBL557409,5.47
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4C)CC3)on2)cc1OC,CHEMBL541791,5.85
+Fc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL539999,5.84
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC,CHEMBL542571,5.58
+O=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL139089,7.3
+CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1,CHEMBL345087,5.575
+N[C@@H]1CCc2c(F)cccc2C1,CHEMBL138792,6.145
+CC(C)N[C@@H]1CCc2c(F)cccc2C1,CHEMBL342630,5.42
+CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL141511,6.35
+O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1,CHEMBL315864,7.06
+O=C1Cc2c(ccc(Cl)c2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL330108,6.27
+O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL314952,8.1
+c1ccc(CN2CCN(c3cccc4[nH]cnc34)CC2)cc1,CHEMBL88837,6.59
+c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1,CHEMBL328051,7.28
+Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12,CHEMBL90476,7.33
+FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,CHEMBL88289,8.39
+Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1,CHEMBL311539,7.09
+CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21,CHEMBL63209,5.13
+CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,CHEMBL305276,6.88
+O=C1Nc2ccccc2CC1N1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL67222,5.86
+Oc1ccc2c(c1)OC(CN1CCc3ccccc3C1)CC2,CHEMBL134808,8.37
+COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,CHEMBL29336,5.24
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Cl)c2ccccc12,CHEMBL416939,5.6
+COc1c(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc(Br)c2ccccc12,CHEMBL283034,5.92
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(C#N)c2ccccc12,CHEMBL282083,7.15
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,CHEMBL442535,6.15
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc2ccccc12,CHEMBL284896,5.15
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL30208,5.72
+COc1c(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc(Br)c2ccccc12,CHEMBL28964,6.32
+COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,CHEMBL29610,6.0
+COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,CHEMBL30146,6.52
+COc1c(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc(Br)c2ccccc12,CHEMBL29182,5.93
+COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,CHEMBL29435,5.89
+COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,CHEMBL29849,5.89
+COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,CHEMBL29436,6.82
+COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,CHEMBL287443,5.24
+COc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,CHEMBL30206,6.29
+c1ccc(C2=NCC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL352925,4.545
+CCCN(CCC)CC1CCc2ccsc2C1,CHEMBL103912,5.51
+CCCN(CCc1ccsc1)CCc1cccs1,CHEMBL103441,5.97
+CCCN(CCc1ccsc1)CCc1ccsc1,CHEMBL105623,6.36
+CCCN1CC(c2ccccc2)OC2c3cc(O)ccc3CCC21,CHEMBL322638,6.43
+CCCN1CCOC2c3cc(O)ccc3CCC21,CHEMBL102582,8.2
+CCCN(CCC)C1CCc2sccc2C1,CHEMBL103622,7.7
+CCCN(CCC)C1CCc2ccsc2C1,CHEMBL103857,7.57
+CCCN1CCOC2c3ccsc3CCC21,CHEMBL102632,6.2
+Oc1ccc2c(c1)C1OCCN(CCc3cccs3)C1CC2,CHEMBL102414,5.43
+CCCN(CCC)CC1CCc2sccc2C1,CHEMBL104135,5.69
+CCCN(CCC)[C@@H]1Cc2cccc(O)c2C[C@H]1C,CHEMBL15136,7.85
+O=C1c2ccccc2C(=O)N1CCCCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL338270,7.6
+O=C(CCCN1CCC(CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1,CHEMBL423706,7.4
+O=C1c2ccc(F)cc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL421902,7.4
+O=C1c2ccc(F)cc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL336771,8.0
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL133524,8.3
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL414433,7.6
+O=C1c2ccccc2C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL334956,7.7
+Cc1ccc2c(c1)C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O,CHEMBL340220,7.7
+Cc1ccc2c(c1)C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccccc34)CC1)C2=O,CHEMBL130261,7.4
+C1=C(c2c[nH]c3ccccc23)CCNC1,CHEMBL27811,6.7
+Cc1cccc2c1C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccccc34)CC1)C2=O,CHEMBL129852,7.0
+Cc1cccc2c1C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O,CHEMBL335259,7.6
+O=C1c2cccc(F)c2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL339098,7.6
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL129979,7.7
+O=C1c2cccc(F)c2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL335844,7.92
+Cc1cccc2c(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c[nH]c12,CHEMBL422618,7.4
+CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1,CHEMBL100454,7.66
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1,CHEMBL1125,8.05
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)([O-])CC1,CHEMBL440512,6.92
+CCCN(CCC)C1CCc2ncccc2C1,CHEMBL105977,6.45
+COc1ccc(Br)cc1C1=NCC[C@@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL353220,4.825
+O=C1C[C@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168571,5.345
+c1ccc(C2=NCC[C@@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL169562,5.19
+O=C1C[C@@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168541,4.965
+c1ccc(C2=NCC[C@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL354748,4.785
+COc1ccc(Br)cc1C1=NCC[C@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL169889,4.365
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,7.89
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1,CHEMBL28321,8.89
+COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1,CHEMBL148024,6.55
+CCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL283353,5.6
+c1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL169459,4.53
+c1ccc(CNCCOc2cccc3nc[nH]c23)cc1,CHEMBL89420,7.07
+FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,CHEMBL86504,7.49
+c1ccc(CNCCOc2cccc3n[nH]cc23)cc1,CHEMBL87137,7.1
+O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL314174,8.41
+c1ccc(CNCCOc2cccc3[nH]ccc23)cc1,CHEMBL64283,7.09
+FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87192,8.76
+S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL327782,8.52
+S=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL89037,8.19
+O=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL329398,8.59
+Cc1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87067,7.82
+O=C1Cc2c(cccc2OCCNCc2ccccc2)N1,CHEMBL59752,8.37
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cccnc4)CC3)CC2)nc1,CHEMBL164723,7.6
+c1ccc(N2CCN(C[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165664,8.24
+CN(CCc1ccccc1)CC[C@H]1CC[C@H](Nc2ncccn2)CC1,CHEMBL164979,7.41
+c1ccc(N2CCN(C3CCC(Nc4ncccn4)CC3)CC2)cc1,CHEMBL2110308,6.645
+c1cnc(N[C@H]2CC[C@H](CCN3CCc4ccccc4C3)CC2)nc1,CHEMBL165440,6.96
+COc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL351617,8.22
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ncccn4)CC3)CC2)nc1,CHEMBL349980,6.62
+Clc1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1Cl,CHEMBL350352,7.96
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccncc4)CC3)CC2)nc1,CHEMBL166151,5.32
+FC(F)(F)c1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1,CHEMBL165056,8.22
+C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1,CHEMBL164604,8.33
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4nccs4)CC3)CC2)nc1,CHEMBL166252,7.34
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncnc5ccccc45)CC3)CC2)cc1,CHEMBL349426,8.49
+c1ccc(N2CCN(CC[C@H]3CC[C@@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL3084971,7.55
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1,CHEMBL165689,6.74
+c1ccc(N2CCN(CCC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165140,8.13
+CN(c1ncccn1)[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL165047,8.32
+CCCN(CCC)CC[C@H]1CC[C@H](Nc2ncccn2)CC1,CHEMBL165381,5.62
+COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL69385,6.46
+CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71838,6.62
+CNC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71798,6.8
+COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71635,6.49
+COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71907,6.41
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,5.84
+Clc1ccc(-c2cc(C3CCCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL80833,6.02
+CC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1,CHEMBL80207,6.62
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL309901,6.7
+O=C(C=C(O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,CHEMBL2112285,6.92
+Cc1c(-c2ccccc2)n[nH]c1C1=CCN(CCc2ccccc2)CC1,CHEMBL80318,7.05
+Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL78923,8.07
+c1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1,CHEMBL79098,5.89
+CCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL78933,7.46
+Clc1ccc(-c2cc(C3CCN(CC4CCCCC4)CC3)[nH]n2)cc1,CHEMBL420954,6.92
+c1ccc(CCN2CCC3(CCc4c(-c5ccccc5)n[nH]c43)CC2)cc1,CHEMBL311832,6.16
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1,CHEMBL76090,6.9
+Cc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1,CHEMBL77015,6.19
+c1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1,CHEMBL310819,6.07
+CC1(C(O)=CC(=O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,CHEMBL2112284,6.39
+Clc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1,CHEMBL77017,6.25
+Clc1ccc(-c2cc(C3CCCCN3Cc3ccccc3)[nH]n2)cc1,CHEMBL80863,5.47
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL76355,6.92
+Clc1ccc(-c2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]n2)cc1,CHEMBL78287,6.24
+c1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1,CHEMBL77744,7.21
+c1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1,CHEMBL77743,7.19
+c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1,CHEMBL77148,6.51
+c1ccc(CCN2CCC(c3cc(-c4cccnc4)n[nH]3)CC2)cc1,CHEMBL309460,6.05
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1,CHEMBL312255,6.15
+CN(C)C1CCc2cc(O)c(O)cc2C1,CHEMBL611801,6.47
+C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1,CHEMBL34095,6.46
+CN1C[C@H](C(N)=O)C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]21,CHEMBL609151,8.7
+NCCc1cccc(O)c1,CHEMBL145584,4.7
+C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1,CHEMBL317741,6.29
+Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1,CHEMBL1160787,5.1
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.156
+Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CHEMBL588,6.09
+COc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1,CHEMBL292186,6.4
+O=C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,CHEMBL299479,5.7
+COc1cc2ccccc2cc1COCC1CCN(Cc2ccccc2)CC1,CHEMBL57407,6.0
+COc1cc2ccccc2cc1C(=O)NCC1CCN(Cc2ccccc2)CC1,CHEMBL61248,6.9
+COc1cc2ccccc2cc1OCCC1CCN(Cc2ccccc2)CC1,CHEMBL59075,5.8
+COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1,CHEMBL59326,5.5
+COc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1,CHEMBL61090,5.9
+COc1cc2ccccc2cc1OC(=O)CC1CCN(Cc2ccccc2)CC1,CHEMBL433255,5.1
+COc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1,CHEMBL60708,7.4
+COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1,CHEMBL57019,5.0
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)C2,CHEMBL160998,5.6
+COc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL161916,6.7
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL85606,6.247999999999999
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(C#N)cc4C3)CC2)c1,CHEMBL161853,6.0
+O=C(/C=C/c1ccc(F)cc1)N[C@H]1CC[C@H](CCN2Cc3ccc(C(F)(F)F)cc3C2)CC1,CHEMBL161126,6.4
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL162193,6.2
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL351722,5.6
+CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL158627,6.3
+O=C(/C=C/c1ccc(F)cc1)N[C@H]1CC[C@H](CCN2Cc3ccc(Br)cc3C2)CC1,CHEMBL351300,7.0
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,CHEMBL57219,6.4
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OS(C)(=O)=O)C1,CHEMBL291801,6.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(Cl)cccc2C1,CHEMBL51977,6.4
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(O)cccc2C1,CHEMBL58669,7.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(C#N)cccc2C1,CHEMBL416508,7.0
+CN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(O)cccc2C1,CHEMBL59642,6.9
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OCC2CC2)C1,CHEMBL61444,6.1
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OC)C1,CHEMBL61717,6.9
+COc1cccc2c1CCC(N(C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2,CHEMBL59554,6.5
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2C(N)=O)C1,CHEMBL59960,6.2
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(Br)cccc2C1,CHEMBL60038,6.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2ccccc2C1,CHEMBL60713,6.5
+CC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1,CHEMBL367129,6.7
+O=C(/C=C/c1ccc2[nH]ccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL291545,6.7
+COc1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL52987,6.5
+O=C(/C=C/c1ccc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55840,6.0
+O=C(/C=C/c1cnc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52901,6.5
+O=C(NCCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1,CHEMBL53833,6.3
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1cccc(-c2ccccc2)c1,CHEMBL52770,6.3
+Cc1ccccc1-c1ccc(C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL54715,5.8
+CN(C)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL53351,6.3
+Cc1nnc(-c2ccc(-c3ccc(C(=O)NCCCCN4CCc5ccc(OS(=O)(=O)C(F)(F)F)cc5C4)cc3)cc2)o1,CHEMBL279925,7.0
+O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55276,6.5
+O=C(/C=C/c1ccc2ccccc2n1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55090,6.4
+O=C(/C=C/c1ccc2ncccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52468,6.6
+CC(=O)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL293347,6.6
+CC(=O)c1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1,CHEMBL52135,6.4
+CNC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1,CHEMBL54777,7.0
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccc(N3CCCC3=O)cc2)cc1,CHEMBL297960,6.9
+CNC(=O)c1cccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1,CHEMBL52724,6.9
+O=C(/C=C\c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55524,6.5
+Cc1cc(C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)ccc1-c1ccccc1,CHEMBL54948,6.0
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccccc2)cc1,CHEMBL299038,6.3
+O=C(/C=C/c1ccc2[nH]c(=O)ccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52466,6.8
+COc1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1,CHEMBL416842,6.5
+O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL301475,6.2
+Cn1c(=O)ccc2cc(/C=C/C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc21,CHEMBL292577,6.5
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.63
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,8.5
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,6.91
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,6.5
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,6.2
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,6.4
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,6.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,6.1
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,5.8
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2,CHEMBL82864,6.5
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc34)CC1)CC2,CHEMBL86127,5.7
+CC(=O)Nc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1F,CHEMBL86183,6.3
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL314050,6.4
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)CC1)CC2,CHEMBL86032,6.1
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2,CHEMBL420789,6.4
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3F)CC1)CC2,CHEMBL315209,6.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)CC2,CHEMBL445111,5.9
+CC(=O)c1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL419487,6.7
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL86402,5.5
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL87600,6.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)CC2,CHEMBL85711,5.9
+CC(=O)Nc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL313255,6.3
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccc(=O)[nH]c4c3)CC1)CC2,CHEMBL87753,6.3
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL169323,6.4
+CCCN1CCC[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL170976,6.3
+c1c2c(cc3c1CC[C@H]1NCCO[C@H]31)OCC2,CHEMBL171825,6.0
+CC(C)CN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL169322,5.3
+CN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL171826,6.4
+CCCN1CCO[C@@H]2c3cc4c(cc3OC[C@H]21)CCO4,CHEMBL170923,4.9
+c1c2c(cc3c1CC[C@@H]1[C@@H]3OCCN1CC1CC1)OCC2,CHEMBL171672,5.6
+CCCN(CCC)C1CCc2cc3c(cc2C1)OCC3,CHEMBL140184,6.6
+O=C(NCCCCN1CC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL97856,6.5
+COc1cccc2c1CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL97118,6.2
+CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL99876,6.5
+CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL318925,6.6
+O=C(NCCCCN1CC[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL97107,6.3
+CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL329702,6.0
+COc1cccc2c1CC[C@@H]1[C@@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL97149,6.1
+O=C(NCCCCN1CCC[C@@H]2c3cccc(O)c3CC[C@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL419706,6.2
+O=C(NCCCCN1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL95759,6.3
+CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL317996,6.4
+COc1cccc2c1CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL2111591,6.3
+O=C(NCCCCN1CCC[C@@H]2c3ccccc3CC[C@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL95743,6.3
+O=C(NCCCCN1CC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL319116,7.2
+CS(=O)(=O)Oc1cccc2c1CCC1C2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL2111592,6.5
+CS(=O)(=O)Oc1cccc2c1CC[C@@H]1[C@@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL319355,5.9
+CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL97440,5.7
+O=C(NCCCCN1CC[C@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL98452,6.3
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,5.6
+CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccc(C(F)(F)F)cc3)c2OC)C1,CHEMBL424458,7.0
+CCCN(CCC)C1CCc2cc(CN(C(N)=O)c3ccc(OC)cc3)ccc2C1,CHEMBL338938,5.2
+CCCN(CCC)C1CCc2cc(CSc3ccc(OC)cc3)ccc2C1,CHEMBL130843,6.7
+CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1,CHEMBL334529,6.2
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(/C(C)=N\O)cc3)ccc2C1,CHEMBL336971,6.5
+CCCN(CCC)C1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1,CHEMBL338496,6.2
+CCCN(CCC)C1CCc2cc(CCc3ccc(C(C)=O)cc3)ccc2C1,CHEMBL133800,6.0
+CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(I)cc3)ccc2C1,CHEMBL130678,6.7
+CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C,CHEMBL132574,6.2
+CCCN(CCC)C1CCc2cc(CCc3ccc(C(=O)OCC)cc3)ccc2C1,CHEMBL130101,6.6
+CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccccc3)c2OC)C1,CHEMBL130423,6.0
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1,CHEMBL132789,6.4
+CCCN(CCC)C1CCc2cc(CCc3ccc(OC)cc3)ccc2C1,CHEMBL441089,6.6
+CCCN(CCC)C1CCc2cc(CCc3ccc(O)cc3)ccc2C1,CHEMBL130304,6.5
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(C(C)=O)cc3)ccc2C1,CHEMBL133519,6.1
+CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1,CHEMBL131556,6.3
+CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccc(Cl)cc3)c2OC)C1,CHEMBL132769,6.9
+CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1,CHEMBL132724,6.9
+CCCN(CCC)C1CCc2cc(CCc3ccccc3)ccc2C1,CHEMBL130665,6.4
+CCCN(CCC)C1CCc2cc(CCc3ccc(/C(C)=N\O)cc3)ccc2C1,CHEMBL130282,6.1
+CCCN(CCC)C1CCc2cc(CN(C(=O)OC)c3ccc(OC)cc3)ccc2C1,CHEMBL133166,6.1
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1,CHEMBL2093001,5.8
+COc1ccc(S(N)(=O)=O)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL144600,6.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3)[nH]2)c1,CHEMBL22156,7.4
+COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL433552,6.0
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145545,6.2
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL423198,7.0
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3)[nH]2)c1,CHEMBL144055,6.3
+COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL144141,6.2
+COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145408,6.0
+COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145141,6.9
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3)[nH]2)c1,CHEMBL2093000,7.0
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1,CHEMBL1788252,6.3
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1,CHEMBL1788258,7.6
+COc1ccc(S(=O)(=O)C(C)C)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL344531,6.7
+COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL280490,7.0
+COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL356526,6.7
+CCN1CCCCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL280177,8.1
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC,CHEMBL277945,8.2
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC3)[nH]2)c1,CHEMBL21118,6.8
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3)[nH]2)c1,CHEMBL21280,6.6
+CCN1CCCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL20763,8.1
+CCN(Cc1ccccc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL21967,9.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3c3ccccc3)[nH]2)c1,CHEMBL280961,7.8
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC3c3ccccc3)[nH]2)c1,CHEMBL281177,7.9
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCCC3c3ccccc3)[nH]2)c1,CHEMBL20395,6.5
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCOCC3)[nH]2)c1,CHEMBL20407,5.5
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCCCC3)[nH]2)c1,CHEMBL22022,7.1
+CCN1CCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL277631,7.6
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCC3)[nH]2)c1,CHEMBL282287,6.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCCC3)[nH]2)c1,CHEMBL20785,6.5
+CCN(CC)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL277684,6.5
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3)[nH]2)c1,CHEMBL279039,6.8
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3F)CC1)CC2,CHEMBL2368625,7.1
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+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL2113364,7.2
+Cc1cnc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL2113357,6.2
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+Cn1nccc1-c1cccc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)c1,CHEMBL3084605,6.3
+Cc1coc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)n1,CHEMBL3084612,6.7
+Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)on1,CHEMBL3084626,6.8
+Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c2ccccc2n1,CHEMBL2113358,6.2
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+COc1ccccc1/C=C/C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1,CHEMBL2368633,7.0
+Cc1nc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)no1,CHEMBL3084613,6.7
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)CC2,CHEMBL3084620,6.2
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+Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084597,6.7
+Cc1ccc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)cccc2n1,CHEMBL3084598,6.7
+Cc1cnc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084629,6.5
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc34)CC1)CC2,CHEMBL3084625,6.7
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+COc1ccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)cc1,CHEMBL2113356,7.5
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc(-n4cccc4)c3)CC1)CC2,CHEMBL3084596,6.6
+Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084602,6.2
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1,CHEMBL2368618,7.2
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+Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)on1,CHEMBL3084615,6.3
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+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL2368629,7.1
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+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cc(F)cc(F)c3)CC1)CC2,CHEMBL2368627,6.6
+Cc1ccc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)ccc(F)c2n1,CHEMBL2113363,6.1
+Cc1nc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)no1,CHEMBL3084616,6.3
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,5.4
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1,CHEMBL419760,7.0
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1Cl,CHEMBL113606,7.7
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccc(C)cc3)[nH]2)c1,CHEMBL112219,7.6
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccc(OC)cc3)[nH]2)c1,CHEMBL325859,7.6
+CCN1[C@H](c2ccccc2)CC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL111884,7.4
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H](C)c1ccccc1,CHEMBL109532,8.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3C)[nH]2)c1,CHEMBL325060,5.9
+CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL113229,8.5
+CCN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL322070,9.0
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3cccc(OC)c3)[nH]2)c1,CHEMBL325658,6.1
+CCN(Cc1cccc(Cl)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL332270,8.0
+CCN(Cc1ccc(OC)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112735,8.7
+CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL324044,7.5
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H](C)c1ccccc1,CHEMBL321244,7.6
+CCN(Cc1cccc(OC)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112505,7.1
+CCN(Cc1ccc(C)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112705,9.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C3CCCN3Cc3ccccc3)[nH]2)c1,CHEMBL326662,7.4
+CCN1[C@H](c2ccccc2)CC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL2367896,6.8
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)C1CCCc2ccccc21,CHEMBL113524,7.9
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)C1CCc2ccccc21,CHEMBL323817,9.1
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1OC,CHEMBL110793,7.8
+CCN(Cc1cccc(C)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112268,8.1
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1C,CHEMBL113523,8.2
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2,CHEMBL2113347,7.0
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)C2,CHEMBL2113349,6.1
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)C2,CHEMBL2368612,6.7
+N#Cc1ccc2c(c1)CN(CCCCNC(=O)/C=C/c1c[nH]c3ccccc13)CC2,CHEMBL553591,6.1
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL2368611,6.7
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)CC2,CHEMBL2113350,6.8
+CS(=O)(=O)c1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4cc(C#N)ccc4C3)CC2)c1,CHEMBL2113352,6.5
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)C2,CHEMBL2113348,5.8
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3c[nH]c4ccccc34)CC1)CC2,CHEMBL2112078,6.9
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)C2,CHEMBL2113351,6.4
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)ncc2C1,CHEMBL91460,6.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(NC)ncc2C1,CHEMBL91510,5.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(C)ncc2C1,CHEMBL93336,5.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2ncnc(OC)c2C1,CHEMBL93794,5.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(SC)ncc2C1,CHEMBL328002,5.9
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N(C)C)ncc2C1,CHEMBL90897,5.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)sc2C1,CHEMBL90433,6.7
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(C(C)(C)C)ncc2C1,CHEMBL92439,5.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2[nH]ncc2C1,CHEMBL91156,6.3
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2ncncc2C1,CHEMBL92438,5.9
+CN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)ncc2C1,CHEMBL93703,5.8
+Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1,CHEMBL12264,5.4
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,5.8
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,5.7
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,6.4
+O=C(NCCCCN1CCC[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL97840,6.1
+CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL267932,9.88
+CCCN[C@@H]1CCc2ccc3[nH]c(C(N)=O)cc3c2C1,CHEMBL1744089,6.07
+CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(C(N)=O)cc3c2C1,CHEMBL1788192,6.41
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1,CHEMBL1744088,7.36
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(C(N)=O)cc3c2C1,CHEMBL1744037,7.42
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1,CHEMBL71920,7.46
+CCCN(CCC)[C@H]1CCc2ccc3[nH]c(C#N)cc3c2C1,CHEMBL1744035,6.05
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C(N)=O)cc3c2C1,CHEMBL1744036,6.67
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(C(N)=O)cc3c2C1,CHEMBL1788191,6.04
+CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL320779,6.96
+CN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1,CHEMBL63321,7.7
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccsc5)c4)CC3)c2o1,CHEMBL310045,8.89
+O=c1[nH]c2cccc(N3CCN(Cc4ccc(O)c(-c5ccccc5)c4)CC3)c2o1,CHEMBL80230,9.39
+O=c1[nH]c2cccc(N3CCN(Cc4cncc(-c5ccccc5)c4)CC3)c2o1,CHEMBL76990,8.74
+Cc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL305834,8.03
+O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccc(F)cc5)ccn4)CC3)c2o1,CHEMBL308345,9.33
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccc(Cl)c5)c4)CC3)c2o1,CHEMBL77934,7.74
+O=C1COc2c(cccc2N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)N1,CHEMBL305920,9.0
+Cn1c(=O)oc2c(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)cccc21,CHEMBL306634,8.0
+N#Cc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL80156,8.22
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccs5)c4)CC3)c2o1,CHEMBL75621,8.66
+COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,CHEMBL58377,8.3
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL77472,8.77
+COc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1,CHEMBL309215,8.0
+O=C(NCCN1CCN(c2cccc3[nH]c(=O)oc23)CC1)c1ccc(F)cc1,CHEMBL78058,8.34
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCN5)CC3)c2)cc1,CHEMBL310048,9.03
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)n4)CC3)c2o1,CHEMBL419275,8.52
+c1ccc(-c2cccc(CN3CCN(c4cccc5ccoc45)CC3)c2)cc1,CHEMBL308875,8.09
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4CCCN5)CC3)c2)cc1,CHEMBL308476,8.4
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)c4)CC3)c2o1,CHEMBL306830,8.09
+O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccccc5)ccc4F)CC3)c2o1,CHEMBL77334,7.92
+Fc1ccc(-c2ccc(CN3CCN(c4cccc5ccoc45)CC3)[nH]2)cc1,CHEMBL292187,9.38
+c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCO5)CC3)c2)cc1,CHEMBL78241,8.0
+N#Cc1ccccc1-c1cccc(CN2CCN(c3cccc4[nH]c(=O)oc34)CC2)c1,CHEMBL420016,8.7
+O=c1[nH]c2cccc(N3CCN(Cc4ccnc(-c5ccc(F)cc5)c4)CC3)c2o1,CHEMBL74805,8.54
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,5.65
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,8.15
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,7.15
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,6.58
+CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL283528,7.92
+COc1ccc(SC)cc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1,CHEMBL356945,6.34
+CN1CCOc2c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL281363,6.1
+CN1CCOc2c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL279937,7.24
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,6.62
+COc1cc2c(c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)c1)OCC2,CHEMBL148352,6.92
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL279729,6.2
+CSc1cc2c(c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c1)OCC2,CHEMBL149723,8.17
+CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1,CHEMBL407641,8.27
+CN1CCN(c2nc3ccccc3c(Cl)c2Sc2ccccc2)CC1,CHEMBL15242,7.51
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1,CHEMBL15270,7.21
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(N2CCN(C)CC2)n1,CHEMBL14998,7.21
+CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1,CHEMBL14899,6.73
+C(=C/c1ccccc1)\COCC1CCN(CCCc2ccccc2)CC1,CHEMBL308980,6.02
+c1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL80656,6.26
+Fc1ccc(C#CCOCCC2CCN(CCc3ccccc3)CC2)cc1,CHEMBL308098,5.97
+Fc1ccc(/C=C/COCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL80968,5.66
+C(=C/c1ccccc1)\COCC1CCN(CCc2ccccc2)CC1,CHEMBL77206,6.62
+FC(F)(F)c1ccc(/C=C/COCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL430444,5.36
+Fc1ccc(CCN2CCC(CCOCC#Cc3ccccc3)CC2)cc1,CHEMBL76927,5.74
+C(#Cc1ccccc1)COC1CCN(CCc2ccccc2)CC1,CHEMBL311508,5.87
+C(#Cc1ccccc1)COCCC1CCN(CCc2ccccc2)CC1,CHEMBL78067,6.88
+C(COCC1CCN(Cc2ccccc2)CC1)=C(c1ccccc1)c1ccccc1,CHEMBL75860,6.21
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL444342,8.23
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL166310,8.48
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL166366,7.22
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL349057,7.8
+Nc1ccc(F)cc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165723,7.82
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL163261,7.7
+O=CNc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164744,8.11
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL348977,7.17
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL352686,7.2
+Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165126,7.85
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccc(F)cc1,CHEMBL352648,8.06
+CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162102,7.74
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL354005,8.4
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL349683,8.46
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL165780,8.64
+Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL424384,8.64
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL349151,8.33
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccccc1,CHEMBL350567,7.77
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL352194,7.96
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL163742,7.39
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351459,7.72
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL163904,7.54
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351247,7.85
+CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164338,7.82
+CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL163895,7.59
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL351708,7.64
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL165897,7.72
+Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL352182,8.33
+CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL168051,7.51
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL351592,8.28
+Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164909,7.3
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164185,8.02
+CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162768,8.47
+CN[C@@H]1Cc2cccc3ncn(c23)C1,CHEMBL348285,6.45
+CN(C)[C@@H]1Cc2cccc3ncn(c23)C1,CHEMBL345458,5.89
+CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL422344,7.92
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.105
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL11,6.14
+c1ccc2c(c1)Cc1ccccc1C21CCNC1,CHEMBL307956,5.3
+O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]ccc4c3O1)CC2,CHEMBL317433,9.7
+O=C(c1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1)N1CCCCC1,CHEMBL423632,6.43
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.8
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2ccccc21,CHEMBL155124,6.4
+COc1ccc2c(c1)CC(CN1CCN(c3ccccc3OC)CC1)CC2=O,CHEMBL155426,6.65
+COc1cc2c(cc1OC)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL155257,6.86
+COc1ccc2c(c1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL421801,6.332999999999999
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,6.69
+COc1cc2c(cc1OC)C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2,CHEMBL157046,6.08
+COc1ccc2c(c1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL153956,6.4670000000000005
+Oc1cc2c(cc1Cl)CNC[C@H]2c1ccccc1,CHEMBL59603,5.74
+CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL293828,5.72
+CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL303993,5.73
+Oc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1,CHEMBL65397,5.43
+CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1,CHEMBL293158,4.72
+CN1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1,CHEMBL302393,6.58
+CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1,CHEMBL64117,6.84
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL62,6.025
+NC(=O)C1CCC(CN2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)O1,CHEMBL282927,7.0
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,7.71
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.22
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,6.48
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,6.96
+O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1423,7.925
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.745
+C=CCN1CCC2c3cccc(O)c3CC[C@@H]21,CHEMBL275543,7.23
+CCCN1CC[C@@H]2c3cccc(O)c3CC[C@H]21,CHEMBL24588,7.03
+C=CCN1CCC2c3c(cccc3OC)CC[C@@H]21,CHEMBL418705,7.11
+C=CCN1CC[C@@H]2c3c(O)cccc3CC[C@H]21,CHEMBL283738,7.6
+C=CCN1CCC2c3cccc(O)c3CC[C@H]21,CHEMBL10408,6.97
+C=CCN1CCC2c3c(cccc3OC)CC[C@H]21,CHEMBL10270,8.17
+C=CCN1CC[C@@H]2c3cccc(O)c3CC[C@H]21,CHEMBL25483,8.39
+C=CCN1CC[C@@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL286205,8.07
+CCCN1CC[C@H]2c3cccc(O)c3CC[C@H]21,CHEMBL26560,6.66
+CCCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]21,CHEMBL11065,6.04
+C=CCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]21,CHEMBL267557,6.63
+COc1cccc2c1C1CCN(CCc3ccccc3)[C@H]1CC2,CHEMBL416519,6.41
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL320173,8.51
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC(n2c(=O)[nH]c4ccccc42)CC1)O3,CHEMBL418802,8.17
+NC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL320880,8.74
+CCCCOC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL102175,8.24
+N#Cc1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL101535,8.82
+O=C(OCc1ccccc1)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL318166,8.24
+O=C(NCCCc1ccccc1)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3,CHEMBL103983,7.39
+O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4[nH]c(CO)cc4c3O1)CC2,CHEMBL323088,8.7
+CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(C(=O)OC)cc4c3O2)CC1,CHEMBL319023,6.59
+COC(=O)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3,CHEMBL318374,7.8
+O=C(O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)O3,CHEMBL106283,7.24
+CCCN[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL554220,7.3
+CCCN(C/C=C/I)C1CCc2cccc(O)c2C1,CHEMBL284716,5.97
+O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,CHEMBL79834,8.52
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL441618,7.46
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1,CHEMBL71707,5.9
+CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL90746,6.9
+CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL90882,8.6
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,7.24
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,6.82
+CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL432762,7.03
+CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL88464,8.06
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,6.16
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,6.28
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,6.54
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,9.0
+CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL89970,7.68
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,6.14
+C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1,CHEMBL335545,7.752999999999999
+Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL53510,5.97
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,5.1
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O,CHEMBL417473,7.59
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O,CHEMBL285352,6.67
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,5.44
+CCO[C@@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL280804,7.61
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@]3(C)O,CHEMBL27309,6.74
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O,CHEMBL26751,7.62
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3=O,CHEMBL26471,6.5
+CCO[C@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281554,7.15
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL52096,7.915
+Cc1cc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL422788,7.97
+Cc1c(C)c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL120661,8.23
+O=c1ccc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2o1,CHEMBL120590,7.8
+CN1CCc2cccc3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1-3,CHEMBL333836,6.71
+CCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL118254,7.1
+C=Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119656,6.75
+CN1CCc2cccc3c2[C@H]1Cc1cccc(C#N)c1-3,CHEMBL115969,6.74
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C(C)C)CC3,CHEMBL115402,6.0
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,6.63
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL117841,6.26
+CC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL333134,6.51
+CC(C)N1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL333725,6.0
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC)c1-3,CHEMBL119154,6.08
+COc1ccccc1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL333085,5.88
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,5.21
+CN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5,CHEMBL120927,5.88
+CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5,CHEMBL122485,6.27
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,7.26
+CN1CCc2ccc3ncc4cccc5c4c3c2[C@H]1C5,CHEMBL122453,6.49
+CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL124419,6.58
+CCCN(C(C)C)[C@@H]1CCc2cccc(O)c2[C@@H]1C,CHEMBL288721,6.21
+CCCN(CCC)[C@@H]1CCc2ccccc2[C@@H]1C,CHEMBL41802,7.06
+CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C,CHEMBL43475,7.52
+CCCN(CCC)[C@H]1CCc2cccc(OC)c2[C@H]1C,CHEMBL287770,5.98
+CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2[C@@H]1C,CHEMBL290091,7.4
+CCCN(CCC)[C@@H]1CCc2cccc(C(=O)OC)c2[C@@H]1C,CHEMBL40634,7.23
+CCCN(CCC)[C@@H]1CCc2cccc(OC)c2[C@@H]1C,CHEMBL290446,7.47
+CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2[C@@H]1C,CHEMBL290546,6.91
+CC(=O)c1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL326159,5.56
+COc1c(OS(=O)(=O)C(F)(F)F)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL334116,5.98
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1-3,CHEMBL119900,6.39
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL119593,6.6
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL332178,6.61
+CCc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL115524,5.69
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(OC)c1-3,CHEMBL118771,6.62
+CCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331005,6.39
+COc1c(C(C)=O)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL324372,5.53
+COc1c(-c2ccco2)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119150,6.24
+C=Cc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331100,5.76
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL117730,5.33
+CCCN(C(C)C)[C@@H]1COc2cccc(C(C)=O)c2C1,CHEMBL3085215,4.52
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,7.62
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1,CHEMBL294458,5.06
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL294459,5.87
+N#CC(C#N)=Cc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]1,CHEMBL303538,4.27
+N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL300553,4.935
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL163239,6.36
+C=CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL544418,6.96
+CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL556969,7.21
+CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL542029,7.36
+CN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL163863,6.64
+CN1CCC(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL539057,7.09
+CN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL554670,7.05
+C=CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL555362,7.08
+CCCN(CCC)C1CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1,CHEMBL164736,4.925
+CCCN(CCC)C1CCC(=C(C#Cc2ccccc2)C#Cc2ccccc2)CC1,CHEMBL165171,5.21
+CCCN(CCC)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL166325,4.82
+Clc1ccc(N2CCN(Cc3cccn4nccc34)CC2)cc1,CHEMBL90374,4.74
+Clc1ccc(N2CCN(Cc3cccc4ccnn34)CC2)cc1,CHEMBL88937,4.397
+Clc1ccc(N2CCN(Cc3ccc4ccnn4c3)CC2)cc1,CHEMBL432059,4.855
+CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL91362,4.39
+OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL328925,4.345
+N#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1,CHEMBL344602,5.775
+N#Cc1ccc2cc(CN3CCN(c4ccccc4Cl)CC3)[nH]c2c1,CHEMBL140258,6.48
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1,CHEMBL344270,6.21
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4Cl)CC3)c2c1,CHEMBL143355,6.06
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,CHEMBL140165,5.68
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL342001,5.48
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1,CHEMBL143761,4.635
+N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1,CHEMBL141035,5.83
+N#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1,CHEMBL343880,5.425
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2c1,CHEMBL140006,4.405
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,CHEMBL140594,5.11
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,6.605
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL140968,7.22
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1,CHEMBL141419,7.305
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[te]1,CHEMBL337531,7.18
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,CHEMBL336930,6.965
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL423735,7.075
+COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL139722,6.292999999999999
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL142020,6.643
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,6.946000000000001
+CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1,CHEMBL310867,7.265
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,6.61
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,7.11
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL413343,6.7
+COc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL423440,5.76
+COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL168566,6.18
+COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL167414,6.02
+CNc1cc(OC)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL169222,7.1
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL355566,7.485
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL354180,7.775
+CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168274,6.14
+CCC[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168611,7.45
+COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353090,5.655
+CCC[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL424575,6.72
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353087,4.7
+CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL267044,7.158
+CNc1cc(OC)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL166587,7.015
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL169193,6.96
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL167032,4.585
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL169631,4.485
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL168372,4.62
+CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168544,7.445
+COc1ccc(Br)cc1-c1ncc(CNC[C@@H]2CCN(Cc3ccccc3)C2)[nH]1,CHEMBL64566,5.38
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,CHEMBL64376,5.805
+c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL64043,4.63
+c1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL302186,4.755
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111525,6.485
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1,CHEMBL294780,5.64
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)co1,CHEMBL293225,6.115
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL62602,6.55
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)cs1,CHEMBL2111528,6.885
+COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64668,5.455
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL64288,6.32
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1,CHEMBL64696,5.96
+COc1ccc(Br)cc1-c1nc(CNCC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL65641,5.965
+Oc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL62996,5.27
+COc1ccc(Br)cc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64752,5.655
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1,CHEMBL62624,6.845
+COc1c(-c2nc(CNC[C@@H]3CCN(Cc4ccccc4)C3)co2)cc(Br)c2ccccc12,CHEMBL62601,4.55
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1,CHEMBL64325,6.285
+c1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL59702,4.955
+COc1ccc(Br)cc1-c1nc(CNCCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111527,6.4
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cs1,CHEMBL64139,6.465
+c1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL62703,4.615
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)cs1,CHEMBL293645,6.875
+c1ccc(CN2CC[C@@H](CNCc3csc(-c4ccccc4)n3)C2)cc1,CHEMBL59749,5.172000000000001
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111526,5.13
+C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL325104,5.19
+c1ccc(CN2CCC(n3ccc(-c4cnco4)c3)CC2)cc1,CHEMBL107529,5.48
+C(#Cc1cccn1C1CCN(Cc2ccccc2)CC1)c1ccccc1,CHEMBL104092,5.04
+c1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1,CHEMBL104453,6.35
+O=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL422959,4.25
+c1ccc(CN2CCC(n3cccc3)CC2)cc1,CHEMBL326877,5.04
+O=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL109173,5.835
+C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL108160,5.26
+N#CC(C#N)=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL326864,5.035
+Ic1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL106635,5.175
+N#CC(C#N)=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL104201,4.815
+Cc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148694,6.83
+Cc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL358657,6.74
+Clc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL146856,5.0
+CN1CCCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL148042,4.72
+Cc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL422310,6.2
+Cc1ccc2c(c1)C(NC1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL347959,5.59
+Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL436274,6.05
+Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL63329,5.23
+Clc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,CHEMBL148559,6.24
+CN1CCC(NC2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL356149,5.96
+Clc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148353,6.87
+Clc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL342536,6.74
+CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL63576,5.65
+COc1cccc(C(=O)CCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL327245,5.59
+COc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL96462,5.3
+COc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,CHEMBL328283,6.58
+COc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL329228,6.55
+COc1ccc2c(c1)C(=O)N(CCN1CCN(c3ccc(Cl)cc3)CC1)CC2,CHEMBL330470,5.4
+COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL318747,5.56
+COc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL321557,5.47
+COc1cccc2c1CCCC2NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2112375,5.5
+COc1ccc2c(c1)C(CCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,CHEMBL420067,6.01
+COc1cccc2c1CCN(CCN1CCN(c3ccc(Cl)cc3)CC1)C2=O,CHEMBL96799,5.5
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@H]21,CHEMBL98305,8.94
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21,CHEMBL98836,7.13
+CCCN1CCOC2c3cc(O)ccc3S(=O)CC21,CHEMBL99355,6.71
+CCCN1CCO[C@H]2c3cc(O)ccc3SC[C@@H]21,CHEMBL98197,6.07
+CCCN1CCOC2c3cc(O)ccc3SCC21,CHEMBL330216,6.27
+C#CCN(CCCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL157293,7.412999999999999
+O=C(NCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1)c1ccccc1,CHEMBL422883,6.45
+C#CCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL158013,6.61
+N#CCCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL346512,6.21
+O=C(NCCCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1)c1ccccc1,CHEMBL156816,6.11
+C#CCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL157035,8.13
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156639,6.76
+CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156689,7.56
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL157036,8.06
+CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1,CHEMBL118636,6.3
+CCCNC1Cc2cc3nc(N)sc3cc2C1,CHEMBL118637,5.87
+CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1,CHEMBL325710,7.57
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,5.66
+CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1,CHEMBL20854,5.8
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1,CHEMBL21035,6.1
+CC1(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,CHEMBL20367,6.0
+CCCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20996,5.8
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL277937,5.7
+CCCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20444,5.8
+CC1(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,CHEMBL20655,6.1
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL283142,7.2
+CC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL282008,5.6
+COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,CHEMBL20251,6.8
+CC(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20114,5.7
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Br)cc2)CC1,CHEMBL277669,5.8
+CCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL21011,6.0
+CCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20725,5.6
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL21168,6.4
+CC(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL21252,5.8
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL21119,6.2
+CC(C)(C)C(=O)NCCCCN1CCN2c3ccc(Cl)cc3CCC2C1,CHEMBL20204,6.4
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1,CHEMBL21059,5.4
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL21205,6.4
+CC(C)(C)C(=O)NCCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL278288,6.4
+CC(C)(C)C(=O)NCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20729,6.6
+COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,CHEMBL21008,7.7
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20493,5.6
+CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1,CHEMBL15146,7.155
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,8.073
+CCCNC1CCc2c(cccc2OC)C1,CHEMBL135152,6.42
+CCCN(CCC)C1CCc2c(cccc2OC)C1,CHEMBL11615,6.38
+CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL336295,6.26
+CCCN(CCc1cccs1)C1CCc2c(cccc2OC2CCCC2)C1,CHEMBL132261,5.98
+CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1,CHEMBL134747,6.28
+CCNC1CCc2c(cccc2OC)C1,CHEMBL134759,6.74
+NC1CCc2c(O)cccc2C1,CHEMBL441092,5.83
+CCCN(CCC)[C@H]1CCc2ccc(OC)cc2C1,CHEMBL135944,5.47
+CCCN[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL335971,4.23
+CCCN(CCC)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL134326,5.23
+COc1cccc2c1CCC(N)C2,CHEMBL30560,6.48
+COc1cccc2c1CCC(N(C)C)C2,CHEMBL134866,6.74
+CCCN[C@H]1CCc2ccc(OC)cc2C1,CHEMBL336962,5.49
+COc1ccc2c(c1)CC(N)CC2,CHEMBL422274,5.23
+CCN(CC)C1CCc2c(cccc2OC)C1,CHEMBL134701,6.92
+CNC1CCc2c(cccc2OC)C1,CHEMBL135048,6.88
+CCCCNC1CCc2c(cccc2OC)C1,CHEMBL131851,6.16
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@@H](CNCc1ccccc1)CC3,CHEMBL420986,8.52
+c1ccc(CNC[C@H]2CCc3ccc4[nH]ccc4c3O2)cc1,CHEMBL60185,6.97
+FC(F)(F)c1nc2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL313851,6.88
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@H](CNCc1ccccc1)CC3,CHEMBL93753,7.17
+O=c1[nH]c2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL93779,8.3
+O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,CHEMBL303556,8.03
+Cc1cccc(O)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL26907,5.535
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(OS(=O)(=O)C(F)(F)F)cccc2OS(=O)(=O)C(F)(F)F)c1-3,CHEMBL282413,5.65
+COc1cccc(OC)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL283065,5.69
+O=C1Nc2cccc3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL25815,6.98
+COc1ccc(OC)c(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)c1,CHEMBL319043,7.23
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL322222,5.84
+COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107631,5.93
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL108282,6.72
+C=C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL431640,6.57
+CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,CHEMBL321121,7.02
+CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL108011,6.66
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CF,CHEMBL320721,5.96
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CO,CHEMBL107151,5.52
+CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL106169,6.12
+COc1cc(Cl)ccc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL106862,6.56
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL104678,7.37
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1,CHEMBL104323,5.59
+CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL319923,6.66
+COc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL105317,6.17
+COc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL104751,7.55
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1,CHEMBL326010,6.57
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1,CHEMBL320515,6.7
+C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106119,5.03
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1,CHEMBL104058,6.54
+COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,CHEMBL105745,6.31
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1,CHEMBL105172,7.02
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1,CHEMBL105354,5.63
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1,CHEMBL321201,5.94
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1,CHEMBL105601,6.0
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL321698,6.13
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL105454,5.23
+CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL326863,6.87
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1F,CHEMBL317670,6.15
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL107742,6.79
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,CHEMBL419908,6.21
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1,CHEMBL104614,6.05
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1,CHEMBL107020,6.67
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1,CHEMBL104719,7.28
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc21,CHEMBL104138,5.32
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL104716,7.41
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1,CHEMBL326202,6.29
+O=C1Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL322326,5.78
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104788,7.04
+C[C@H]1CN(CC(=O)N2CCc3ccccc32)C[C@@H](C)N1Cc1ccc(Cl)cc1,CHEMBL104756,5.06
+Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL104256,5.82
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1,CHEMBL104155,5.85
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2Cl)CC1,CHEMBL106914,6.08
+C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)N1CCc2ccccc21,CHEMBL107351,5.17
+Cc1ccc(C)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,CHEMBL105304,6.92
+COc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL104579,6.8
+O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104063,5.09
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1,CHEMBL419916,5.72
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL104321,5.28
+COc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL321734,6.65
+Cc1cccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)c1,CHEMBL105011,6.78
+CC(C)c1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL320440,5.75
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1F,CHEMBL104273,7.64
+CC1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1,CHEMBL323022,5.28
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1,CHEMBL107804,5.52
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL104832,7.21
+O=c1sc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL108157,5.92
+CC(c1ccc(Cl)cc1)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL106751,5.9
+CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL321538,6.12
+O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,CHEMBL104498,5.23
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL419356,7.15
+COc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL323525,5.68
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,CHEMBL106208,5.42
+O=C1C(=O)N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL322567,5.91
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc21,CHEMBL104399,5.23
+O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104380,6.01
+CCCN1CCC[C@@H](c2cccc(Br)c2)C1,CHEMBL92817,6.77
+O=S(=O)(Oc1cccc([C@@H]2CCCN(CCc3ccccc3)C2)c1)C(F)(F)F,CHEMBL328119,7.14
+CCCN1CCC[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)C1,CHEMBL329443,6.84
+CCCN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL92183,6.75
+N#Cc1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)c1,CHEMBL94811,7.38
+CCCN1CCC[C@@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL90359,7.32
+CCC(C)N1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL413483,6.87
+CCCN1CCC[C@@H](c2cccc(C=O)c2)C1,CHEMBL92578,6.84
+Fc1ccc(CCN2CCC3(CCc4ccccc4C3)CC2)c(F)c1,CHEMBL150210,6.0
+Fc1ccc(CCN2CCC3(CCc4cccc(F)c4O3)CC2)c(F)c1,CHEMBL149423,6.08
+Fc1ccc2c(c1)CCC1(CCN(C3CCc4ccccc4C3)CC1)O2,CHEMBL423206,5.74
+NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL148058,6.0
+O=C(CCCN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL343411,5.96
+O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2,CHEMBL146595,5.82
+Fc1ccc(CCN2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1,CHEMBL148348,6.31
+OC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1,CHEMBL149510,5.96
+Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1,CHEMBL147431,6.12
+COc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2,CHEMBL357807,8.7
+c1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1,CHEMBL148418,6.28
+NC(=O)c1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL146485,6.19
+O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL149429,5.96
+Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1,CHEMBL147164,6.15
+COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL146233,6.24
+N#Cc1ccccc1S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL146998,6.17
+Fc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1,CHEMBL359270,6.19
+O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175832,6.505
+N#Cc1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL368816,6.06
+O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177401,6.1
+O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177416,6.58
+O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL176109,5.7
+C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1,CHEMBL363452,6.43
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,CHEMBL414838,7.26
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL13647,7.85
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1,CHEMBL299691,6.85
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,5.66
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,5.66
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,6.92
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,6.15
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.24
+COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2,CHEMBL184049,6.8
+CN1CCOc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL184050,6.56
+O=C(c1ccccc1)c1ccccc1OCCN1CCCC1,CHEMBL364586,5.27
+OC(c1ccccc1)c1ccccc1OCCN1CCCC1,CHEMBL185875,5.2
+CN(C)CCOc1ccccc1Cc1ccccc1,CHEMBL186720,5.56
+CCN(CC)CCOc1ccccc1Cc1ccccc1,CHEMBL366265,5.69
+c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,CHEMBL364565,5.99
+c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL184073,5.38
+c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,CHEMBL187367,6.0
+O=C(CCCN1C2CCC1CC(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL537182,6.72
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL553417,6.91
+O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL553327,8.64
+O=C(CN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL556361,5.91
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1,CHEMBL537183,5.98
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1,CHEMBL175838,7.71
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1,CHEMBL367720,7.51
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL180010,7.037000000000001
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,CHEMBL425143,7.36
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,CHEMBL368961,7.34
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,CHEMBL179351,8.1
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,CHEMBL175462,7.18
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL175734,6.757000000000001
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL366904,7.04
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1,CHEMBL302374,7.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,CHEMBL262724,7.43
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,7.51
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,CHEMBL179960,7.74
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1F,CHEMBL177398,8.0
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1,CHEMBL175677,8.06
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL366900,8.21
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,CHEMBL179003,7.99
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1,CHEMBL176884,7.82
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1,CHEMBL175466,7.76
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1I,CHEMBL176212,7.97
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(I)c1,CHEMBL179053,7.55
+COc1ccccc1C(=O)NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL414839,8.43
+COc1cccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL175875,7.41
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccn1,CHEMBL179025,7.77
+COc1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL370713,7.353
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1O,CHEMBL372022,8.18
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],CHEMBL191795,8.13
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,CHEMBL364759,7.66
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1,CHEMBL194493,7.643
+Nc1ccccc1C(=O)NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL426994,7.74
+Nc1cccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL191855,7.54
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,5.92
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,6.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL182379,7.4
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1,CHEMBL183871,6.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1,CHEMBL182652,7.29
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1,CHEMBL362101,7.27
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,7.92
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,7.21
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,6.72
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,7.49
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.17
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.23
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL195856,6.43
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,7.18
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.92
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,8.705
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,6.64
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,6.02
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCC[C@H](O)CC3)CC1,CHEMBL362285,7.67
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCC[C@@H](O)CC3)CC1,CHEMBL181469,8.21
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CC[C@@H](O)CCC3)CC1,CHEMBL179649,7.92
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CC[C@H](O)CCC3)CC1,CHEMBL360457,8.44
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,CHEMBL178803,9.85
+CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL608530,6.445
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL187804,5.1
+Nc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)c1,CHEMBL424808,5.3
+CSc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,CHEMBL182075,5.4
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccccc2)cc1,CHEMBL185156,6.22
+O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1,CHEMBL360394,6.82
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL184388,6.92
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2cccc(F)c2)cc1,CHEMBL183160,5.4
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL366043,5.59
+O=Cc1ccccc1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1,CHEMBL184551,5.51
+O=Cc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,CHEMBL427522,5.43
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL187236,6.08
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL187122,5.92
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL186558,5.82
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL360424,6.01
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL366304,6.05
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL364782,6.0
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1,CHEMBL187113,7.03
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1,CHEMBL426062,7.15
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2cccs2)c1,CHEMBL361035,7.22
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,8.78
+Cc1cccc(N2CCN(CCc3ccc4n[nH]nc4c3)CC2)c1C,CHEMBL184770,7.29
+c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1,CHEMBL363124,7.62
+COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1,CHEMBL183776,8.27
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1,CHEMBL181898,7.55
+c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1,CHEMBL185436,7.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,5.5
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.9
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,5.9
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.1
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL83617,8.33
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2c1sc(C(N)=O)c2Cl,CHEMBL197982,6.54
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL194727,6.93
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL196744,7.755
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1,CHEMBL198993,6.71
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,CHEMBL197162,7.61
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1,CHEMBL197214,6.495
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,CHEMBL197195,7.3
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL194755,7.03
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL195247,7.36
+CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL371289,7.68
+CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21,CHEMBL197870,7.82
+CC1Cc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2NC1=O,CHEMBL197614,7.14
+CC1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL372541,7.09
+O=C1CC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1,CHEMBL438980,7.82
+Cc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)c2c1C(C)CC(=O)N2,CHEMBL440389,7.96
+CC1CC(=O)Nc2c(CCN3CCN(C4=NS(=O)c5ccccc54)CC3)cc(F)cc21,CHEMBL425208,7.04
+Cc1cc(CCN2CCN(c3noc4ccccc34)CC2)c2c(c1)C(C)CC(=O)N2,CHEMBL198599,7.46
+CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL194312,7.23
+CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21,CHEMBL363829,7.26
+CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL194953,7.8
+CC(=O)N1CCC(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL369913,7.77
+COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL262469,7.96
+COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(c5nsc6ccccc56)CC4)c32)c1,CHEMBL199161,8.4
+CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL197677,7.6
+CC(=O)N1CCC(C)c2cc(F)cc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL372811,7.74
+CC(=O)N1CCC(C)c2c(C)ccc(CCN3CCN(c4noc5ccccc45)CC3)c21,CHEMBL197663,7.77
+CC(=O)N1CCC(C)c2cc(F)cc(CCN3CCN(c4noc5ccccc45)CC3)c21,CHEMBL370659,7.54
+CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL439680,7.92
+CC(=O)N1CCC(C)c2c(C)ccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL197990,7.92
+c1cc2c(c(N3CCN(Cc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL195015,7.21
+c1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL196505,7.35
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL196171,7.68
+c1cc2c(c(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL194844,8.29
+c1cc2c(c(N3CCN(CCCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL263329,8.04
+Fc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12,CHEMBL193854,8.09
+Fc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL193501,7.72
+Fc1ccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL369984,7.84
+Fc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL196893,7.97
+COc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL196132,7.82
+Clc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12,CHEMBL365605,7.62
+Clc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL370359,7.5
+Clc1ccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL194240,8.68
+Clc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL194510,7.81
+Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL198107,7.97
+Cc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL372735,7.8
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2,CHEMBL198812,7.69
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2,CHEMBL198040,7.95
+CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1,CHEMBL198041,7.05
+CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1,CHEMBL197839,7.82
+O=C1CCc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)N1,CHEMBL383396,7.94
+O=C1COc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)N1,CHEMBL198069,8.37
+CC1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198070,8.35
+CC1(C)Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL199045,8.13
+CC1Oc2c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)cccc2N(C)C1=O,CHEMBL197943,7.45
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCN2,CHEMBL197665,7.75
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198216,8.06
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198224,9.0
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL370457,8.33
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O,CHEMBL196172,8.28
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O,CHEMBL198357,9.0
+CCCN(CCC)C1CCn2ncc(C=O)c2C1,CHEMBL198174,5.315
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,8.92
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.84
+O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL370652,5.89
+O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL373032,6.3
+Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(-c4cccs4)c3)C2)cc1,CHEMBL381019,7.22
+O=C(N[C@H]1CCN(Cc2ccc(Cl)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL197381,6.64
+COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4cccs4)cc3)C2)c1,CHEMBL427555,5.35
+O=C(N[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1)c1ccc(-c2cccs2)cc1,CHEMBL197225,5.74
+O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL370823,5.82
+O=C(N[C@H]1CCN(Cc2ccccc2F)C1)c1ccc(-c2cccs2)cc1,CHEMBL196866,4.42
+O=C(N[C@H]1CCN(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL198580,4.74
+O=C(N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL199186,4.54
+CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL382850,6.84
+CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1,CHEMBL201584,6.03
+CN1CCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL1204122,7.636
+CN1CCc2ccccc2Cc2ccsc2CC1,CHEMBL201093,6.82
+CN1CCc2ccccc2Cc2ccn(C)c2CC1,CHEMBL201483,6.365
+O=c1[nH]c2[nH]c(-c3ccc(Cl)cc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL199876,5.63
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370136,6.78
+Cc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)[nH]c3[nH]2)cc1,CHEMBL370364,5.76
+O=c1[nH]c2[nH]c(-c3ccccc3Cl)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL443567,6.45
+COc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL197656,6.44
+Cc1ccccc1-c1cc2c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)[nH]c2[nH]1,CHEMBL200802,6.2
+O=c1[nH]c2[nH]c(-c3ccccc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL203362,6.86
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)n[nH]2)CC1,CHEMBL199859,6.89
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,CHEMBL201270,7.43
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1,CHEMBL203302,6.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)OCO3)CC1,CHEMBL201551,7.06
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nccnc3c2)CC1,CHEMBL199498,6.75
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cccc(OC)c3o2)CC1,CHEMBL201698,6.43
+COc1ccc2ccnc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1,CHEMBL201027,6.28
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc5nccnc45)CC3)oc12,CHEMBL201326,5.9
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4[nH]nc5ccccc45)CC3)oc12,CHEMBL202713,7.25
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.66
+CC(C)(C)c1nc(N2CCN(CCCCn3cccnc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL203200,6.35
+Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n(C)c1=O,CHEMBL426473,6.45
+Cn1c(=O)ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL200026,6.21
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C#N)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201509,6.33
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C(F)(F)F)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL382568,6.19
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(Cl)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201240,6.66
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(F)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202827,6.22
+CCc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O,CHEMBL202774,6.83
+Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O,CHEMBL201115,6.49
+CC(C)(C)c1nc(N2CCN(CCCSc3nc(=O)cc[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL439338,6.45
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(N4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201376,7.05
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(N4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL199453,7.09
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL200028,6.77
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL199663,6.52
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202298,6.56
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202229,6.81
+CC(C)(C)c1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202175,6.67
+Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202253,6.51
+CCOc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202072,6.54
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL383188,6.71
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.8
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL383205,6.9
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201232,6.61
+CC(C)(C)c1nc(N2CCN(CCCCN3CCC(=O)CCC3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201481,7.19
+COc1cc2c(cc1OC)N(CCCCN1CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC1)C(=O)CCC2=O,CHEMBL203471,6.33
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCCc4c(O)cccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201318,7.03
+COc1cccc2c1CCCC(=O)N2CCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL202704,6.61
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCSc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL370191,7.08
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL380597,6.93
+CC(C)(C)c1nc(N2CCN(CCCCn3c(=O)cc(O)c4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201386,6.85
+CC(C)(C)c1nc(N2CCN(CCCCn3c(=O)ccc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201743,6.82
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)COc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL382591,6.45
+C[C@@H](CCCN1C(=O)CCc2ccccc21)N1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL203260,6.54
+C[C@H](CCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CN1C(=O)CCc2ccccc21,CHEMBL426111,6.58
+C/C(=C\CN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CN1C(=O)CCc2ccccc21,CHEMBL201400,6.17
+CC(C)(C)c1nc(N2CCN(C/C=C/CN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201557,6.6
+CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1,CHEMBL381936,7.475
+CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1,CHEMBL203047,8.51
+COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2,CHEMBL381946,7.445
+CN1CCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL382010,7.575
+CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1,CHEMBL204098,7.505
+CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1,CHEMBL383451,7.245
+CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1,CHEMBL203637,8.353
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL207871,6.61
+CC(C)(C)c1nc(N2CCN(CCCCCC(=O)NCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL424690,6.76
+CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL208228,6.67
+CCN(CC)C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL202858,7.76
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCC3CCCCC3)CC2)cc(C(F)(F)F)n1,CHEMBL202857,6.8
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL377299,6.63
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL424678,6.86
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL205497,7.23
+CC(C)(C)CNC(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL381514,7.04
+CC(C)(C)NC(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL205264,7.18
+Cc1cccc(=O)n1CCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL203943,6.71
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(Cl)ccc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205238,6.89
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C(F)(F)F)ccc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205498,6.4
+CC(C)(C)c1nc(N2CCN(CCCCn3cccc(C(F)(F)F)c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL206528,6.39
+Cc1cccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL203016,6.77
+COc1cccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL380171,6.77
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL207880,6.28
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C(F)(F)F)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205733,6.64
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C(F)(F)F)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205961,6.03
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(O)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202670,7.59
+Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1,CHEMBL382773,7.2
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,5.59
+c1ccc(N2CCN(Cc3cnn(-c4ccccn4)c3)CC2)cc1,CHEMBL425057,6.553
+C1=C(c2ccccc2)CCN(Cc2cn(-c3ccccc3)nn2)C1,CHEMBL379177,6.81
+c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,CHEMBL210318,5.57
+C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1,CHEMBL378455,7.485
+COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)nn2)CC1,CHEMBL210232,7.055
+c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL211026,5.945
+Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1,CHEMBL377200,6.332999999999999
+c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1,CHEMBL209832,5.035
+Cc1nn(-c2ccccc2)cc1CN1CCN(c2ccccc2)CC1,CHEMBL208018,7.223
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL379602,8.03
+Fc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL210717,7.277
+Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL437490,6.367000000000001
+Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210955,5.6
+c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210405,6.957999999999999
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccn3)c2)CC1,CHEMBL210404,7.437
+CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,CHEMBL284092,7.24
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL8412,6.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,CHEMBL208847,6.925
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL209876,7.465
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL210461,6.755
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1,CHEMBL208274,7.43
+COc1ccccc1N1CCN(Cc2cn3c(-n4cccn4)cccc3n2)CC1,CHEMBL212160,6.39
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-n4cccn4)c3n2)CC1,CHEMBL210551,6.415
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(N4CCOCC4)c3n2)CC1,CHEMBL211118,6.84
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1,CHEMBL210283,5.475
+Clc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1Cl,CHEMBL210341,5.445
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1,CHEMBL211590,7.035
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1,CHEMBL211539,6.72
+COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1,CHEMBL379125,7.14
+COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1,CHEMBL211164,6.87
+CN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1,CHEMBL380287,5.105
+Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl,CHEMBL207543,6.055
+Fc1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,CHEMBL425064,4.285
+Fc1ccc(N2CCN(Cc3cn4ccncc4n3)CC2)cc1,CHEMBL377542,4.18
+Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL211135,5.005
+COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1,CHEMBL378515,7.06
+Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1,CHEMBL209034,6.065
+Fc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL207488,4.96
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL212370,4.81
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1Cl,CHEMBL378680,5.53
+Fc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL380054,4.7
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL377050,6.76
+CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL212782,6.89
+N#CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL376955,6.85
+CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1,CHEMBL377388,6.59
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1C,CHEMBL437687,6.95
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1,CHEMBL426510,7.0
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1,CHEMBL213164,7.33
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1,CHEMBL212784,7.01
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(C)c1,CHEMBL212861,7.16
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(C)c1,CHEMBL212903,7.17
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(C#N)c1,CHEMBL211836,6.9
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL212969,6.77
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL427048,6.66
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL212235,7.2
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1,CHEMBL211732,6.88
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1,CHEMBL215705,6.65
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1,CHEMBL378576,6.77
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL378324,7.19
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(C)c1,CHEMBL215450,7.22
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(C)c(C)c1,CHEMBL212444,6.86
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1,CHEMBL212291,5.74
+CO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1,CHEMBL212292,7.12
+CO/N=C(\CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL210101,7.6
+CO/N=C(/CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL437532,7.71
+CO/N=C(\CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL212891,5.6
+CO/N=C(\c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1,CHEMBL214247,6.0
+CO/N=C(/c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1,CHEMBL441529,6.43
+CO/N=C(/c1ccc(Cl)cc1)C(C)CN1CCN(c2ccccn2)CC1,CHEMBL213004,6.84
+CO/N=C(/c1ccc(Cl)cc1)C(CNOC)CN1CCN(c2ccccn2)CC1,CHEMBL212288,6.79
+O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL214314,6.59
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Oc3ccccc3)c3ccccc32)CC1,CHEMBL214407,6.37
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3-n3ccnc3)c3ccccc32)CC1,CHEMBL212844,5.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CCN(C)CC3)c3ccccc32)CC1,CHEMBL210016,5.42
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CCCCC3)c3ccccc32)CC1,CHEMBL212383,6.67
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3NC3CCCCC3)c3ccccc32)CC1,CHEMBL212186,5.42
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4n3)c3ccccc32)CC1,CHEMBL213443,6.03
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3nccc4ccccc34)c3ccccc32)CC1,CHEMBL213278,6.32
+CCOc1ccc2ccccc2c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL378512,6.56
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4c3)c3ccccc32)CC1,CHEMBL213882,5.88
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL213834,6.34
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccnc3Cl)c3ccccc32)CC1,CHEMBL384500,6.2
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c3ccccc32)CC1,CHEMBL405751,5.68
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccon3)c3ccccc32)CC1,CHEMBL213372,6.34
+CCOc1c(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)sc2ccccc12,CHEMBL378914,6.71
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3sccc3-c3ccccc3)c3ccccc32)CC1,CHEMBL384916,7.11
+CCOc1csc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL437112,6.74
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccsc3)c3ccccc32)CC1,CHEMBL212896,5.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccs3)c3ccccc32)CC1,CHEMBL379874,5.83
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccco3)c3ccccc32)CC1,CHEMBL426868,6.08
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL377756,7.04
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+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,CHEMBL378669,6.3
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL213492,6.42
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL425069,6.47
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(Cl)cc(Cl)c3)c3ccccc32)CC1,CHEMBL427230,6.22
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c3ccccc32)CC1,CHEMBL213881,6.41
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cccc3Cl)c3ccccc32)CC1,CHEMBL386122,6.62
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1,CHEMBL212077,5.19
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212912,6.74
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3F)c3ccccc32)CC1,CHEMBL213477,6.43
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(I)c3)c3ccccc32)CC1,CHEMBL377584,6.46
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(Cl)c3)c3ccccc32)CC1,CHEMBL213084,6.74
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(F)c3)c3ccccc32)CC1,CHEMBL213083,6.04
+COc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL214016,5.95
+Cc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1,CHEMBL213793,6.29
+Cc1ccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL213795,5.82
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)cc3)c3ccccc32)CC1,CHEMBL214142,5.03
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Br)cc3)c3ccccc32)CC1,CHEMBL213775,5.62
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3)c3ccccc32)CC1,CHEMBL212608,5.94
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C3CCCCC3)c3ccccc32)CC1,CHEMBL213388,5.75
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)/C=C/c3ccccc3)c3ccccc32)CC1,CHEMBL386424,5.8
+COc1ccc(CCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1Cl,CHEMBL215950,6.24
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)CCc3ccccc3)c3ccccc32)CC1,CHEMBL215611,6.21
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)CCC3CCCC3)c3ccccc32)CC1,CHEMBL211461,5.71
+CCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL212597,6.4
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C(F)(F)F)c3ccccc32)CC1,CHEMBL212486,5.72
+CN1CCN(C2=Nc3cc(Cl)ccc3N(N)c3ccccc32)CC1,CHEMBL215140,6.19
+CCCC(CCC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL215581,5.73
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL212807,7.01
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1,CHEMBL212936,7.44
+Cc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL379942,6.76
+COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC,CHEMBL213110,6.57
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccc(Cl)cc32)CC1,CHEMBL212700,6.54
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1,CHEMBL213466,6.57
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1,CHEMBL378341,7.16
+COc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)c1,CHEMBL384069,6.86
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C#N)c3)c3ccc(Cl)cc32)CC1,CHEMBL212402,6.76
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(C#N)cc3)c3ccc(Cl)cc32)CC1,CHEMBL378648,6.71
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+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1,CHEMBL214503,6.64
+Cc1ccccc1C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL385295,5.8
+COc1cc(C(=O)NN2c3ccccc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC,CHEMBL377420,5.49
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccc(Cl)cc32)CC1,CHEMBL213472,5.9
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1,CHEMBL213145,6.12
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1,CHEMBL213193,6.38
+COc1cccc(C(=O)NN2c3ccccc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)c1,CHEMBL213239,5.86
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3cccc(C#N)c3)c3ccc(Cl)cc32)CC1,CHEMBL213238,5.93
+CN1CCN(C2=Nc3ccccc3N(NC(=O)c3ccc(C#N)cc3)c3ccc(Cl)cc32)CC1,CHEMBL213201,5.71
+FC(F)(F)Oc1cccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c1,CHEMBL215669,8.47
+FC1(F)Oc2cccc(CN3CCN(C4=Nc5cc(Cl)ccc5Nc5ccccc54)CC3)c2O1,CHEMBL384634,8.1
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc4c(c3)OCCO4)CC1)c1ccccc1N2,CHEMBL213577,7.54
+Cc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(C)c1,CHEMBL378301,7.19
+Clc1ccc2c(c1)N=C(N1CCN(Cc3cccc4c3OCO4)CC1)c1ccccc1N2,CHEMBL211915,7.1
+Fc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(F)c1,CHEMBL213200,6.75
+CC(C)N1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL379593,6.0
+CCCN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL213335,6.39
+CCN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL215842,6.15
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccncc3)c3ccccc32)CC1,CHEMBL384248,4.55
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccnc3)c3ccccc32)CC1,CHEMBL215997,4.9
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccccc32)CC1,CHEMBL212438,5.89
+COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc(OC)c1OC,CHEMBL379875,5.25
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(F)cc3C(F)(F)F)c3ccccc32)CC1,CHEMBL437917,5.79
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccccc32)CC1,CHEMBL213668,6.08
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(F)c3F)c3ccccc32)CC1,CHEMBL384269,6.27
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Br)c3ccccc32)CC1,CHEMBL377877,6.1
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1,CHEMBL380236,5.87
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C#N)c3)c3ccccc32)CC1,CHEMBL212905,5.44
+COc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL379560,5.95
+COc1ccccc1CNN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL211910,6.69
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc32)CC1,CHEMBL212384,5.41
+Cc1ccccc1S(=O)(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL377452,7.2
+Cc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL209805,6.47
+Cc1ccccc1C(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL378543,5.31
+c1ccc(CCc2ccccc2OCc2ccccc2)cc1,CHEMBL215010,5.3
+COc1cccc(CCc2ccccc2OCc2cccnc2)c1,CHEMBL217281,5.3
+c1ccc(CCc2ccccc2OCc2cccnc2)cc1,CHEMBL217425,5.3
+COc1cccc(CCc2ccccc2OCc2ccccn2)c1,CHEMBL387052,5.3
+c1ccc(CCc2ccccc2OCc2ccccn2)cc1,CHEMBL216198,5.3
+COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1,CHEMBL217886,5.3
+COc1cccc(CCc2ccccc2OCc2ccccc2)c1,CHEMBL214739,5.3
+C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@@H]2OC(=O)C(=C)[C@H]2CCCC)C[C@@H](O)[C@H](C)[C@@H]1O,CHEMBL384538,5.3
+CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21,CHEMBL1203924,6.47
+Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@H]1CO2,CHEMBL384046,5.17
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CO2,CHEMBL387250,5.6
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,5.575
+Cc1cccc(C(=O)NCN2CCC(c3ccccn3)CC2)c1,CHEMBL216794,5.46
+Cc1cccc(C(=O)NCN2CCC(c3ccccc3)CC2)c1,CHEMBL220189,6.63
+Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1,CHEMBL375596,5.54
+COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1,CHEMBL376092,7.57
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,CHEMBL221652,7.685
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,CHEMBL221640,7.87
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1,CHEMBL218150,5.64
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc(C#N)cc3[nH]2)CC1,CHEMBL218638,6.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1,CHEMBL218444,6.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1,CHEMBL220700,6.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3o2)CC1,CHEMBL376020,6.89
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2o1,CHEMBL376445,5.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1,CHEMBL221681,7.02
+C#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)sc2c1,CHEMBL218368,6.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3s2)CC1,CHEMBL218318,7.17
+C#Cc1ccc2sc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL221397,6.39
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL374749,6.89
+COc1ccc(C(=O)NCCCCN2CCN(c3ccccc3Cl)CC2)cc1OC,CHEMBL221549,6.55
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,CHEMBL219274,6.33
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,CHEMBL218203,6.48
+Clc1ccc(N2CCN(Cc3cnn4c(I)cccc34)CC2)cc1,CHEMBL218787,5.12
+N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1,CHEMBL218151,6.47
+CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL425285,8.02
+Cc1c(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL221897,8.0
+Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL373873,7.63
+c1ccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL221814,6.66
+c1ccc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL221600,7.42
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1,CHEMBL231326,6.1
+CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231350,7.3
+CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231349,8.2
+COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231249,8.4
+CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231648,7.4
+CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231546,7.2
+CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL397476,7.0
+Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL395525,7.8
+Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL230930,7.0
+Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1,CHEMBL230070,6.5
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2CC1,CHEMBL388674,6.4
+Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1,CHEMBL230069,7.5
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1,CHEMBL231640,6.3
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1,CHEMBL231431,7.3
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231430,6.8
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL231334,7.5
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1,CHEMBL266018,6.8
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)CC3)cc1,CHEMBL231333,6.4
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1,CHEMBL388247,6.05
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1,CHEMBL395501,6.7
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390129,6.81
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390473,7.03
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228659,6.75
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228658,6.98
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228608,6.97
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL228607,7.06
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL387833,6.6
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL228606,6.55
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL538397,6.59
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL228554,6.98
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL387832,6.81
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228553,6.89
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228496,7.07
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228494,7.43
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228445,7.11
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL390192,7.09
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL442059,7.16
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL228390,7.64
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL439197,7.24
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228389,7.08
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228334,6.95
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL228333,7.15
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL389104,7.18
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228332,6.8
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228280,6.73
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL228279,6.81
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL388897,6.89
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL228278,6.88
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL229085,6.84
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL229084,7.1
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL390184,7.1
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL388361,7.26
+COc1ccc(C2=NO[C@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL243012,7.1
+CCOc1ccccc1N1CCN(CCC[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243225,7.15
+CCOc1ccccc1N1CCN(CCC[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243224,7.34
+COc1ccc(C2=NO[C@@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL390181,6.4
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL391107,6.72
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL233790,7.1
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL232609,7.21
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL391017,7.37
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL232607,7.04
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL391016,7.26
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL234854,7.82
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234650,7.15
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234649,7.62
+O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL234476,6.37
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1,CHEMBL234474,6.23
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC,CHEMBL233584,6.91
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,CHEMBL394139,6.45
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233816,6.795
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233582,7.38
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233410,6.89
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL393105,6.57
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL233407,6.7
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL393104,7.12
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL391035,7.38
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234609,7.28
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234423,7.22
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234422,7.74
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429623,7.35
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234232,8.72
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234231,6.71
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429076,7.44
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233849,7.43
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234607,7.11
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL392066,6.86
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233814,6.76
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233623,7.3
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL393725,6.96
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL234194,7.21
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL236832,7.09
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL236621,7.21
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL392377,7.24
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL236830,6.37
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236618,7.85
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236617,6.91
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL428197,7.57
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL234874,7.16
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233416,7.41
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233592,6.93
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232780,7.19
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232779,7.13
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232593,7.07
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232592,7.29
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL234681,7.51
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL399195,6.83
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234680,8.62
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234679,7.26
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL234669,7.47
+O=C(CCCCCN1CCN(c2ccccc2F)CC1)NC1CCCc2ccccc21,CHEMBL244577,6.53
+CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244161,6.97
+CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243955,7.49
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL243954,6.65
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243744,7.82
+CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243743,7.22
+CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243742,6.91
+CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243523,6.76
+O=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL222188,6.0
+O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21,CHEMBL222477,7.29
+O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21,CHEMBL225571,6.17
+N#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL221513,6.58
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21,CHEMBL225512,6.01
+CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389718,7.17
+Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222755,6.84
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL224820,7.58
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,8.14
+COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1,CHEMBL185271,5.55
+O=C(Cc1ccccc1)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1,CHEMBL244372,6.11
+CC(C)C(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1,CHEMBL394569,6.21
+CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)c(C)c3)CC2)c1,CHEMBL244004,5.21
+CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1,CHEMBL243794,5.85
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1,CHEMBL363548,6.72
+Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1,CHEMBL242004,5.13
+Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C,CHEMBL242003,6.4
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1,CHEMBL245231,6.33
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1,CHEMBL389129,5.54
+COc1ccc(Oc2ccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)cc2)cc1,CHEMBL245229,5.85
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)c1,CHEMBL245010,6.96
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1,CHEMBL389128,6.92
+COc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1,CHEMBL390212,6.0
+Cc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1,CHEMBL244374,5.89
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,5.98
+O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL231156,7.27
+COc1ccccc1N1CCN(CCC(O)CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL231055,7.16
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL394862,7.08
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL390253,7.55
+CC(=O)OC(CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL242434,6.87
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL242218,6.6
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL396024,6.5
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,6.57
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL244989,7.32
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL394541,7.16
+O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244775,5.94
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL244774,7.59
+Cc1cccnc1-c1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL244773,7.04
+Cc1cccc(-c2ccc(C(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,CHEMBL398175,6.98
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,CHEMBL244562,7.63
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL241973,7.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,7.26
+CN1CCCc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL389356,6.29
+COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,CHEMBL397207,5.99
+CN1CCCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL394779,7.2
+COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,CHEMBL231374,5.86
+Oc1ccc2c(c1)CCCNCCc1ccccc1C2,CHEMBL396950,6.07
+COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,CHEMBL231171,6.76
+CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,CHEMBL389559,6.42
+COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,CHEMBL276778,7.06
+CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL231070,7.255
+COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,CHEMBL389357,7.605
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1,CHEMBL230872,7.31
+Cc1cccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12,CHEMBL230218,6.25
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1,CHEMBL231057,6.8
+Cc1ccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1,CHEMBL231260,6.95
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1,CHEMBL231158,7.28
+Cc1ccc2nc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1,CHEMBL231183,6.83
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1,CHEMBL231182,7.33
+Clc1cccc(N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)c1Cl,CHEMBL387784,7.17
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1,CHEMBL231181,6.75
+Cc1cccn2cc(-c3ccc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12,CHEMBL231080,6.9
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1,CHEMBL387569,7.31
+Cc1ccn2cc(-c3ccc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1,CHEMBL231079,7.08
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1,CHEMBL231078,7.11
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1,CHEMBL230972,7.11
+Clc1cccc(N2CCN(CCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)c1Cl,CHEMBL230971,7.36
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)n(C)n1,CHEMBL390649,6.3
+COc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cn1,CHEMBL244945,5.9
+COc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cc1,CHEMBL242600,6.7
+COc1cccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)c1,CHEMBL242599,8.1
+COc1ccccc1-c1nnc(SCCCN2CCc3ccc(-c4cc(C)on4)cc3CC2)n1C,CHEMBL390429,7.1
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCOCC4)n2C)CC3)no1,CHEMBL242598,5.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCC(C)CC4)n2C)CC3)no1,CHEMBL243860,6.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCCC4)n2C)CC3)no1,CHEMBL243859,6.6
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(C)(C)C)n2C)CC3)no1,CHEMBL243474,6.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(C)C)n2C)CC3)no1,CHEMBL243901,6.2
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(F)(F)F)n2C)CC3)no1,CHEMBL243900,6.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccc(F)c4)n2C)CC3)no1,CHEMBL244280,5.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(Cl)c(Cl)c4)n2C)CC3)no1,CHEMBL397222,6.3
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(Cl)cc4)n2C)CC3)no1,CHEMBL244279,6.4
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccc(Cl)c4)n2C)CC3)no1,CHEMBL244278,6.7
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccccc4Cl)n2C)CC3)no1,CHEMBL244087,6.5
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccs4)n2C)CC3)no1,CHEMBL244086,6.6
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccncc4)n2C)CC3)no1,CHEMBL244085,6.0
+Cc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cc1,CHEMBL395742,6.4
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)no1,CHEMBL243897,6.3
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C#N)cc4)n2C)CC3)no1,CHEMBL243896,6.0
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccccc4)n2C)CC3)no1,CHEMBL243709,6.4
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc5nc(C)c(C)nc5c4)n2C)CC3)no1,CHEMBL243708,5.2
+Cc1ccc2cc(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)ccc2n1,CHEMBL395741,5.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)cccc2n1,CHEMBL243707,6.0
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccn4C)n2C)CC3)o1,CHEMBL244277,5.9
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc5[nH]ccc5c4)n2C)CC3)o1,CHEMBL244276,6.2
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cc5ccccc5[nH]4)n2C)CC3)o1,CHEMBL397429,6.0
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccs4)n2C)CC3)o1,CHEMBL244275,6.6
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,CHEMBL243712,7.9
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,8.4
+O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1,CHEMBL240774,6.97
+COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1,CHEMBL394080,6.465
+O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL268371,6.435
+O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL395933,6.805
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL240377,6.22
+O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccccc2C1,CHEMBL240589,5.9
+COc1ccccc1NC1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL241225,6.79
+COc1ccccc1NC1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL392791,5.64
+COc1ccccc1N(C(=O)c1ccccc1)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL241018,5.34
+COc1ccccc1N(C(C)=O)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL238875,4.87
+O=C(NCCCCN1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL392579,5.8
+O=C(NCCCCN1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL239923,6.15
+O=C1c2ccccc2C(=O)N1CCCCN1CCC(N(Cc2ccccc2)c2ccccc2)CC1,CHEMBL239708,6.89
+O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc2ccccc2s1,CHEMBL239706,6.07
+O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1,CHEMBL239493,6.6
+O=C1c2ccccc2C(=O)N1CCCCN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL393775,5.94
+O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1)C1CCCCC1,CHEMBL239067,6.59
+O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1)c1cccs1,CHEMBL239066,6.3
+O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1)c1cc2ccccc2s1,CHEMBL393774,5.31
+O=C(/C=C/c1ccccc1)NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL239065,6.37
+O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1)c1ccc2ccccc2c1,CHEMBL238859,5.88
+O=C1c2ccccc2C(=O)N1CCCCN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL238858,6.09
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL391120,6.21
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1,CHEMBL240564,6.01
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL391895,6.5
+COc1ccccc1C(c1ccccc1)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL240600,6.2
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL436998,6.18
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL401224,6.2
+O=C(/C=C/c1ccccc1)NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL401223,6.79
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL394189,6.87
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)C1CCCCC1,CHEMBL239539,6.72
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL241660,6.8
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1,CHEMBL241659,6.0
+O=C(/C=C/c1ccccc1)NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL241455,6.02
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL394019,6.23
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1,CHEMBL429462,6.36
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL241027,6.21
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL391057,6.23
+O=C(/C=C/c1ccccc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL241026,6.19
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL240588,6.34
+O=C1c2ccccc2C(=O)N1CCCCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL240587,6.65
+O=C1c2ccccc2C(=O)N1CCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL240379,5.93
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL240378,6.25
+C#Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL241631,7.24
+C#Cc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL239733,7.465
+C#Cc1ccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL393365,7.8
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,CHEMBL240584,7.54
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241436,6.65
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL392437,7.72
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241641,6.095
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL394292,7.695
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL391256,6.98
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL241212,6.7
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241211,5.885
+C#Cc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL394473,7.0
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241210,5.165
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL238402,6.94
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL438673,6.72
+CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL238401,8.57
+CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL429453,6.95
+OC1(c2ccccc2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL392822,6.42
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1,CHEMBL247058,8.26
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL401031,7.62
+CCCCCCn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL246855,6.73
+Cn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL400827,7.53
+CSc1ccc(C2(O)CCN(Cc3coc4ccccc34)CC2)cc1,CHEMBL246854,7.27
+OC1(c2ccc(Cl)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246644,7.68
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246643,7.68
+OC1(c2ccc(Cl)cc2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL394066,6.26
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL246642,6.36
+Cc1[nH]c2ccccc2c1CN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL246439,7.81
+C=CCOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL400826,6.78
+COC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246438,7.17
+OCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246437,5.63
+CC(=O)NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399601,5.7
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399396,7.23
+COC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246231,7.22
+N#CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246230,6.7
+FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL394065,6.92
+CC(=O)NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246021,7.08
+NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL430198,6.74
+CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246020,6.0
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)C1,CHEMBL245816,5.37
+OC1(Cc2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245815,5.54
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL393027,6.7
+OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245615,7.01
+CCCCCCOc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL398368,6.8
+COc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL245614,6.75
+Oc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL392823,5.27
+OC1(c2ccc(F)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246849,6.9
+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246848,6.97
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246637,8.16
+OC1(c2cccc(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL396092,6.89
+OC1(c2cccc(Cl)c2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL397770,7.58
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,5.9
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,5.6
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,5.5
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,5.7
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,5.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,5.9
+COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1,CHEMBL245764,8.77
+CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL245571,7.13
+COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2,CHEMBL396561,7.64
+CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1,CHEMBL245570,7.39
+COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3,CHEMBL396560,7.92
+COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1,CHEMBL240888,4.51
+CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1,CHEMBL392888,4.23
+CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21,CHEMBL240025,5.8
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2,CHEMBL392887,5.77
+CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL429644,5.51
+CCCCSC1=CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL241283,5.09
+CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241103,5.77
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2,CHEMBL241102,4.92
+COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL241101,4.85
+CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL240023,4.38
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2,CHEMBL392970,4.85
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2,CHEMBL240022,4.96
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2,CHEMBL240021,4.27
+CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241281,5.62
+COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2,CHEMBL391190,5.72
+c1ccc2c3c([nH]c2c1)C(Cc1ccc2c(c1)OCO2)NCC3,CHEMBL328476,5.34
+COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL393275,5.82
+COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1,CHEMBL319005,5.8
+COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL241082,4.6
+Oc1cccc(C2NCCc3c2[nH]c2ccccc32)c1,CHEMBL392401,4.06
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)ccc1OC,CHEMBL397592,7.605
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,CHEMBL240106,9.065
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC,CHEMBL397103,7.835
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC,CHEMBL241169,9.15
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,CHEMBL76402,8.995
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1O,CHEMBL267723,8.38
+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC,CHEMBL428561,7.52
+CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2c(O)cccc2C1,CHEMBL252539,7.84
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL252343,7.04
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(N)cc2C1,CHEMBL252342,6.2
+CCCN(CCCCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)c(O)cc2C1,CHEMBL254203,7.66
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)c(O)cc2C1,CHEMBL254202,7.15
+Oc1ccc2c(c1)CC(N(CCc1cccs1)CCN1CCN(c3ccccc3)CC1)CC2,CHEMBL254199,7.61
+CCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL254198,6.78
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)ccc2C1,CHEMBL253992,6.19
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1,CHEMBL252430,8.3
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1,CHEMBL252429,8.0
+CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252030,7.82
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,CHEMBL398711,8.1
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1,CHEMBL251834,8.52
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1,CHEMBL398744,8.3
+O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252201,7.48
+O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253878,7.59
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1,CHEMBL398619,8.22
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1,CHEMBL442290,8.22
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1,CHEMBL253439,8.3
+Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1,CHEMBL398618,7.82
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1,CHEMBL253233,7.66
+CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400236,7.17
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1,CHEMBL253024,7.68
+CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400235,7.57
+CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253022,7.47
+CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252818,7.66
+NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL404000,7.68
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F,CHEMBL252816,8.0
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL271097,6.2
+CCc1nc2cc3c(c(C)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL269994,6.2
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL256481,6.8
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL257369,6.0
+CCc1nc2cc3c(c(Br)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256482,6.4
+CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256477,6.4
+Cc1cc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2cn1,CHEMBL273199,6.5
+Fc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1,CHEMBL270056,6.57
+Oc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL272602,5.34
+FCCOc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1,CHEMBL272853,4.41
+FCCOc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1,CHEMBL405260,7.22
+FCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL272873,4.14
+FCCOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL411437,6.78
+Brc1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1,CHEMBL272396,6.16
+Fc1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1,CHEMBL405292,5.62
+Brc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1,CHEMBL272395,6.75
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCF,CHEMBL256492,6.51
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)cc1OC,CHEMBL256637,6.12
+FCCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL255163,6.23
+FCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL272073,5.96
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF,CHEMBL404888,4.68
+COc1cc(CN2CCN(c3ccccc3OC)CC2)c(OCCF)cc1OC,CHEMBL270406,7.03
+COc1ccccc1N1CCN(Cc2cccc(OCCF)c2)CC1,CHEMBL270408,7.24
+COc1ccccc1N1CCN(Cc2ccc(OCCF)cc2)CC1,CHEMBL271513,6.92
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(C)(F)F)nc4c3CC2)n1C,CHEMBL437792,7.8
+CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1,CHEMBL256041,6.83
+CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1,CHEMBL256804,7.085
+COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1,CHEMBL256853,6.295
+CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1,CHEMBL257077,7.025
+COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL272340,6.225
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,6.02
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,6.48
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,6.02
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,7.0
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,6.75
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,7.36
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,7.01
+O=C(CCCN1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(F)cc1,CHEMBL476934,6.77
+O=C(CCCN1CC2CCC(C1)N2c1ccccc1)c1ccc(F)cc1,CHEMBL476933,6.81
+Oc1ccc2c(c1)CCNCCc1ccccc1C2,CHEMBL459871,6.41
+CCN1CCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL508399,7.11
+CN1CCc2c3c(cc4nc(N)sc24)-c2c(ccc(O)c2O)C[C@H]31,CHEMBL520610,6.48
+COc1cccc(CCc2ccccc2OCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL456647,5.2
+COc1cccc(CCc2ccccc2OCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL516334,4.17
+COc1cccc(CCc2ccccc2OCCCN2CCN(c3ncccn3)CC2)c1,CHEMBL456675,4.7
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,CHEMBL465014,6.92
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc3nonc3c2)CC1,CHEMBL456232,7.05
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1,CHEMBL514562,6.61
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1,CHEMBL456233,8.23
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc2nonc2c1,CHEMBL515535,7.75
+O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1,CHEMBL458758,6.71
+COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1,CHEMBL514908,6.88
+COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1,CHEMBL458354,5.87
+CCCCNC(=O)c1ccc2c(c1)[C@H]1OCCN(CCC)[C@@H]1CC2,CHEMBL519688,5.34
+CCCN1CCO[C@@H]2c3cc4c(=O)[nH]ccc4cc3CC[C@H]21,CHEMBL482556,5.92
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCOC4=O,CHEMBL485325,5.83
+CCCN1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21,CHEMBL485029,5.73
+CCCN1CCO[C@@H]2c3cc(C(=O)NCc4ccc(OC)cc4)ccc3CC[C@H]21,CHEMBL485027,5.47
+CCCN1CCO[C@H]2c3cc4c(cc3CC[C@@H]21)CNC4=O,CHEMBL485127,6.3
+CCCN1CCO[C@@H]2c3cc(C(=O)NC)ccc3CC[C@H]21,CHEMBL484170,5.1
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCNC4=O,CHEMBL484732,6.11
+CCCN1CCOC2c3cc(C(N)=O)ccc3CCC21,CHEMBL449250,6.12
+CCCN1CCO[C@@H]2c3cc(C(N)=O)ccc3CC[C@H]21,CHEMBL484599,5.92
+CCCN1CCO[C@@H]2c3cc(C(C)=O)ccc3CC[C@H]21,CHEMBL482978,5.51
+CCCN1CCO[C@@H]2c3cc(C#N)ccc3CC[C@H]21,CHEMBL485352,6.1
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CNC4=O,CHEMBL484598,6.08
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)COC4=O,CHEMBL485128,5.69
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,5.28
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,5.31
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,5.29
+CN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL465054,7.06
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL517028,8.42
+Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1,CHEMBL338337,6.27
+Cc1ccc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1,CHEMBL492033,6.29
+Cc1ccc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)c(C)c1,CHEMBL523993,6.03
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL483593,6.55
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL484357,5.295
+C#CC1=CCC(N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL484358,7.385
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL485384,6.165
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL491466,6.71
+CC#CC1=CCC(N(CCC)CCCCn2cc(C)nn2)CC1,CHEMBL484203,5.535
+CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL484204,5.035
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1,CHEMBL485227,5.265
+Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)CC3c2cccc(C)c2)c1,CHEMBL484538,6.68
+Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1,CHEMBL520821,7.54
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,6.5
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,5.2
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12,CHEMBL3084524,8.85
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12,CHEMBL3084523,8.25
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12,CHEMBL3084522,7.93
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12,CHEMBL3084521,8.92
+COc1ccc2occ(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(Cl)cc3)C4)c2c1,CHEMBL3084520,8.82
+O[C@]1(c2ccc(Br)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084519,8.82
+O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084518,8.31
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084517,7.4
+O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084516,8.77
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,8.97
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084514,6.55
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084513,7.53
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,7.89
+COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(SC)cc3)C4)c2c1,CHEMBL3084511,6.26
+COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(Cl)cc3)C4)c2c1,CHEMBL3084510,7.4
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1[nH]nc2ccccc12,CHEMBL3084509,6.65
+CSc1ccc([C@@]2(O)C[C@@H]3CC[C@H](C2)N3Cc2c[nH]c3ccccc23)cc1,CHEMBL3084508,6.25
+COc1ccccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084507,5.68
+O[C@]1(c2ccc3ccccc3c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084506,6.71
+O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084505,7.38
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084504,6.26
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,7.45
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL143022,6.82
+CCOC(=O)c1oc2c(c1C)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL459930,6.67
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2oc(-c3ccccc3)cc21,CHEMBL516809,7.92
+COC(=O)c1coc2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL461627,7.07
+O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL523680,7.8
+O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL492689,7.38
+O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL164471,7.34
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL159929,6.14
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL143027,7.79
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL522194,7.04
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL494661,8.11
+CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL494458,6.14
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL521687,7.52
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494512,6.51
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494312,7.7
+N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL522691,6.85
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL493909,8.28
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL493709,6.3
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL522343,7.68
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1,CHEMBL494709,6.73
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL495321,7.19
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL495120,6.65
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492872,8.04
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1,CHEMBL492871,6.3
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492691,7.48
+COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492690,7.66
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492282,8.89
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCc2ccccc2C1,CHEMBL492480,6.44
+CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL493305,7.4
+COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494316,6.14
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494119,7.19
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C1,CHEMBL494118,7.03
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL523381,7.02
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,6.59
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL457957,6.04
+CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459350,7.0
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.06
+CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517244,6.84
+CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459373,7.39
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,8.53
+CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517407,7.28
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,CHEMBL464811,6.55
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,9.055
+O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL455288,7.33
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1c[nH]c2ncccc12,CHEMBL514590,6.23
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12,CHEMBL460854,7.28
+Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL460223,6.01
+O=C(CCCN1CC2CC1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL514591,6.77
+Clc1ccc(N2CC3CC2CN3Cc2c[nH]c3ncccc23)cc1,CHEMBL514747,7.21
+c1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1,CHEMBL460644,5.93
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL498565,6.29
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL498774,6.67
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL497338,6.84
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL445977,6.58
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,6.3
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,7.2
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,5.57
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,5.42
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1,CHEMBL62919,7.21
+COc1ccccc1N1CCN(CCCN2CCCc3ccccc3C2=O)CC1,CHEMBL476641,6.1
+O=C1c2ccccc2CCCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477055,6.66
+COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1,CHEMBL477250,7.912999999999999
+O=C1c2ccccc2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477646,7.94
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL514382,7.45
+COc1cccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1,CHEMBL478688,6.8
+COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1,CHEMBL477206,8.557
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ccccn2)CC1,CHEMBL476185,6.64
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ncccn2)CC1,CHEMBL476393,6.82
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL476394,7.44
+COc1ccccc1N1CCN(CCCCCN2CCc3ccccc3C2=O)CC1,CHEMBL476808,7.69
+CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL550222,7.615
+CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL561763,8.755
+COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1,CHEMBL562620,6.505
+Clc1ccc(N2CCN(CCCCCc3cc4ccccn4n3)CC2)cc1,CHEMBL561622,6.73
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL551964,5.88
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,CHEMBL560177,7.0
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL559029,7.3
+CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL540241,7.1
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,CHEMBL561512,8.2
+N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,CHEMBL562176,6.1
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL550502,6.6
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,CHEMBL565017,7.4
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,CHEMBL562983,6.8
+CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL559386,6.5
+N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL559856,7.0
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,CHEMBL556272,7.5
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,CHEMBL565031,6.8
+CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,CHEMBL564298,6.2
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,CHEMBL556478,6.6
+Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,CHEMBL552460,6.3
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12,CHEMBL563247,5.9
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1,CHEMBL559004,6.0
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,CHEMBL571229,6.3
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,CHEMBL552366,6.6
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,CHEMBL552367,6.1
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,CHEMBL551386,6.4
+CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,CHEMBL552371,7.7
+CC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL561054,7.6
+CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL551914,7.8
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1,CHEMBL569846,7.4
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1,CHEMBL560574,7.9
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,CHEMBL562624,7.0
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,CHEMBL559919,6.8
+N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,CHEMBL554073,6.0
+COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,CHEMBL559920,6.8
+CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,CHEMBL571456,6.5
+CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,CHEMBL549894,6.6
+COc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,CHEMBL550358,5.6
+CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL560715,6.7
+CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL571221,6.3
+COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1,CHEMBL558838,5.565
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1,CHEMBL563614,5.59
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1,CHEMBL564709,6.695
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)ncn23)CC1,CHEMBL561262,4.34
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)ncn34)CC2)cc1,CHEMBL550920,4.965
+COc1ccccc1N1CCN(Cc2cc3c(=O)nc(N(C)C)[nH]c3[nH]2)CC1,CHEMBL552268,6.83
+Clc1nccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c12,CHEMBL559868,5.565
+Cc1cc2nc(C)c(CN3CCN(c4ccccc4)CC3)n2c(C)n1,CHEMBL550392,5.015
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1,CHEMBL554692,4.415
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2c(C)n1,CHEMBL563078,5.37
+Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2c(C)n1,CHEMBL562384,4.885
+Cc1cc2nc(C)c(CN3CCN(c4ccc(F)cc4)CC3)n2c(C)n1,CHEMBL549638,5.395
+COc1ccccc1N1CCN(Cc2cnc3cc(C)nc(C)n23)CC1,CHEMBL563109,6.065
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL556288,6.575
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c2c1=O,CHEMBL564688,6.33
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccn4)CC3)c[nH]c2c1=O,CHEMBL551199,6.695
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1=O,CHEMBL559399,6.24
+Cn1c(N2CCOCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL561123,6.05
+CCN(CC)CCN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL563635,7.6
+COC[C@@H]1CCCN1N1CCN(c2cccc(Cl)c2)C1=O,CHEMBL555744,7.1
+CC1(C)C[C@@H]2C[C@@](C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,CHEMBL563563,7.0
+O=C1N(CCN2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1,CHEMBL563860,8.4
+COCC1[C@@H]2CC[C@H]1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL541435,6.5
+C[C@@]12CC(c3ccccc3)C[C@@H](C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL551927,7.8
+O=C1N(CCN2C[C@H]3CC[C@H](CC3)C2)CCN1c1cccc(Cl)c1,CHEMBL565075,7.6
+CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL564930,7.5
+O=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,CHEMBL562464,7.6
+O=C1N(CCN2[C@H]3CCC[C@@H]2CC3)CCN1c1cccc(Cl)c1,CHEMBL563580,8.3
+COc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,CHEMBL556496,7.6
+O=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1,CHEMBL557110,7.1
+O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,CHEMBL561128,6.6
+COc1cccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,CHEMBL563926,7.3
+COc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC,CHEMBL554693,7.0
+O=C1N(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CCN1c1cccc(Cl)c1,CHEMBL561326,6.3
+CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1,CHEMBL554738,7.3
+Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1,CHEMBL549438,6.8
+O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,CHEMBL559873,8.5
+CC1(C)[C@@H]2CC[C@]13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C3C2,CHEMBL562833,6.5
+CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL563274,6.9
+CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL558058,7.7
+Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1,CHEMBL564948,6.0
+COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,CHEMBL563435,6.9
+Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,CHEMBL560270,6.6
+CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL562948,6.7
+CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL562836,6.2
+CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL564347,5.8
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574595,7.41
+COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL585740,6.94
+Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5nsc6ccccc56)CC4)nn3)CCc3cc(O)c(O)cc32)c1,CHEMBL585741,6.7
+COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1,CHEMBL582945,7.1
+COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1,CHEMBL574700,7.72
+O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL572379,7.32
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21,CHEMBL575760,6.2
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,CHEMBL572708,6.8
+CSc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL566508,7.49
+CNc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL583772,6.63
+CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL576756,7.31
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2nc(-c3ccccc3)ncc21,CHEMBL575788,7.47
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7cccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)c7)nn6)cc5)cc4)nn3)c2)CC1,CHEMBL574569,4.91
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7ccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)cc7)nn6)cc5)cc4)nn3)cc2)CC1,CHEMBL574534,5.905
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL514885,6.58
+CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL570188,6.57
+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL571992,6.57
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL577073,6.96
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL457025,7.59
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL569746,7.32
+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569322,7.66
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL456825,7.39
+CCCN(CCN1CCN(c2cccc3ncccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL569107,7.24
+CCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569747,7.87
+CCCN(CCN1CCN(c2ccc3ccccc3c2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569003,8.05
+CCCN(CCN1CCN(c2cccc3ncccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL568822,8.28
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(cccc2OC)C1,CHEMBL569977,8.43
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL570187,8.15
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)C1CCc2c(cccc2OC)C1,CHEMBL568801,8.31
+CN(CCN1CCN(C2COOC2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL567919,5.8
+O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL565935,7.0
+O=C1Cc2c(ccc3c2OC[C@H](CNCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL566155,7.44
+O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL566379,7.325
+O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1,CHEMBL569251,8.52
+O=C1Cc2c(ccc3c2OC[C@H](CNCCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1,CHEMBL1237165,7.62
+O=c1[nH]c2cccc(N3CCN(CC4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1,CHEMBL566380,6.66
+O=c1[nH]c2cccc(N3CCN(CCCC4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1,CHEMBL568103,7.3
+O=c1[nH]c2cccc(OC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL567454,6.85
+O=c1[nH]c2cccc(OC3CCN(CCC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL565553,6.51
+O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL566396,7.55
+O=c1[nH]c2cccc(OCC3CCN(CCC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL569476,6.14
+O=c1[nH]c2cccc(CN3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL566172,6.92
+O=C1Cc2c(cccc2N2CCN(CC3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1,CHEMBL571464,7.82
+O=C1Cc2c(cccc2N2CCN(CCC3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1,CHEMBL2094011,7.82
+O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1,CHEMBL566356,7.885
+COc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL596448,6.49
+Oc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL593897,6.31
+Cc1ccccc1CC1c2ccc(O)cc2CCN1C,CHEMBL594798,5.56
+COc1ccc2c(c1)CCN(C)C2Cc1ccccc1C,CHEMBL594127,5.13
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,6.2
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,7.07
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,7.46
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.07
+Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21,CHEMBL593196,7.6
+Cn1c(CN2CCC(c3ccccc3F)CC2)nc2ccccc21,CHEMBL607689,7.4
+Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc21,CHEMBL593744,7.8
+Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,CHEMBL604993,6.9
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,CHEMBL593745,6.6
+Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21,CHEMBL608103,7.4
+Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21,CHEMBL605831,6.4
+Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21,CHEMBL596527,7.1
+Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL593056,6.1
+Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL605836,5.3
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1,CHEMBL596622,5.7
+CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1,CHEMBL596824,6.8
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1,CHEMBL599282,5.7
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)cc2)C1,CHEMBL603901,5.22
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1,CHEMBL599487,6.48
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNc3ccccc3)cc2)C1,CHEMBL604108,5.7
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1,CHEMBL597702,6.26
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL298406,6.01
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21,CHEMBL598515,5.27
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21,CHEMBL597909,5.52
+CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL600986,5.48
+CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL600987,5.22
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21,CHEMBL599977,5.96
+CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL603485,5.41
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21,CHEMBL591685,5.68
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)C4CC4)c3CC[C@@H]21,CHEMBL602659,5.67
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NS(C)(=O)=O)c3CC[C@@H]21,CHEMBL604135,6.0
+CCS(=O)(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL602052,6.21
+CCNC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL604132,6.05
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21,CHEMBL604129,6.25
+CCC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL601634,6.3
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCN(c5ccccn5)CC4)ccc3CC[C@@H]21,CHEMBL601635,8.89
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCCCC4)ccc3CC[C@@H]21,CHEMBL600998,7.59
+CS(=O)(=O)c1cccc(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL596800,6.245
+CCCN1CCN(c2cccc(S(C)(=O)=O)c2)CC1,CHEMBL596801,6.05
+CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1,CHEMBL596802,4.94
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21,CHEMBL600083,5.77
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21,CHEMBL604316,5.86
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21,CHEMBL599116,5.78
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21,CHEMBL604127,5.88
+COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL598730,6.03
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C(=O)O)c3CC[C@@H]21,CHEMBL598915,6.38
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL604314,6.36
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21,CHEMBL598949,5.86
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21,CHEMBL604732,6.05
+CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL599134,6.32
+CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL604525,6.66
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21,CHEMBL599135,7.16
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21,CHEMBL605354,6.91
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccccc4)c3CC[C@@H]21,CHEMBL599528,7.1
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(F)c4)c3CC[C@@H]21,CHEMBL598104,6.65
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21,CHEMBL598105,6.23
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21,CHEMBL605339,6.21
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(OC(F)(F)F)c4)c3CC[C@H]21,CHEMBL604383,5.79
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21,CHEMBL597100,6.51
+COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,CHEMBL603872,6.26
+CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,CHEMBL597310,7.92
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc(CO)cc4)c3CC[C@@H]21,CHEMBL604176,7.05
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21,CHEMBL597900,7.03
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21,CHEMBL605127,6.12
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21,CHEMBL597503,7.29
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,5.54
+COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2,CHEMBL270426,6.63
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1,CHEMBL1077344,8.0
+CN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL1079190,7.8
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1,CHEMBL1079191,7.0
+O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,CHEMBL1081309,9.2
+Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,CHEMBL1081311,7.6
+Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,CHEMBL1077348,7.3
+COc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,CHEMBL1081487,7.4
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL1081488,8.8
+O=C1N(CCN2CCCCCC2)CCN1c1ccccc1,CHEMBL1081489,8.1
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)c1,CHEMBL1081490,8.6
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1,CHEMBL1081491,7.2
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1,CHEMBL1083813,7.8
+O=C1N(CCN2CCCCCC2)CCN1c1cccnc1,CHEMBL1083814,7.0
+O=C1N(CCN2CCCCCC2)CCN1c1ccncc1,CHEMBL1083815,6.2
+O=c1n(CCN2CCCCCC2)ccn1-c1cccc(Cl)c1,CHEMBL1083816,6.4
+O=S1(=O)N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1,CHEMBL1084121,6.7
+O=c1n(CCCN2CCCCCC2)ccn1-c1cccc(Cl)c1,CHEMBL1086395,6.2
+O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,CHEMBL1085672,7.1
+O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1,CHEMBL1085673,6.2
+O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1,CHEMBL1085674,6.2
+O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL1085903,7.7
+c1ccc2c(c1)CCN1CCc3[nH]c4ccccc4c3C21,CHEMBL1086789,5.83
+c1ccc2c(c1)CCN1CCc3cccc4[nH]cc(c34)C21,CHEMBL1086790,5.35
+CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1,CHEMBL1087301,7.26
+CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1,CHEMBL1087300,8.4
+Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(C#N)cc5)C4)n3C)cccc2n1,CHEMBL1079577,5.2
+Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(Br)cc5)C4)n3C)cccc2n1,CHEMBL1079497,5.4
+Cc1ccc2c(-c3nnc(SCCCN4C[C@@H]5C[C@]5(c5ccc(C(F)(F)F)cc5)C4)n3C)cccc2n1,CHEMBL1081685,6.2
+Cc1ccc(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)cn1,CHEMBL1079640,6.2
+Cc1cnc(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)cn1,CHEMBL1079480,6.3
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(F)cc3)C2)n1C,CHEMBL1079462,6.4
+Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1079639,6.4
+Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081687,6.5
+Cc1nc(C)c(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)s1,CHEMBL1081746,6.6
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccnnc1,CHEMBL1081867,6.7
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccccc3)C2)n1C,CHEMBL1079667,6.7
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccccc1,CHEMBL1081686,6.8
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1079481,6.9
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081409,7.0
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(C)(C)C)cc3)C2)n1C,CHEMBL1079822,7.1
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(C)(C)C)cc3)C2)n1C,CHEMBL1079824,7.1
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1,CHEMBL1080046,7.0
+CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1,CHEMBL1078208,6.2
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(-c2ccccc2)cc1,CHEMBL1078207,6.2
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1Cl,CHEMBL1079311,6.4
+CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3c(c2)NC(=O)CC3)ccc1F,CHEMBL1087585,8.15
+CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3c(c2)NC(=O)CC3)c1,CHEMBL1087818,7.96
+O=C1CCc2ccc(CC3C4CCC3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1,CHEMBL1087817,8.2
+O=C1CCc2ccc(CC3CC4CCC(C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1,CHEMBL1088000,7.8
+CS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F,CHEMBL1087872,8.05
+CS(=O)(=O)Nc1cccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,CHEMBL1087745,7.74
+O=C1CCc2ccc(OC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1,CHEMBL1087744,8.6
+CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F,CHEMBL1087743,7.72
+CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,CHEMBL1088560,8.05
+O=C1CCc2ccc(CC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1,CHEMBL1087455,8.1
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087454,8.08
+O=C1CCc2ccc(OCCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087453,8.07
+O=C1CCc2ccc(OCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087452,8.07
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,CHEMBL1170096,8.6
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12,CHEMBL1170095,8.64
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1170683,8.32
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL1170094,8.38
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c12,CHEMBL1169904,8.38
+O=C1N(Cc2cn(CCF)nn2)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1171630,8.7
+CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O,CHEMBL1169728,7.15
+O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1170085,8.1
+CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O,CHEMBL1169896,8.15
+O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1,CHEMBL1169895,7.42
+O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1,CHEMBL1172214,7.87
+OC1(c2ccc(I)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1171249,8.62
+OC1(c2ccc(Br)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1172213,8.18
+OC1(c2ccccc2)CCN(Cc2cc3ccccc3s2)CC1,CHEMBL1172212,7.33
+OC1(c2ccc(I)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1170456,7.84
+OC1(c2ccc(Br)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1172210,7.76
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL1172209,6.6
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1172208,7.21
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1170879,6.67
+COc1ccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2c1,CHEMBL1173778,7.9
+COc1cccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c12,CHEMBL1173436,7.63
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1,CHEMBL1173366,7.86
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1,CHEMBL1173711,7.56
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1,CHEMBL1173363,5.86
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1,CHEMBL1173288,9.05
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12,CHEMBL1173287,9.05
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1173285,8.42
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(S(F)(F)(F)(F)F)cc3)C2)n1C,CHEMBL1210552,6.733
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214830,5.57
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214831,5.31
+COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214894,5.24
+CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214895,5.34
+FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214958,5.64
+CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214959,5.53
+FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214960,5.53
+COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214961,5.29
+CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214962,5.22
+COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221498,6.05
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,6.88
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221545,7.33
+COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221591,6.6
+COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221592,6.36
+COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221593,6.92
+COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1221594,7.0
+CCN1C[C@H]2C[C@@]2(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1,CHEMBL1224697,7.0
+C=CCN1C[C@H]2C[C@@]2(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1,CHEMBL1224698,7.2
+COc1cc([C@]23CNC[C@H]2C3)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL1224699,7.3
+O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(OC(F)(F)F)cc1,CHEMBL1224701,6.0
+CC(C)c1ccc(S(=O)(=O)Cc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223598,6.5
+CN(c1ccc([C@]23CNC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1,CHEMBL1223599,6.3
+CCCCc1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223601,6.9
+CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223602,7.3
+CC(C)c1ccc(S(=O)(=O)Nc2ccc(C34CNCC3C4)cc2)cc1,CHEMBL1223657,6.2
+CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1224638,6.6
+CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34C[C@@H]3CN(C)C4)cc2)cc1,CHEMBL1224639,7.2
+COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223615,9.1
+Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl,CHEMBL1223616,9.4
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1,CHEMBL1223617,7.77
+Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223680,7.96
+Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223681,7.49
+Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C,CHEMBL1223682,7.92
+COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1,CHEMBL271989,8.25
+Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl,CHEMBL1223683,9.22
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,CHEMBL1223747,8.8
+COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1,CHEMBL1223748,9.0
+Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl,CHEMBL1223749,8.51
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1,CHEMBL1223750,9.0
+Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1,CHEMBL1223799,8.6
+Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl,CHEMBL1223800,9.23
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1,CHEMBL1223801,8.96
+Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1,CHEMBL1223802,8.82
+Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl,CHEMBL1223856,9.26
+FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1,CHEMBL1223857,9.12
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,CHEMBL1223858,8.02
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1,CHEMBL1223859,7.89
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,CHEMBL1257382,10.24
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,CHEMBL1257262,9.52
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COC5)CC3)cc21,CHEMBL1257493,9.24
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257735,9.24
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258087,9.09
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258534,9.06
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258881,9.05
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258649,8.85
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257614,8.81
+Cc1c(OCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257736,8.77
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258763,8.73
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257492,8.68
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257971,8.63
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257859,8.61
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257613,8.58
+Cc1c(OCCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257616,8.52
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258879,8.5
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258086,8.42
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257734,8.35
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258085,8.26
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258313,8.24
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258650,8.24
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257385,8.23
+Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257494,8.17
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258647,8.13
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257261,8.08
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258314,8.07
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258428,8.05
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257146,8.05
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257264,8.03
+Cc1c(OCCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257737,8.03
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258535,8.02
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257147,8.01
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257145,7.99
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258200,7.99
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(Cl)c21,CHEMBL1258882,7.97
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258762,7.95
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCOC5)CC3)cc21,CHEMBL1257968,7.94
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257383,7.92
+Cc1c(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257495,7.88
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258761,7.87
+Cc1c(OCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257615,7.87
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1257969,7.86
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258427,7.8
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258533,7.79
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257970,7.78
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257858,7.66
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257857,7.65
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1258084,7.65
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257384,7.61
+Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258426,7.61
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258648,7.56
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258760,7.47
+c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258312,7.47
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258199,7.45
+c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258425,7.39
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257263,7.29
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1257144,7.24
+Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258532,7.09
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257856,6.54
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258880,7.35
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccccc3)C2)n1C,CHEMBL1257447,6.4
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4ccccc4)CC3C2)n1C,CHEMBL1257565,5.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1257566,6.3
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4ccc(C(F)(F)F)cc4)CC3C2)n1C,CHEMBL1257686,6.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3cccc(C(F)(F)F)c3)C2)n1C,CHEMBL1257687,6.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4cccc(C(F)(F)F)c4)CC3C2)n1C,CHEMBL1257808,5.6
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)CC2)n1C,CHEMBL1257809,7.0
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4CC4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1,CHEMBL1257925,6.7
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4CC4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1,CHEMBL1257926,6.7
+Cn1c(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)CC2)nnc1-c1ccnnc1,CHEMBL1258034,6.4
+Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@]3(c4ccc(C(F)(F)F)cc4F)CC23)n1C,CHEMBL1258268,6.7
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCCc4cc(Br)ccc43)C2)n1C,CHEMBL1258380,6.3
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCCc4ccc(Br)cc43)C2)n1C,CHEMBL1258381,6.5
+COc1ccc2c(c1)CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258492,6.0
+COc1cccc2c1CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258493,6.4
+COc1ccc2c(c1)C1(CCC2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258605,6.6
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(Br)ccc43)C2)n1C,CHEMBL1258712,6.9
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4c(Br)cccc43)C2)n1C,CHEMBL1258713,6.6
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4ccc(Br)cc43)C2)n1C,CHEMBL1258833,7.4
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5ccc(Cl)cc54)C3)n2C)s1,CHEMBL1258834,6.5
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5cc(Cl)ccc54)C3)n2C)s1,CHEMBL1258948,6.4
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(F)ccc43)C2)n1C,CHEMBL1258949,7.0
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5ccc(F)cc54)C3)n2C)s1,CHEMBL1257214,6.4
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(C)(C)C)cc2)C3)n1C,CHEMBL1257215,6.4
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(F)(F)F)cc2)C3)n1C,CHEMBL1257336,6.4
+Cc1ncoc1-c1nnc(SCCCNC2CC3CC3(c3ccccc3)C2)n1C,CHEMBL1257335,6.6
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1257688,8.38
+Cc1ccc(C)c(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1257689,8.33
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1257810,7.785
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256169,6.775
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,CHEMBL1257811,7.595
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3cc(C)ccc3C)CC2)c1,CHEMBL1257927,7.3
+O=C(CCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1258036,7.69
+Cc1ccc(C)c(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1258037,7.845
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1258154,6.285
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1,CHEMBL1258155,6.71
+O=C(CCCN1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256170,7.645
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1,CHEMBL1258270,6.495
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1,CHEMBL1258382,6.95
+Cc1ccc(C)c(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,CHEMBL1258383,7.135
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc(C)ccc2C)CC1,CHEMBL1258494,7.715
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256171,7.405
+Cc1ccc(C)c(C(=O)NCCCCN2CCN(c3cc(C)ccc3C)CC2)c1,CHEMBL1258495,7.035
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,6.85
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,6.51
+NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259172,7.43
+CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259187,8.51
+Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL1259188,8.57
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL1259203,6.755
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,9.17
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1,CHEMBL1259231,9.07
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1,CHEMBL1259232,8.8
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1,CHEMBL1258987,8.64
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1,CHEMBL1258988,8.23
+Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1,CHEMBL1259005,8.54
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1,CHEMBL1259006,8.72
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1,CHEMBL1259023,9.21
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1,CHEMBL1259024,8.96
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1,CHEMBL1259042,9.14
+CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1,CHEMBL1259043,8.74
+Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259062,8.8
+Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1,CHEMBL1259063,8.47
+Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1,CHEMBL1259079,8.2
+Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C,CHEMBL1259080,8.7
+Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259097,8.34
+Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1,CHEMBL1259098,8.31
+CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1,CHEMBL1259112,8.85
+CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1,CHEMBL1259113,7.46
+CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259144,8.15
+CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259145,7.92
+CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1,CHEMBL1259158,8.21
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,8.14
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,8.96
+CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259173,7.57
+CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259174,8.48
+CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259189,7.51
+CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259190,8.35
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnn(C)n4)cc32)CC1,CHEMBL1259128,9.46
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cc4nnnn4C)cc32)CC1,CHEMBL1259129,8.72
+Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1,CHEMBL1259071,4.07
+Cc1ccc(CNCC2(F)CCN(C(=O)c3csc4ccccc34)CC2)nc1,CHEMBL1259241,4.485
+Cc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1,CHEMBL1258999,4.56
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL45305,4.58
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.68
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1,CHEMBL1277917,6.45
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL1277104,6.48
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,5.65
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277837,5.69
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1275630,5.72
+O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12,CHEMBL1278001,6.22
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,7.1
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,6.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.7
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,6.4
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.3
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,6.1
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684128,7.06
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684135,6.85
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684134,6.76
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684029,6.69
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684130,6.53
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3,CHEMBL1684129,6.4
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684132,6.22
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684131,6.21
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684028,6.18
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684133,6.11
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684023,5.92
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684125,5.13
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689012,7.15
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1,CHEMBL1689011,7.19
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689010,7.42
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689009,7.75
+CN(C)c1ccc(C(=O)NC/C=C/CN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689008,7.45
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCOCCF)cc1,CHEMBL1689007,7.5
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689006,7.56
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1,CHEMBL1689005,7.85
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689004,7.82
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689003,7.67
+CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689002,7.82
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1,CHEMBL1689001,7.24
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(I)ccc2OCCF)CC1,CHEMBL1689000,7.88
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)ccc2OCCF)CC1,CHEMBL1688999,7.87
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(C)ccc2OCCF)CC1,CHEMBL1688998,7.75
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(OCCOCCF)cc2)CC1,CHEMBL1688997,7.23
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688996,7.26
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688995,6.88
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1,CHEMBL1688994,7.28
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCF)cc2)CC1,CHEMBL1688993,7.68
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688992,7.57
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688991,7.26
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL1688990,7.46
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1,CHEMBL1765629,6.965
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(Cl)c2C1,CHEMBL1765630,7.185
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1,CHEMBL1765631,5.205
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1Cc2cccn3ncc(c23)C1,CHEMBL1765632,6.595
+COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1,CHEMBL1771106,7.815
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccccc4)ccc3C2=O)CC1,CHEMBL1771107,7.62
+COc1ccccc1N1CCN(CCCCN2CCc3c(cccc3-c3ccccc3)C2=O)CC1,CHEMBL1771108,7.24
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771110,8.06
+COc1ccccc1N1CCN(CCCCN2CCCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771111,8.485
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccncc4)ccc3C2=O)CC1,CHEMBL1771112,8.02
+COc1ccccc1N1CCN(CCCCN2CCc3cc(C#N)ccc3C2=O)CC1,CHEMBL1771113,7.54
+C#Cc1ccc2c(c1)CCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,CHEMBL1771114,7.84
+O=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL1774062,8.59
+O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c-2n1,CHEMBL1774064,9.0
+O=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL1774065,8.7
+O=c1ccc2c[nH]c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc-2n1,CHEMBL1774066,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)nc2N1,CHEMBL1774067,8.24
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(F)c4Cl)CC3)nc2N1,CHEMBL1774068,8.6
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl,CHEMBL1774069,9.0
+Cc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774070,8.3
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C,CHEMBL1774071,8.6
+Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774072,8.52
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4F)CC3)nc2N1,CHEMBL1774073,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4Cl)CC3)nc2N1,CHEMBL1774074,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4C(F)(F)F)CC3)nc2N1,CHEMBL1774075,8.52
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1,CHEMBL1774076,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1,CHEMBL1774077,8.85
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCO5)CC3)nc2N1,CHEMBL1774078,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1,CHEMBL1774079,9.15
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1,CHEMBL1774080,9.09
+O=C1CCc2ccc(OCCCCN3CCN(c4c(F)ccc5ccccc45)CC3)nc2N1,CHEMBL1774081,8.8
+O=C1CCc2ccc(OCCCCN3CCN(c4cc(F)cc5ccccc45)CC3)nc2N1,CHEMBL1774082,8.96
+O=C1CCc2ccc(OCCCCN3CCN(c4ccc(F)c5ccccc45)CC3)nc2N1,CHEMBL1774083,8.7
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c(F)cccc45)CC3)nc2N1,CHEMBL1774084,8.22
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)nc2N1,CHEMBL1774085,9.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1,CHEMBL1774086,8.92
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1,CHEMBL1774087,8.77
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL1774383,6.41
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL1774384,6.42
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1774385,6.48
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774532,6.56
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774533,6.55
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1774534,6.38
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1774535,6.28
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL1774536,5.54
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774537,5.37
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1774538,6.62
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL1774539,6.33
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774540,6.52
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774541,6.64
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL1774542,6.71
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1csc2ccccc12,CHEMBL1774543,7.16
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1csc2ccccc12,CHEMBL1774544,6.79
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774545,6.71
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774546,6.57
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1ccc2ccccc2c1,CHEMBL1774547,6.92
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2ccccc2c1,CHEMBL1774548,6.5
+OC(CCNCc1ccc2c(c1)Cc1ccccc1-2)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL1774549,5.68
+FC(CCNCc1ccc2c(c1)Cc1ccccc1-2)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL1774550,5.28
+CN(CCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774551,6.06
+CN(CCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1773087,5.69
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc2ccccc12,CHEMBL1774552,7.19
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,5.76
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,5.55
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803023,7.7
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803024,7.512
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803025,7.705
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803026,7.93
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803027,8.475
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803028,8.49
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803029,8.265
+CCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803030,7.175
+CCCCn1cc(CCCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803050,7.225
+CCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803051,7.085
+CCOCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803052,7.77
+CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803053,7.465
+COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803054,8.075
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(C5CCCCC5)CC4)cc3OC)nn2)nn1,CHEMBL1803055,7.745
+CCCN1CCc2cccc3c2C1Cc1cccc(O)c1-3,CHEMBL329904,6.07
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c1-3,CHEMBL1806867,5.55
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3,CHEMBL1806868,6.06
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c1-3,CHEMBL1806869,5.7
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806870,5.37
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806871,5.66
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)CSc2ccccc2)c1-3,CHEMBL1806872,6.07
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c1-3,CHEMBL1806874,6.76
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1-3,CHEMBL1806875,6.53
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c1-3,CHEMBL1806876,6.47
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3,CHEMBL1806877,6.45
+O=C1CCc2ccc(OCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1,CHEMBL1813586,5.58
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2N1,CHEMBL1813587,6.84
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)cc2N1,CHEMBL1813588,6.51
+CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)C1=O,CHEMBL1813589,6.21
+COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813590,9.59
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1,CHEMBL1813591,9.59
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1,CHEMBL1813585,6.99
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,CHEMBL1813592,7.6
+COc1cc(C)ccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813593,8.34
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813594,9.85
+O=c1ccc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2[nH]1,CHEMBL1813595,10.15
+COc1ccccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813596,8.32
+COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813597,8.59
+COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813598,8.14
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813599,8.13
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2O)CC1,CHEMBL1822386,5.87
+COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccc(F)cc4)C[C@@H]3O)CC2)cc1,CHEMBL1822390,5.83
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,6.06
+COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834252,5.78
+c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834255,5.99
+COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834256,5.23
+COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834257,6.25
+c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834258,7.05
+COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834259,6.36
+COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834260,6.32
+COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834261,5.24
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,5.71
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.82
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.17
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.18
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,9.19
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,5.98
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.37
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.78
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.93
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,6.74
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.84
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,9.1
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.35
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,5.96
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,9.31
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.12
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.39
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.53
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.35
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.59
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.86
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,9.05
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.31
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.77
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,6.59
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,8.87
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,8.44
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,6.57
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,7.38
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.38
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,7.28
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,6.63
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,6.56
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.25
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,6.16
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.33
+CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,CHEMBL84158,6.39
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,5.69
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.41
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916548,7.955
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916720,7.685
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1916552,7.845
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2OC)nn1,CHEMBL1916551,8.155
+COc1cc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1916550,6.96
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN(CCC)C5Cc6ccccc6C5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916549,7.8
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1,CHEMBL1923292,5.18
+COc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923293,4.785
+Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923415,5.13
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cn1,CHEMBL1923416,4.445
+CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928119,6.71
+CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928120,7.19
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL1928121,7.995
+CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL1928123,6.3
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928125,7.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928126,7.78
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928127,7.41
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928128,7.775
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928129,7.495
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928130,7.5
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928131,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928132,7.61
+CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928135,7.33
+CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928136,7.76
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1926700,8.325
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928137,8.985
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928138,8.37
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928139,8.21
+CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1,CHEMBL1928247,4.865
+COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL1928248,6.56
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL26188,6.97
+Cc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL319707,6.52
+CCc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2,CHEMBL104571,6.38
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,7.62
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,8.17
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,8.17
+Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940405,6.73
+Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940406,7.39
+O=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1940407,6.0
+Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940408,6.55
+Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940409,6.68
+Fc1ccc(SCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1,CHEMBL1940410,5.32
+Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940411,6.41
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940412,7.43
+Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1,CHEMBL1940413,6.35
+c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940414,6.92
+Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940415,6.57
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,6.37
+Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940417,6.2
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,6.91
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,6.74
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.73
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1,CHEMBL1946122,7.66
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,7.48
+O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1,CHEMBL1946124,5.99
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,6.12
+Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946126,6.76
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,6.86
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,6.59
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,5.7
+O=C(CCCCN1[C@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL1946744,6.74
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1,CHEMBL1946745,7.36
+C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,CHEMBL1949725,7.07
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO,CHEMBL1949728,6.57
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO,CHEMBL1949729,5.53
+O=C(CCCCCCCCCCCCCCCCC(=O)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL2016631,6.59
+O=C(CCCCCCCCC(=O)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL2016628,8.89
+O=C(CCCCCCC(=O)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL2016627,8.86
+O=C(CCCCC(=O)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL2016626,8.47
+CCCCCCCCCC(=O)NCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL2016625,8.045
+C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21,CHEMBL2032049,5.5
+O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029915,5.38
+O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029916,7.15
+O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029917,7.16
+O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029918,7.31
+O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029919,6.32
+O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1ccccn1,CHEMBL2029920,7.85
+O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1cccnc1,CHEMBL2029921,8.09
+O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029922,8.44
+O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029923,5.45
+O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029924,6.56
+O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029925,7.08
+O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029926,6.7
+O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029927,5.49
+O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)Nc1ccccn1,CHEMBL2029928,6.44
+O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029929,7.53
+O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1,CHEMBL2029930,7.31
+c1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL2029931,6.32
+Fc1cccc(CCCN2CCCC2)c1,CHEMBL2030637,5.0
+N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,CHEMBL439849,6.18
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,5.63
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,6.66
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.7
+c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1,CHEMBL2037521,7.58
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,7.51
+c1ccc2c(c1)CN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037523,6.0
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037524,5.08
+O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037518,6.28
+O=C(CCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037519,5.82
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,6.66
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,7.597
+O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1,CHEMBL2037527,5.53
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,5.32
+O=C(CCCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037529,6.3
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,6.7
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,6.19
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL2059323,8.6
+O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,CHEMBL2059304,8.26
+O=C1CCc2cc(F)ccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059318,8.19
+O=C1CCc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059306,8.02
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1,CHEMBL2059322,7.85
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1,CHEMBL2059324,7.82
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059311,7.8
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cccc(F)c32)CC1,CHEMBL2059321,7.39
+O=C1CCc2ccccc2N1CCCN1CCC(c2ccc3[nH]ccc3c2)CC1,CHEMBL2059305,7.38
+O=C1CCc2ccccc2N1OCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059312,7.26
+O=C1CCc2c(F)cccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059317,7.22
+O=C1CCc2ccc(F)cc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059319,7.05
+O=C1CCc2cccc(F)c2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059320,7.02
+O=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059310,6.22
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL2059316,6.19
+O=C1CCc2cnccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059308,5.96
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cccnc32)CC1,CHEMBL2059313,5.9
+O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cnccc32)CC1,CHEMBL2059315,5.87
+O=C1CCc2ncccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059307,5.66
+COc1cc2c(cc1O)[C@@H]1Cc3cc(C)cc(C)c3CN1CC2,CHEMBL2057457,6.79
+COc1cc2c(cc1O)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2,CHEMBL2057456,6.83
+COc1ccc2c(c1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL2057453,6.46
+COc1cc2c(cc1OC)[C@@H]1Cc3cc(C)cc(C)c3CN1CC2,CHEMBL2057451,6.65
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]21,CHEMBL2062848,4.92
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)[C@H]1CO,CHEMBL2062849,5.77
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCC1,CHEMBL2062850,5.13
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1,CHEMBL2062851,6.6
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](C)[C@H]21,CHEMBL2062852,4.42
+CCN(CC)[C@H]1[C@H](CO)[C@@H]2CN(Cc3ccccc3)[C@@H](C)[C@@H]21,CHEMBL2062853,5.41
+C[C@@H]1[C@@H]2[C@H](CN1Cc1ccccc1)[C@H](CO)[C@H]2N1CCCC1,CHEMBL2062854,4.18
+C[C@H]1[C@H]2[C@@H](CN1Cc1ccccc1)[C@@H](CO)[C@@H]2N1CCCC1,CHEMBL2062855,4.8
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]21,CHEMBL2062856,5.3
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)[C@H]1CO,CHEMBL2062857,5.7
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccn3)[C@H]21,CHEMBL2062858,4.38
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccn2)[C@H]1CO,CHEMBL2062859,4.92
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCCC1,CHEMBL2062860,5.15
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1,CHEMBL2062861,5.7
+O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1802360,9.3
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159455,7.49
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1,CHEMBL2159456,5.98
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159457,7.3
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL2159458,7.34
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1,CHEMBL2159459,6.08
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159460,7.18
+CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159461,7.3
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1,CHEMBL2159462,6.25
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1,CHEMBL2159463,7.12
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1,CHEMBL2159464,7.08
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159465,7.29
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1,CHEMBL2159466,7.2
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F,CHEMBL2159467,7.82
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc3ccccc3n2)C1,CHEMBL2159468,7.1
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1,CHEMBL2159469,7.62
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccs2)C1,CHEMBL2159470,7.8
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1,CHEMBL2159471,7.8
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1,CHEMBL2159472,7.14
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1,CHEMBL2159473,6.14
+O=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1,CHEMBL2159474,7.17
+O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1,CHEMBL2159475,7.11
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159476,6.5
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1,CHEMBL2159477,8.0
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2159478,7.39
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159479,7.96
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1ccc(F)cc1,CHEMBL2159480,7.14
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)c(F)c1,CHEMBL2159481,7.62
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1ccc(F)c(F)c1,CHEMBL2159482,6.28
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cc(F)ccc1F,CHEMBL2159483,7.74
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F,CHEMBL2159484,7.22
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159485,7.6
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159486,7.44
+CC(C)c1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159487,7.7
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159488,7.41
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159489,7.8
+CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159490,7.6
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159491,8.1
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159492,8.0
+CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21,CHEMBL2158640,6.8
+Oc1ccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1,CHEMBL2158636,6.31
+Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21,CHEMBL1224527,6.64
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,7.43
+O=c1ccc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL2165120,8.47
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL2165119,8.92
+O=C1NCCc2ccc(OCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc21,CHEMBL2165118,8.24
+O=C1NCCc2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,CHEMBL2165117,7.74
+Clc1cccc(N2CCN(CCCOc3ccc4c[nH]nc4c3)CC2)c1Cl,CHEMBL2165116,6.98
+O=c1[nH]c2ccc(OCCCCN3CCC(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL2165115,7.96
+Clc1cccc(N2CCCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165114,7.74
+Clc1cccc(N2CCCN(CCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165140,7.7
+Clc1cccc(N2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165139,7.52
+Clc1cccc(C2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165138,7.12
+Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165137,7.38
+Clc1cccc(N2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165136,7.77
+O=c1[nH]c2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL2165135,7.82
+Clc1cccc(N2CCN(CCCCOc3ccc4c[nH]nc4c3)CC2)c1Cl,CHEMBL2165134,7.18
+O=C1NCCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,CHEMBL2165133,7.74
+O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL161792,8.14
+O=C1CCc2ccc(Oc3ccc(CN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cc2N1,CHEMBL2165132,6.97
+O=C1CCc2ccc(Oc3cccc(CN4CCN(c5cccc(Cl)c5Cl)CC4)c3)cc2N1,CHEMBL2165131,6.95
+O=C1CCc2ccc(CO[C@@H]3C[C@H]3CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165130,6.63
+O=C1CCc2ccc(OCC#CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165129,6.0
+O=C1CCc2ccc(OC[C@H]3CC[C@H](CN4CCN(c5cccc(Cl)c5Cl)CC4)CC3)cc2N1,CHEMBL2165128,6.84
+O=C1CCc2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165127,7.68
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165126,8.44
+O=C1CCc2ccc(OCCCCN3CCC(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165125,7.96
+Cc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1C,CHEMBL160744,8.09
+CCOc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1,CHEMBL2165124,7.28
+CCOc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1,CHEMBL2165123,7.68
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4C(F)(F)F)CC3)cc2N1,CHEMBL2165122,8.38
+Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL346129,8.23
+N#Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL160921,8.54
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc2N1,CHEMBL157923,8.43
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4F)CC3)cc2N1,CHEMBL160630,8.26
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4)CC3)cc2N1,CHEMBL160357,8.37
+CC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL2165121,8.51
+CCOc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL443034,8.55
+CCCCNC(=O)c1cc2ccccc2[nH]1,CHEMBL2164434,4.87
+CCC(=O)NCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL2165679,7.08
+CCC(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165678,7.81
+CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL26789,7.69
+CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165677,8.47
+CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165676,8.28
+OCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165675,7.2
+COc1ccccc1N1CCN(C)CC1,CHEMBL2165674,6.58
+CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165673,7.34
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.74
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,6.52
+CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180641,6.08
+CCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180640,5.91
+Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1,CHEMBL2180639,6.35
+Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1,CHEMBL2180638,6.93
+CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180637,5.85
+CCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL1188090,7.19
+O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL2204343,9.26
+CCCN1CCC(c2ccc3ccccc3c2)CC1,CHEMBL2207497,5.675
+CCCN1CCC(c2cccc3ccccc23)CC1,CHEMBL2207496,7.17
+CCCN1CCC(N2C(=O)C(=O)c3ccccc32)CC1,CHEMBL2207495,4.905
+CCCN1CCC(n2c(=O)n(C)c3cc(Cl)ccc32)CC1,CHEMBL2207494,5.495
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,6.385
+CCCN1CCC(n2cnc3ccccc32)CC1,CHEMBL2207492,4.97
+CCCN1CCC(c2cn(C)c3ccc(F)cc23)CC1,CHEMBL2207486,7.605
+CCCN1CCC(c2cn(C)c3cc(F)ccc23)CC1,CHEMBL2207485,6.68
+CCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL2207484,7.47
+OC12C3C4CC5C6C4C1C6C(C53)N2CC1CCCCC1,CHEMBL2205831,5.55
+COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1,CHEMBL2207643,7.55
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,CHEMBL2207642,6.91
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,CHEMBL2207641,7.62
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1,CHEMBL2207640,7.23
+COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,CHEMBL2207639,6.965
+COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,CHEMBL2207638,7.36
+COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,CHEMBL2207637,6.765
+COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,CHEMBL2207635,6.995
+CCCC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207634,7.17
+COc1ccccc1N1CCN(Cc2cc(C#Cc3ccccc3)c3cccccc2-3)CC1,CHEMBL2207633,7.18
+C#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207632,7.07
+c1ccc(N2CCN(CCCc3ccc4nc[nH]c4c3)CC2)cc1,CHEMBL2298813,6.89
+COc1ccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1,CHEMBL2298831,6.98
+COc1ccccc1N1CCN(CCCc2ccc3nc[nH]c3c2)CC1,CHEMBL2298817,7.01
+O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2298799,7.29
+O=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1,CHEMBL2298801,7.34
+COc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1,CHEMBL2299003,7.35
+COc1ccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1,CHEMBL2298821,7.48
+O=c1[nH]c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1,CHEMBL2299001,7.58
+S=c1[nH]c2ccc(CCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1,CHEMBL2298820,7.7
+COc1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL2298830,7.88
+COc1ccccc1N1CCN(CCOc2ccc3nc[nH]c3c2)CC1,CHEMBL2298824,7.9
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,8.78
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=O,CHEMBL2298807,7.55
+O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL2299000,8.12
+S=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1,CHEMBL2298833,8.15
+FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL2298828,8.23
+FC(F)(F)c1cccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL2298819,8.24
+S=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL2298818,8.52
+S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1,CHEMBL2298832,8.56
+COc1ccccc1N1CCN(CCOc2ccc3n[nH]nc3c2)CC1,CHEMBL2298805,8.82
+COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=O)[nH]c3c2)CC1,CHEMBL2299002,8.89
+S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL2298827,9.17
+COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=S)[nH]c3c2)CC1,CHEMBL2298822,9.4
+COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1,CHEMBL2298829,9.72
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,8.1
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,7.77
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,7.96
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,8.05
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,7.8
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,5.71
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccnn4C)cc23)CC1,CHEMBL2325926,7.82
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1,CHEMBL2326176,6.8
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1,CHEMBL2326175,6.66
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nnn(C)n4)cc23)CC1,CHEMBL2325935,7.16
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL2325932,7.12
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccncc4)cc23)CC1,CHEMBL2325930,7.57
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1,CHEMBL2325928,6.82
+CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL2325934,6.08
+CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL2325933,5.96
+CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccncc4)cc23)CC1,CHEMBL2325931,6.59
+CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cnn(C)c4)cc23)CC1,CHEMBL2325929,5.19
+CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccnn4C)cc23)CC1,CHEMBL2325927,6.06
+Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1,CHEMBL2326472,7.82
+Cn1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)n1,CHEMBL2326473,6.46
+Nc1nc2cc3c(cc2s1)CCN(Cc1ncon1)CC3,CHEMBL2326471,5.3
+Nc1nc2cc3c(cc2s1)CCN(Cc1cnc[nH]1)CC3,CHEMBL2326470,6.24
+Nc1nc2cc3c(cc2s1)CCN(Cc1cscn1)CC3,CHEMBL2326469,6.31
+Nc1nc2cc3c(cc2s1)CCN(Cc1cnco1)CC3,CHEMBL2326468,6.49
+Nc1nc2cc3c(cc2s1)CCN(Cc1ccncc1)CC3,CHEMBL2326485,7.42
+Nc1nc2cc3c(cc2s1)CCN(Cc1cccnc1)CC3,CHEMBL2326484,6.7
+Nc1nc2cc3c(cc2s1)CCN(Cc1ccccn1)CC3,CHEMBL2326483,5.3
+CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1,CHEMBL2326482,7.38
+CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1,CHEMBL2326481,7.38
+COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1,CHEMBL2326480,7.47
+COc1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1,CHEMBL2326479,7.04
+Nc1nc2cc3c(cc2s1)CCN(Cc1cccc(F)c1)CC3,CHEMBL2326478,7.38
+Nc1nc2cc3c(cc2s1)CCN(Cc1ccc(F)cc1)CC3,CHEMBL2326477,7.12
+Nc1nc2cc3c(cc2s1)CCN(Cc1ccccc1)CC3,CHEMBL2326476,7.1
+Nc1nc2cc3c(cc2s1)CCN(C(=O)c1ccccc1)CC3,CHEMBL2326475,5.37
+Nc1nc2cc3c(cc2s1)CCN(CCO)CC3,CHEMBL2326474,6.1
+CN(C)C(=O)CN1CCc2cc3nc(N)sc3cc2CC1,CHEMBL2326492,5.3
+Nc1nc2cc3c(cc2s1)CCN(CC(F)(F)F)CC3,CHEMBL2326491,5.3
+Nc1nc2cc3c(cc2s1)CCN(C1CC1)CC3,CHEMBL2326490,5.96
+CCN1CCc2cc3nc(N)sc3cc2CC1,CHEMBL2326489,5.6
+CN1CCc2cc3nc(N)sc3cc2CC1,CHEMBL2326488,5.82
+Nc1nc2cc3c(cc2s1)CCNCC3,CHEMBL2326487,5.41
+CCN[C@@H]1Cc2cc3nc(N)sc3cc2C1,CHEMBL2326486,6.82
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL2334891,7.04
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL1457510,6.84
+COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL448891,6.52
+COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL2334892,6.98
+COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3CN1CC2)OCO4,CHEMBL2334893,7.49
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,CHEMBL1235966,6.67
+COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,CHEMBL490533,6.92
+COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,CHEMBL320397,6.95
+COc1ccc2c(c1)CCN1CC[C@](O)(c3ccc(Cl)cc3)C[C@H]21,CHEMBL2335738,6.71
+Cc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2331599,6.88
+COc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335741,7.0
+COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335740,7.83
+Cc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2,CHEMBL2335737,7.91
+COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2,CHEMBL2335736,8.4
+c1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1,CHEMBL2336893,7.48
+CCCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL449920,5.195
+CCCN1CCC(c2ccc(OC)cc2)CC1,CHEMBL2048230,4.62
+CCCN1CCC(c2ccc(Cl)cc2)CC1,CHEMBL2048227,6.025
+CCCN1CCN(c2ccccc2S(C)(=O)=O)CC1,CHEMBL2336282,6.22
+CCCN1CCC(c2ccccc2OC)CC1,CHEMBL2336280,7.91
+CCCN1CCN(c2ccccc2OC)CC1,CHEMBL92887,7.68
+CCCN1CCC(c2cccc(S(=O)(=O)C3CCCC3)c2)CC1,CHEMBL2336289,5.41
+CCCN1CCN(c2cccc(C#N)c2)CC1,CHEMBL480434,6.585
+CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1,CHEMBL2336285,6.72
+CCCN1CCC(c2cccc(OC)c2)CC1,CHEMBL2336284,5.81
+CCCN1CCN(c2cccc(OC)c2)CC1,CHEMBL451149,6.51
+CCCN1CCC(c2ccccc2)CC1,CHEMBL2048226,6.785
+CCCN1CCN(c2ccccc2)CC1,CHEMBL114510,6.315
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,7.1
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,6.46
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,6.79
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,7.85
+CNc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386623,6.77
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc(OC)c2OC)CC1,CHEMBL2386622,6.82
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)nc2)CC1,CHEMBL2386621,6.84
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)nc2)CC1,CHEMBL2386620,6.92
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1,CHEMBL2386619,6.55
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)s2)CC1,CHEMBL2386618,7.36
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,CHEMBL2386617,7.0
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCO)cc2)CC1,CHEMBL2386616,6.82
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccccc3)s2)CC1,CHEMBL2386615,6.97
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2386614,6.9
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL2386613,6.86
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1,CHEMBL2386612,7.25
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL2386611,7.02
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL2386610,6.95
+C=Cc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386609,6.89
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL2386608,6.97
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL2386607,6.9
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(SC)cc2)CC1,CHEMBL2386606,7.0
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL2386605,6.92
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,CHEMBL2386604,6.89
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,7.23
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,CHEMBL2386603,7.05
+COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL51767,7.93
+CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397385,6.77
+CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1,CHEMBL3216146,7.1
+CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397383,7.33
+CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397382,7.37
+CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397381,7.11
+Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL2397380,7.27
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cnn(CCCC)n3)c(OC)c2)CC1,CHEMBL2397477,8.18
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.43
+Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl,CHEMBL2420895,6.3
+CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL2420894,6.33
+Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl,CHEMBL2420893,6.62
+CCOc1ccccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2420892,6.66
+Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl,CHEMBL2420891,6.42
+CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1,CHEMBL2420890,6.66
+Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl,CHEMBL2420782,6.45
+CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1,CHEMBL2420781,6.58
+Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl,CHEMBL2420780,6.49
+CCOc1ccccc1N1CCN(Cc2cccnc2)CC1,CHEMBL2420779,6.59
+Oc1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420778,5.66
+Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl,CHEMBL2420777,5.8
+CCOc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420773,6.79
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+CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCCN3CCCC3)cc21,CHEMBL3234543,6.68
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+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCC(N)=O)C2=O)cc(OC)c1OC,CHEMBL3265324,8.14
+C=CCN1CCC[C@H]1CNC(=O)c1cccc(CCCF)c1,CHEMBL3265329,9.2
+c1cc2c3c(c[nH]c3c1)CC1CNCCN21,CHEMBL3286567,5.68
+CN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286568,6.18
+CCN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286569,6.85
+CCCN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286570,6.24
+CCCCN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286571,6.96
+CC(C)CN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286572,6.51
+CCCCCN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286573,7.01
+CC(C)CCN1CCN2c3cccc4[nH]cc(c34)CC2C1,CHEMBL3286574,7.62
+c1cc2c3c(c[nH]c3c1)CC1CN(CC3CCCCC3)CCN21,CHEMBL3286575,7.27
+c1ccc(CN2CCN3c4cccc5[nH]cc(c45)CC3C2)cc1,CHEMBL3286576,6.89
+c1ccc(-c2ccccc2CN2CCN3c4cccc5[nH]cc(c45)CC3C2)cc1,CHEMBL3286577,6.525
+c1ccc(-c2cccc(CN3CCN4c5cccc6[nH]cc(c56)CC4C3)c2)cc1,CHEMBL3286578,9.415
+c1ccc(-c2ccc(CN3CCN4c5cccc6[nH]cc(c56)CC4C3)cc2)cc1,CHEMBL3286579,6.885
+Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl,CHEMBL3287390,7.44
+Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl,CHEMBL3287391,7.56
+Clc1cccc(N2CCN(CCCCOc3ccc4ccnn4c3)CC2)c1Cl,CHEMBL3287392,8.53
+Clc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl,CHEMBL3287394,8.015
+CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287395,8.15
+OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287396,8.575
+O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287397,8.415
+O=Cc1cnn2cccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,CHEMBL3287398,7.58
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+O=Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nn2ccccc12,CHEMBL3287401,7.925
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+O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287404,8.56
+N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287405,9.365
+N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287406,8.11
+O=C(NCC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627306,6.525
+O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627307,6.1
+O=C(NCC[C@@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287279,6.1
+O=C(NCC[C@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287280,5.6
+O=C(NCCC(CF)N1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287281,5.13
+O=S(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3289383,6.2
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+Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1,CHEMBL3289646,5.98
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+Clc1ccc(N2CCN(CCCCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3289649,5.51
+Clc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3286429,5.4
+Clc1ccc(N2CCN(CCCc3cc4ccccc4o3)CC2)cc1,CHEMBL3289653,5.7
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+Cc1cccc(S(=O)(=O)NCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289708,7.37
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289709,7.89
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289944,8.06
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289945,8.11
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289946,7.57
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289947,7.43
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+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289963,7.59
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+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289970,7.24
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+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289974,6.4
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289975,7.26
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289976,8.28
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289977,5.14
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289978,7.82
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289980,7.29
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289981,7.82
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289982,5.89
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289983,7.52
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289984,7.27
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289986,7.34
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289987,7.0
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289989,6.77
+Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289990,7.7
+Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289991,7.8
+Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289992,7.77
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289993,7.85
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289994,7.82
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289995,8.43
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289996,7.59
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289997,7.48
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289998,7.19
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3289999,8.06
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290001,8.04
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290002,8.4
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290003,8.52
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290004,8.28
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290005,9.0
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290006,8.96
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290007,7.64
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290008,9.0
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290009,7.44
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290010,7.66
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290011,7.96
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.72
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290013,7.57
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290014,8.92
+Cc1c(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290015,8.1
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290016,8.72
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(Cl)cc12,CHEMBL3290017,8.82
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290018,7.82
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290021,7.6
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,CHEMBL8514,10.4
+OC1(c2ccc(Cl)cc2)CCNCC1,CHEMBL3298755,5.04
+CC(C)(C)OC(=O)NCCN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL3298756,5.56
+CC(C)(C)OC(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL3298757,5.87
+CC(C)(C)OC(=O)NCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL3298825,5.68
+CC(C)(C)OC(=O)NCCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL3299091,5.69
+CC(C)(C)OC(=O)NCCCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL3299092,6.045
+COc1ccccc1N1CCN(CCNC(=O)OC(C)(C)C)CC1,CHEMBL3299093,6.77
+COc1ccccc1N1CCN(CCCNC(=O)OC(C)(C)C)CC1,CHEMBL3299094,7.795
+COc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1,CHEMBL3299095,7.72
+COc1ccccc1N1CCN(CCCCCNC(=O)OC(C)(C)C)CC1,CHEMBL3299096,7.92
+COc1ccccc1N1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1,CHEMBL3299097,7.13
+Cc1cc(C)c2c(N)c(C(=O)NCCN3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1,CHEMBL3299098,6.04
+Cc1cc(C)c2c(N)c(C(=O)NCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1,CHEMBL3299099,5.77
+Cc1cc(C)c2c(N)c(C(=O)NCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1,CHEMBL3298200,5.65
+Cc1cc(C)c2c(N)c(C(=O)NCCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1,CHEMBL3298685,5.7
+Cc1cc(C)c2c(N)c(C(=O)NCCCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1,CHEMBL3298686,6.01
+COc1ccccc1N1CCN(CCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1,CHEMBL3298758,7.32
+COc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1,CHEMBL3298759,7.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1,CHEMBL3298826,8.2
+COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1,CHEMBL3298827,8.455
+COc1nc2sc(C(=O)NCCCCCCN3CCC(c4ccc(Cl)cc4)CC3)c(N)c2c(C)c1Cl,CHEMBL3298828,9.215
+CC(C)(C)OC(=O)NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3298829,7.37
+COc1nc2sc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c(N)c2c(C)c1Cl,CHEMBL3298830,7.81
+Cc1cc(C)c2c(N)c(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)sc2n1,CHEMBL3298895,7.95
+COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1,CHEMBL3298896,8.04
+COc1cc2c(cc1O)[C@@H]1Cc3sccc3CN1CC2,CHEMBL3344356,7.06
+CCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344456,7.39
+CCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344457,7.41
+CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344458,7.75
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2,CHEMBL3344459,8.12
+CCCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344460,7.33
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCC(C)C)cc3CN1CC2,CHEMBL3344461,7.1
+CCC(C)Cc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344462,7.54
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)(C)C)cc3CN1CC2,CHEMBL3344463,6.72
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CCC4)cc3CN1CC2,CHEMBL3344465,7.47
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CC4)cc3CN1CC2,CHEMBL3344466,7.94
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCl)cc3CN1CC2,CHEMBL3344467,7.46
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCl)cc3CN1CC2,CHEMBL3344468,7.74
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)Cl)cc3CN1CC2,CHEMBL3344469,7.78
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCCl)cc3CN1CC2,CHEMBL3344470,7.92
+O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1ccccc1,CHEMBL3358513,9.0
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1,CHEMBL3358512,7.24
+Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358506,5.47
+O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1,CHEMBL3358498,6.8
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358098,5.25
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358100,6.54
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,6.58
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1,CHEMBL3358102,6.66
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1,CHEMBL3358104,7.28
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,CHEMBL3358105,7.12
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C,CHEMBL3358493,7.07
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NC(N)=O)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335470,7.52
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335471,8.27
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NS(N)(=O)=O)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335472,7.43
+FC(F)(F)Oc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335538,5.26
+FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335554,5.26
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3O)nn2)CC1,CHEMBL3353916,8.03
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3O)nn2)CC1,CHEMBL3353915,7.89
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353914,7.58
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353913,7.42
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353912,7.36
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353911,7.2
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353910,6.77
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353909,6.79
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353908,7.2
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353907,6.86
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353906,6.57
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353905,7.63
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353904,7.33
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353903,7.13
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353902,6.96
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353901,7.03
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353900,6.8
+COc1ccccc1N1CCN(CCCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353899,7.75
+COc1ccccc1N1CCN(CCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353898,7.37
+COc1ccccc1N1CCN(CCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353897,7.1
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353896,7.71
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353895,7.39
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353894,7.19
+CC(C)(C)c1nc(C2CC2)cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)n1,CHEMBL3323010,6.72
+CC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(C)(C)C)n1,CHEMBL3323009,6.44
+Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(C)(C)C)n1,CHEMBL3323008,6.44
+Cc1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)n1,CHEMBL3323007,5.34
+Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(F)(F)F)n1,CHEMBL3323006,5.44
+Cc1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323005,4.6
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c2ccccc2n1,CHEMBL3323004,5.84
+O=C(NCCCCN1CCN(c2ncnc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3323003,5.95
+O=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1,CHEMBL3323002,5.81
+O=C(NCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cn2ccccc2n1,CHEMBL3323001,5.73
+O=C(NCCCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cn2ccccc2n1,CHEMBL3323000,5.3
+O=C(NCCCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3322999,4.87
+O=C(NCCCCN1CCN(c2ccnc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3322998,6.24
+CC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)c1,CHEMBL3322997,5.89
+N#Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)c1,CHEMBL3322996,6.72
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cn2ccccc2n1,CHEMBL3322995,6.79
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn2ccccc2n1,CHEMBL3322994,7.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1,CHEMBL3322993,7.72
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cn2ccccc2n1,CHEMBL3322992,6.75
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323116,6.47
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)[C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323117,5.82
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)C3CCN(c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323115,6.09
+CN(C)Cc1cccc2nc(C(=O)NCCCCN3CCN(c4cc(C(F)(F)F)nc(C(C)(C)C)n4)CC3)cn12,CHEMBL3323114,6.63
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4c(CO)cccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323113,6.03
+CN(C)Cc1c(C(=O)NCCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)[nH]c2ccccc12,CHEMBL3323019,6.28
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3sc4ncccc4c3N)CC2)cc(C(F)(F)F)n1,CHEMBL3323018,6.32
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4nc(Cl)ccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323017,6.18
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccncc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323016,6.35
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4cccnc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323015,6.36
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4cccnc4s3)CC2)cc(C(F)(F)F)n1,CHEMBL3323014,6.17
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3nc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL3323013,6.47
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL3323012,6.04
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,7.48
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,7.66
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,8.54
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,7.57
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,8.32
+O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318831,8.22
+O=C(CCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318832,7.92
+O=C(CCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318833,8.58
+O=C(CCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318834,8.535
+O=C(CCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318835,8.57
+O=C(CCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318836,8.22
+O=C(CCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318837,7.665
+O=C(CCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318838,7.26
+O=C(CCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318839,7.065
+O=C(CCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318840,6.7
+O=C(CCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318841,6.81
+O=C(CCCCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318842,7.585
+O=C(CCCCCCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318843,6.53
+Cc1ccc(C(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL3318844,7.29
+CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318845,8.35
+CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318824,8.605
+O=C(CCN1CCN(CCC(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318846,8.78
+CN(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)CCN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318847,8.575
+CN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318848,8.73
+O=C(CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318849,8.845
+O=C(CCc1cn(CCCCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318850,8.29
+O=C(CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3317465,8.76
+O=C(CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318851,8.61
+O=C(CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3318852,6.2
+NC(=O)c1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409257,7.11
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,8.2
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccc5ccoc5c4)CC3)cccc21,CHEMBL3409255,6.66
+O=C1CCc2ccc(OCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1,CHEMBL3409254,7.64
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2cccc(Cl)c2)CC1,CHEMBL3409253,7.12
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1,CHEMBL3409252,7.36
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2cccc(F)c2)CC1,CHEMBL3409251,7.35
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1,CHEMBL3409250,7.68
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1,CHEMBL3409249,7.02
+NC(=O)c1ccccc1OCCCNCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL3409248,6.74
+NC(=O)c1ccccc1OCCCNCCc1cn(Cc2ccccc2)c2ccccc12,CHEMBL3409247,6.57
+NC(=O)c1ccccc1OCCCN1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL3409246,7.21
+NC(=O)c1ccccc1OCCCN1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL3409245,7.54
+NC(=O)c1ccccc1OCCCN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL3409244,6.8
+NC(=O)c1ccccc1OCCCN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL3409243,7.51
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cc2N1,CHEMBL3409242,8.89
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccc(F)cc4)CC3)cc2N1,CHEMBL3409241,7.92
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(F)c4)CC3)cc2N1,CHEMBL3409240,8.21
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4F)CC3)cc2N1,CHEMBL3409239,7.96
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1,CHEMBL3409238,8.89
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4)CC3)cc2N1,CHEMBL3409237,7.7
+O=C1CCc2ccc(OCCCCNCCc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2N1,CHEMBL3409236,6.92
+O=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1,CHEMBL3409235,7.15
+O=C1CCc2ccc(OCCCCN3CCC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3407518,7.85
+O=C1CCc2ccc(OCCCCN3CCC(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409234,8.32
+O=C1CCc2ccc(OCCCCN3CC=C(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409233,7.4
+O=C1CCc2ccc(OCCCCN3CC=C(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409232,7.14
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccc(F)cc4)CC3)cccc21,CHEMBL3409263,7.33
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccc(F)cc4)CC3)cccc21,CHEMBL3409262,7.17
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccccc4)CC3)cccc21,CHEMBL3409261,7.21
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccccc4)CC3)cccc21,CHEMBL3409260,6.54
+CC(C)Oc1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409259,6.92
+CC(C)Oc1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409258,6.96
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423328,6.15
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423329,6.58
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423330,6.37
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423331,6.33
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423332,8.4
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423333,7.62
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)ccn23)n(C)c1=O,CHEMBL3423334,6.59
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423335,6.91
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423336,6.97
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423337,7.64
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423338,8.05
+Cc1cccc(N2CCN(CCCCn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)c1C,CHEMBL3423339,7.57
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3423340,7.23
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423377,6.47
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423378,7.17
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423379,6.67
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577342,8.67
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577343,8.155
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,CHEMBL3577344,7.45
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577345,7.63
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577346,9.3
+COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1627314,6.66
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL3590085,5.68
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,CHEMBL3590077,7.445
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)c(F)c2)CC1,CHEMBL3590078,8.02
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2cc(F)c(F)c(F)c2)CC1,CHEMBL3590079,8.1
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590081,7.54
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3590082,7.745
+CCCN(CCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3589575,8.35
+CCCN(CCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589576,8.24
+CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589577,7.05
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588913,7.5
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588914,7.24
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588915,7.29
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4cnccc4c3)nn2)CC1,CHEMBL3588916,7.08
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5ccccc5c4)nn3)CC2)c1Cl,CHEMBL3588917,7.09
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,CHEMBL3588918,6.37
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,CHEMBL3588919,7.33
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588920,7.63
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588921,7.3
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588981,7.36
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1,CHEMBL3588982,7.37
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL3588983,7.16
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5ccccc5c4)nn3)CC2)c1Cl,CHEMBL3588984,6.99
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,CHEMBL3588985,6.05
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,CHEMBL3588986,7.25
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5ncccc5c4)nn3)CC2)c1Cl,CHEMBL3588987,7.27
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)c1Cl,CHEMBL3588988,5.59
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588989,6.72
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL3588990,6.09
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccccc3)nn2)CC1,CHEMBL3588991,5.92
+COc1ccccc1-c1cn(CCC(O)CN2CCN(c3ccccc3OC)CC2)nn1,CHEMBL3588992,5.99
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588993,6.22
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4ncccc4c3)nn2)CC1,CHEMBL3588994,6.37
+OC(CCn1cc(-c2ccc3ccccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588995,4.73
+OC(CCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588996,4.82
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588997,6.1
+OC(CCn1cc(-c2ccc3[nH]ccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588998,6.02
+OC(CCn1cc(-c2ccc3ncccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3589650,6.61
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL3589651,6.49
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,CHEMBL3589652,7.26
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL3597641,7.28
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL3597642,7.14
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2[nH]1,CHEMBL3597643,7.89
+COc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1,CHEMBL3597644,7.86
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2o1,CHEMBL3596212,7.83
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3597645,8.08
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,7.43
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL1627310,6.48
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL3597646,6.03
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3cc(F)ccc3n2)CC1,CHEMBL3597647,7.17
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cc(F)ccc3n2)CC1,CHEMBL3597648,6.0
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597649,6.04
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CC1,CHEMBL3597650,7.47
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(F)cc3c2)CC1,CHEMBL3597651,6.17
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(C)cc3c2)CC1,CHEMBL3597652,6.15
+COc1ccc2ncc(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL3597653,6.11
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cccnc3c2)CC1,CHEMBL3597654,5.99
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597635,7.8
+O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597636,6.59
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597637,7.37
+COc1c(Cl)cccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597638,6.05
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1,CHEMBL3597639,7.41
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1,CHEMBL3597640,6.08
+COc1ccc2nc(NC(=O)CCCCN3CCN(c4ccc(Cl)cc4)CC3)sc2c1,CHEMBL3605344,6.71
+O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1,CHEMBL3605331,6.76
+O=C(CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)Nc1nc2ccccc2s1,CHEMBL3605327,5.25
+COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1,CHEMBL3613873,6.97
+O=Cc1cnn2ccc(-n3cc(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613874,8.295
+O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613875,7.125
+O=Cc1cnn2ccc(-n3cc(CCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613876,8.03
+COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1,CHEMBL3613877,7.885
+Clc1cccc(N2CCN(CCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613878,7.83
+Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613879,7.08
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)Cc1ccc(Br)cc1,CHEMBL3622103,6.04
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)Cc1ccc(OC)cc1,CHEMBL3622102,5.39
+Brc1ccc(CNCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1,CHEMBL3622101,5.28
+COc1ccc(CNCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1,CHEMBL3622100,5.4
+CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1,CHEMBL3622099,7.265
+CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1,CHEMBL3622098,6.92
+Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL3622097,7.3
+COc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL3622096,6.37
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(Br)cc1,CHEMBL3622095,6.66
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(OC)cc1,CHEMBL3622094,6.28
+Brc1ccc(NCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1,CHEMBL3622093,6.04
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+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CC1,CHEMBL3642735,6.23
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+CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5sccc45)CC3)CC2)C1,CHEMBL3642703,6.61
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+O=C(C[C@@H](O)C(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642765,6.14
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+O=C(CO)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1,CHEMBL3642704,6.66
+COC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642815,6.1
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+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1,CHEMBL3642693,6.92
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+C/C=C/CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642758,6.02
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+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1,CHEMBL3642780,5.84
+N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1,CHEMBL3642793,6.42
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+O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642741,5.9
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+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1)C1CCOCC1,CHEMBL3642702,6.0
+CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642713,6.09
+O=C(CCO)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1,CHEMBL3642684,6.02
+CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642725,5.9
+CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1,CHEMBL3642807,5.78
+O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642728,6.23
+CS(=O)(=O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642716,5.99
+CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642752,6.15
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1cnc(N2CCOCC2)cn1,CHEMBL3642806,6.3
+O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642798,5.52
+Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CC4CCOCC4)CC3)CC2)c2c1OCC2,CHEMBL3642786,5.53
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccnc2ccccc12,CHEMBL3642739,6.26
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1,CHEMBL3642691,6.58
+O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccccc1,CHEMBL3642814,6.62
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C(F)(F)F,CHEMBL3642756,6.11
+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1,CHEMBL3642773,6.6
+CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642764,6.0
+CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642769,6.08
+O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642744,5.84
+CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5sccc45)CC3)CC2)CC1,CHEMBL3642698,6.52
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCCCC2)cc1,CHEMBL3642733,5.27
+COC(CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC,CHEMBL3642790,5.63
+Cc1cc2c(c(N3CCN(CC[C@H]4CC[C@H](NC(=O)C5CCOCC5)CC4)CC3)n1)CCO2,CHEMBL3642778,5.71
+Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CC4CCOCC4)CC3)CC2)c2ccoc12,CHEMBL3642782,5.57
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCCOC1,CHEMBL3642730,6.12
+O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642746,6.07
+CCC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642753,6.15
+CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5occc45)CC3)CC2)CC1,CHEMBL3642687,5.83
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1,CHEMBL3642724,6.06
+CN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](CCN4CCN(c5nccc6c5CCO6)CC4)CC3)cc2)CC1,CHEMBL3642794,6.75
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL3642797,5.47
+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642709,6.11
+CC(C)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642770,5.89
+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1,CHEMBL3642777,6.04
+CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)C1,CHEMBL3642767,5.89
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CCOCC1,CHEMBL3642689,6.29
+O=C(CCC(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642772,5.9
+O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1,CHEMBL3642688,6.17
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1Cl,CHEMBL3642808,6.29
+CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1,CHEMBL3642692,6.06
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2ncccc2c1,CHEMBL3642804,6.3
+COCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1,CHEMBL3642700,6.66
+Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1,CHEMBL3642762,6.4
+CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642748,6.18
+Cc1cc2occc2c(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCOCC4)CC3)CC2)n1,CHEMBL3642774,6.56
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+Cc1cc2c(c(N3CCN(CC[C@H]4CC[C@H](NC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2,CHEMBL3639416,5.71
+CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1,CHEMBL3642707,6.58
+COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1,CHEMBL3642787,5.45
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCCO1,CHEMBL3642720,5.98
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+O=C(CC1C[C@H](O)CO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642768,6.03
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+O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642738,5.95
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+O=C(CC1(O)CCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642817,6.39
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+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3746771,6.55
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746713,7.28
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3745815,7.27
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3747003,7.46
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747148,7.82
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747744,7.7
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3745882,7.74
+CC(C)(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3746083,6.8
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3746493,6.64
+O=S(=O)(c1ccc(F)cc1)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3745853,7.43
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3747240,7.8
+CN1CCc2ccccc2Cc2sccc2CC1,CHEMBL3752512,7.35
+CN1CCc2ccccc2Cc2sc3ccccc3c2CC1,CHEMBL3753266,8.82
+CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,CHEMBL504548,8.05
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,5.29
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,5.73
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.36
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.61
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(F)c1,CHEMBL3758591,6.49
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(F)c2)C3)c1,CHEMBL3759617,6.7
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,CHEMBL3759205,7.22
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1,CHEMBL3759819,7.03
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1,CHEMBL3758368,7.47
+COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1,CHEMBL3758913,6.49
+COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1,CHEMBL26962,6.77
+COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1,CHEMBL3760063,6.32
+COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1,CHEMBL3759312,5.81
+COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1,CHEMBL3758991,7.89
+CCOC(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3758665,6.04
+CS(=O)(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3758610,7.26
+O=C(NCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1)c1ccc2ccccc2c1,CHEMBL3760110,6.88
+O=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1,CHEMBL3759441,7.28
+O=C(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3759865,7.02
+O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)c1ccc2ccccc2c1,CHEMBL3759491,6.43
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1,CHEMBL3758711,5.81
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C,CHEMBL3758741,6.52
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3758920,4.92
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL3759513,5.48
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1,CHEMBL3759607,6.51
+O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1,CHEMBL3758330,5.3
+Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL3758881,6.39
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764557,4.9
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL3764586,5.0
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(Br)cc3)C2)n1C,CHEMBL3764833,4.8
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccsc1,CHEMBL3764191,5.1
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1nccs1,CHEMBL3764884,5.1
+Cn1cccc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764739,5.2
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCCCC1,CHEMBL3764245,5.1
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccncc1,CHEMBL3763200,4.9
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccnc1,CHEMBL3764612,4.8
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cnccn1,CHEMBL3765169,5.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1,CHEMBL3764306,4.6
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1,CHEMBL3765422,4.8
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3765426,4.95
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1,CHEMBL3764212,4.8
+CC(=O)c1ccc(-c2nnc(SCCCN3CCOC(c4ccc(C(F)(F)F)cc4)C3)n2C)cc1,CHEMBL3765267,4.7
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C#N)cc1,CHEMBL3764639,5.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3F)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3764597,4.8
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1,CHEMBL3765072,5.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1,CHEMBL3765285,4.9
+Cc1ccc(C2CN(CCCSc3nnc(-c4ccc(-c5noc(C)n5)cc4)n3C)CCO2)cc1,CHEMBL3764246,4.6
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.31
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL3771222,6.58
+Cc1ccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)cc1C,CHEMBL3770110,5.65
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL3770581,5.7
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1=O,CHEMBL3769536,5.17
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)cc3)CC2)C1=O,CHEMBL3770522,5.37
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3)CC2)C1=O,CHEMBL3770293,5.25
+Cc1ccc(C)c(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769612,5.74
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)C1=O,CHEMBL3771309,6.52
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3C#N)CC2)C1=O,CHEMBL3770639,6.03
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3769534,6.9
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O,CHEMBL3769606,6.08
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C1=O,CHEMBL3770473,5.77
+COc1cccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769441,5.29
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C1=O,CHEMBL3769836,5.54
+COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3302600,6.15
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1C1CCCCC1,CHEMBL3774463,5.2
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1C1CCCC1,CHEMBL3774462,6.6
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1C1CCOCC1,CHEMBL3775737,6.4670000000000005
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1N1CCOCC1,CHEMBL3775243,6.567
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1ccn(C)c(=O)c1,CHEMBL3774569,6.4
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,CHEMBL3775033,6.2
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1,CHEMBL3774769,6.1
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)[nH]c1,CHEMBL3775718,6.4
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,CHEMBL3774411,6.033
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1ccccn1,CHEMBL3775408,6.5
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1ccncc1,CHEMBL3775214,6.6
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1,CHEMBL3775197,6.132999999999999
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccccn1,CHEMBL3775554,6.4
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccncc1,CHEMBL3774490,6.4
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnc1,CHEMBL3775604,6.1
+Cc1cc(-c2nnc(SCCCN3CC4CCN(c5ccc(C(F)(F)F)cc5)C4C3)n2C)on1,CHEMBL3775482,6.8
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1nccs1,CHEMBL3775256,6.8
+Cn1cc(-c2nnc(SCCCN3CC4CCN(c5ccc(C(F)(F)F)cc5)C4C3)n2C)cn1,CHEMBL3775036,6.7
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnn1,CHEMBL3775583,6.5
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccnnc1,CHEMBL3774534,6.2
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccncn1,CHEMBL3775810,6.8
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cncnc1,CHEMBL3775572,5.9
+Cn1c(SCCCN2CC3CCN(c4c(F)cc(F)cc4F)C3C2)nnc1-c1cnccn1,CHEMBL3774519,6.2
+Cn1c(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)nnc1-c1cnccn1,CHEMBL3775771,6.2
+Cn1c(SCCCN2CC3CCN(c4c(F)cccc4C(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3775946,6.4
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4C(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3774911,5.9
+COc1cc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)ccc1F,CHEMBL3775753,6.3
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4F)C3C2)nnc1-c1cnccn1,CHEMBL3774591,6.3
+Cn1c(SCCCN2CC3CCN(c4ccccc4C#N)C3C2)nnc1-c1cnccn1,CHEMBL3775631,6.7
+Cn1c(SCCCN2CC3CCN(c4cccc(C#N)c4)C3C2)nnc1-c1cnccn1,CHEMBL3775667,7.0
+Cn1c(SCCCN2CC3CCN(c4ccc(C#N)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3775097,5.2
+Cn1c(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3774621,7.5
+Cn1c(SCCCN2CC3CCN(c4cccc(OC(F)(F)F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774895,7.0
+Cn1c(SCCCN2CC3CCN(c4ccc(OC(F)(F)F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3775386,6.5
+COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21,CHEMBL3775618,6.5
+COc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1,CHEMBL3774412,6.4
+COc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1,CHEMBL3775023,5.8
+Cc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21,CHEMBL3774927,5.5
+Cc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1,CHEMBL3775836,6.5
+Cc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1,CHEMBL3775071,6.2
+Cn1c(SCCCN2CC3CCN(c4ccccc4F)C3C2)nnc1-c1cnccn1,CHEMBL3775294,6.4
+Cn1c(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774869,6.6
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3774996,6.7
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3774783,6.433
+Cn1c(SCCCN2CC3CCN(c4cccc(C(F)(F)F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774425,7.5
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3774683,6.567
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)n1C,CHEMBL3775872,7.7
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)n1C,CHEMBL3775967,6.3
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(Cl)cc4Cl)C3C2)n1C,CHEMBL3775301,6.3
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cc(Cl)cc(Cl)c4)C3C2)n1C,CHEMBL3775338,8.0
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)n1C,CHEMBL3775005,6.8
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(OC(F)(F)F)cc4)C3C2)n1C,CHEMBL3775395,6.2
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)n1C,CHEMBL3774588,6.767
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C,CHEMBL3775589,6.6
+COc1cc2c(cc1O)C(C)N(Cc1cccc(O)c1OC)CC2,CHEMBL3780975,5.96
+COc1cc2c(cc1O)C1Cc3ccc(OCC4CC4)c(OC)c3CN1CC2,CHEMBL3780184,7.27
+COc1cc2c(cc1O)C1Cc3ccc(OCCCO)c(OC)c3CN1CC2,CHEMBL3780268,6.68
+CCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780140,6.55
+CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781840,6.92
+CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780506,7.0
+CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3779928,6.8
+COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL3780481,6.99
+COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL595489,6.94
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3)cc(N3CCN(C)CC3)nc21,CHEMBL3799638,6.26
+CCc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1,CHEMBL3798953,6.21
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3797717,6.44
+CC(C)CS(=O)(=O)n1ccc2c(-c3cccc(C(F)(F)F)c3)cc(N3CCN(C)CC3)nc21,CHEMBL3798840,6.2
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3C(F)(F)F)cc(N3CCN(C)CC3)nc21,CHEMBL3799547,6.95
+COc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1,CHEMBL3797651,7.66
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(OCc4ccccc4)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3800150,7.07
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(O)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3800539,6.97
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C#N)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3797435,6.69
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc4[nH]ccc4c3)cc(N3CCN(C)CC3)nc21,CHEMBL3798478,6.42
+Cc1cc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)c(C)s1,CHEMBL3800251,6.19
+CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(C)(=O)=O)c3n2)CC1,CHEMBL3800153,5.91
+CC(C)S(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3799120,7.6
+COCCS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3798490,7.28
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21,CHEMBL3799529,5.77
+COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800400,5.365
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800468,5.59
+COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3799455,6.995
+COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800303,7.065
+COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3799427,5.745
+COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800636,7.06
+COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3798748,7.04
+COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3800341,7.845
+COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL3797876,6.28
+COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1,CHEMBL3799593,6.58
+COc1ccccc1OCCNCCc1ccc(O)c(O)c1,CHEMBL3797758,7.195
+CCCN[C@@H]1CCC2N=C(N)SC2C1,CHEMBL3799986,7.22
+COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,CHEMBL1363,4.89
+CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL1478530,4.07
+OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,CHEMBL1263,4.49
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.04
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,5.89
+COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12,CHEMBL3799125,7.31
+COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12,CHEMBL3798017,7.59
+CN[C@@H]1Cc2cc(C#N)cc3[nH]c(=O)n(c23)C1,CHEMBL3798018,5.29
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,6.74
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,7.355
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3818940,6.36
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,6.12
+O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,CHEMBL3819403,6.8
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL3818799,6.71
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,6.87
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,7.02
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL3818398,6.67
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,7.655
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,7.995
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,7.74
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,7.62
+O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL297302,10.57
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,6.785
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,5.94
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,6.5
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.78
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,6.91
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,6.37
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,7.31
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.19
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,5.84
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,6.66
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,6.6
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,6.44
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,6.9
diff --git a/chembl_200/CHEMBL218.csv b/chembl_200/CHEMBL218.csv
new file mode 100644
index 0000000000000000000000000000000000000000..75f5f7150c613d657a977ea185a767a7ba89c38a
--- /dev/null
+++ b/chembl_200/CHEMBL218.csv
@@ -0,0 +1,2281 @@
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCC,CHEMBL429055,8.14
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCOC,CHEMBL75591,5.965
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCC,CHEMBL15566,7.52
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCCO,CHEMBL160717,6.66
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NCCO,CHEMBL423382,7.35
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC(C)C(=O)NCCO,CHEMBL158468,7.07
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCC(C)C,CHEMBL158544,5.73
+CC/C=C/C/C=C\C/C=C/C/C=C\C/C=C/CCCC(=O)NCCO,CHEMBL161521,5.83
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)CCO,CHEMBL139037,5.29
+CC1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12,CHEMBL149599,5.685
+CCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O,CHEMBL49407,7.01
+O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCN1CCOCC1,CHEMBL50925,7.15
+O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCCO,CHEMBL45730,6.99
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)C[C@@H]21,CHEMBL70625,9.09
+N=C(NS(=O)(=O)c1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158502,7.28
+C/N=C(\NS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL345466,6.66
+C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(F)cc2)=N1,CHEMBL159201,6.67
+C/N=C(\NC(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158700,7.15
+C/N=C(\NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL157591,7.44
+CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158784,7.6
+Cc1cc(C)c(S(=O)(=O)NC(=N)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)c(C)c1,CHEMBL156556,7.62
+C/N=C(\NS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL156264,7.44
+N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL160767,7.79
+C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158837,6.59
+CN/C(=N\S(=O)(=O)c1ccc(OC)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158138,7.64
+C/N=C(\NS(=O)(=O)c1c(C)cc(C)cc1C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL348174,7.27
+C/N=C(\NS(=O)(=O)c1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL347454,6.47
+C/N=C(\NS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL157149,6.53
+C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL346994,6.05
+C/N=C(\NS(=O)(=O)c1ccccc1Cl)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL348550,7.12
+C/N=C(\NS(=O)(=O)c1ccccc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158779,6.77
+C/N=C(\NS(=O)(=O)c1ccc2ccccc2c1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL351123,7.66
+CS/C(=N\S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL350924,7.78
+N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(O)(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL348299,6.15
+COc1ccc(S(=O)(=O)NC(=N)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1,CHEMBL158610,6.71
+Cc1ccc(S(=O)(=O)NC(=N)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1,CHEMBL158935,6.71
+CN(C)/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL160214,6.55
+C/N=C(\NS(=O)(=O)c1ccc(C)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL349771,6.92
+C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158785,6.23
+C/N=C(\NS(=O)(=O)c1cccc(Cl)c1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL158537,7.86
+COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL311690,5.4
+CCCCCOc1cc(/C=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)ccc1OC,CHEMBL309553,5.24
+COc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12,CHEMBL66956,6.79
+COc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1,CHEMBL63561,5.43
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCOCC3)c12,CHEMBL431363,8.1
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12,CHEMBL294591,7.62
+COc1cccc2c3c(=O)n([C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C)C5)ccc3n(CCN3CCOCC3)c12,CHEMBL527031,7.797999999999999
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c12,CHEMBL68288,6.61
+CCCCCn1ccc(C(=O)c2cccc3ccccc23)c1,CHEMBL71810,7.06
+CCCCCc1cc2c(c3c1CCCO3)C1C=C(C)CCC1C(C)(C)O2,CHEMBL114189,7.39
+CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C\C/C=C/CCC(=O)NCCO,CHEMBL161520,4.91
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N)=O,CHEMBL15150,5.02
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C4CCCCC4)SCCS3)cc1OC2(C)C,CHEMBL117033,8.73
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccccc3)cc1OC2(C)C,CHEMBL119592,7.91
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(c4ccccc4)SCCS3)cc1OC2(C)C,CHEMBL118028,7.76
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCC3)cc1OC2(C)C,CHEMBL325389,9.24
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(=O)c3ccccc3)cc1OC2(C)C,CHEMBL116784,6.53
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C,CHEMBL408123,7.17
+CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL74415,6.51
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL121768,6.36
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OCCC)cc1-2,CHEMBL124973,5.76
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL124829,6.25
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL127919,6.69
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL111724,10.0
+CCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1,CHEMBL125010,6.06
+CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL338455,7.38
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL331838,8.7
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL420173,7.85
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL124649,6.17
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL109393,8.85
+CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1,CHEMBL125061,7.48
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL411626,9.085
+C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC)cc1OC2(C)C,CHEMBL57802,8.74
+CCCCCCC(C)(C)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL56288,7.1
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL56747,6.21
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C=O)C[C@@H]21,CHEMBL59540,8.65
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21,CHEMBL58501,7.41
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL947,8.537
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C=O)C[C@H]21,CHEMBL294472,7.01
+CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1,CHEMBL57840,6.46
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,CHEMBL72374,5.69
+COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,CHEMBL73711,5.567
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1c(Cl)cccc1Cl,CHEMBL72163,5.59
+COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12,CHEMBL72324,5.34
+COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12,CHEMBL307210,5.76
+Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12,CHEMBL421685,5.18
+Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl,CHEMBL75326,5.5
+COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL72771,4.99
+Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1,CHEMBL274833,6.2
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccccc1Cl,CHEMBL75733,5.44
+Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12,CHEMBL307627,5.66
+Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12,CHEMBL73206,6.06
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(F)cc1Cl,CHEMBL307887,5.25
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1,CHEMBL75571,4.77
+COc1ccc2c(c1)c(CN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,CHEMBL308777,5.47
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)N[C@H](C)CO,CHEMBL333097,6.73
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)N[C@@H](C)CO,CHEMBL123011,6.63
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO,CHEMBL321585,7.46
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)N[C@@H](C)CO,CHEMBL120105,6.41
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)N[C@H](C)CO,CHEMBL121174,8.13
+O=C(NC1CCN(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1,CHEMBL280454,7.54
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL278236,7.48
+O=C(NN1CC2CCCC2C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br,CHEMBL15966,7.96
+O=C(c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL416535,7.49
+N#Cc1c(C(=O)NN2CC3CCCC3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL416718,8.05
+C#Cc1c(C(=O)NN2CC3CCCC3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL418544,6.11
+Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15138,7.85
+Cc1c(C(=O)NN2CC3CCCC3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15528,8.3
+Cc1c(C(=O)NN2CC3CCCC3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL418721,7.625
+Cc1c(C(=O)NCCc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15423,7.04
+CC1CCC(NC(=O)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)n2)CC1,CHEMBL15772,7.03
+COc1cc(Cl)ccc1-c1nc(C(=O)NN2CC3CCCC3C2)nn1-c1ccc(Cl)cc1Cl,CHEMBL275416,6.57
+O=C(NC1CCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1,CHEMBL279787,7.0
+O=C(NN1CC2CCCC2C1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL15877,6.79
+O=C(NN1CC2CCCC2C1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL275895,7.18
+O=C(NN1CCCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL15635,7.11
+COc1cc(Cl)ccc1-c1nc(C(=O)NC(C)C)nn1-c1ccc(Cl)cc1Cl,CHEMBL16249,6.46
+O=C(NN1CC2CCCC2C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1,CHEMBL15832,6.86
+CC(NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1,CHEMBL274983,7.18
+Cc1c(C(=O)NC(C)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15764,7.39
+CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306764,6.134
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,CHEMBL190461,5.49
+CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306529,8.02
+CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL124194,9.11
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)Nc3ccc(Cl)cc3)cc1OC2(C)C,CHEMBL138667,6.73
+CCN(CC)C(=O)CCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL344623,7.89
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc1OC2(C)C,CHEMBL140404,7.54
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1OC2(C)C,CHEMBL139475,7.72
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC#N)cc1OC2(C)C,CHEMBL138917,9.46
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCC(O)C#N)cc1OC2(C)C,CHEMBL337094,7.89
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)N(C)C)cc1OC2(C)C,CHEMBL344455,9.07
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCOc3ccc(C#N)cc3)cc1OC2(C)C,CHEMBL136120,8.67
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc1OC2(C)C,CHEMBL336658,7.22
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)Nc3ccc(Cl)cc3Cl)cc1OC2(C)C,CHEMBL140353,7.74
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(C#N)c3ccccc3)cc1OC2(C)C,CHEMBL337536,8.04
+CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL338484,9.14
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C(F)(F)F)cc2)cc1,CHEMBL181843,6.63
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(C)=O)cc2)cc1,CHEMBL359712,5.75
+CCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL181677,5.45
+CCCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL180748,5.93
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C3CC3)cc2)cc1,CHEMBL180450,4.97
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C(C)(C)C)cc2)cc1,CHEMBL180788,5.64
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)Cc3ccccc3)cc2)cc1,CHEMBL361957,6.32
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)c3ccc(C)cc3)cc2)cc1,CHEMBL360697,6.05
+COc1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)c3ccc(OC)cc3S(=O)(=O)c3ccc(OC)cc3)cc2)cc1,CHEMBL181868,5.93
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1,CHEMBL362822,7.08
+CCS(=O)(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL181288,5.71
+CCCCS(=O)(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL360306,5.95
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)c3ccccc3)cc2)cc1,CHEMBL180963,6.07
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,CHEMBL180196,5.72
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1,CHEMBL362480,6.93
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)Cc3ccccc3)cc2)cc1,CHEMBL181675,7.1
+CCCNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL361218,4.14
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)Nc3ccc(C)cc3)cc2)cc1,CHEMBL426962,4.0
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)Nc3ccc(F)cc3)cc2)cc1,CHEMBL179888,5.75
+CC(C)CN1C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)NC1=S,CHEMBL195396,5.68
+O=C1N(Cc2ccccc2)C(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL190043,5.66
+O=C1N(CCc2ccccc2)C(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL434941,5.42
+CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S,CHEMBL189056,5.66
+CC(C)N1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S,CHEMBL371614,5.44
+CCCCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S,CHEMBL364312,5.85
+CC(C)CN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S,CHEMBL192958,5.75
+C=CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S,CHEMBL192991,6.06
+O=C1N(Cc2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL192436,6.0
+CCCCN1C(=O)C(c2ccc(I)cc2)(c2ccc(I)cc2)NC1=S,CHEMBL195445,6.14
+C=CCN1C(=O)C(c2ccc(I)cc2)(c2ccc(I)cc2)NC1=S,CHEMBL190316,6.23
+CCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O,CHEMBL190411,5.26
+O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1,CHEMBL189160,5.46
+CCCCN1C(=O)NC(c2ccc(I)cc2)(c2ccc(I)cc2)C1=O,CHEMBL426455,5.74
+C=CCN1C(=O)NC(c2ccc(I)cc2)(c2ccc(I)cc2)C1=O,CHEMBL365241,5.76
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21,CHEMBL334533,7.725
+CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL189676,8.46
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1,CHEMBL177403,6.64
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1,CHEMBL558785,6.45
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1,CHEMBL174163,7.54
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1,CHEMBL368660,7.26
+Cc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL369205,7.57
+Cc1c(C(=O)NN2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175478,7.19
+Cc1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL367672,6.71
+Cc1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL368547,7.48
+Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175650,7.46
+Cc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL176022,7.46
+Cc1c(C(=O)N[C@H]2CC[C@H](O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL176198,6.4
+Cc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL173662,6.76
+Cc1c(C(=O)N2CCc3ccccc3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175291,7.47
+Cc1c(C(=O)NC2CC3CCC2C3)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL177393,7.72
+Cc1c(C(=O)NOC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL360138,6.48
+Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL178799,6.77
+CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C,CHEMBL369314,6.08
+Cc1c(C(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL178428,7.03
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Cl,CHEMBL436471,7.57
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br,CHEMBL427497,7.64
+N#Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL369072,7.52
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF,CHEMBL177990,7.44
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl,CHEMBL439657,6.39
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL558564,6.42
+CCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL426585,7.85
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL368749,7.52
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1,CHEMBL175292,7.22
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1,CHEMBL175368,7.28
+COc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCCCC3)c2C)cc1,CHEMBL175369,6.97
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,CHEMBL175247,5.6
+C/N=C(\NS(=O)(=O)N(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL372650,6.65
+CCN(CC)S(=O)(=O)N/C(=N\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL195050,7.52
+C/N=C(\NS(=O)(=O)N(C)C(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL371829,7.49
+CCN(C)S(=O)(=O)N/C(=N\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL364300,6.93
+C/N=C(\NS(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL196989,6.64
+C/N=C(\NS(=O)(=O)N1CCCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL197040,6.81
+C/N=C(\NS(=O)(=O)N1CCCCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL197099,6.9
+C/N=C(\NS(=O)(=O)N1CCSCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL383580,7.62
+CCN(CC)S(=O)(=O)N/C(=N\C)N1CC(c2cccnc2)C(c2ccc(Cl)cc2)=N1,CHEMBL196048,6.85
+CCN(CC)S(=O)(=O)N/C(=N\C(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL194566,7.22
+CC/N=C(\NS(=O)(=O)N(CC)CC)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL372697,6.68
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL195958,6.82
+C/N=C(\NS(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL194351,7.12
+C/N=C(\NS(=O)(=O)N1CCS(=O)(=O)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL425912,6.08
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1081285,7.24
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1788275,6.12
+CCCCCCCC/C=C/C(=O)Nc1ccc(OC)cc1,CHEMBL198132,5.31
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(c2ccc(F)cc2)CC1,CHEMBL200049,6.52
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL197969,6.22
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(c2ccc(C)c(C)c2)CC1,CHEMBL373223,6.4
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC)cc1OC,CHEMBL197601,6.7
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1cc(OC)ccc1OC,CHEMBL381634,6.3
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)Nc1ccc(O)cc1,CHEMBL39878,5.785
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc(N2CCOCC2)cc1,CHEMBL199873,6.82
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccc(OC)cc1OC,CHEMBL425217,6.3
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(OC)cc1,CHEMBL371881,5.62
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCc1ccc(OC)cc1,CHEMBL198079,6.22
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)cc1,CHEMBL200094,6.3
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(OC)cc1OC,CHEMBL199649,6.16
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1cc(OC)cc(OC)c1,CHEMBL199402,5.945
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(OC)cc1,CHEMBL199702,6.46
+CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OC)cc1,CHEMBL372530,6.26
+CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(OC)cc1,CHEMBL199960,5.81
+CCCCCCCC/C=C\CCCCCCCCCCCC(=O)Nc1ccc(N2CCOCC2)cc1,CHEMBL199906,5.19
+CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCc1ccc(OC)cc1OC,CHEMBL200121,5.43
+CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCc1cc(OC)cc(OC)c1,CHEMBL199870,5.27
+CCCCCCCC/C=C/C(=O)NCCc1cc(OC)cc(OC)c1,CHEMBL373056,5.55
+CCCCCCCC/C=C/C(=O)NCCc1ccc(OC)cc1,CHEMBL198182,5.62
+CCCCCn1cc(C(=O)NC2CCCc3ccccc32)c(=O)c2ccccc21,CHEMBL380610,5.98
+CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc21,CHEMBL264521,5.72
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21,CHEMBL201571,7.38
+CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL199907,5.39
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21,CHEMBL200143,5.94
+COc1ccc(N2C(=O)C(c3ccccc3)N(c3ccc(OC)cc3)C2=S)cc1,CHEMBL199914,5.15
+Cc1ccc(N2C(=O)C(c3ccccc3)N(c3ccc(C)cc3)C2=S)cc1,CHEMBL381892,5.3
+O=C1C(c2ccccc2)N(c2cccc(I)c2)C(=S)N1c1cccc(I)c1,CHEMBL199410,6.16
+O=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=S)N1c1ccc(Br)cc1,CHEMBL381922,5.84
+O=C1C(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccc(Cl)c(Cl)c1,CHEMBL201680,5.7
+O=C1C(c2ccccc2)N(c2ccc(Cl)cc2)C(=S)N1c1ccc(Cl)cc1,CHEMBL373196,5.66
+O=C1C(c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1,CHEMBL201667,5.2
+O=C1C(c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL201383,6.04
+O=C1C(c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1,CHEMBL383100,5.48
+O=C1C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL381560,5.73
+COc1ccc(N2C(=O)C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1,CHEMBL203044,5.19
+O=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1,CHEMBL383287,6.61
+O=C1C(c2ccccc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1,CHEMBL201291,5.68
+O=C1C(c2ccccc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL380415,6.45
+O=C1C(c2ccc(Br)cc2)N(c2ccccc2)C(=O)N1c1ccccc1,CHEMBL199671,5.4
+O=C1C(c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1,CHEMBL383636,5.18
+O=C1C(c2ccccc2)N(c2ccccc2)C(=O)N1c1ccccc1,CHEMBL381136,5.2
+O=C1C2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2N=CN1CC(F)(F)F,CHEMBL201520,9.0
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2cnn1CC(F)(F)F,CHEMBL381858,8.25
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F,CHEMBL379246,9.0
+CC(C)c1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F,CHEMBL201582,8.055
+CCc1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F,CHEMBL425762,8.76
+Cc1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F,CHEMBL201602,9.11
+O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2ncn1CC(F)(F)F,CHEMBL380937,7.55
+O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2ncn1C1CCCCC1,CHEMBL201929,7.42
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CCF,CHEMBL202583,8.41
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)F,CHEMBL201565,9.11
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CCC(F)(F)F,CHEMBL204339,8.57
+CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O,CHEMBL425047,9.85
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F,CHEMBL204188,9.76
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1Cc1ccccc1,CHEMBL379667,8.35
+CCCn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O,CHEMBL203925,8.7
+CCn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O,CHEMBL202419,8.4
+CC(C)n1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O,CHEMBL201862,7.68
+CCC(CC)n1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O,CHEMBL201924,7.59
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1N1CCCCC1,CHEMBL201923,7.81
+O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1C1CCCCC1,CHEMBL370560,7.7
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,CHEMBL280065,5.96
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ONCCO,CHEMBL203380,5.46
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(O)CCO,CHEMBL204403,5.41
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NOCCO,CHEMBL382444,6.33
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cc(I)ccc1[N-][N+]#N,CHEMBL208548,6.24
+Cc1c(/C=C/N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL385964,6.6370000000000005
+Cc1c(/C=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL386832,7.263
+C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,CHEMBL220360,9.52
+CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1,CHEMBL224105,5.89
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1,CHEMBL374811,5.52
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NC1CC1,CHEMBL375290,5.26
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1,CHEMBL223223,5.48
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1,CHEMBL426923,6.68
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NCCO,CHEMBL223990,5.95
+CCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O,CHEMBL223991,6.74
+O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1,CHEMBL224058,5.3
+O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)NC1CC1,CHEMBL224002,5.37
+CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NCCO)c1,CHEMBL225425,4.9
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1,CHEMBL427100,5.52
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL225506,8.28
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL224259,6.1
+O=C1N(c2ccc(Cl)cc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL225003,5.56
+O=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL388399,5.46
+S=C(Nc1ccc(Cl)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL224697,5.82
+S=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL224905,5.72
+S=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL224904,5.74
+S=C(Nc1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL391003,5.54
+O=C(Nc1ccc(Br)cc1)NC(c1ccc(I)cc1)c1ccc(I)cc1,CHEMBL388398,6.12
+O=C(Nc1ccc(Br)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL427241,6.3
+O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL224627,6.19
+O=C(Nc1ccc(Br)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL436309,5.9
+O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL224113,5.96
+O=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL224748,5.54
+O=C(Nc1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL375286,5.15
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)NCCO)c1,CHEMBL228346,6.89
+CCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL229872,8.28
+CCCCCCc1ccc(OCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL228510,7.25
+CCCCCCc1ccc(OCCCCCCCC(=O)NCCO)cc1O,CHEMBL228509,6.72
+CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NC1CC1,CHEMBL374369,7.89
+CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NCCO,CHEMBL228508,6.77
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCc1ccc(OC)c(O)c1,CHEMBL388393,5.55
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL228507,5.68
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCC1CC1,CHEMBL228457,6.12
+CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NC1CC1,CHEMBL228456,6.51
+CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NCCO,CHEMBL228455,6.59
+CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL228405,6.12
+CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1,CHEMBL228404,7.22
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1,CHEMBL228403,5.68
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1,CHEMBL228349,6.25
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL228348,6.29
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1,CHEMBL228347,7.8
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,CHEMBL230356,8.66
+COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1,CHEMBL390000,7.13
+COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(N2CCCCC2)C3=O)cc1,CHEMBL231202,7.7
+Cc1c2c(n(-c3ccccc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,CHEMBL231201,8.46
+COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(C2CCCCC2)C3=O)cc1,CHEMBL231096,8.12
+Cc1c2c(n(-c3c(Cl)cccc3Cl)c1-c1ccc(Cl)cc1)CCN(C1CCCCC1)C2=O,CHEMBL389539,6.7
+Cc1c2c(n(-c3ccccc3Cl)c1-c1ccc(Cl)cc1)CCN(C1CCCCC1)C2=O,CHEMBL230992,8.55
+Cc1cn(-c2ccc(Cl)cc2Cl)c2c1C(=O)N(C1CCCCC1)CC2,CHEMBL230991,6.62
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1cccnc1)CCN(C1CCCCC1)C2=O,CHEMBL230990,6.41
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1cccc(N)c1)CCN(C1CCCCC1)C2=O,CHEMBL230784,6.35
+COc1ccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)cc1OC,CHEMBL230782,8.26
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(N)cc1)CCN(C1CCCCC1)C2=O,CHEMBL230573,6.04
+C=Cc1ccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)cc1,CHEMBL387782,8.01
+COc1ccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)cc1,CHEMBL230572,8.1
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(C(F)(F)F)cc1)CCN(C1CCCCC1)C2=O,CHEMBL230571,8.39
+Cc1ccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)cc1,CHEMBL230466,8.0
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(F)cc1)CCN(C1CCCCC1)C2=O,CHEMBL396799,8.22
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(C1CCCCC1)C2=O,CHEMBL396798,8.12
+CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1,CHEMBL231118,8.43
+O=C(N[C@H]1CCCC[C@@H]1O)c1nc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)c1Br,CHEMBL396739,7.72
+CC(C)c1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL230802,7.74
+CCCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL396984,8.0
+CCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL230801,8.24
+CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL230800,8.3
+Cc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL395026,8.16
+O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL395322,7.77
+O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL230583,7.39
+O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL395321,7.74
+O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229967,8.2
+O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL390545,7.66
+O=C(N[C@@H]1CCC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229966,7.12
+O=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229965,7.54
+O=C(N[C@@H]1CCCC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229915,7.01
+O=C(N[C@H]1CCCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229914,7.54
+O=C(NC1CCCCC1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL389198,7.66
+CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL229913,6.04
+CN[C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL229859,6.21
+N[C@@H]1CCCC[C@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL388987,6.03
+N[C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL229858,6.57
+O=C(NC1CCCCC1)c1cn(-c2cccnc2)c(-c2ccccc2Cl)n1,CHEMBL387646,5.96
+CN(C(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)C1CCCCC1,CHEMBL229803,7.47
+CC1CCC(n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)CC1,CHEMBL229802,7.77
+COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1,CHEMBL229801,7.02
+CCc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1,CHEMBL387645,7.41
+Cc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1,CHEMBL439375,7.68
+O=C(NC1CCCCC1)c1cn(-c2ccc(F)cc2)c(-c2ccccc2Cl)n1,CHEMBL229751,7.7
+COc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)cc1,CHEMBL229750,8.05
+Cc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)cc1,CHEMBL229749,8.34
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL389175,8.66
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1,CHEMBL389174,7.44
+Cc1ccc(-c2nc(C(=O)NC3CCCCC3)cn2-c2ccc(Cl)cc2)c(C)c1,CHEMBL229698,8.14
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2)n1,CHEMBL425662,6.89
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2cc(Cl)ccc2Cl)n1,CHEMBL390544,7.6
+O=C(NC1CCCCC1)c1cn(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL229584,8.09
+COc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2Cl)cc1,CHEMBL229583,8.31
+Cc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2Cl)cc1,CHEMBL390543,8.72
+O=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL160963,8.11
+CCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL228372,5.59
+CCCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL228798,5.7
+CCCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL436801,5.85
+Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1F,CHEMBL232782,4.64
+CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,CHEMBL244403,7.46
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CO)c1,CHEMBL233182,6.44
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(C(N)=O)c1,CHEMBL233181,6.43
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(N)c1,CHEMBL234239,7.1
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN2CCOCC2)c1,CHEMBL233185,5.41
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(COC(=O)CN2CCOCC2)c1,CHEMBL233184,6.43
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN)c1,CHEMBL434390,5.82
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL234209,6.49
+CCCCCCC(C)(C)c1ccc(-c2cccnc2)c(O)c1,CHEMBL234207,7.64
+CCCCCCC(C)(C)c1ccc(-c2cccc(C#N)c2)c(O)c1,CHEMBL238119,7.57
+CCCCCCC(C)(C)c1ccc(-c2ccc(N)cc2)c(O)c1,CHEMBL391136,6.49
+CCCCCCC(C)(C)c1ccc(-c2cccc(N)c2)c(O)c1,CHEMBL237897,7.82
+CCCCCCC(C)(C)c1ccc(-c2ccccc2N)c(O)c1,CHEMBL234897,8.28
+CCCCCCC(C)(C)c1ccc(-c2ccc(OC)c(OC)c2)c(O)c1,CHEMBL237895,5.85
+CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2)c(O)c1,CHEMBL234845,7.04
+CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2OC)c(O)c1,CHEMBL427843,7.47
+CCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1,CHEMBL234678,8.77
+CCCCCCC(C)(C)c1ccc(-c2ccc(C)c(C)c2)c(O)c1,CHEMBL234677,6.22
+CCCCCCC(C)(C)c1ccc(-c2cccc(C)c2C)c(O)c1,CHEMBL391134,7.31
+CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C)c(O)c1,CHEMBL232411,8.34
+CCCCCCC(C)(C)c1ccc(-c2c(C)cccc2C)c(O)c1,CHEMBL232410,8.77
+CNC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL391133,7.02
+CNC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL234842,6.08
+Cc1cc(C)cc(-c2ccc(C(C)(C)CCCCCO)cc2O)c1,CHEMBL234675,7.41
+Cc1cc(C)cc(-c2ccc(C(C)(C)CCCO)cc2O)c1,CHEMBL396628,5.96
+Cc1cc(C)cc(-c2ccc(C(C)(C)CO)cc2O)c1,CHEMBL234016,5.66
+COC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL233637,7.62
+COC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL234014,6.92
+COC(=O)C(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL391380,6.8
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCCC1,CHEMBL233636,8.74
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCC1,CHEMBL233634,8.54
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CC1,CHEMBL233633,7.89
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCCN2C,CHEMBL233139,7.07
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2nonc12,CHEMBL232538,6.61
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2nsnc12,CHEMBL232336,7.36
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2ncccc12,CHEMBL398145,6.12
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2ccccc12,CHEMBL232328,7.52
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc2c(c1)CCCC2,CHEMBL232118,6.4
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCCC2,CHEMBL232116,7.82
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCC2,CHEMBL234175,6.61
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc(C)c1C,CHEMBL232132,6.94
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1OC(F)(F)F,CHEMBL393188,6.15
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1C(F)(F)F,CHEMBL232131,6.38
+CCOc1ccccc1/N=C1\SCC2(CCCCC2)CN1C(=S)SC,CHEMBL232130,6.45
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C#N)cc1,CHEMBL393045,6.76
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(OC(F)(F)F)cc1,CHEMBL232129,5.82
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C(F)(F)F)cc1,CHEMBL231935,5.76
+CCCc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL231934,6.29
+CCc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL392842,7.02
+COc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL231933,6.17
+COc1cccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)c1,CHEMBL231932,6.97
+COc1ccccc1/N=C1\SCC2(CCCCC2)CN1C(=S)SC,CHEMBL231721,7.89
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C(C)C)cc1,CHEMBL392841,5.9
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc(C(C)C)c1,CHEMBL231719,7.0
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL443842,6.91
+CSC(=S)N1CC2(CCCC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL232929,6.27
+O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1,CHEMBL239703,6.54
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C,CHEMBL382684,7.02
+C=C(CCCCCC)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL239840,8.66
+CCCCCCC(=O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL418555,7.66
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2(Br)Br)cc1O,CHEMBL394006,6.72
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Br)Br,CHEMBL118631,9.15
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2(Cl)Cl)cc1O,CHEMBL238972,6.18
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl,CHEMBL120669,8.86
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O,CHEMBL394305,7.23
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL19847,9.27
+CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL67464,7.66
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,CHEMBL236171,5.9
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL267227,7.388999999999999
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL108868,9.35
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SC(C)C(C)S1,CHEMBL325135,7.49
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCCS1,CHEMBL108392,8.74
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)Sc2ccccc2S1,CHEMBL322112,7.24
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1,CHEMBL108085,9.285
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O,CHEMBL239208,6.87
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1,CHEMBL476325,9.49
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3SCCS3)cc1OC2(C)C,CHEMBL111345,6.77
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O,CHEMBL400040,6.5
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCCC3)cc1OC2(C)C,CHEMBL205888,8.08
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCC2)cc1O,CHEMBL238781,6.59
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCC3)cc1OC2(C)C,CHEMBL206859,7.55
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O,CHEMBL238570,6.12
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cccc4ccccc34)cc1OC2(C)C,CHEMBL381492,7.93
+CCCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL205908,7.24
+CCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL203131,6.92
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(-c2ccc(C)cc2)cc1O,CHEMBL241758,6.2
+Cc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCCCC1,CHEMBL245876,8.52
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1,CHEMBL246776,6.72
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCCCC2)cc1,CHEMBL394281,7.24
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)NC(C)(C)C)cc1,CHEMBL246571,6.87
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N2CCOCC2)cc1,CHEMBL247574,6.85
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N(C)C)cc1,CHEMBL393032,6.94
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2NC2CC2)cc1,CHEMBL246570,7.84
+CNc1cccc(F)c1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc1,CHEMBL393031,7.66
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(N)cccc2F)cc1,CHEMBL245350,8.39
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ncccn2)cc1,CHEMBL430196,7.68
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccn2)cc1,CHEMBL246351,8.44
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2F)cc1,CHEMBL246350,8.24
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(N3CCNCC3)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL397850,5.96
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(NC3CC3)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL246552,8.31
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(N)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL397855,8.0
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(C3CC3)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245983,8.85
+Cc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1,CHEMBL245981,8.96
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245784,8.6
+COCCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1,CHEMBL396169,8.6
+CCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1,CHEMBL245782,9.05
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL247978,8.3
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(O)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245961,8.89
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245959,7.6
+C[C@H](NCCC(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245760,7.77
+C[C@H](NCC(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245957,8.15
+C[C@H](N)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL247175,5.4
+C[C@H](NC(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL396368,8.43
+CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245944,7.22
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)NS(C)(=O)=O)cc1,CHEMBL438495,5.56
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N(C)C)cc1,CHEMBL429471,5.9
+CNS(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1,CHEMBL246146,5.9
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)C2CCCCC2)cc1,CHEMBL245975,8.05
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2cccc3cccnc23)cc1,CHEMBL392850,6.69
+Cc1occc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1,CHEMBL245779,6.89
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2cccc[n+]2[O-])cc1,CHEMBL245778,6.92
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccn2)cc1,CHEMBL245777,8.54
+CCCS(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1,CHEMBL391363,6.51
+CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,CHEMBL393837,7.85
+Cc1ccc(-c2ncc(C(=O)N[C@@H](C(N)=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL247747,6.62
+Cc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)nc2-c2ccc(C)cc2)cc1,CHEMBL247553,6.98
+Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@H]3CO)nc2-c2ccc(C)cc2)cc1,CHEMBL394295,7.3
+Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CO)nc2-c2ccc(C)cc2)cc1,CHEMBL247552,6.78
+Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3O)nc2-c2ccc(C)cc2)cc1,CHEMBL397387,6.52
+CCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1,CHEMBL248125,6.8
+Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL245665,6.5
+Cc1ccc(-c2ncc(C(=O)N[C@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL245469,6.63
+Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL394332,6.34
+Cc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL245468,7.35
+Cc1ccc(-c2ncc(C(=O)NC3Cc4ccccc4C3O)nc2-c2ccc(C)cc2)cc1,CHEMBL245467,7.48
+Cc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1,CHEMBL247712,5.07
+CCC(COCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1,CHEMBL247517,6.69
+Cc1ccc(-c2ncc(C(=O)NC(C)COc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1,CHEMBL247516,7.41
+Cc1ccc(-c2ncc(C(=O)NCCCN(C)c3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL396695,7.6
+Cc1ccc(-c2ncc(C(=O)NC(C)CCc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL247515,8.3
+Cc1ccc(-c2ncc(C(=O)NCCOc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL398114,6.2
+Cc1ccc(-c2ncc(C(=O)NCCCc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL246063,7.74
+Cc1ccc(-c2ncc(C(=O)NCC3CC3)nc2-c2ccc(C)cc2)cc1,CHEMBL245860,6.75
+Cc1ccc(-c2ncc(C(=O)NCC3CCCCC3)nc2-c2ccc(C)cc2)cc1,CHEMBL395923,7.23
+Cc1ccc(-c2ncc(C(=O)N(C)Cc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL397311,6.96
+Cc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL225242,6.29
+Cc1ccc(-c2ncc(C(=O)NCCC(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL246478,6.75
+Cc1ccc(-c2ncc(C(=O)NC(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL246477,6.18
+CCNC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1,CHEMBL246476,5.62
+CNC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1,CHEMBL246273,5.41
+Cc1ccc(-c2ncc(C(=O)NN3CCCCC3)nc2-c2ccc(C)cc2)cc1,CHEMBL226223,7.28
+CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL391858,8.07
+CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL240527,6.88
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCC#N)c1,CHEMBL393344,8.26
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCC[N-][N+]#N)c1,CHEMBL240315,8.56
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCBr)c1,CHEMBL240314,8.05
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCO)c1,CHEMBL240313,7.1
+CCCCCCC(C)(C)c1ccccc1/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO,CHEMBL393343,7.06
+CCCCCCC(C)(C)c1ccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)cc1,CHEMBL240100,6.71
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(Cc1ccccc1)C2,CHEMBL251004,5.9
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CCC1CCCCC1)C2,CHEMBL251003,5.56
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CCCCC1)C2,CHEMBL250810,6.47
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)C2,CHEMBL250809,6.75
+CCCCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL250808,6.47
+CCCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL400399,6.22
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C(C)C)C2,CHEMBL250609,6.38
+C=CCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL250608,6.58
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCCO1)C2,CHEMBL250607,5.21
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)C2,CHEMBL250194,5.52
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)C2,CHEMBL399346,6.01
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CCC(C)C)ccc31)CN(C1CCCC1)C2,CHEMBL249992,5.83
+CCCCN(C)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CN(C2CCCC2)C1,CHEMBL399949,6.11
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)C(C)C)ccc31)CN(C1CCCC1)C2,CHEMBL249786,5.14
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(OC)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL399948,5.67
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(F)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL399316,5.54
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCCC1)C2,CHEMBL250493,6.09
+CC(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL400051,5.63
+CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL250491,6.71
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)C3CC3)CN(C3CCCC3)C2)CC1,CHEMBL404211,6.86
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)C(C)C)CN(C3CCCC3)C2)CC1,CHEMBL401480,6.82
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL249025,7.18
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(C)(=O)=O)CN(C3CCCC3)C2)CC1,CHEMBL249024,6.55
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3Cc3ccccc3)CN(C3CCCC3)C2)CC1,CHEMBL400887,6.18
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL250026,6.16
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CN(C3CCCC3)C2)CC1,CHEMBL249827,5.74
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccccc3)CN(C3CCCC3)C2)CC1,CHEMBL250626,6.59
+CCCCCc1cc(O)c2c(c1)CC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL250427,7.7
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1,CHEMBL250565,6.25
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl,CHEMBL151167,8.28
+O=c1c2cn(CCN3CCOCC3)c3ccccc3c-2nn1-c1ccccc1,CHEMBL251163,5.55
+O=c1c2cn(Cc3ccccc3)c3cc(Cl)ccc3c-2nn1C1CCCCC1,CHEMBL250966,6.25
+O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1C1CCCCC1,CHEMBL398646,6.21
+Nc1ccc2c(=O)cc(C(=O)NC3CCCCC3)n(Cc3ccccc3)c2n1,CHEMBL250965,5.25
+O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O,CHEMBL250769,6.54
+O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O,CHEMBL250768,7.77
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(CCN3CCOCC3)c2c1,CHEMBL398446,5.53
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2c1,CHEMBL250767,6.77
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCBr)cc1OC2(C)C,CHEMBL199561,9.37
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCC[N-][N+]#N)cc1OC2(C)C,CHEMBL102270,7.72
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Oc3ccccc3)cc1OC2(C)C,CHEMBL398907,6.53
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCCC3)cc1OC2(C)C,CHEMBL252949,9.03
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C,CHEMBL252947,9.47
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL434351,8.17
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCC(C)C)cc1OC2(C)C,CHEMBL252743,6.85
+CCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL252742,8.57
+CCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL398905,8.41
+CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL252536,7.96
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C)cc1OC2(C)C,CHEMBL276083,7.85
+N#Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c1-n1cccc1,CHEMBL411112,6.55
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL410912,5.8
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL410913,5.55
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL408968,5.55
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL271824,7.85
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL259042,6.55
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL259255,7.55
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL272203,8.25
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL272035,7.46
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL261381,7.535
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL261382,7.38
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL410727,7.55
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL259476,7.42
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL406924,7.25
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL259684,7.43
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL410728,5.73
+Cc1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C(=O)NCc1ccc(Cl)c(Cl)c1,CHEMBL270749,5.55
+N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1,CHEMBL271610,5.55
+Cc1c(C(=O)NCC2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1,CHEMBL271783,6.96
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1,CHEMBL271988,6.96
+O=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1,CHEMBL410496,6.55
+O=C(NN1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1,CHEMBL428610,5.55
+Cc1c(C(=O)NC2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL271782,7.55
+Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL271611,6.96
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1cccc1,CHEMBL411041,6.55
+Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1cccc1,CHEMBL260095,5.74
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL269919,7.46
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL409150,7.46
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL272616,5.8
+CCN(Cc1ccccc1)C(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL428779,7.04
+Cc1c(C(=O)N2CCCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272944,6.71
+Cc1c(C(=O)N(C)CCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL256234,6.76
+Cc1c(C(=O)NCCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL256036,6.7
+Cc1c(C(=O)NC2CCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL404574,6.97
+CCCCNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL409343,7.03
+Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL271500,7.05
+Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL407462,7.21
+Cc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)cc1,CHEMBL257714,7.1
+CCOc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL257713,7.01
+COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL257715,7.24
+Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL406675,7.24
+Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272138,7.23
+Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272350,7.11
+Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272139,8.3
+O=C(c1cc2c(cc1F)O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL258539,8.48
+O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CC=C(c2ccc(F)cc2)CC1,CHEMBL259339,7.89
+Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2,CHEMBL263129,6.29
+N#Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2,CHEMBL263128,6.56
+O=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1,CHEMBL263390,6.06
+O=C(c1cc2c(cc1Cl)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1,CHEMBL405888,6.67
+O=S(=O)(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1,CHEMBL409471,8.52
+O=S(=O)(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCOCC1,CHEMBL410247,7.6
+O=S(=O)(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL262857,8.05
+O=C(c1cc2c(cc1F)OC(c1ccccc1F)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL408427,8.4
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(F)cc1)O2)N1CCOCC1,CHEMBL259699,7.74
+CO[C@H]1CCCN1C(=O)c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2,CHEMBL409441,7.34
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1,CHEMBL259654,8.22
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCOCC1,CHEMBL409217,8.15
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL259656,8.4
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCCCC1,CHEMBL258753,8.4
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCCCC1,CHEMBL410339,9.0
+COc1ccc(C2(c3ccc(Cl)cc3Cl)Oc3cc(F)c(C(=O)N4CCCCC4)cc3O2)cc1,CHEMBL263391,8.7
+O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(F)cc1)O2)N1CCCCC1,CHEMBL409472,8.15
+O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,CHEMBL260625,7.96
+O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1,CHEMBL410248,7.82
+O=C(c1cc2c(cn1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,CHEMBL262858,7.89
+O=C(c1ccc2c(c1)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL260810,7.52
+O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1,CHEMBL260284,7.3
+O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,CHEMBL259425,7.55
+O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,CHEMBL411054,7.42
+O=C(c1cc2c(cc1F)O[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1,CHEMBL261037,7.46
+CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccc(S(C)(=O)=O)cc21,CHEMBL259651,6.96
+O=C(CC(c1ccccc1)c1ccccc1)N1CC=C(c2ccc(Cl)cc2)CC1,CHEMBL259652,5.82
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C,CHEMBL262865,6.05
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(-c4ccccc4)ccc23)C1(C)C,CHEMBL411244,6.64
+COC(=O)c1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL271810,7.6
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(C#N)ccc23)C1(C)C,CHEMBL410655,7.505
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C,CHEMBL272189,5.73
+COCc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL406399,5.77
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(C#N)cc23)C1(C)C,CHEMBL409647,5.48
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C,CHEMBL409537,5.39
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C,CHEMBL411937,6.005
+COc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CCN3CCOCC3)c2c1,CHEMBL409265,5.89
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4c(cc23)OCO4)C1(C)C,CHEMBL272868,7.55
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C,CHEMBL272176,6.4
+COc1cc2c(cc1O)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL270125,6.11
+COc1cc2c(cc1OCc1ccccc1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL270987,5.55
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C,CHEMBL271565,5.96
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C,CHEMBL270546,7.48
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C,CHEMBL272876,6.622999999999999
+COc1cccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c12,CHEMBL411631,7.35
+COc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL269851,7.4
+COc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL272882,6.55
+COc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL408964,5.96
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C,CHEMBL270082,6.61
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C,CHEMBL270955,6.69
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C,CHEMBL259253,6.41
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(S(C)(=O)=O)ccc23)C1(C)C,CHEMBL271527,5.9
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(C(F)(F)F)ccc23)C1(C)C,CHEMBL410441,7.155
+Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL271839,7.553
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C,CHEMBL271838,7.885
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C,CHEMBL411674,7.855
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C,CHEMBL259463,5.715
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C,CHEMBL410676,6.295
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C,CHEMBL410677,5.92
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C,CHEMBL409669,7.18
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C,CHEMBL271158,7.915
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(-c3cccnc3)cc2)c1CO,CHEMBL412071,8.24
+COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1,CHEMBL411481,6.85
+COc1ccc([C@@H]2[C@@H](Cc3cc4ccccc4o3)C(=O)N2c2ccccc2)cc1,CHEMBL259646,6.08
+CC(=O)SC(CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1,CHEMBL259562,7.28
+O=C1[C@@H](CCC(O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1,CHEMBL409927,6.52
+COc1ccc(C2C(CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1,CHEMBL410337,6.35
+COc1ccc([C@@H]2[C@@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1,CHEMBL261595,6.61
+CC(C)Cn1nnc(Cc2ccc(-c3ccccc3)cc2)n1,CHEMBL255904,5.8
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL403628,5.89
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL256503,5.89
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CHEMBL404697,5.7
+O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL403627,5.96
+O=C(NCc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL256748,5.74
+COc1cccc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1,CHEMBL256749,5.85
+Cc1ccc(C(=O)NC(C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL404457,5.89
+Cc1ccc(C(=O)NC2C(C)CCCC2C)cc1S(=O)(=O)N1CCOCC1,CHEMBL255681,6.33
+Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL404650,6.27
+Cc1ccc(C(=O)NC(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL258242,6.51
+Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL258244,6.59
+Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL258243,7.04
+Cc1ccc(C(=O)N[C@H]2CC3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL255096,7.3
+Cc1ccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL442447,7.11
+Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1S(=O)(=O)N1CCOCC1,CHEMBL256110,7.48
+Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL255474,6.89
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL256752,7.03
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CHEMBL256753,6.96
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL256962,7.05
+O=C(NCCC(c1ccccc1)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1,CHEMBL476317,6.55
+O=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1,CHEMBL517815,6.1
+O=C(Cc1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1,CHEMBL478856,5.8
+O=C(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1,CHEMBL502133,6.25
+O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Br)cc1,CHEMBL478643,5.72
+O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1,CHEMBL476545,5.66
+O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL476336,5.47
+Nc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL479095,6.05
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1,CHEMBL518595,6.25
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1,CHEMBL479094,6.25
+Cc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL476576,6.25
+COc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL478210,6.25
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(Br)cc1,CHEMBL475910,6.66
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1,CHEMBL475909,6.25
+O=C(NCCC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL478625,5.66
+CC(C(=O)NCCC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL478624,6.25
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL476529,7.24
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cccc2c1OC(C)(C(C)(C)C)O2,CHEMBL513597,5.55
+O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2,CHEMBL483749,8.6
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1S2,CHEMBL482566,9.5
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(N1CCC(F)(F)CC1)c1ccccc1S2,CHEMBL482567,9.1
+CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2,CHEMBL484952,9.7
+CCCCNC(=O)c1ccc2c(c1)N=C(c1ccccc1Cl)c1ccccc1S2,CHEMBL482771,7.6
+CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(F)c(Cl)c1)c1ccccc1S2,CHEMBL520349,9.7
+CC(C)CNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)s1)c1ccccc1S2,CHEMBL485181,8.9
+CC(C)CCNC(=O)c1ccc2c(c1)N=C(c1ccccn1)c1ccccc1S2,CHEMBL520509,8.8
+CCCC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2,CHEMBL485182,7.4
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@@H]1O,CHEMBL474488,7.71
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@@H]1O,CHEMBL485369,7.55
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@H]1O,CHEMBL485368,7.7
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@H]1O,CHEMBL475904,7.725
+CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]1O,CHEMBL483143,6.09
+CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H]1O,CHEMBL483144,5.85
+CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H]1C[C@@H]1O,CHEMBL472661,6.185
+CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H]1C[C@H]1O,CHEMBL472662,6.195
+O=C1NCCc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL521173,7.21
+CC(C)N1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL485013,8.43
+CC(C)(C)N1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL518982,8.145
+O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1C1CCCC1,CHEMBL482986,7.62
+COC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL519863,7.925
+O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1CC(F)(F)F,CHEMBL485538,8.64
+CC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL483543,9.125
+CC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1,CHEMBL483544,7.52
+O=C1NCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL520315,7.08
+O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2OCCN1CC(F)(F)F,CHEMBL482742,8.77
+CC(F)(F)CN1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL484929,9.045
+CCC(F)(F)CN1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL520345,9.0
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(OCC)cc21,CHEMBL497681,7.53
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21,CHEMBL497326,6.8
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc21,CHEMBL497325,7.84
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21,CHEMBL525528,7.52
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(-n3cccc3)cc21,CHEMBL497321,6.85
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(OC)ccc(OC)c21,CHEMBL498131,5.68
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Sc3ccccc3)ccc21,CHEMBL524456,6.19
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL498297,6.0
+C=CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL500415,6.16
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc21,CHEMBL500414,6.13
+C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL526153,5.57
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21,CHEMBL502276,5.91
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(F)(F)F)ccc21,CHEMBL524884,5.6
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(/C=C/c3ccc(OC)cc3)ccc21,CHEMBL524731,5.58
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(S(=O)c3ccccc3)cc21,CHEMBL496659,7.55
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(S(=O)(=O)c3ccccc3)cc21,CHEMBL507019,8.21
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL498527,8.28
+Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccc(F)cc3)c2n1,CHEMBL497304,7.82
+N=C(NS(=O)(=O)c1ccc(I)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL460796,9.52
+N#Cc1ccc(S(=O)(=O)NC(=N)N2C[C@@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1,CHEMBL461855,7.77
+N#Cc1ccc(S(=O)(=O)NC(=N)N2C[C@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1,CHEMBL459730,9.3
+N=C(NS(=O)(=O)c1ccc(I)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL460797,7.76
+CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)CC1,CHEMBL507595,4.8
+O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL454951,6.07
+CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)CC1,CHEMBL453106,5.59
+O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL461598,6.0
+O=C(NC1CCCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL518505,5.96
+O=C(NN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL461737,5.89
+O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL474125,6.68
+O=C(NC1CCCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL516381,5.96
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2ccccc12,CHEMBL516406,8.03
+CSC(=O)N1CC2(CCCCC2)CS/C1=N\c1cccc2ccccc12,CHEMBL475772,7.31
+CSC(=O)N1CC2(CCCCC2)CO/C1=N\c1cccc2ccccc12,CHEMBL475610,7.51
+CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12,CHEMBL515604,6.2
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccccc1,CHEMBL475611,6.29
+COc1ccccc1/N=C1\OCC2(CCCCC2)CN1C(=S)SC,CHEMBL469895,7.23
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2nonc12,CHEMBL469896,6.82
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1nc(C(C)(C)C)cs1,CHEMBL511790,9.0
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cc(C(C)(C)C)no1,CHEMBL481508,9.05
+CCC(CC)(CC)c1cc(/N=C2\OCC3(CCCCC3)CN2C(=S)SC)on1,CHEMBL519288,9.0
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cc(C(C)(C)C)on1,CHEMBL449624,7.77
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(F)c2ccccc12,CHEMBL482355,8.31
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(Cl)c2ccccc12,CHEMBL482356,8.47
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(C#N)c2ccccc12,CHEMBL482357,8.04
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL519635,7.85
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(N(C)C)c2ccccc12,CHEMBL481716,8.31
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2c1CCCC2,CHEMBL480578,7.85
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(Cl)c2c1CCCC2,CHEMBL480579,7.12
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(C#N)c2c1CCCC2,CHEMBL481888,7.0
+O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O,CHEMBL467896,8.02
+O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL467475,7.74
+O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O,CHEMBL508336,7.25
+CC1CCC(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL466651,6.7
+C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL466047,6.7
+C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL512063,6.52
+O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL466623,6.25
+O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL446993,6.25
+O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL511253,6.02
+CC1CCC(NC(=O)c2cc3cccnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL466223,6.0
+C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467681,5.82
+CC1CCC(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467476,5.8
+C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467680,5.28
+CCCCn1c(=O)c(C(=O)NC2CCCCC2)cc2cccnc21,CHEMBL513298,5.25
+O=C(NCCc1ccc(F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL466429,5.16
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCC(=O)N1,CHEMBL484393,5.59
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O,CHEMBL484392,5.77
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)CC,CHEMBL484215,5.07
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC,CHEMBL521157,5.22
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C,CHEMBL521467,5.08
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C,CHEMBL457232,5.24
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O,CHEMBL514886,5.72
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O,CHEMBL516323,5.51
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC(C)=O,CHEMBL458828,5.64
+Cc1ccc(-c2nc(CC(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474897,6.7
+Cc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474896,6.41
+Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475093,6.59
+Cc1ccc(-c2nnn(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL515102,6.89
+Cc1ccc(-c2nnn(CC3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475100,6.25
+Cc1ccc(-c2nnc(CC(C)(C)C)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL473697,6.85
+Cc1ccc(-c2nnc(CC3CCCCC3)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL503518,6.51
+Cc1ccc(-c2nnc(C(C)(C)C)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL473698,6.28
+Cc1ccc(-c2nc(CC(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474300,5.96
+Cc1ccc(-c2nc(C(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL500856,5.96
+Cc1ccc(-c2c[nH]c(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475719,6.11
+Cc1ccc(-c2noc(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL472679,6.57
+Cc1ccc(-c2noc(CC3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL472680,6.13
+Cc1ccc(-c2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL508362,6.29
+Cc1ccc(-c2cc(CC(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474080,6.12
+Cc1ccc(-c2cc(CC3CCCCC3)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL514324,5.85
+Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474506,5.16
+Cc1ccc(NC(=O)[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL515090,6.19
+Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL473063,6.27
+Cc1ccc(NC(=O)[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL516057,5.92
+Cc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL471671,5.92
+Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL474692,6.1
+Cc1ccc(NC(=O)C2CCCCC2C)cc1S(=O)(=O)N1CCOCC1,CHEMBL514490,5.74
+Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,CHEMBL511150,6.33
+Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL472856,5.47
+Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1,CHEMBL515866,5.92
+Cc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1,CHEMBL470231,5.72
+Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1,CHEMBL470233,6.57
+Cc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1,CHEMBL516368,5.96
+Cc1ccc(NC(=O)[C@@H]2C[C@@]3(C)CC[C@]2(C)O3)cc1S(=O)(=O)N1CCOCC1,CHEMBL525791,5.54
+Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL516388,6.89
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2CCCO2)c2ccccc21)C(N)=O,CHEMBL496497,5.88
+O=C(N[C@@H]1CCCc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL523708,5.76
+CC(C)(O)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL506652,5.84
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2(O)CCOCC2)c2ccccc21)C(N)=O,CHEMBL522906,5.52
+CC(C)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL527071,7.16
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCC2CCOCC2)c2ccccc21)C(N)=O,CHEMBL1162994,5.83
+Cn1nnc([C@@H](NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)C(C)(C)C)n1,CHEMBL522553,5.83
+CNC(=O)[C@@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(C)(C)C,CHEMBL494207,5.57
+O=C(NC1CCOc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL495407,5.68
+O=C(N[C@@H]1CCCc2ccccc21)N1Cc2ccccc2N(CCN2CCOCC2)C1=O,CHEMBL521668,5.82
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl,CHEMBL484504,7.61
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCc1cc(Cl)ccc1-2,CHEMBL518598,7.61
+Cc1cc(Cl)cc(C)c1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL478160,6.825
+Cc1cc(Cl)ccc1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1c(Cl)cc(Cl)cc1Cl,CHEMBL484506,6.71
+Cc1cc(Cl)ccc1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL484505,8.01
+Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl,CHEMBL519011,6.705
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)ccc1-2,CHEMBL389203,7.82
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C)cc3)cc1OC2(C)C,CHEMBL512511,8.5
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C(N)=O)cc3)cc1OC2(C)C,CHEMBL471367,7.86
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(C#N)c3)cc1OC2(C)C,CHEMBL471366,8.57
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C#N)cc3)cc1OC2(C)C,CHEMBL472115,8.03
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Br)c3)cc1OC2(C)C,CHEMBL487464,8.8
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(Br)cc3)cc1OC2(C)C,CHEMBL487463,8.3
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Cl)c3)cc1OC2(C)C,CHEMBL521366,8.55
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(Cl)cc3)cc1OC2(C)C,CHEMBL471988,7.73
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(F)c3)cc1OC2(C)C,CHEMBL512531,8.28
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(F)cc3)cc1OC2(C)C,CHEMBL471123,7.12
+CCCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL471122,8.75
+CCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL471297,8.73
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cc(C)cc(C)c3)cc1OC2(C)C,CHEMBL471296,7.96
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccccc3C)cc1OC2(C)C,CHEMBL512343,7.46
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(C)c3)cc1OC2(C)C,CHEMBL471295,8.6
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)N4CCCCC4)ccc3n2CC2CC2)cc1,CHEMBL458142,5.46
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)c4cccs4)ccc3n2CC2CC2)cc1,CHEMBL518206,5.61
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc3n2CC2CC2)cc1,CHEMBL510854,5.34
+CCCN(CCC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1,CHEMBL507572,5.58
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(Oc3ccccc3)cc1)n2CCC(C)C,CHEMBL510072,5.62
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC3CC3)cc1)n2CCC(C)C,CHEMBL511021,5.38
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(C)C)cc1)n2CCC(C)C,CHEMBL453846,5.33
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@H]2CCCCN2C)cc1,CHEMBL488310,5.37
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCOCC2)cc1,CHEMBL471374,5.92
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccccc2)cc1,CHEMBL471992,5.32
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL511134,6.39
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCCC2)cc1,CHEMBL470965,6.96
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCC2)cc1,CHEMBL471129,6.31
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCC2)cc1,CHEMBL472506,5.51
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1,CHEMBL496293,9.04
+CC(C)C(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL497557,9.62
+CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL524804,9.1
+CC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL497556,8.71
+O=S1(=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL496091,9.08
+CCNC1(C(N)=O)CN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)C1,CHEMBL498783,8.92
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)CC1,CHEMBL496508,9.06
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccnc(Cl)c3)n2)CC1,CHEMBL496507,9.17
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1,CHEMBL522395,8.01
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)n2)CC1,CHEMBL496506,7.49
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1,CHEMBL495892,8.55
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1,CHEMBL495891,7.83
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1,CHEMBL522720,8.78
+CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1,CHEMBL496919,8.76
+Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1,CHEMBL522235,8.8
+CN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL496555,8.675
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12,CHEMBL429797,6.4
+CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL497811,5.98
+CCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL498346,5.5
+CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL524822,5.86
+CCCCCCC(C)(C)c1cc(OC)c([C@@]2(O)CCC[C@@H](C)C2)c(OC)c1,CHEMBL524058,5.3
+CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21,CHEMBL498767,6.42
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc2n[nH]cc2c1,CHEMBL472897,6.52
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(OC)c1,CHEMBL472898,5.85
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1,CHEMBL434069,6.7
+CC(C)(c1ccccc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL525067,7.03
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489622,5.52
+CCCCCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489623,5.505
+CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489834,5.61
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1,CHEMBL491862,7.275
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL491658,6.505
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1,CHEMBL490035,6.095
+CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL490245,6.575
+CCCCCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL490246,5.675
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL521944,6.68
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1,CHEMBL490648,8.275
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL489251,7.69
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL489252,6.785
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL491065,5.62
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC2CC2)c1,CHEMBL484887,7.0
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL484888,6.0
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL483670,5.285
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1,CHEMBL488933,5.47
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)c1,CHEMBL519043,5.55
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCCO,CHEMBL489835,5.0
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NC1CC1,CHEMBL490046,5.0
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCC1CC1,CHEMBL522123,5.0
+N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCF)cc1,CHEMBL515022,7.99
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL514215,7.96
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL514361,8.33
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(F)cc2Cl)cc1,CHEMBL476232,7.89
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(F)cc2Br)cc1,CHEMBL477004,7.49
+N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL514845,7.48
+N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL475977,7.85
+N#Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL476403,6.88
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL476404,8.7
+N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL477642,7.62
+CC(=O)Nc1cccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)c1,CHEMBL513417,7.86
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C=C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL191324,7.31
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL372866,7.1
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL480107,7.53
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL371167,7.46
+COc1cccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)C2c2ccc(N3CCOCC3)cc2)c1,CHEMBL554943,6.64
+O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,CHEMBL560462,6.59
+COc1ccccc1NC(=O)C(C)Sc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2,CHEMBL560463,6.58
+CCOC(=O)CN1C(c2ccc(F)cc2)Nc2ccc(Br)cc2C1c1ccccc1,CHEMBL555341,6.56
+CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)nn2-c2ccc(C)cc2C)CC1,CHEMBL557921,6.54
+COc1ccc(C2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)cc1,CHEMBL565190,6.51
+Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(=O)NC2CCS(=O)(=O)C2)CCCC3)c(C)c1,CHEMBL560383,6.49
+Cc1ccc(C2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1,CHEMBL550309,6.28
+CC(C(=O)N1c2ccccc2C(C)(c2ccc(Cl)cc2)CC1(C)C)N1C(=O)C2CCCCC2C1=O,CHEMBL563400,6.28
+CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC(c3ccccc3)c3ccccc3)c2)C1,CHEMBL559035,6.21
+CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1,CHEMBL562123,6.06
+CC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(F)cc1)C(=O)CC(C)(C)C,CHEMBL550514,5.99
+O=C(c1ccc(-n2cnnn2)cc1)N(c1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1,CHEMBL563830,5.98
+CCOC(=O)N1CC=C2C(C1)C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)C(=N)C2(C#N)C#N,CHEMBL561663,5.96
+CC1CN(c2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC(C)O1,CHEMBL551122,5.93
+Cc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1,CHEMBL562519,5.83
+COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1,CHEMBL555873,5.79
+Cc1ccc(Cc2nsc(N3CCCN(C(=O)Nc4c(C(C)C)cccc4C(C)C)CC3)n2)cc1,CHEMBL564177,5.75
+COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)n(-c3cccc(C)c3)n2)c(OC)c1,CHEMBL556422,5.71
+CC(C)NC(=O)C(C)Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CHEMBL549366,5.64
+Cc1ccc(C(=O)n2cc(/C=N/N=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)c3ccccc32)cc1,CHEMBL564929,5.64
+COc1ccccc1N1CCN(C(=O)C(C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,CHEMBL552122,5.64
+COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C2CCCCC2)cc1,CHEMBL551462,5.62
+COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCCC2)C(C)C)cc1,CHEMBL564343,5.59
+Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1,CHEMBL562654,5.57
+Cc1cccc(C)c1N(C(=O)c1ccccc1Cl)C(=O)C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1,CHEMBL557442,5.56
+CCCNC(=O)N1CCN(c2nc(Cc3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1,CHEMBL559476,5.4
+CC(C)(C)c1ccc(C(=O)N2C(C(=O)NCc3ccccn3)CSC2c2cccc(F)c2)cc1,CHEMBL555869,5.13
+CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1,CHEMBL549501,6.0
+O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL555563,6.25
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL572860,7.25
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL576142,6.08
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL574036,7.39
+COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3c(C)ccc3C)c2C)cc1Cl,CHEMBL576977,7.0
+Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL574971,7.27
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL574046,7.3
+COc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3c(C)ccc3C)c2C)c(Br)c(OC)c1OC,CHEMBL574970,6.78
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL574499,7.25
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL573099,6.25
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL572620,6.25
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL573087,5.62
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL585177,6.42
+COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3cccc3)c2C)cc1Cl,CHEMBL575164,6.02
+Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL575163,6.51
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL575401,7.1
+COc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3cccc3)c2C)c(Br)c(OC)c1OC,CHEMBL573098,6.46
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL574053,6.47
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL575396,5.68
+Cc1c(C(=O)NC(C)c2ccccc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL574270,7.1
+Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL575382,8.25
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL579249,7.92
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL575395,7.44
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL574045,6.41
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL577361,7.0
+Cc1c(C(=O)N[C@@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL573546,8.47
+Cc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL574480,7.85
+Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL578848,7.51
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL576549,8.25
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL577165,7.3
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL575186,6.62
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL575193,7.15
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL574740,5.89
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL574052,7.25
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL573805,6.82
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL577791,6.81
+COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3c(C)ccc3C)c2C)cc1Cl,CHEMBL573796,6.95
+Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL574032,6.93
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL575184,7.52
+COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3c(C)ccc3C)c2C)c(Br)c(OC)c1OC,CHEMBL574965,6.84
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL572854,7.05
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL576140,7.02
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL572887,7.7
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL579247,7.08
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL575178,6.66
+COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3cccc3)c2C)cc1Cl,CHEMBL578003,6.43
+Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL574031,6.8
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL576366,7.15
+COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3cccc3)c2C)c(Br)c(OC)c1OC,CHEMBL574959,6.64
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL574722,6.85
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL572613,6.92
+CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL577384,7.37
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL575680,7.13
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL574172,7.33
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL578421,7.91
+CN(C)CCCN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL567228,8.51
+CN(C)CCN1CCN(/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1,CHEMBL570623,8.02
+CCc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL583855,7.85
+CN1CCC(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1,CHEMBL566388,7.72
+O=S(=O)(/N=C(\NCCCCN1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1,CHEMBL576673,7.57
+CC(C)(O)CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL569547,7.37
+O=S(=O)(/N=C(\NCCCCNc1c2c(nc3ccccc13)CCCC2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1,CHEMBL571730,7.38
+O=S(=O)(/N=C(\NCCCCCCCNc1c2c(nc3ccccc13)CCCC2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1,CHEMBL570158,7.27
+O=S1(=O)CCN(/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1,CHEMBL585736,7.51
+CCc1c(C(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL570159,7.32
+CCc1c(C(=O)NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL567532,7.06
+CCC(=O)N(CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C)C1CCN(CCc2ccccc2)CC1,CHEMBL570516,6.15
+CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C,CHEMBL584742,6.455
+CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C,CHEMBL570454,6.55
+CC1(C)C(C(=O)c2cn(C[C@H]3CCCO3)c3ccccc23)C1(C)C,CHEMBL583680,6.14
+CC1(C)C(C(=O)c2cn(C[C@@H]3CCCO3)c3ccccc23)C1(C)C,CHEMBL571777,6.662999999999999
+CC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C,CHEMBL569994,6.2
+CC1(C)C(C(=O)c2cn(CCC3CCOCC3)c3ccccc23)C1(C)C,CHEMBL572192,7.04
+CN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571330,8.26
+CN1CCN(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)CC1,CHEMBL570909,5.67
+CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C,CHEMBL571559,6.1
+CC1(C)C(C(=O)c2cn(CCN3CCCCC3)c3ccccc23)C1(C)C,CHEMBL570876,6.25
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2,CHEMBL569992,6.27
+O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2,CHEMBL3085420,7.21
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC1C3)C2,CHEMBL571999,7.14
+CC1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC1(Cl)Cl,CHEMBL570660,5.47
+CC1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC(F)(F)C1(F)F,CHEMBL584528,5.84
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C1CCCC1,CHEMBL570907,6.88
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2,CHEMBL3085421,5.51
+CC[C@H]1CC[C@H](C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1,CHEMBL584738,6.21
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCCC1,CHEMBL570659,6.44
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCC1,CHEMBL570874,5.79
+CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL579241,5.37
+CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571550,7.04
+CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C,CHEMBL569082,7.825
+CCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571773,6.83
+CC1(C)C(C(=O)c2cn(CCCO)c3ccccc23)C1(C)C,CHEMBL569299,5.665
+CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)C,CHEMBL571131,6.17
+COCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL572000,6.18
+COCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL570690,6.15
+CSCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL569301,7.41
+COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL570877,5.74
+CC(=O)CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL584105,6.42
+CC1(C)C(C(=O)c2cn(Cc3cccnc3)c3ccccc23)C1(C)C,CHEMBL578178,5.69
+CC1(C)C(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1(C)C,CHEMBL571774,6.675
+CC1(C)C(C(=O)c2cn(Cc3ccncc3)c3ccccc23)C1(C)C,CHEMBL570908,7.32
+CC1(C)C(C(=O)c2cn(CCc3ccccn3)c3ccccc23)C1(C)C,CHEMBL582810,5.72
+CC1(C)C(C(=O)c2cn(CCn3cccc3)c3ccccc23)C1(C)C,CHEMBL570198,6.51
+CC1(C)C(C(=O)c2cn(CCc3ccncc3)c3ccccc23)C1(C)C,CHEMBL569524,5.655
+CC1(C)C(C(=O)c2cn(CCc3cccs3)c3ccccc23)C1(C)C,CHEMBL569300,6.155
+CC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C,CHEMBL571342,6.83
+Cc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571095,5.7
+CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C,CHEMBL568796,5.375
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1,CHEMBL566248,5.42
+CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1,CHEMBL570792,5.37
+CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCC1,CHEMBL567731,5.96
+Cc1cnc(NC(=O)C2(C)CCCCC2C)cc1CN1CCOCC1,CHEMBL568564,5.6
+CCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1,CHEMBL566057,5.74
+Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL584261,8.12
+Cc1c(-c2ncn(C(C)C)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL577040,8.05
+Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL584889,10.0
+Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL578576,8.05
+Cc1c(-c2cn(C3CCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL579196,8.3
+Cc1c(-c2cn(C3CCCCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL585095,8.33
+Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL578969,10.0
+Cc1c(-c2cn(C3CC3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL583229,8.1
+Cc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL568221,8.42
+Cc1c(-c2nc(C(C)C)c[nH]2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL568230,8.28
+Cc1c(-c2c[nH]c(C(C)C)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL565742,8.02
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL565969,6.89
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CN1CCOCC1,CHEMBL579193,5.96
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCN1CCOCC1,CHEMBL567593,5.85
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCCN1CCOCC1,CHEMBL583654,5.68
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1N1CCOCC1,CHEMBL568682,5.05
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1,CHEMBL568683,5.77
+Cc1ccc(C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1CC(=O)N1CCOCC1,CHEMBL576227,5.41
+Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1,CHEMBL576855,5.2
+Cc1ccc(NC(=O)C2CCCCC2C)cc1CN1CCOCC1,CHEMBL577686,5.8
+Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C,CHEMBL568467,6.3
+Cc1cc(NC(=O)C2CCCCC2C)cc(CN2CCOCC2)c1C,CHEMBL568468,6.27
+Cc1c(CN2CCOCC2)cc(NC(=O)C2CCCCC2C)cc1C(F)(F)F,CHEMBL579194,6.96
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(NS(=O)(=O)C(F)(F)F)C1,CHEMBL595451,5.0
+O=S(=O)(N[C@H]1CC[C@@H](NS(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL595452,5.16
+O=S(=O)(N[C@H]1CC[C@H](NS(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL594513,5.79
+O=S(=O)(NCCCCNS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL594535,6.05
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1,CHEMBL594536,5.6
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL596579,5.6
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](NS(=O)(=O)C(F)(F)F)[C@H]2C1,CHEMBL604704,5.66
+C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC[C@@H]1CNS(=O)(=O)C(F)(F)F,CHEMBL595460,5.6
+C[C@H]1CC(CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL593434,6.25
+CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL596387,5.39
+Cc1cc(NC(=O)C2C(C)(C)C2(C)C)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593166,5.96
+Cc1cc(NC(=O)C(C)(C)C)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL594553,5.51
+Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593625,6.11
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL596401,5.6
+CCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL595035,6.08
+CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL595268,6.85
+CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCC2,CHEMBL603736,5.77
+CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCCC2,CHEMBL599878,5.85
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1,CHEMBL592264,5.47
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NCC2CC2)c1,CHEMBL571323,5.42
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1,CHEMBL602591,5.74
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1,CHEMBL602128,5.68
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL602105,6.19
+CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12,CHEMBL178372,5.52
+Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1,CHEMBL599070,5.4
+Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1,CHEMBL599071,5.31
+Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1,CHEMBL604307,5.52
+Cc1nc(C(=O)NC2C3CC4CC(C3)C2C4)c(C)n1-c1ccccc1,CHEMBL598252,5.26
+Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1,CHEMBL598463,5.85
+CCCCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc(C)n1-c1ccccc1,CHEMBL597438,5.7
+CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1,CHEMBL599882,5.38
+CCCCCc1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL590737,6.21
+CCCCCc1cc(C#N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL597907,5.76
+CCCCCc1cc2c(c(SC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL602702,6.02
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600602,9.62
+CCCCCCC(C)(C)c1cc(C#N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600801,7.17
+CCCCCCC(C)(C)c1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL604746,7.93
+CCCCCCC(C)(C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600195,5.87
+CCCCCCC(C)(C)c1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600396,6.48
+CCCCCCC(C)(C)c1cc(NS(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL601865,5.74
+CC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL598125,8.04
+O=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1,CHEMBL589093,7.8
+O=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL607977,7.46
+CC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL600064,8.2
+O=C(NC1CCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL609266,7.48
+O=C(NCc1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL590346,7.2
+O=C(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL592703,7.74
+CC(C)CNC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL590481,7.48
+CC(C)(C)CCN1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL589579,7.24
+CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL590795,7.89
+CC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL590551,6.35
+O=S(=O)(C1CC1)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL591509,7.36
+CS(=O)(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL591508,6.16
+Clc1ccc(N2C[C@H](CN3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1,CHEMBL591507,6.26
+CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1,CHEMBL601936,8.1
+N#Cc1ccc(C(=O)NCC[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1,CHEMBL591067,8.29
+CC(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL591066,7.38
+O=S(=O)(NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1,CHEMBL603529,8.24
+N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1,CHEMBL591994,8.38
+O=S(=O)(NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1,CHEMBL591352,8.42
+NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL602241,7.21
+N#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1,CHEMBL591542,8.3
+O=C(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1,CHEMBL600885,6.95
+O=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccc2ccccc12,CHEMBL591541,8.64
+O=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1,CHEMBL591540,8.22
+O=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1,CHEMBL589169,6.8
+CCCS(=O)(=O)NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL591056,7.32
+NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL590569,6.88
+Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2)cc1F,CHEMBL600242,6.33
+Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F,CHEMBL592628,7.82
+O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1,CHEMBL589842,6.96
+Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F,CHEMBL592472,7.14
+O=C1[C@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,CHEMBL592471,6.15
+O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,CHEMBL592470,6.35
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12,CHEMBL381314,6.71
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12,CHEMBL204433,6.49
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12,CHEMBL592683,6.13
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12,CHEMBL600254,5.54
+O=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1088730,6.79
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1086903,7.28
+CCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1087032,6.62
+S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1088729,6.97
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1088728,8.8
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1087875,7.22
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2cc(Cl)ccc2Cl)CC1,CHEMBL1087874,8.23
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2c(Cl)cccc2Cl)CC1,CHEMBL1087250,8.66
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Br)cc2F)CC1,CHEMBL1087251,8.74
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(F)cc2Cl)CC1,CHEMBL1086605,8.09
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2F)CC1,CHEMBL1088161,8.51
+O=C(C1CCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1076884,6.54
+O=C(C1CCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1087521,6.14
+O=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1087644,8.24
+O=C(N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL1095690,8.23
+O=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089716,7.25
+O=C(N1CCOCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089717,6.95
+CCCCNC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089718,6.99
+O=C(NN1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093078,8.92
+S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093377,9.7
+O=C(NC1CCCCC1)N1CCN(C(c2cccc(Cl)c2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093378,8.64
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL529436,9.64
+Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1093735,9.82
+Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NN3CCCCC3)CC2)cc1,CHEMBL1091812,8.52
+COc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1091813,8.59
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1091814,8.96
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1084429,8.92
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1084695,8.6
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1081213,7.84
+CN/C(=N\S(=O)(=O)N1CCC(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1076636,8.12
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,CHEMBL1076584,6.55
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1,CHEMBL1082018,8.04
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,CHEMBL1080157,7.24
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1,CHEMBL1080156,8.7
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081993,7.41
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081992,8.12
+CN/C(=N\S(=O)(=O)N1CCC(F)CC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081832,7.26
+CN/C(=N\S(=O)(=O)N1CCCCC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081650,6.85
+CN/C(=N\S(=O)(=O)c1ccc(C(F)(F)F)cc1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081306,7.95
+CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081305,7.43
+CN/C(=N\S(=O)(=O)c1cccc(Cl)c1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081304,7.28
+CN/C(=N\S(=O)(=O)c1ccc(F)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1079628,7.66
+CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081286,7.08
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1080545,8.33
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1080908,6.85
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1080916,7.38
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1080917,6.33
+COc1cc(C(=O)c2cccs2)cc(O)c1-c1cc(Cl)cc(Cl)c1,CHEMBL1081624,6.3
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1,CHEMBL1079079,8.47
+CSc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088244,8.52
+CSc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088221,7.91
+CSc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088245,7.89
+CSc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088506,8.05
+CS(=O)(=O)c1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088222,7.92
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1I,CHEMBL1088220,8.0
+CSc1c(C(=O)NN2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088507,7.92
+CSc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088376,7.57
+CCSc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088349,7.29
+CS(=O)c1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1098696,7.7
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CO,CHEMBL1087721,7.47
+CCN1CCN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CC1,CHEMBL1209573,7.9
+C[C@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CCN1C,CHEMBL1209710,8.7
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(I)ccc21,CHEMBL1215944,5.68
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(S(=O)c3ccccc3)ccc21,CHEMBL1215953,6.34
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3cc(C)c(OC)c(C)c3)ccc21,CHEMBL1215898,6.29
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc4cc(OC)ccc4c3)ccc21,CHEMBL1215899,6.44
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3cnn(CC(C)C)c3)ccc21,CHEMBL1215892,6.61
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-n3cccc3)ccc21,CHEMBL1215955,7.53
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc21,CHEMBL1215976,6.05
+C#CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL1215978,5.49
+CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc21,CHEMBL1215991,8.55
+CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(Br)ccc21,CHEMBL1215992,5.72
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(Br)ccc21,CHEMBL1215993,5.77
+CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1216001,6.32
+CCCCCC1=NN(C(=O)Nc2cccc3ccccc23)CC1c1ccccc1,CHEMBL1224690,8.13
+CCCCCC1=NN(C(=O)NCc2ccccc2)CC1c1ccccc1,CHEMBL1224689,7.29
+CCCCCC1=NN(C(=O)NCC2CCCCC2)CC1c1ccccc1,CHEMBL1224688,7.82
+CCCCCC1=NN(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1c1ccccc1,CHEMBL1224687,7.79
+CCCCCC1=NN(C(=O)NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)CC1c1ccccc1,CHEMBL1224631,7.81
+CCCCCC1=NN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1,CHEMBL1224630,8.19
+CCCCCC1=NN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1c1ccccc1,CHEMBL1224629,7.17
+CCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccccc1,CHEMBL1224691,8.49
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccccc1,CHEMBL1223589,7.85
+CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1,CHEMBL1223590,7.35
+CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1F,CHEMBL1223591,7.49
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccsc1,CHEMBL1223592,7.71
+CCCCCC1=NN(C(=O)NC2CCCCC2)CC1c1ccccc1,CHEMBL1223646,7.28
+CCCCCC1=NN(C(=O)NC2CCCCCC2)CC1c1ccccc1,CHEMBL1223647,7.82
+CCCCCC1=NN(C(=O)NC2CCCCCCC2)CC1c1ccccc1,CHEMBL1223648,7.92
+CCCCCC1=NN(C(=O)NC2CCCc3ccccc32)CC1c1ccccc1,CHEMBL1223649,7.48
+CCCCCC1=NN(C(=O)Nc2ccccc2C(F)(F)F)CC1c1ccccc1,CHEMBL1223650,7.15
+CCCCCC1=NN(C(=O)c2cccc3ccccc23)CC1c1ccccc1,CHEMBL1223715,6.79
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1,CHEMBL1223716,8.05
+CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1,CHEMBL1223775,7.79
+CCCCCN1N=C(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1,CHEMBL1223776,8.04
+CCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1,CHEMBL1223777,6.93
+CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1c1ccccc1,CHEMBL1223778,8.33
+CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1c1ccccc1F,CHEMBL1223835,8.21
+Cc1c(C(=O)NCCCCCCCCCCCN(C)CCCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269776,8.045
+Cc1c(C(=O)NCCCCCCCCCN(C)CCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269775,8.105
+Cc1c(C(=O)NCCCCCCCN(C)CCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270662,7.62
+Cc1c(C(=O)NCCCCCN(C)CCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270563,6.92
+Cc1c(C(=O)NCCCCCCCCCCCN(C)CCCCCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269772,5.805
+Cc1c(C(=O)NCCCCCCCCCN(C)CCCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269771,6.82
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+Cc1c(C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269774,8.49
+Cc1c(C(=O)NCCCCCCCCCNCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269773,8.055
+Cc1c(C(=O)NCCCCCCCNCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270463,7.52
+Cc1c(C(=O)NCCCCCNCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270369,6.55
+Cc1c(C(=O)NCCNCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270270,6.105
+Cc1c(C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269768,7.215
+Cc1c(C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269767,7.255
+Cc1c(C(=O)NCCCCCCCNCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269766,8.135
+Cc1c(C(=O)NCCCCCNCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269765,7.345
+Cc1c(C(=O)NCCNCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269764,6.835
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL1277685,8.92
+COc1cccc2c(C(=O)N3CCN4CCCC[C@H]4C3)cn(CC3CCCCC3)c12,CHEMBL1287846,8.6
+O=C(c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1,CHEMBL1287847,8.8
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631160,6.26
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631161,6.56
+CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631162,7.09
+Cc1c(C(=O)NCCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631163,6.27
+CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631164,6.91
+CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631165,6.68
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631166,6.54
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631167,6.91
+CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631168,6.74
+Cc1c(C(=O)NCCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631169,6.43
+CCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)c(-n2c(C)ccc2C)c1C,CHEMBL1631290,6.51
+CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631291,7.01
+CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)c(-n2c(C)ccc2C)c1C,CHEMBL1631292,6.43
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631293,6.28
+Cc1c(C(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631294,7.05
+CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1629731,7.32
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631289,7.34
+CCCCCCC(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631295,6.8
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631296,6.63
+Cc1c(C(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631297,6.82
+CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631298,6.71
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631299,7.43
+CCCCCCC(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631300,6.98
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL1631301,7.04
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641940,6.43
+CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641942,6.2
+CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641943,6.34
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641945,6.23
+CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641946,6.22
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1,CHEMBL1641947,6.03
+CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)cc1-c1ccccc1,CHEMBL1641948,6.88
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1,CHEMBL1641955,7.29
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl,CHEMBL1641956,7.46
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1,CHEMBL1641957,6.87
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1,CHEMBL1641958,6.42
+FC(F)(F)c1cccc(-c2c[nH]c(-c3cccc(CN4CCOCC4)c3)n2)c1,CHEMBL1644675,6.0
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C,CHEMBL1668396,7.55
+CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21,CHEMBL564901,8.89
+CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)(C)CCCCC#N)cc1OC2(C)C,CHEMBL1668516,8.24
+CCCCCCC1CCCc2c1cc1c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O1,CHEMBL303479,7.65
+N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F,CHEMBL1354658,7.32
+Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216276,6.44
+CCCCCn1cc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1668517,6.32
+COCCn1c(C)c(C)s/c1=N\C(=O)C1C(C)(C)C1(C)C,CHEMBL1668519,6.57
+Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1C1CC1,CHEMBL1668520,5.77
+Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1,CHEMBL385508,6.0
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21,CHEMBL1668521,7.02
+CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccc(C)cc23)c2ccccc21,CHEMBL1668395,7.38
+COc1ccc(OC)c2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1668509,5.68
+CCC1CCC(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1,CHEMBL1668511,6.21
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL1668512,6.89
+CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1,CHEMBL1668513,5.74
+CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL1668514,6.19
+Cc1nc(C(=O)NC23CC4CC(CC2C4)C3)c(C)n1-c1ccccc1,CHEMBL1668515,5.26
+Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1,CHEMBL1668504,5.85
+Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(Br)cc2)n1CC1CC1,CHEMBL1668505,7.28
+Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(OC(F)(F)F)cc2)n1CC1CC1,CHEMBL1668506,5.96
+COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1,CHEMBL1668507,5.39
+COc1cccc2c(C(=O)N3C[C@H](C)N(C)[C@H](C)C3)cn(CC3CCCCC3)c12,CHEMBL1209708,8.9
+CN(CC(N)=O)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1,CHEMBL1682272,8.4
+Cc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCCC(C)(C)O)cc2cc(C#N)ccc21,CHEMBL1760664,8.36
+CC(C)(O)CCNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1,CHEMBL1760663,8.3
+COc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)O)cc2cc(C#N)ccc21,CHEMBL1760662,8.12
+COc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)O)cc2cc(C#N)ccc21,CHEMBL1760661,8.26
+COc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21,CHEMBL1760646,9.4
+CC(C)(CO)CNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1,CHEMBL1760645,9.1
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765684,7.8
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccc(F)cc1,CHEMBL1765820,7.26
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765683,7.21
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1,CHEMBL1765682,6.94
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccc(Br)cc2)c1-c1ccccc1,CHEMBL1765679,6.59
+N#CC1(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3Br)n2)CCOCC1,CHEMBL1765672,6.53
+COc1ccc(-c2c(Br)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765819,6.45
+N#Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccccc1,CHEMBL1765677,6.36
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2-c2ccccc2)c1-c1ccccc1,CHEMBL1765681,6.3
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765685,6.17
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4ncc5ccccc54)cc3F)CC2)on1,CHEMBL1801163,7.96
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(C)c5ccccc54)cc3F)CC2)on1,CHEMBL1801072,8.89
+CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(NC(=O)c4cc(OC)no4)CC3)c(F)c2)c2ccccc12,CHEMBL1801073,7.72
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(C5CC5)c5ccccc54)cc3F)CC2)on1,CHEMBL1801074,7.48
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(-c5ccccc5)c5ccccc54)cc3F)CC2)on1,CHEMBL1801075,7.09
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Br)c5ccccc54)cc3F)CC2)on1,CHEMBL1801076,9.09
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4[nH]c(=O)c5ccccc54)cc3F)CC2)on1,CHEMBL1801077,6.47
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(OC)c5ccccc54)cc3F)CC2)on1,CHEMBL1801078,7.68
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(C#N)c5ccccc54)cc3F)CC2)on1,CHEMBL1801079,8.62
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3F)CC2)on1,CHEMBL1801080,6.66
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4ccc(-c5ccccc5)n4)cc3F)CC2)on1,CHEMBL1801081,6.21
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4cc(-c5ccccc5)cn4)cc3F)CC2)on1,CHEMBL1801082,6.29
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4ncc5c4CCCC5)cc3F)CC2)on1,CHEMBL1801083,7.57
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(C)c5c4CCCC5)cc3F)CC2)on1,CHEMBL1801084,8.0
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)on1,CHEMBL1801085,9.17
+C[C@@H](NC(=O)C1(NC(=O)c2cncs2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801086,9.27
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)s1,CHEMBL1801087,9.54
+Cc1ncsc1C(=O)NC1(C(=O)N[C@H](C)c2ccc(-n3nc(Cl)c4ccccc43)cc2F)CC1,CHEMBL1801339,8.09
+Cc1nnsc1C(=O)NC1(C(=O)N[C@H](C)c2ccc(-n3nc(Cl)c4ccccc43)cc2F)CC1,CHEMBL1801340,9.15
+C[C@@H](NC(=O)C1(NC(=O)c2cn[nH]c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801341,9.42
+C[C@@H](NC(=O)C1(NC(=O)c2cccnc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801342,8.82
+Cc1ccc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)cn1,CHEMBL1801343,8.85
+C[C@@H](NC(=O)C1(NC(=O)c2ccc(Br)nc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801344,9.31
+Cc1cncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)c1,CHEMBL1801345,9.33
+C[C@@H](NC(=O)C1(NC(=O)c2cncc(O)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801346,9.52
+COc1cncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)c1,CHEMBL1801347,9.28
+C[C@@H](NC(=O)C1(NC(=O)c2cncc(F)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801348,9.43
+C[C@@H](NC(=O)C1(NC(=O)c2cncc(Cl)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801349,9.7
+C[C@@H](NC(=O)C1(NC(=O)c2cncc(Br)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801350,9.92
+C[C@@H](NC(=O)C1(NC(=O)c2ccnnc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801351,9.19
+C[C@@H](NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801352,9.74
+C[C@@H](NC(=O)C1(NC(=O)c2cnccn2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801353,7.78
+C[C@@H](NC(=O)C1(NC(=O)c2cncc(Cl)n2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801354,8.92
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL413775,8.82
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F,CHEMBL1801355,7.96
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO,CHEMBL146346,7.65
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL1800182,5.7
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL1800727,5.7
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC(CO)CO,CHEMBL122972,6.325
+C#CCCCC(=O)OC[C@@H](C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL1800728,5.7
+C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OC[C@@H](C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL1800729,5.7
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL1800731,6.66
+C#CCCCC(=O)OCC(CO)OCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL1800732,7.07
+Cc1c(CCN2CCOCC2)c2cc(OCCF)ccc2n1C(=O)c1cccc(Cl)c1Cl,CHEMBL1807841,5.0
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc([N+](=O)[O-])c21,CHEMBL1814459,6.7
+CCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL1814463,6.08
+CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2cc(-c3ccco3)ccc21,CHEMBL1814467,6.57
+CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21,CHEMBL1814468,7.5
+CCCCCOc1cccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1814470,6.59
+CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1,CHEMBL1822926,5.3
+CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,CHEMBL497318,6.12
+CCCCCc1cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1,CHEMBL1823117,6.12
+CCCCCn1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21,CHEMBL1828799,7.5
+CCCCCn1cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc21,CHEMBL1828800,8.1
+CCCCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21,CHEMBL1828801,8.2
+COCCn1cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc21,CHEMBL1828803,6.6
+COCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21,CHEMBL1828804,6.6
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21,CHEMBL2218896,8.4
+CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21,CHEMBL1828805,8.9
+CCCCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21,CHEMBL1828806,7.2
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL1828809,7.9
+COCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL1828810,6.3
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21,CHEMBL1828632,6.8
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cnccc21,CHEMBL1828812,6.5
+N#C/C(=C\c1cn(CCN2CCOCC2)c2ccccc12)S(=O)(=O)c1ccccc1,CHEMBL1836189,7.21
+Cc1c(C(=O)Nc2ccc(C)[n+](C)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834008,5.935
+Cc1c(C(=O)NCCCCCCCNS(C)(=O)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834013,7.01
+Cc1c(C(=O)NCCCCCCCNS(N)(=O)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834014,7.505
+O=S(=O)(CCCC(F)(F)F)Oc1cccc(Oc2cccc3c2C[C@H](CO)C3)c1,CHEMBL1668508,9.34
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,4.54
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.62
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,CHEMBL1428,5.86
+c1ccc2c(c1)Nc1ccccc1S2,CHEMBL828,4.71
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,CHEMBL1201151,4.65
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,4.78
+O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)cnn12,CHEMBL1911374,7.92
+Cc1ccc([C@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1910034,8.96
+Cc1ccc([C@@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1910035,9.7
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl,CHEMBL1909843,7.6
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl,CHEMBL1909844,8.11
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(Cl)ccc1Cl,CHEMBL1909845,7.18
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(Cl)ccc1Cl,CHEMBL1909846,8.03
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cc2c(c1)CCCC2,CHEMBL1909847,7.34
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cc2c(c1)CCCC2,CHEMBL1909848,8.64
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1909849,7.31
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1909850,8.52
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1909851,7.27
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1909852,8.17
+CCc1ccc(CC)n1-c1c(C)c(C(=O)NC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL1909854,6.87
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl,CHEMBL1909855,7.13
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl,CHEMBL1909856,8.07
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(Cl)ccc1Cl,CHEMBL1909857,7.25
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(Cl)ccc1Cl,CHEMBL1909858,8.25
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL1909859,6.34
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL1909860,7.82
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL1909861,6.02
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL1909957,7.32
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923756,5.25
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923757,5.25
+CCCCCCc1ccc(O)cc1OCCCCCCCC(=O)OC(CO)CO,CHEMBL1923760,6.1
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)OC(CO)CO,CHEMBL1923761,7.22
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923762,5.95
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923763,8.0
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923764,5.57
+CCCCCc1cc(O)cc(OCCCCCCOC(CO)CO)c1,CHEMBL1923765,6.37
+CCCCCc1cc(O)cc(OCCCCCCCCOC(CO)CO)c1,CHEMBL1923766,5.73
+CCCCCc1cc(O)cc(OCCCCCCCCCCCCOC(CO)CO)c1,CHEMBL1923768,5.42
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCOC(CO)CO)c1,CHEMBL1923771,6.77
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1,CHEMBL1923772,6.57
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCOC(CO)CO)c1,CHEMBL1923773,5.53
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCCOC(CO)CO)c1,CHEMBL1923774,5.98
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O,CHEMBL1928336,5.11
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CHEMBL1928337,5.54
+CCCCCCCCCCCCC/C=C/CCC(=O)N(C)[C@H](CO)COC,CHEMBL1928586,5.89
+CCOc1ccc(Cc2nc3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1,CHEMBL1950329,8.52
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)CC2,CHEMBL1950330,6.84
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2,CHEMBL1950333,8.05
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCCC1)CC2,CHEMBL1950335,7.25
+CCCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2,CHEMBL1950340,7.82
+CCCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950341,7.24
+CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)CC4)CC1,CHEMBL1950342,6.58
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCN(C3CCCC3)C2)CC1,CHEMBL1950343,7.49
+CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2,CHEMBL1950344,7.47
+CCCC(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950345,6.99
+CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950346,6.94
+CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2,CHEMBL1950347,7.66
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(C)(=O)=O)CCN(C3CCCC3)C2)CC1,CHEMBL1950348,7.44
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(C)(=O)=O)CCN(C3CCOCC3)C2)CC1,CHEMBL1950349,6.62
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2,CHEMBL1950350,7.77
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950351,6.92
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)C(C)C)CCN(C3CCOCC3)C2)CC1,CHEMBL1950352,6.77
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccccc3)CCN(C3CCOCC3)C2)CC1,CHEMBL1950353,7.51
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(C3CCCC3)C2)CC1,CHEMBL1950354,7.66
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(C3CCOCC3)C2)CC1,CHEMBL1950355,6.96
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C(=O)N(C)C)CCN(C3CCOCC3)C2)CC1,CHEMBL1950356,5.62
+CCOc1ccc(Cn2c3c(c4cc(C(=O)N5CCC(C)CC5)ccc42)CN(C2CCOCC2)CC3)cc1,CHEMBL1950357,7.29
+CCNS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950485,6.37
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C3CCOCC3)C2)CC1,CHEMBL1950486,6.23
+CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2,CHEMBL1950487,6.49
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2,CHEMBL1950488,6.71
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCN(C3CCOCC3)C2)CC1,CHEMBL1950489,7.12
+Cn1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950490,6.65
+CN(Cc1ccccc1)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL1952279,8.82
+CN(Cc1ccccc1)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL1952280,6.6
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2,CHEMBL2010902,5.72
+O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CC(F)(F)C1,CHEMBL2010900,5.47
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010898,5.81
+O=C(NC1(C(=O)O)CCCCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019078,6.1
+O=C(O)CNC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019079,5.98
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O,CHEMBL2018656,5.87
+O=C(NC1(C(=O)O)CCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019080,6.59
+O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019081,6.74
+O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019082,5.51
+O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(Cc3ccc(F)cc3)c1=O)CCCCCC2,CHEMBL2019086,6.58
+N#Cc1ccc(Cn2c3c(cc(C(=O)NC4(C(=O)O)CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2019087,5.4
+CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1,CHEMBL2019090,5.365
+COc1cccc2c(-c3nsc(CN4CCN(CC(N)=O)CC4)n3)cn(CC3CCOCC3)c12,CHEMBL2017678,8.2
+O=C(NCCO)[C@H]1CCCN(Cc2nc(-c3cn(CC4CCS(=O)(=O)CC4)c4c(Cl)cccc34)ns2)C1,CHEMBL2017682,7.5
+NC(=O)CN1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CC1,CHEMBL2017684,7.7
+O=C(NCCO)C1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CC1,CHEMBL1682275,8.4
+COC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018655,8.77
+CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018657,8.54
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO,CHEMBL2018658,8.2
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCCCO,CHEMBL2018659,8.24
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCOCCO,CHEMBL2018660,8.47
+CN(C)CCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018661,6.62
+CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018662,8.33
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCC(N)=O,CHEMBL2016599,7.96
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1,CHEMBL2018664,8.1
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(=O)O)CC1,CHEMBL2018665,5.53
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(N)=O)CC1,CHEMBL2018666,8.31
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(NS(C)(=O)=O)CC1,CHEMBL2018778,7.41
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(=O)NS(C)(=O)=O)CC1,CHEMBL2018779,6.66
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN,CHEMBL2018780,7.52
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NNS(C)(=O)=O,CHEMBL2018781,7.49
+CC(C)[C@H](NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O,CHEMBL2023044,5.73
+O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023045,7.47
+O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023046,7.16
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023047,6.13
+O=C(O)c1ccccc1NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023048,5.6
+O=C(O)c1cccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)c1,CHEMBL2023049,5.81
+O=C(O)c1ccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2023574,6.43
+O=C(O)Cc1ccccc1NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023575,6.26
+O=C(O)Cc1cccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)c1,CHEMBL2023576,5.54
+O=C(O)Cc1ccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2023577,5.4
+O=C(O)Cc1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1,CHEMBL2023581,6.37
+O=C(O)Cc1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1,CHEMBL2023582,6.63
+O=C(O)CCc1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1,CHEMBL2023583,6.24
+C=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(C(C)(C)C=C)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1Nc1ccccc12,CHEMBL2022567,6.75
+Cc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2022403,7.28
+CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1,CHEMBL2022404,7.19
+Cc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2022405,8.34
+CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cc1,CHEMBL2022406,6.96
+O=C(NC1CCCCCC1)c1cccnc1OCc1ccc(F)cc1,CHEMBL2022703,7.0
+O=C(NC1CCCCC1)c1cccnc1OCc1ccc(F)cc1,CHEMBL2022702,5.74
+O=C(NC1CCCCC1)c1cc2ccccc2nc1OCc1ccc(F)cc1,CHEMBL2022700,5.92
+O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O,CHEMBL2022699,6.02
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(F)cc2)c1=O,CHEMBL2022698,7.37
+O=C(NC1CCCCC1)c1cccn(Cc2ccc(F)cc2)c1=O,CHEMBL2022696,7.15
+O=C(NC1CCCCC1)c1cccn(Cc2ccccc2)c1=O,CHEMBL2022695,6.1
+O=C(NC1CCCCCC1)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL2022694,6.63
+O=C(NC1CCCCC1)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL2022692,7.19
+O=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O,CHEMBL2022365,6.25
+O=C(NC1CCCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O,CHEMBL2022364,6.69
+O=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O,CHEMBL2022363,7.94
+O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O,CHEMBL2022362,6.52
+O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O,CHEMBL2022361,7.78
+O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccccc2)c1=O,CHEMBL2022360,7.17
+CCNC1(C(N)=O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030739,7.11
+Cc1c(C(=O)N2CCC(NC(=O)OC(C)(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030740,7.37
+Cc1c(C(=O)N2CCC(N)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030741,6.98
+CC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030742,7.2
+Cc1c(C(=O)N2CCC(NS(C)(=O)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2029362,8.14
+Cc1c(C(=O)N2CCC(NC(=O)NC(C)(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030743,7.33
+Cc1c(C(=O)N2CCC(NC(=O)NCc3ccccc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030744,7.37
+Cc1c(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030746,6.21
+Cc1c(C(=O)N2CCC(NC(=O)Nc3ccc(N(C)C)cc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030747,5.83
+CCCCCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030748,7.41
+Cc1c(C(=O)N2CCC(NC(=O)NC(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030749,7.87
+CCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030750,7.82
+CCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030751,8.12
+Cc1c(C(=O)N2CCC(NC(=O)NC3CCCCC3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030752,6.1
+CCCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030753,7.81
+Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030754,8.54
+CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030756,7.19
+Cc1c(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030759,7.83
+CCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030761,6.78
+Cc1c(C(=O)NC2CCN(C(=O)NC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030762,7.07
+CCCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030763,6.74
+CCCCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030764,6.73
+CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030765,8.04
+CC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030768,7.41
+Cc1c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030769,7.11
+CCCNC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030926,6.57
+CCOC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030929,7.18
+Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030930,7.65
+Cc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030933,7.93
+Cc1c(C(=O)N[C@@H]2CCCN(C(=O)NC(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030935,7.01
+CCCNC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030936,6.87
+CCCCNC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030937,6.9
+CCOC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030939,7.76
+CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1,CHEMBL2029730,6.24
+CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1,CHEMBL2029729,7.53
+CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1,CHEMBL2029728,7.76
+CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1,CHEMBL2029727,8.38
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1,CHEMBL2029726,6.75
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1,CHEMBL2029725,7.61
+CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029724,7.27
+CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029723,6.18
+CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029722,8.14
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029721,7.35
+Cn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2,CHEMBL2029720,5.84
+CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029719,8.55
+CN(CCCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029718,8.15
+NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063120,7.24
+CNC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063121,7.34
+CC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063122,9.09
+CC(C)C(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063238,8.205
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCOCC1,CHEMBL2063240,10.1
+CCOCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063242,9.085
+COC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063243,9.37
+CC(C)OC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063244,9.755
+CCNC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063245,9.94
+N#CC1(C(=O)NC2CCCOc3c2nn(-c2ccccc2Cl)c3-c2ccc(Cl)cc2)CC1,CHEMBL2063246,9.995
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccno1,CHEMBL2063248,9.45
+CS(=O)(=O)CC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063250,9.18
+CC(C)C(=O)N(C)C1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063251,8.36
+C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087089,6.25
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087090,5.78
+Cn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087091,6.31
+CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087092,6.16
+CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087093,5.82
+C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087094,6.28
+C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087096,5.74
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087097,5.62
+CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087099,6.46
+C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087101,5.44
+C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087102,5.41
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087104,7.32
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087106,5.55
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087107,5.98
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087108,6.47
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3cccs3)ccc21,CHEMBL2087109,5.44
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(-c3ccccc3)cc21,CHEMBL2087110,8.69
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc21,CHEMBL2087112,5.26
+CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152800,6.02
+CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152801,6.71
+CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152802,7.84
+CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152803,8.4
+CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152805,6.75
+COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152806,6.53
+C=Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152807,5.45
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O,CHEMBL2152808,6.4
+Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152809,5.73
+CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152810,6.74
+CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152811,7.96
+CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152812,8.33
+CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152813,8.61
+Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc32)c1,CHEMBL2152814,6.17
+CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152815,7.54
+COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152816,7.62
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O,CHEMBL2152818,7.41
+CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(-c3ccccc3)cc21,CHEMBL2152819,6.41
+CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Br)cc21,CHEMBL2152820,6.18
+CCCCCn1cc(C(=O)NC(C)C)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152821,7.68
+CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152822,7.06
+CCCCCn1cc(C(=O)NC(CC)CO)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152823,7.24
+CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152824,5.83
+CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152825,6.82
+CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152826,7.54
+CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152827,7.89
+CCCCCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152828,7.2
+CCCCCn1cc(C(=O)NOC)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152829,6.31
+CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152830,6.38
+CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc2)cc1)Cc1ccccc1,CHEMBL2160225,6.26
+CCN(CC)CCOc1cccc(C(=O)c2c(-c3ccc(OCCCCCCCN(C)Cc4ccccc4)cc3)oc3ccccc23)c1,CHEMBL2160223,5.59
+CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1,CHEMBL2160219,5.51
+CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccccc2)cc1)Cc1ccccc1,CHEMBL511575,6.49
+CN(CCCCCCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1,CHEMBL497755,5.55
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@H]2Cc1ccccc1,CHEMBL2163929,6.98
+CC(C)[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163927,6.07
+CC(C)[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163926,7.06
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163580,6.24
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163579,6.71
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163578,6.07
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163577,6.98
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163574,5.33
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163573,5.54
+CCC1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163948,6.28
+CCC1COc2c(F)c(F)cc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163947,5.76
+CCC1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163946,6.41
+CC1(C)COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163945,6.66
+CC(C)C1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163944,6.49
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163943,6.41
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163942,7.04
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163941,6.99
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163940,6.35
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163939,6.12
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(C)(CC(C)(C6)C4)C5)cn1c23,CHEMBL2163938,6.7
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163937,6.67
+CCCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163935,7.99
+CCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23,CHEMBL2163933,5.86
+CCC1COc2cccc3c(=O)c(C(=O)Nc4ccncc4)cn1c23,CHEMBL2163932,5.94
+CCC1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23,CHEMBL2163930,6.41
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163964,6.36
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163963,6.09
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163960,5.67
+Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3C(c1ccccc1)CO2,CHEMBL2163958,5.87
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC56CC7CC(CC(C7)C5)C6)cn2c34)cc1,CHEMBL2163957,5.41
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1,CHEMBL2163956,5.39
+CC1Oc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn(c23)C1c1ccccc1,CHEMBL2163954,5.61
+CC1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)C1c1ccccc1,CHEMBL2163953,5.51
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn4c5c(cccc5c1=O)OCC4c1ccccc1)(C3)C2,CHEMBL2163952,6.34
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163951,6.58
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163950,6.51
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163949,6.38
+O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163965,6.88
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C,CHEMBL2170526,6.98
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(I)c1C,CHEMBL2170530,6.71
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C,CHEMBL2170547,7.06
+CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C,CHEMBL2170548,6.75
+CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C(C)(C)C,CHEMBL2170549,6.25
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C,CHEMBL2170550,6.26
+CCCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2181541,5.0
+CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCCC1,CHEMBL2181546,5.31
+CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCC1,CHEMBL2181544,5.8
+CCCCC1(c2cc(OC)c3cc(Cc4ccccc4OC)c(=O)oc3c2)CCCC1,CHEMBL2181543,6.22
+CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2181542,5.93
+CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2181540,6.61
+CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2181539,5.99
+CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177264,5.58
+CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177263,5.84
+CCCCCc1cc(O)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1,CHEMBL2177262,5.19
+CCCCCc1cc(OC)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1,CHEMBL2177261,6.2
+CCCCCc1cc(O)c2cc(Cc3ccccc3Cl)c(=O)oc2c1,CHEMBL2177260,4.72
+CCCCCc1cc(OC)c2cc(Cc3ccccc3Cl)c(=O)oc2c1,CHEMBL2177259,7.48
+CCCCCc1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2177258,5.01
+CCCCCc1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2177257,7.49
+CCCCCc1cc(O)c2cc(Cc3cccc(C)c3)c(=O)oc2c1,CHEMBL2177256,5.66
+CCCCCc1cc(OC)c2cc(Cc3cccc(C)c3)c(=O)oc2c1,CHEMBL2177255,6.15
+CCCCCc1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1,CHEMBL2177254,5.79
+CCCCCc1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1,CHEMBL2177253,7.66
+CCCCCc1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177252,5.9
+CCCCCc1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177251,5.72
+CCCCCc1cc(O)c2cc(Cc3cccc(O)c3)c(=O)oc2c1,CHEMBL2177250,4.79
+CCCCCc1cc(OC)c2cc(Cc3cccc(OC)c3)c(=O)oc2c1,CHEMBL2177249,7.35
+COc1cccc(Cc2cc3c(OC)cc(CBr)cc3oc2=O)c1,CHEMBL2181552,5.32
+COc1cccc(Cc2cc3c(OC)cccc3oc2=O)c1,CHEMBL2181550,4.68
+Cc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179762,6.96
+O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL2180214,8.92
+CS(=O)(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180211,7.54
+CCCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180209,7.6
+CCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180208,7.55
+CC(C)NC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180207,7.85
+CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180205,8.82
+CCCCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180231,5.48
+CC(C)(C)OC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180226,7.62
+CCCCNC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180223,6.57
+CCCNC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180222,6.66
+CC(C)NC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180221,6.47
+CCNC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180220,6.71
+CC(C)(C)NC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180219,7.59
+CS(=O)(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180218,8.21
+NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180217,7.96
+CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180216,8.15
+NC(=O)C1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180215,8.75
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206851,6.28
+CCCCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206850,7.14
+CCCn1c(C)c(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206849,5.37
+CCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206848,5.53
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206847,7.27
+CCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206846,7.68
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206843,6.94
+CCCCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206842,7.64
+CCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206840,6.19
+CCCCCn1c(C)c(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206839,7.85
+CCCCCn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206838,8.6
+CCCn1c(C)c(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206837,6.3
+CCCn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206836,6.85
+CCCCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206835,7.85
+CCCCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206834,8.92
+CCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206833,6.43
+CCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206861,6.79
+CCCCCn1c(C)c(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206860,8.05
+CCCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206859,8.64
+CCCn1c(C)c(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206858,6.73
+CCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206857,7.03
+CCCCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206856,7.85
+CCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206855,8.14
+CCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206854,6.28
+CCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206853,6.62
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1c(F)cccc1C(F)(F)F,CHEMBL2205593,4.95
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205591,5.14
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205616,4.71
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205615,4.93
+Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL285486,5.95
+Cc1c(NC(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL2296779,7.33
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc([N+](=O)[O-])ccc1-2,CHEMBL2296780,7.2
+O=C(NC1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1CO,CHEMBL2296781,8.22
+Cc1c(C(=O)Nc2ccc(-c3ccsc3)cc2)nn(CCCCCCl)c1-c1ccccc1,CHEMBL2296782,7.7
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL286188,7.115
+CCCCCn1nc(C(=O)NN2CCCCC2)cc1-c1ccccc1,CHEMBL2296775,6.59
+CCCCCCCn1nc(C(=O)NN2CCCCC2)cc1-c1ccccc1,CHEMBL2296776,6.49
+Cc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)nn(CCCCCCl)c1-c1ccccc1,CHEMBL2296777,8.22
+Cc1c(C(=O)NN2CCCCC2)nn(C)c1-c1ccc(Cl)cc1,CHEMBL2296778,4.46
+Cc1c(C(=O)NN2CCCCC2)nn(C2CCCCC2)c1-c1ccccc1,CHEMBL432857,6.22
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,CHEMBL36250,7.22
+Cc1c(C(=O)NN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL94239,6.43
+Cc1c(C(=O)N(C)c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL2296783,7.51
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(N)cc1,CHEMBL349955,7.09
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1Br,CHEMBL2296784,7.93
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1,CHEMBL285153,6.91
+COCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1C1C2(C)CCC(C2)C1(C)C,CHEMBL2296785,6.62
+COc1ccc(-c2c(F)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL2296786,7.74
+Cc1ccc(Cn2nc(C(=O)NC3CC4CCC3(C)C4(C)C)c(C)c2-c2ccc(Cl)c(C)c2)cc1,CHEMBL2296787,6.4
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1c-2cccc1[N+](=O)[O-],CHEMBL2296774,7.0
+CCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL32929,5.45
+CCCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL287472,6.69
+CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1,CHEMBL285259,7.09
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL2316262,6.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12,CHEMBL2316261,6.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc21,CHEMBL2316259,7.37
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc21,CHEMBL2316284,7.86
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21,CHEMBL2316283,7.28
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21,CHEMBL2316282,7.07
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc21,CHEMBL2316281,5.83
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21,CHEMBL2316280,6.84
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21,CHEMBL2316279,6.81
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21,CHEMBL2316274,5.32
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316273,5.34
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316272,5.29
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316271,5.43
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21,CHEMBL2316269,6.36
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c21,CHEMBL2316268,6.02
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316264,6.06
+CCCCCn1cc(C(=O)NC(C)CCC(C)C)c(=O)c2c(C)nn(C)c21,CHEMBL2316301,5.75
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316300,5.98
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316299,6.1
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316298,6.6
+CCCCCn1cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316297,6.14
+CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316296,5.34
+CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316295,5.95
+Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1,CHEMBL2316292,5.37
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316291,5.41
+CCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316287,6.12
+CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316286,5.9
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316285,6.3
+CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1,CHEMBL2326303,6.69
+CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,CHEMBL2326302,5.49
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2326300,5.47
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326299,6.66
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326298,6.36
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2326297,5.89
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326296,6.39
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326295,6.07
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326294,6.29
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326290,6.06
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326289,6.86
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326287,5.18
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326286,5.95
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326285,5.75
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326311,5.08
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2326309,5.14
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326308,5.69
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326307,5.37
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326306,4.96
+CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1,CHEMBL32362,5.65
+C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1,CHEMBL180920,5.5
+C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,CHEMBL16901,5.19
+COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1,CHEMBL2336528,6.23
+CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336549,6.22
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336548,5.85
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336547,6.18
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336546,5.89
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336545,6.08
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336544,5.7
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336543,6.3
+C=CCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1,CHEMBL2336542,5.9
+CCN(CC)c1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336541,6.3
+CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336540,6.47
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336539,6.68
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336538,7.09
+CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336537,6.21
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336536,6.24
+CCN(CC)c1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336535,6.25
+CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336534,5.65
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336566,6.16
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336565,6.28
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2336562,6.03
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2336561,6.37
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1,CHEMBL2336552,5.89
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336573,5.64
+O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12,CHEMBL2338173,8.17
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1,CHEMBL2347048,5.01
+O=C(NN1CCCCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1,CHEMBL2347045,5.34
+CCCCCc1cc(-c2ccccc2)n(-c2ccccc2)n1,CHEMBL2347040,5.21
+CCCCCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL328379,6.08
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381785,6.08
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381784,6.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381812,6.21
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381811,6.22
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381810,6.17
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12,CHEMBL2381809,6.92
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381808,6.7
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381807,6.38
+CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12,CHEMBL2381806,5.61
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12,CHEMBL2381805,5.48
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12,CHEMBL2381804,5.95
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381803,6.28
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381802,5.89
+Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL2381801,7.91
+CCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387186,6.04
+CCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2,CHEMBL2387185,9.0
+CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2,CHEMBL2387183,7.72
+CCCCn1c2c(cc(C(=O)NC(C)C)c1=O)CCCCCC2,CHEMBL2387182,6.23
+COCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387179,5.75
+CC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387178,8.05
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387078,6.05
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCC2,CHEMBL2387076,6.13
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2,CHEMBL2387075,6.84
+CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O,CHEMBL2387074,6.49
+CCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O,CHEMBL2387073,6.22
+COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C,CHEMBL2387536,5.0
+CCCCCc1cc(OC)c2cc(Cc3ccc(Br)cc3)c(=O)oc2c1,CHEMBL2387532,4.99
+CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1,CHEMBL2387530,6.21
+COc1c(C)c(C)c2oc(=O)c(Cc3ccccc3C)cc2c1C,CHEMBL2387538,5.1
+COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O,CHEMBL2387533,5.44
+O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F,CHEMBL2436766,8.21
+O=C(CC1CCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436762,8.69
+CC(C)CCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436761,8.57
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C1CCCC1,CHEMBL2436760,8.81
+CC(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436759,8.4
+O=C(CC1CCCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436758,8.71
+CCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436757,7.71
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C1CCCCC1,CHEMBL2436756,8.47
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)Oc1ccccc1,CHEMBL2436755,8.59
+CCOC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436754,8.45
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn(CC)nc32)C1=O,CHEMBL3086345,5.07
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn(C)nc32)C1=O,CHEMBL3086347,4.85
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn[nH]c32)C1=O,CHEMBL3086346,6.49
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)n1,CHEMBL3109761,7.59
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1,CHEMBL3109760,5.74
+O=C(N[C@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109758,6.98
+O=C(N[C@@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109757,6.73
+O=C(N[C@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109756,6.61
+C[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1)C1CC1,CHEMBL3109755,7.46
+O=C(NN1CCCCC1)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109754,6.25
+CS(=O)(=O)Nc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1,CHEMBL3109750,5.72
+N#Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1,CHEMBL3109749,7.63
+COc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1,CHEMBL3109748,7.18
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)c1,CHEMBL3109747,7.63
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1,CHEMBL3109746,7.73
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1,CHEMBL3109745,7.37
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1,CHEMBL3109744,7.17
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cccc(Cl)c2)c1,CHEMBL3109743,6.89
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)c(Cl)c2)c1,CHEMBL3109784,6.52
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccccc2Cl)c1,CHEMBL3109783,6.72
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2Cl)c1,CHEMBL3109782,6.91
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109781,7.78
+CN(CC1CC1)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1,CHEMBL3109780,7.29
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccn2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109779,6.86
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2cccnc2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109778,7.63
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109777,7.23
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ncccn2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109776,7.29
+Cc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1,CHEMBL3109775,7.97
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109774,7.4
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1,CHEMBL3109773,7.91
+COCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1,CHEMBL3109772,8.29
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109771,7.94
+CC(C)Oc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1,CHEMBL3109770,5.97
+CCCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1,CHEMBL3109769,7.36
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109768,6.68
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109767,6.43
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109766,5.78
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCCC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109765,5.52
+Brc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1,CHEMBL3116301,5.77
+Nc1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1,CHEMBL3116299,4.96
+Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CHEMBL3116298,5.4
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1,CHEMBL3116295,5.86
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1,CHEMBL3116294,5.89
+CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21,CHEMBL3116293,5.8
+O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2Cc1cccc2ccccc12,CHEMBL3116292,5.42
+O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1,CHEMBL3116291,6.22
+CCCCCn1nc(OCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc21,CHEMBL3116289,6.1
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CHEMBL1973869,5.92
+CCCCCOc1nn(CCCCC)c2ccc([N+](=O)[O-])cc12,CHEMBL3116287,5.89
+c1ccc2cc(COc3nn(CCN4CCCCC4)c4ccccc34)ccc2c1,CHEMBL3116286,5.85
+c1ccc2c(COc3nn(CCN4CCCCC4)c4ccccc34)cccc2c1,CHEMBL3116284,5.52
+c1ccc2c(COc3nn(CCN4CCCC4)c4ccccc34)cccc2c1,CHEMBL3116283,6.25
+COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1,CHEMBL3116281,5.62
+c1ccc(COc2nn(Cc3ccccc3)c3ccccc23)cc1,CHEMBL3116279,5.59
+c1ccc2c(c1)c(OCC1CCCCC1)nn2CC1CCCCC1,CHEMBL3116278,6.7
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1,CHEMBL3114826,6.09
+OCCCCCCCCCCCCCCCN[C@H](CO)Cc1ccc(O)cc1,CHEMBL3114822,6.28
+CC1CCC(NC(=O)c2cccnc2OCc2ccccc2)CC1,CHEMBL3114347,5.51
+CC1CCC(NC(=O)c2cccnc2OCc2ccc(F)cc2)CC1,CHEMBL3114346,6.05
+O=C(NC1CCCCCC1)c1cccnc1OCc1ccccc1,CHEMBL3114345,5.72
+CCOC(=O)/C=C/c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1,CHEMBL3114344,7.61
+O=C(NC1CCCCCC1)c1cc(/C=C/c2ccccc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114343,7.62
+O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)cn(CCN2CCOCC2)c1=O,CHEMBL3114342,5.56
+O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114341,7.62
+O=C(NC1CCCCCC1)c1cc(-c2ccccc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114182,7.46
+COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2)cc1,CHEMBL3114181,7.2
+CCCCn1cc(Br)cc(C(=O)NC2CCCCCC2)c1=O,CHEMBL3114180,7.64
+O=C(NC1CCCCCC1)c1cc(Br)cn(CCN2CCOCC2)c1=O,CHEMBL3114179,6.61
+O=C(NC1CCCCCC1)c1cc(Br)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114178,8.06
+CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O,CHEMBL3114175,5.79
+CC1CCC(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1,CHEMBL3114173,6.41
+CC1CCC(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3114172,7.15
+O=C(NC1CCCCCC1)c1cccn(Cc2cccc(I)c2)c1=O,CHEMBL3114169,5.74
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(I)cc2)c1=O,CHEMBL3114351,5.9
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(Cl)cc2)c1=O,CHEMBL3114350,7.26
+O=C(NC1CCCCCC1)c1cccn(Cc2ccccc2)c1=O,CHEMBL3114349,7.25
+CC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C,CHEMBL3120631,4.97
+CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C,CHEMBL1257246,5.15
+CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1,CHEMBL1258979,5.36
+CCOc1ccc(Cc2nc3cc(C(=O)N(C)CC)ccc3n2CCC(C)C)cc1,CHEMBL3127262,5.5
+O=C1N2CCCCSC2=NC1(c1ccccc1)c1ccccc1,CHEMBL3220952,5.87
+O=C1N2CCSC2=NC1(c1ccccc1)c1ccccc1,CHEMBL3220947,4.68
+CCOC(=O)COc1cccc(/C=C2\N=C3SCCCCN3C2=O)c1,CHEMBL3221203,5.32
+O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N=C2SCCCCN12,CHEMBL3221202,6.07
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCCN12,CHEMBL3221201,5.5
+O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCCN12,CHEMBL3221200,5.64
+O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)N=C2SCCCCN12,CHEMBL3221199,5.67
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCCN12,CHEMBL3221198,6.6
+O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12,CHEMBL3221197,5.67
+O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCCN12,CHEMBL3221196,5.8
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12,CHEMBL3221190,5.68
+CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)O)c1,CHEMBL3234035,6.48
+CCCCCCC(C)(C)c1cc(OC)c([C@]2(O)CCC[C@@H](C)C2)c(OC)c1,CHEMBL3234037,5.3
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OCCN,CHEMBL187349,6.04
+COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c12,CHEMBL3234671,6.61
+COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12,CHEMBL3235057,7.62
+CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br,CHEMBL3234707,5.13
+Cc1c2n(c(=O)c3cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c13)CCCC2,CHEMBL3234708,5.58
+Cc1nn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1,CHEMBL3260733,6.68
+COc1nn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1,CHEMBL3260734,8.0
+O=c1[nH]n2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1,CHEMBL3260735,5.4
+Cn1c(=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n21,CHEMBL3260736,7.74
+N#Cc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)c(=O)n(Cc4ccc(C#N)cc4)n3c2=O)cc1,CHEMBL3260737,8.38
+Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O,CHEMBL3260738,6.67
+Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O,CHEMBL3260739,7.54
+Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3)n2c1=O,CHEMBL3260740,7.55
+Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccncc2)c(-c2ccc(Cl)cc2)c2nn(C)c(=O)n21,CHEMBL3260741,8.05
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3)n2c1=O,CHEMBL3260742,7.82
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260743,8.35
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260744,8.08
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260745,8.85
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260746,8.52
+CCc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nn(CC)c(=O)n21,CHEMBL3260747,8.8
+Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nn(C(C)C)c(=O)n21,CHEMBL3260748,8.72
+CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3259829,8.77
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C)cc3)n2c1=O,CHEMBL3260749,7.92
+CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260750,8.54
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O,CHEMBL3260751,8.3
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260752,8.3
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260753,8.33
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O,CHEMBL3260754,8.49
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnn(C)c3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O,CHEMBL3260755,7.04
+CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(N(C)C)nc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O,CHEMBL3260756,7.11
+CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21,CHEMBL3290053,6.2
+COc1cccc2c(C(=O)N3CCN(C)[C@@H](C)C3)cn(CC3CCCCC3)c12,CHEMBL3347369,8.9
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353450,5.39
+CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353452,7.49
+CC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353453,7.18
+CC1CCC(NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353454,7.28
+CC1CCC(NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353448,5.46
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353446,6.33
+C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353445,6.37
+CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353444,5.48
+COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCC(C)CC2)c(=O)n3Cc2ccc(F)cc2)cc1,CHEMBL3353443,5.49
+CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353442,6.12
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353441,6.92
+C[C@H]1CC[C@H](NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353440,6.78
+CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353439,7.02
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1,CHEMBL3353438,7.45
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1,CHEMBL3353437,7.65
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1,CHEMBL3353436,6.0
+CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353424,6.04
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353423,5.64
+N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1cccc(Br)c12,CHEMBL3353822,5.49
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CHEMBL3353833,7.21
+Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CHEMBL3353834,6.56
+CCCCCc1cc(O)cc(OCCCCCCCCCCCCNC2CC2)c1,CHEMBL3321781,6.08
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNC2CC2)c1,CHEMBL3321780,5.68
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1,CHEMBL3321779,5.91
+C=CCNCCCCCCCCCCCOc1cc(O)cc(CCCCC)c1,CHEMBL3323699,5.94
+CCCCCc1cc(O)cc(OCCCCCCCCCN[C@H](C)CO)c1,CHEMBL3323698,5.97
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCCNC(=O)C1CC1,CHEMBL3323696,6.05
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCNC(=O)C2CC2)c1,CHEMBL3323695,5.68
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNC(=O)C2CC2)c1,CHEMBL3323694,5.56
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN2CCCCC2)c1,CHEMBL3323693,5.75
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN(C)C)c1,CHEMBL3323692,6.07
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1,CHEMBL3323684,6.4
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1,CHEMBL3323683,6.36
+C=CCNC(=O)CCCCCCCOc1cc(O)cc(C(C)(C)CCCCCC)c1,CHEMBL3323682,8.14
+C=CCNC(=O)CCCCCCCCCCOc1cc(O)cc(CCCCC)c1,CHEMBL3323681,6.87
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1,CHEMBL3323678,5.72
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC(CO)CO)c1,CHEMBL3323677,6.75
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323675,6.88
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323674,7.76
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323673,6.58
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323672,7.89
+CCCCCc1cc(O)c2c(c1)OC1=C(CC[C@H](C)C1)C2(C)C,CHEMBL3329480,5.68
+CCCCCc1cc(O)c2c(c1)OC1=C(CC[C@@H](C)C1)C2(C)C,CHEMBL3329481,5.96
+Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1,CHEMBL3329483,6.0
+CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1,CHEMBL3329945,8.3
+CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1,CHEMBL3329946,7.54
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1,CHEMBL2415106,6.32
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1,CHEMBL2413161,5.05
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1,CHEMBL2413162,5.06
+CCC/C=C/C/C=C/CCC/C=C/C=C/C(=O)NCC(C)CC,CHEMBL3314943,6.51
+CCC/C=C\C#C/C=C\C=C\CC/C=C/C=C/C(=O)NCC(C)C,CHEMBL3314941,5.07
+CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#Cc2ccc(C(F)(F)F)cc2)s1,CHEMBL3341897,8.52
+Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCC#N)cc1,CHEMBL3341898,9.0
+CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)C1Cc1ccc(F)cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3341900,8.05
+COc1c(C)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3397448,6.12
+COc1c(C)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3397449,5.82
+COc1c(C)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3397450,5.96
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1,CHEMBL3397517,6.8
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3397518,6.21
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3397519,6.74
+CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)NC2CCCCCC2)c1OC,CHEMBL3397520,5.83
+CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC,CHEMBL3397521,5.64
+CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3397522,5.81
+COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1Cl,CHEMBL3409322,5.32
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)c(O)c2cccnc21,CHEMBL3422792,6.15
+CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3422791,6.2
+CC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3422790,6.86
+CC1CCC(NC(=O)c2cc3ccccc3n(CCCO)c2=O)CC1,CHEMBL3422789,5.42
+CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422788,6.64
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422787,6.26
+CCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422786,5.58
+CC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3422785,6.1
+CC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3422784,7.71
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCSCC1,CHEMBL3581220,5.63
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581222,6.07
+CC(C)(C)c1cc(-c2csc(C3(N)CCOCC3)n2)cc(C(C)(C)C)c1O,CHEMBL3581223,5.16
+CNC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581224,5.64
+CCN(CC)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581225,5.48
+CC(C)(C)c1cc(-c2csc(C3(N4CCCCC4)CCOCC3)n2)cc(C(C)(C)C)c1O,CHEMBL3581226,5.66
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)co2)CCOCC1,CHEMBL3581228,6.09
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581229,5.33
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@@H]21,CHEMBL3586111,5.25
+CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2,CHEMBL3586110,7.33
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@]3(C)O[C@H]3[C@@H]21,CHEMBL3586109,6.65
+C=C1CC[C@@H]2[C@H](c3c(O)cc(CCCCC)cc3OC2(C)C)[C@H]1O,CHEMBL3586108,6.93
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]21,CHEMBL3586107,6.08
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)[C@H](O)[C@@H]21,CHEMBL3586106,7.51
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](O)C(C)=C[C@@H]21,CHEMBL3586105,7.19
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@@H]21,CHEMBL3586104,5.72
+C=CCCC/C=C/C=C(\C)CCCC/C=C/CC/C=C\C(=O)NC(CO)CO,CHEMBL3597332,6.33
+COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCC(Cl)Cl,CHEMBL3597331,6.39
+COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl,CHEMBL3597330,6.23
+O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)C1CCCCC1,CHEMBL3605034,6.52
+Cc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605035,5.03
+O=C(c1cccc(C(F)(F)F)c1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL3605039,5.38
+CCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605040,5.94
+CC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605043,5.48
+CC(C)(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605045,5.6
+O=C(c1ccc(Cl)cc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL3605047,5.33
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613097,5.83
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3CC4CC[C@@]3(C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613099,6.43
+Cc1ccc(Cn2cc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613108,5.51
+Cc1c(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759228,7.37
+Cc1c(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758491,7.36
+Cc1c(C(=O)NC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759254,8.02
+CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3758753,7.35
+Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758884,8.12
+Cc1c(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759255,8.04
+Cc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758338,7.54
+CCCCC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3759440,7.84
+Cc1c(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758534,8.72
+Cc1c(C(=O)NC2CCN(C(=O)OC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759785,8.19
+CCCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3759222,8.05
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccco3)nc12,CHEMBL3774483,5.93
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)cc3)nc12,CHEMBL3774919,5.82
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)nc12,CHEMBL3774721,5.2
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(OC)cc3)nc12,CHEMBL3774717,5.43
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(OC)cc3)nc12,CHEMBL3775107,5.23
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3)nc12,CHEMBL3775267,5.28
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)nc12,CHEMBL3774980,5.33
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3774565,6.19
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3775328,5.61
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3775966,5.49
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)nc12,CHEMBL3774406,6.33
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)nc12,CHEMBL3775313,6.31
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12,CHEMBL3775264,6.21
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2ncnc12,CHEMBL3775571,6.14
+O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781707,5.39
+O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3780457,5.38
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781781,5.73
+C=CCc1ccc(O)c(-c2ccc(OCCCC)c(CC=C)c2)c1,CHEMBL3799723,6.21
+COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3798474,5.6
+COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3798776,5.81
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3797787,5.97
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3799406,5.73
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1,CHEMBL3798133,5.55
+COc1ccc(-c2cc(Cc3ccc(F)cc3)c(OC)c(C(=O)N[C@H]3CC[C@@H](C)CC3)c2)cc1,CHEMBL3799538,6.42
+COc1ccc(-c2cc(Cc3ccc(F)cc3)c(OC)c(C(=O)N[C@H]3CC[C@H](C)CC3)c2)cc1,CHEMBL3797983,5.93
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3799040,6.08
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3797270,5.51
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3799936,6.04
+CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3798087,5.6
+CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c1OC,CHEMBL3799151,5.21
+CCCCc1cc(-c2ccccc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3800192,6.26
+CCCCc1cc(-c2ccccc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC,CHEMBL3800638,5.44
+CCCCc1cc(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c1OC,CHEMBL3798158,5.73
+CCCCCCC(C)(C)c1cc(O)c(C2CCCCC2)c(O)c1,CHEMBL3809355,7.96
diff --git a/chembl_200/CHEMBL2185.csv b/chembl_200/CHEMBL2185.csv
new file mode 100644
index 0000000000000000000000000000000000000000..aae9b0a4c0a4bbf5f96777031c79966b47fa7170
--- /dev/null
+++ b/chembl_200/CHEMBL2185.csv
@@ -0,0 +1,704 @@
+CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL402548,7.1
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,7.1
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(C(F)(F)F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1,CHEMBL405120,6.29
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL385049,9.0
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL424899,9.0
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO,CHEMBL386253,9.0
+CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC,CHEMBL215275,9.0
+CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC,CHEMBL217804,8.7
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,8.5
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL484950,7.57
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCCCC3)n2)cc1,CHEMBL484951,8.1
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCOCC3)n2)cc1,CHEMBL482778,7.85
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCNCC3)n2)cc1,CHEMBL482779,7.74
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)cc1,CHEMBL484609,7.7
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(CC)CC3)n2)cc1,CHEMBL485351,7.6
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C4CC4)CC3)n2)cc1,CHEMBL485186,8.02
+Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL549322,6.23
+Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1,CHEMBL562415,6.35
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1,CHEMBL562416,6.73
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1,CHEMBL564459,6.17
+COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1,CHEMBL551634,6.0
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL552500,6.24
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC,CHEMBL564290,6.92
+Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1,CHEMBL552033,6.64
+Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1,CHEMBL556460,6.6
+CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL549668,6.98
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL564941,7.24
+Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1,CHEMBL564449,7.29
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1,CHEMBL561421,7.82
+CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL549469,6.68
+CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL562497,6.66
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1,CHEMBL557279,7.08
+CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL560556,6.82
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C3CC3)n2)cc1,CHEMBL561617,7.23
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C(C)(C)C)n2)cc1,CHEMBL565183,6.94
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1,CHEMBL554941,6.84
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3cccnc3)n2)cc1,CHEMBL557682,7.28
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccncc3)n2)cc1,CHEMBL560630,7.31
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCC3)n2)cc1,CHEMBL563682,7.64
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,7.1
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.1
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,5.9
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,6.1
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,5.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.4
+CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,CHEMBL554,5.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.7
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,5.6
+COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,CHEMBL259850,5.2
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.7
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.6
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.2
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,8.0
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.9
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.1
+CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1,CHEMBL1090479,9.42
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.3
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1,CHEMBL1083484,7.74
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1,CHEMBL1083786,7.89
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1083785,8.01
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(N)nc4C)n3)cc2)CC1,CHEMBL1084969,8.42
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084630,8.22
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084629,8.03
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1085626,8.05
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1,CHEMBL1084715,8.4
+CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1086088,8.22
+CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1083152,8.52
+COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC,CHEMBL1083151,8.7
+CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1,CHEMBL1083150,7.48
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1,CHEMBL46817,7.82
+Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL298445,7.24
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.1
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,5.8
+c1ccc(CCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682342,6.28
+c1ccc(CCCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682343,5.71
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,6.31
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.6
+Clc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682347,6.26
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682348,6.8
+Clc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682349,6.73
+Fc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682350,7.8
+Fc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682351,7.38
+Cc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682353,7.82
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1Cl,CHEMBL1682354,7.18
+Clc1cc(Cl)cc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682356,6.62
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,7.59
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.615
+Cc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682542,5.35
+Nc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682543,5.67
+CCNc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682544,5.47
+c1ccc(CCNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682547,6.09
+c1ccn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2c1,CHEMBL1682550,5.06
+c1cn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2cn1,CHEMBL1682551,5.68
+Clc1ccc(Nc2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682555,5.55
+Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)[nH]n1,CHEMBL1778662,7.0
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.9
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.8
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.9
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.8
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.2
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.7
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,7.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,6.2
+COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1,CHEMBL1971271,8.0
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.8
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.6
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,7.7
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.8
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,7.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCC(O)CO,CHEMBL1981045,5.4
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.8
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,6.7
+Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1C,CHEMBL1974408,6.9
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.9
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.7
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,7.8
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.5
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.4
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,8.1
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.7
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,6.0
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,7.4
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,5.3
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,6.3
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,7.2
+O=C(CCCCCCC(=NO)c1ncco1)Nc1cccc(-c2ccccc2)c1,CHEMBL1992935,7.6
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.5
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.9
+Cc1[nH]nc2c1c(=O)n(C)c1ccccc21,CHEMBL1981183,7.3
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,6.2
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,5.9
+Nc1ncnc2sccc12,CHEMBL1972934,4.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.0
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,6.3
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,7.6
+O=C(Nc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL1993510,8.6
+COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL2004072,5.4
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.7
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.7
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.8
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.5
+CCNNc1cc(C)c(C#N)c2nc3ccccc3n12,CHEMBL2000433,5.2
+CS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1985433,7.4
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,6.2
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,8.4
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.3
+Cc1cc(C(=O)NCCOCCOCCN)ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)[nH]c12,CHEMBL1976396,5.4
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,8.5
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.6
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.0
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.9
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,5.2
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,7.1
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,8.4
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.9
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,6.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,7.9
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,5.2
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.2
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.3
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.3
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.9
+Nc1[nH]nc2c(OCCCn3cccc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL1965387,6.6
+CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1,CHEMBL1970534,7.3
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.5
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,8.0
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.8
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,8.1
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,8.5
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,7.0
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,7.1
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.5
+Cc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O,CHEMBL379835,5.2
+CC(C)CC(CO)NC(=O)C=Cc1cnc(N)c2ccccc12,CHEMBL1969284,7.8
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.2
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,8.6
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.2
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,5.2
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.4
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.2
+CN(c1ccccc1CNc1nc(N)nc2[nH]ccc12)S(C)(=O)=O,CHEMBL1970006,6.1
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,5.8
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.5
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.6
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.9
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,5.8
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.3
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.8
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.7
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.6
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCc4ccccc4)cc[nH]c3=O)nc12,CHEMBL2005714,7.0
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.0
+COc1cc(Nc2ncnc(Nc3ccn[nH]3)n2)cc(OC)c1OC,CHEMBL1965303,6.5
+Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,6.0
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.3
+NC(=O)c1cccc2[nH]c(-c3ccc(-n4ccc(CN5CCCCC5)c4)cc3)nc12,CHEMBL2006873,7.4
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,7.7
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.6
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,6.0
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.2
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,8.4
+Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1381197,5.4
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,8.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.3
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.8
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.9
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,6.2
+CCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1977652,7.5
+CC(Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(F)cc1,CHEMBL1976530,7.1
+O=C(O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F,CHEMBL243749,8.7
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.6
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.6
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,7.2
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.0
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.9
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.7
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.2
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.8
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.8
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.8
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,6.0
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.1
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.3
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,5.7
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,5.7
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.5
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.8
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,6.0
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,7.4
+Cc1cc(N=Cc2ccc(O)c(O)c2)c2ccccc2n1,CHEMBL1991915,8.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)cc(C)c5o4)c(F)c3)c3c(N)ncnc32)CC1,CHEMBL1988769,8.1
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.8
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,8.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.5
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,7.3
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,5.8
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.1
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Cl)c1,CHEMBL1999910,8.4
+O=c1c2c([nH]c3cc(-c4ccco4)nn13)CSC2,CHEMBL1972152,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.6
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,6.1
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,7.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.0
+COc1cc(Nc2ncc(C(F)(F)F)c(OC)n2)cc(OC)c1OC,CHEMBL1993966,7.8
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,6.5
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.3
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.4
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.6
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.9
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.2
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.0
+N=C(N)Cc1cccc(-c2nc3ccccc3[nH]2)c1,CHEMBL2003622,5.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,8.1
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,7.9
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.4
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,6.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,8.2
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,7.9
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.0
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O,CHEMBL487402,7.4
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,9.1
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.5
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,6.1
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,6.1
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,6.0
+CCCCOc1ccc(C(C)(C)CC)cc1S(=O)(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1,CHEMBL1985690,5.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,8.0
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL1968606,6.2
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.8
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.5
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.8
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.4
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.7
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.2
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1ccccc1F,CHEMBL1988038,7.7
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.5
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.5
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.3
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.4
+COc1cccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)c1,CHEMBL2007009,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,6.7
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.6
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,5.7
+CN(C)C(=O)C=Cc1ccc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2c(N)[nH]nc12,CHEMBL1972472,8.5
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,5.9
+Cc1ccc(-c2c(C#N)c(N)nc3cc(C)nn23)cc1,CHEMBL1968565,7.0
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.6
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.8
+Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,CHEMBL2001646,5.4
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.4
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.3
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.5
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.3
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.2
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.8
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.2
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.0
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,5.8
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,8.6
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.9
+O=C(Nc1cccc(Cl)c1)Nc1nc(CCNc2ncnc3ccsc23)cs1,CHEMBL1986177,6.0
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,5.2
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.6
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,5.9
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,5.7
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.6
+Brc1ccc2c(c1)-c1n[nH]cc1C2,CHEMBL1995172,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,6.5
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.5
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,8.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.0
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,7.8
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.6
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.1
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.8
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.5
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.95
+CCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL2005800,8.0
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.7
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.9
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,6.8
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,6.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Br)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1972851,8.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.3
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.8
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1,CHEMBL1965033,6.0
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.7
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.2
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.9
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.1
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,6.0
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.7
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,7.8
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.2
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,5.5
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1CC3,CHEMBL1985523,8.9
+Cc1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1C,CHEMBL1994968,5.8
+Cn1c(SC(C(=O)O)c2ccccc2)nc2ccccc2c1=O,CHEMBL1981556,7.1
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,6.0
+Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1968103,5.2
+NC1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2cccn23)CC1,CHEMBL1967620,6.8
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.1
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,5.3
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.3
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.5
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.3
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.0
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.6
+COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(NC(=O)COCC(=O)O)c23)cc1,CHEMBL1980521,5.9
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.3
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.2
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,6.0
+CC(=O)Nc1cc2ccccn2n1,CHEMBL1976872,4.3
+Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1,CHEMBL2003604,8.1
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.2
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.1
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,5.7
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,6.2
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,8.6
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.4
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,5.3
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.8
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,8.3
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.9
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.7
+CN(C)CC(=O)Nc1[nH]nc2cc(-c3cn(Cc4ccccc4)nn3)ccc12,CHEMBL1972795,5.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,8.0
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,6.3
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.5
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.7
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.2
+CC1(C)CC(C=Cc2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21,CHEMBL1987334,6.7
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.9
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,7.2
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,8.0
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.7
+Nc1nc(SCC(=O)Nc2ncccn2)nc2nc[nH]c12,CHEMBL1982388,7.1
+Nc1ccc(-c2csc3ccnc(N)c23)cc1,CHEMBL231153,6.7
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,6.5
+Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1,CHEMBL1991143,5.8
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.0
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,5.9
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.0
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.5
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.7
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.0
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,7.3
+CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1966411,8.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,5.3
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,5.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)nc12,CHEMBL1992527,7.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.3
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.8
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,7.2
+Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1,CHEMBL1978973,6.8
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,7.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,5.5
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,7.4
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,5.2
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL1992645,5.8
+COc1cc(-c2ccc3c(c2)Nc2cc(OCCCCO)c(OC)cc2NC3=O)ccc1O,CHEMBL2000746,5.8
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.9
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,7.3
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.4
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.2
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,7.55
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.7
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.2
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.1
+NC(=O)c1cccc2[nH]c(-c3cccc(NCCN4CCCC4)n3)nc12,CHEMBL1985309,5.9
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,7.5
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,5.5
+COc1cc(Nc2ncc(C(F)(F)F)c(N)n2)cc(OC)c1OC,CHEMBL1998724,7.4
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,7.1
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,7.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.7
+COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1,CHEMBL1979749,6.6
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.7
+O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c1)c1c(F)cccc1F,CHEMBL1969834,8.3
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.2
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,6.3
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.4
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.0
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,7.4
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.1
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,7.4
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.4
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.9
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.7
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.9
+N=C(NO)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1996539,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,7.8
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,6.2
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.9
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.5
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,5.3
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,6.2
+Cc1cccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)c1,CHEMBL243517,8.9
+OCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1,CHEMBL2004871,5.7
+CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL1969879,5.7
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1,CHEMBL1971463,5.8
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(F)c1,CHEMBL1987658,8.2
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,6.8
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.6
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,7.8
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.5
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,7.9
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.9
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,7.3
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,6.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,8.4
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,8.6
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.6
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.1
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,5.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,7.3
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.1
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,6.0
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,4.8
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.3
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.9
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,7.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.4
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.4
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,6.2
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,6.8
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.7
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.5
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,8.1
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,5.7
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.1
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,5.6
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.5
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.1
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,6.4
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.3
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.5
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,6.0
+O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(O)c2)o1,CHEMBL496412,7.4
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,5.7
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.0
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,5.6
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,7.3
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.7
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2)c1,CHEMBL1982837,8.8
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.6
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.7
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,5.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.0
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.9
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.6
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.6
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,7.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.9
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.4
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.2
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.3
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.8
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.2
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.5
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.1
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.6
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.3
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.6
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.5
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.4
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.0
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,5.7
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,6.5
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,6.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.0
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.6
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccsc2)n1,CHEMBL2006567,5.2
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,8.4
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.9
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,8.0
+Nc1ccc(S(=O)(=O)O)c2cccc(O)c12,CHEMBL1618860,6.6
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,7.1
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,8.2
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,7.1
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.2
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.5
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.6
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.9
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.1
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,6.0
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,8.1
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.5
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.8
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4n[nH]c(N)c34)cc2)c1,CHEMBL2007266,6.6
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,6.3
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.2
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.2
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,6.9
+O=C(Nc1ccccc1)Nc1ccccn1,CHEMBL143703,4.1
+CCc1cccc(NC(=O)Nc2ccc(-c3c(C)oc4ncnc(N)c34)cc2)c1,CHEMBL1979528,7.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)ccc5o4)c(F)c3)c3c(N)ncnc32)CC1,CHEMBL2001535,8.0
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.4
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.8
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.7
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,6.6
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4n[nH]c(N)c34)cc2)c1,CHEMBL1993073,8.0
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.8
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,5.5
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.6
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,8.2
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,5.9
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.7
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,8.0
+N=C(NO)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1,CHEMBL1968271,7.7
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.0
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,7.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,6.4
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,7.4
+COc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1O,CHEMBL1964519,8.3
+CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Br)cc1,CHEMBL2003871,5.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.6
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.3
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.7
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.7
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.4
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.5
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.7
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,5.5
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.9
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.6
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.8
+NC(=O)c1cccc2[nH]c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)nc12,CHEMBL2001099,7.7
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.6
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.6
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,5.9
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.2
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.4
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,7.7
+CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1979773,6.1
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.8
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,6.3
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.6
+O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL2007124,5.5
+Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1,CHEMBL1995068,7.9
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,6.0
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.3
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,8.5
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,7.2
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.3
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.8
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.1
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.7
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,6.4
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,7.3
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,7.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,6.5
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,6.1
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,9.0
+c1ccc(CSc2nnc(-c3ccncc3)[nH]2)cc1,CHEMBL1968926,5.5
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1,CHEMBL1991577,5.2
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.3
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.5
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.1
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,7.4
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,6.4
+CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cn2)CC1,CHEMBL2003948,7.1
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,5.5
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.5
+Clc1cc2nnc(-c3ccccc3)n2cn1,CHEMBL1998228,4.6
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.6
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.7
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,8.4
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.4
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.7
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,7.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.4
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1,CHEMBL183844,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,7.2
+CCS(=O)(=O)c1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)c(OC)cc3-4)cc2)cc1,CHEMBL1992195,9.1
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,5.3
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.8
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1,CHEMBL243297,8.7
+c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1,CHEMBL1980163,6.3
+CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1,CHEMBL2441277,7.2
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4cccnc4s3)n2)CC1,CHEMBL2441276,7.0
+COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1,CHEMBL2441275,6.5
+N#Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441274,7.1
+CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441273,6.4
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccc(C(F)(F)F)cc4s3)n2)CC1,CHEMBL2441272,6.6
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccc(Cl)cc4s3)n2)CC1,CHEMBL2441271,6.6
+Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441270,6.5
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccccc4s3)n2)CC1,CHEMBL2441269,6.4
+Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C,CHEMBL2441268,4.7
+Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1,CHEMBL2441267,9.3
+COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441112,6.3
+COc1ccc2nc(Nc3cc(C(F)(F)c4ccc(F)cc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441286,5.6
+NC(=O)[C@@H]1CCCN1c1nc(Nc2ncc(Cc3ccccc3)s2)cc(C(F)(F)c2ccc(F)cc2)n1,CHEMBL2441284,5.5
+O[C@H]1CC[C@H](Nc2nc(Nc3ncc(Cc4ccccc4)s3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441283,8.3
+O[C@H]1CC[C@H](Nc2nc(Nc3ccc(Oc4ccc(F)cc4)cn3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441282,5.3
+O[C@H]1CC[C@H](Nc2nc(Nc3cc4ccccc4cn3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441281,7.1
+O[C@H]1CC[C@H](Nc2nc(Nc3[nH]nc4ccccc34)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441280,6.2
+CS(=O)(=O)N1CCOC(CNc2nc(Cc3ccccc3)cc(Nc3cc(-c4ccco4)n[nH]3)n2)C1,CHEMBL2441279,6.5
+NC(=O)C1CCN1c1nc(Cc2ccccc2)cc(Nc2cc(C3CCC3)n[nH]2)n1,CHEMBL2441278,7.1
diff --git a/chembl_200/CHEMBL219.csv b/chembl_200/CHEMBL219.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1abd1594bb8b8a78cdf65b11526ca580e55a70da
--- /dev/null
+++ b/chembl_200/CHEMBL219.csv
@@ -0,0 +1,1953 @@
+Oc1ccc2c(c1)CCN2,CHEMBL19331,6.3
+OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2303762,5.92
+COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28607,8.89
+c1ccc2c(c1)CCN(Cc1cc3cccnc3[nH]1)C2,CHEMBL156896,7.23
+c1ccc(CCC2CCN(Cc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL156732,8.7
+COc1ccc(N2CCN(CCc3c[nH]c4ncccc34)CC2)cc1,CHEMBL347291,7.59
+C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112913,8.19
+Clc1ccc(N2CCN(CCc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL347155,7.93
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,9.28
+c1ccc2c(c1)CCN(Cc1c[nH]c3ncccc13)C2,CHEMBL154286,8.15
+C1=C(/C=C/c2ccccc2)CCN(CCc2cc3cccnc3[nH]2)C1,CHEMBL154482,7.52
+C1=C(c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112912,7.47
+c1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL155207,8.74
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL287198,7.19
+OC(COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL32402,8.44
+COc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1,CHEMBL31269,7.13
+O=[N+]([O-])c1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL29098,7.23
+c1ccc(CC2CCN(CCCOc3cccc4ccccc34)CC2)cc1,CHEMBL417858,7.3
+OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(F)cc2)CC1,CHEMBL28605,7.49
+OC(COc1cccc2ccccc12)CN1CCC(Sc2ccccc2)CC1,CHEMBL29087,7.49
+OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1,CHEMBL28953,7.35
+Cc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1,CHEMBL28458,7.28
+O[C@@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL31991,8.7
+O[C@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL282323,7.94
+OC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,CHEMBL418758,7.59
+OC(COc1cccc2ccccc12)CN1CCC(Oc2ccccc2)CC1,CHEMBL286177,7.74
+OC(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1,CHEMBL284892,7.47
+COc1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL29179,6.91
+OC(COc1ccc(Cl)cc1)CN1CCC(Cc2ccccc2)CC1,CHEMBL29206,7.74
+CC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,CHEMBL28596,7.14
+COC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,CHEMBL28355,7.35
+Oc1ccc(OCCNCc2ccccc2)cc1,CHEMBL100461,6.56
+Oc1ccccc1OCCNCc1ccccc1,CHEMBL101285,6.53
+CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1,CHEMBL99849,6.3
+Oc1cccc(OCCNCc2ccccc2)c1,CHEMBL64508,7.09
+CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl,CHEMBL102490,6.86
+c1ccc(CNCCOc2ccccc2)cc1,CHEMBL103951,7.03
+Nc1cc(OCCNCc2ccccc2)ccc1Cl,CHEMBL319816,7.57
+C1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1,CHEMBL70267,7.01
+Clc1ccccc1CN1CC=C(c2nc3ccccc3s2)CC1,CHEMBL67982,7.06
+C1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1,CHEMBL71173,7.03
+Clc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1,CHEMBL305481,7.17
+Clc1ccc2sc(C3=CCN(Cc4ccccc4)CC3)nc2c1,CHEMBL71209,7.36
+Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4s3)CC2)cc1,CHEMBL70215,7.68
+Clc1ccc(CN2CC=C(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1,CHEMBL71216,8.0
+Clc1cccc(CN2CC=C(c3nc4ccccc4s3)CC2)c1,CHEMBL307869,8.09
+Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1,CHEMBL71208,8.08
+Clc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1,CHEMBL71324,7.59
+C1=C(c2nc3ccccc3s2)CCN(Cc2ccccc2)C1,CHEMBL69355,8.3
+Clc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1,CHEMBL69356,7.77
+Clc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1,CHEMBL306265,8.89
+c1ccc(OC[C@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL165504,8.58
+Fc1ccc(OC[C@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL163009,8.7
+Fc1ccc(OC[C@@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL349699,7.41
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccc4)CCN3C2)cc1,CHEMBL351611,8.8
+CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL349904,7.7
+CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL161899,6.5
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccn4)CCN3C2)cc1,CHEMBL350160,8.77
+c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL166269,8.46
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL66227,8.47
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL159903,8.55
+Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1,CHEMBL162873,6.97
+COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL165113,6.9
+c1ccc(OCC2CCC3CN(c4ncccn4)CCN3C2)cc1,CHEMBL162265,8.42
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(Cl)cn4)CCN3C2)cc1,CHEMBL161982,8.49
+Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CCN3C2)cc1,CHEMBL166321,8.28
+COc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,CHEMBL351098,7.74
+CC1NCCc2cc(O)c(O)cc21,CHEMBL416732,5.19
+CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1,CHEMBL19844,6.46
+CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,CHEMBL1255588,6.73
+Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1,CHEMBL19344,5.51
+Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O,CHEMBL19068,5.6
+CN(CCCCN1CCN(c2ncccn2)CC1)C1=Nc2ccccc2OC1,CHEMBL80411,6.25
+c1ccc(N2CCN(CCCCCNC3=Nc4ccccc4OC3)CC2)cc1,CHEMBL541826,7.28
+c1ccc2c(c1)N=C(NCCCCCN1CCN(c3ccc4ccccc4n3)CC1)CO2,CHEMBL544296,6.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,CHEMBL71960,7.3
+CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL278751,7.32
+CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL161811,6.92
+CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL349843,6.21
+CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL27441,6.93
+CCCN[C@@H]1CCc2c(C(=O)OC)cccc2[C@@H]1C,CHEMBL161507,5.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,CHEMBL294747,7.2
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,7.8
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,7.402
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,7.41
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,7.82
+CCCN1CCC[C@@H](c2cccc(O)c2)C1,CHEMBL7549,7.8
+CCCN1CCc2nn3ccccc3c2C1,CHEMBL80845,7.06
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(Cl)cccc21,CHEMBL106598,6.0
+COc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL319650,5.19
+CC1CCc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106897,7.02
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOc2ccccc21,CHEMBL104196,6.37
+CC(C)CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104713,6.21
+Cc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106998,7.43
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21,CHEMBL323537,7.33
+Cc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL321058,6.34
+Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,CHEMBL105595,6.11
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2[C@H]2CCCC[C@H]21,CHEMBL323213,6.14
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(F)cccc21,CHEMBL104432,6.84
+CC1(C)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL317879,8.37
+CC1CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL320067,7.02
+CCC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107793,8.22
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(Cl)cc21,CHEMBL318739,6.15
+CSc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL318760,6.63
+CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106917,6.63
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21,CHEMBL104251,5.47
+Cc1cccc2c1N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,CHEMBL107229,7.32
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCCC2,CHEMBL107962,5.81
+CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107391,7.43
+CC(C)C1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL321871,6.26
+CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL104160,7.3
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1C,CHEMBL106742,8.4
+C[C@H]1c2ccccc2N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C,CHEMBL319927,6.69
+Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)CC2C,CHEMBL107338,7.09
+C[C@@H]1c2ccccc2N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]1C,CHEMBL326670,8.15
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCC2,CHEMBL441274,7.44
+CC1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C,CHEMBL107384,6.97
+CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL326250,7.51
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,CHEMBL69584,8.8
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(F)cc21,CHEMBL317266,7.29
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCC2CCCCC21,CHEMBL107755,6.14
+Cc1c(-c2ccc(F)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL92189,8.77
+O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91621,6.41
+O=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91272,6.82
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL93832,9.34
+O=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL327339,5.57
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1,CHEMBL91229,9.25
+Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O,CHEMBL91669,9.08
+Cc1c(-c2cccc(Cl)c2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94283,8.28
+Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL328739,9.12
+Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1,CHEMBL444309,8.46
+Cc1c(-c2ccccn2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91553,8.35
+Cc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1,CHEMBL92859,9.48
+COc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1,CHEMBL91155,9.19
+Cc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL91821,7.15
+CCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91498,9.07
+O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL327310,7.47
+Cc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL90005,9.0
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1,CHEMBL316125,8.7
+Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94023,9.15
+COc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL450021,7.92
+O=C(Nc1nccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL328667,8.26
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2Cl)CC1,CHEMBL93970,8.68
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91162,9.22
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(C#N)c2)CC1,CHEMBL431095,9.02
+Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL93432,8.35
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1,CHEMBL327176,8.26
+O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1,CHEMBL93958,7.74
+Cc1c(-c2ccccc2Cl)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL89971,8.96
+Cc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL263162,8.96
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL93969,8.89
+Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1,CHEMBL1202208,7.89
+COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL91693,7.06
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CCCC2CCC3)C1,CHEMBL94050,8.42
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1,CHEMBL96369,8.68
+COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL330318,8.72
+C=CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL92192,8.89
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL315446,8.28
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCNC1,CHEMBL96792,5.66
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CC4CC(C3)CC2C4)C1,CHEMBL92924,8.36
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1,CHEMBL91859,8.47
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL92030,7.7
+COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL93021,8.52
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL328866,8.68
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL316317,8.15
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL319079,8.25
+COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL95096,6.96
+CNc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl,CHEMBL319597,9.17
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL327984,9.26
+CCC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL93198,8.82
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCCC2)C1,CHEMBL92199,8.57
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1,CHEMBL96703,8.48
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL329106,8.96
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL94200,7.74
+Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL131484,8.25
+Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl,CHEMBL131997,9.28
+COc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128276,8.27
+Clc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,CHEMBL128222,7.42
+c1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL129931,8.48
+Cc1ccccc1OCCNCCCOc1ccccc1,CHEMBL128313,7.13
+Cc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128647,9.28
+Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL129757,9.08
+Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,CHEMBL341225,7.57
+Cc1ccc(SCCNCCCOc2ccccc2)cc1,CHEMBL128281,7.52
+Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1,CHEMBL131357,9.02
+Clc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132884,9.28
+Cc1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL131299,8.57
+Clc1cccc(OCCNCCCOc2ccccc2)c1,CHEMBL129534,9.51
+Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1,CHEMBL130370,7.96
+Clc1ccc(SCCNCCCOc2ccccc2)cc1,CHEMBL130347,7.48
+Cc1ccc(OCCNCCCOc2ccccc2)cc1C,CHEMBL129927,9.46
+Cc1cccc(OCCNCCCOc2ccccc2)c1,CHEMBL128232,9.34
+Cc1ccc(OCCNCCCOc2ccccc2C)cc1,CHEMBL334545,8.96
+O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132455,8.36
+Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1,CHEMBL435598,8.92
+Oc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL22892,8.51
+Cc1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL334989,8.33
+Clc1ccccc1OCCNCCCOc1ccccc1,CHEMBL131396,8.36
+Clc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL337627,8.85
+c1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL128524,8.7
+Cc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL130402,9.1
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,5.8
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1,CHEMBL108531,6.64
+Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,CHEMBL431367,7.62
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1,CHEMBL109063,6.56
+C(#Cc1cccnc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL108463,6.17
+C(#Cc1ccncc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL110489,6.24
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1,CHEMBL109101,6.43
+Oc1ccc2c(c1)O[C@@H](CN1CCc3ccccc3C1)CC2,CHEMBL135044,6.28
+Oc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2,CHEMBL135357,8.06
+Oc1cc2c(cc1Cl)CC[C@@H](CNCc1ccccc1)O2,CHEMBL134343,7.14
+Oc1ccc2c(c1)OC(CNCc1ccccc1)CC2,CHEMBL135395,6.72
+Oc1ccc2c(c1)O[C@H](CNCc1ccccc1)CC2,CHEMBL138016,6.59
+Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2,CHEMBL135725,6.53
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2,CHEMBL423890,7.78
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL309118,5.4
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL322179,5.86
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL108527,6.49
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,CHEMBL267562,6.46
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL301242,5.803
+CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL310310,6.0
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL108637,6.17
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL67750,6.46
+Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1,CHEMBL323997,6.06
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL307800,6.41
+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL306672,6.98
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL69717,6.43
+O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,CHEMBL302796,5.66
+CN1C2CCC1CC(OC1c3ccccc3Cc3ccccc31)C2,CHEMBL320114,6.27
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,7.17
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL68860,5.94
+Clc1cccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)c1,CHEMBL106660,6.65
+O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL68720,6.28
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL110349,6.1
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,CHEMBL12004,6.92
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1,CHEMBL109299,6.76
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12375,6.19
+CN1CCN(Cc2cnn3ccccc23)CC1,CHEMBL7505,5.14
+Ic1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7508,8.52
+Clc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)c1,CHEMBL269202,8.4
+O=C(c1cnn2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL7441,4.64
+Clc1ccc(N2CCN(Cc3cnn4ccc5ccccc5c34)CC2)cc1,CHEMBL268558,5.74
+Clc1ccc(N2CCN(Cc3cnc4ccccn34)CC2)cc1,CHEMBL7686,7.89
+Clc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL7506,8.52
+c1ccn2ncc(CN3CCN(C4CCCCC4)CC3)c2c1,CHEMBL268190,5.35
+Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL268799,8.88
+Clc1ccc(N2CCN(Cc3cnn4c3ccc3ccccc34)CC2)cc1,CHEMBL269576,6.85
+Clc1ccc(N2CCN(Cc3cnn4c3CCCC4)CC2)cc1,CHEMBL7442,7.9
+c1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL273860,7.77
+Clc1ccc(N2CCN(Cc3cnc4ncccn34)CC2)cc1,CHEMBL267853,6.54
+Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7927,8.526
+N#Cc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL49876,8.31
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,CHEMBL45244,7.985
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL298166,7.647
+N#Cc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,CHEMBL423659,7.587000000000001
+COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1,CHEMBL51023,8.23
+COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1,CHEMBL296506,8.077
+O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,CHEMBL296953,8.213
+COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,CHEMBL48819,7.82
+O=C(NCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,CHEMBL295094,7.39
+COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,CHEMBL48807,7.61
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL139600,7.17
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,7.06
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL140968,7.11
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1,CHEMBL141419,7.46
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,CHEMBL342060,7.17
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[te]1,CHEMBL337531,6.82
+COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL357684,7.39
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,CHEMBL336930,7.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL423735,7.36
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,CHEMBL344677,8.05
+COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL139722,7.52
+COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1,CHEMBL141845,9.17
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,7.52
+COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC,CHEMBL305366,7.32
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,6.1
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL64176,6.58
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL61789,6.03
+Oc1cc2c(cc1Cl)CCC(CNCc1ccccc1)O2,CHEMBL337228,8.31
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,6.75
+Cc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1,CHEMBL279247,9.41
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,6.5
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,8.4
+Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160932,8.64
+Cc1nn2c(-c3ccc(F)cc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160749,7.06
+Clc1ccc(N2CCN(Cc3cnn4c(N5CCN(Cc6ccccc6)CC5)cccc34)CC2)cc1,CHEMBL160266,6.74
+N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160626,8.82
+OCc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL160396,6.96
+OCc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn2c1,CHEMBL345357,7.705
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160952,8.915
+Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL423247,8.57
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(C)nn12,CHEMBL156851,8.82
+Cc1nn2c(N3CCN(Cc4ccccc4)CC3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160536,7.59
+Clc1ccc(N2CCN(Cc3cnn4c(-c5ccccc5)cccc34)CC2)cc1,CHEMBL155913,8.12
+C[Si](C)(C)c1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160454,8.55
+Cc1nn2c(-c3ccccc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL351550,7.43
+O=Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL346805,8.59
+Cc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL156369,7.3
+Fc1ccc(-c2cccc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cnn23)cc1,CHEMBL156198,7.54
+c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1,CHEMBL440687,6.78
+COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,CHEMBL77969,7.69
+Fc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,CHEMBL77850,7.1
+c1cncc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,CHEMBL76653,6.42
+Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1,CHEMBL77563,8.07
+c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,CHEMBL77708,7.28
+COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1,CHEMBL309372,8.37
+Clc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,CHEMBL76982,7.83
+Clc1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,CHEMBL77151,8.02
+Clc1ccccc1N1CCN(Cc2nc3ncccc3[nH]2)CC1,CHEMBL80469,6.14
+COc1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,CHEMBL306711,7.58
+Clc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1,CHEMBL310843,8.568999999999999
+CC1Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,CHEMBL349833,8.05
+CC1(C)Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,CHEMBL439646,7.72
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(CC5)C3=O)CC2)cc1,CHEMBL351963,8.4
+CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21,CHEMBL67414,5.82
+O=C1C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2cccc3c2N1CC3,CHEMBL352207,8.41
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)(C)C5)CC2)cc1,CHEMBL351989,7.92
+COc1cc(C)ccc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL159742,7.47
+COc1ccc(Cl)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL354699,7.54
+CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,CHEMBL68191,8.4
+Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)C5)CC2)cc1,CHEMBL345438,8.0
+COc1ccc(C)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,CHEMBL351612,7.19
+Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL60518,9.29
+c1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59103,7.6
+c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59324,8.1
+CC1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL57478,6.24
+Cc1sc(C)c2c1CC(C)(C)Cc1c[nH]nc1-2,CHEMBL99654,5.89
+Cn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL98946,7.85
+CCn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL98945,6.77
+Cc1sc(C)c2c1CCCc1nncn1-2,CHEMBL98331,5.36
+Cc1sc(C)c2c1CCc1cnn(C)c1-2,CHEMBL98830,7.59
+Cc1sc(C)c2c1CCCc1cnn(C)c1-2,CHEMBL316727,8.7
+Cc1sc(C)c2c1CCCc1c[nH]nc1-2,CHEMBL432579,7.92
+Cc1sc(C)c2c1SCc1cnn(C)c1-2,CHEMBL100203,8.52
+Cc1sc(C)c2c1CCc1cn(C)nc1-2,CHEMBL98578,5.54
+Cc1ccc(C)c2c1CCCc1c[nH]nc1-2,CHEMBL317988,6.37
+Cc1sc(C)c2c1CCCc1cnn(-c3ccccc3)c1-2,CHEMBL316942,5.8
+Cc1oc(C)c2c1CCCc1cnn(C)c1-2,CHEMBL433376,7.96
+Cc1oc(C)c2c1CCCc1c[nH]nc1-2,CHEMBL329503,6.56
+Cc1sc(C)c2c1CCCc1c-2n[nH]c1CN(C)C,CHEMBL318415,5.59
+CCCn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL99085,5.45
+Cc1sc(C)c2c1CCCc1cnn(C(C)C)c1-2,CHEMBL99649,6.86
+Cc1sc(C)c2c1CCCc1ncn(C)c1-2,CHEMBL102162,5.89
+Cc1sc(C)c2c1CCCc1nccn1-2,CHEMBL99054,6.52
+Cc1sc(C)c2c1CCc1c[nH]nc1-2,CHEMBL329276,6.77
+Cn1cc2c(n1)-c1ccccc1CCC2,CHEMBL98330,6.29
+CC(C)n1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,CHEMBL317825,5.81
+Cc1sc(C)c2c1CCCc1nnc(C)n1-2,CHEMBL317051,6.34
+CCn1ncc2c1-c1c(C)sc(C)c1CCC2,CHEMBL99208,7.66
+Clc1sc(Cl)c2c1CCCc1c[nH]nc1-2,CHEMBL317770,6.77
+CCCn1ncc2c1-c1c(C)sc(C)c1CCC2,CHEMBL318949,7.01
+Cc1sc(C)c2c1CCCc1cn(C)nc1-2,CHEMBL317078,6.64
+COc1cccc(C(=O)NCCN2CCN(c3ccccn3)CC2)c1,CHEMBL147483,9.2
+COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL357448,8.74
+COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc34)CC2)c1,CHEMBL152587,6.77
+COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152159,8.51
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL152756,8.64
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,CHEMBL152304,6.22
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152391,8.05
+COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cn3)CC2)c1,CHEMBL345111,8.4
+COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL345848,9.68
+COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92713,8.27
+COc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1,CHEMBL156845,10.6
+COc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL347290,6.46
+COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL315879,7.6
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL94265,6.62
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152869,7.26
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1,CHEMBL157388,9.59
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL157322,10.4
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL154508,6.43
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1,CHEMBL157222,8.66
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,6.14
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL286725,8.925
+COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL93403,10.4
+COc1ccc(N2CCN(CCNC(=O)c3cccc(OC)c3)CC2)cc1,CHEMBL152679,7.65
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1,CHEMBL433741,7.2
+COc1cccc(C(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL423040,8.12
+COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152576,8.14
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.14
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL156599,10.74
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL305362,6.55
+COc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1,CHEMBL154050,7.96
+COc1cccc(C(=O)NCCN2CCN(c3cc(C)ccn3)CC2)c1,CHEMBL2112905,7.62
+c1ccc(-c2ncc(CN3CCN(c4cccnc4)CC3)[nH]2)cc1,CHEMBL321513,7.14
+c1ccc(-c2ncc(CN3CCN(c4ccncn4)CC3)[nH]2)cc1,CHEMBL102599,5.85
+c1ccc(-c2ncc(CN3CCN(c4cnccn4)CC3)[nH]2)cc1,CHEMBL440511,7.3
+c1ccc(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)cc1,CHEMBL103772,8.43
+c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1,CHEMBL99967,8.07
+Cc1nc(-c2ccccc2)[nH]c1CN1CCN(c2ncccn2)CC1,CHEMBL415014,8.22
+c1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1,CHEMBL103871,8.36
+COc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1,CHEMBL37706,7.43
+Cc1ccc(C2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL37604,8.03
+Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL35093,7.38
+OCc1ccc(N2CCN(CC[C@H](O)c3ccc(Cl)cc3)CC2)cc1Cl,CHEMBL37885,8.07
+O=C1NC(CCN2CCN(c3ccc4ccccc4c3)CC2)c2ccccc21,CHEMBL37169,8.0
+COc1ccc(N2CCN(CCC3c4ccccc4C(=O)N3C)CC2)cc1,CHEMBL35114,6.48
+O=C1NC(CCN2CCN(c3ccccc3)CC2)c2ccccc21,CHEMBL34239,7.61
+Cc1nc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)sc1C,CHEMBL38349,7.68
+Cc1ccc(N2CCN(CCC3c4ccccc4C(=O)N3C)CC2)cc1C,CHEMBL35182,7.45
+Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL37170,8.11
+Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL38262,8.06
+Cc1ccnc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)c1,CHEMBL37638,7.65
+CN1C(=O)c2ccccc2C1CCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL36337,7.1
+Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1,CHEMBL287078,7.91
+OCc1ccc(N2CCN(CCC(O)c3ccc(Cl)cc3)CC2)cc1Cl,CHEMBL36313,7.96
+O=C(CCN1CCN(c2ccc(CO)c(Cl)c2)CC1)c1ccc(Cl)cc1,CHEMBL285543,7.22
+OCc1ccc(N2CCN(CC[C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl,CHEMBL38046,7.09
+O=C1NC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL290351,7.56
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL320597,8.7
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,8.46
+Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1,CHEMBL6416,8.26
+c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL357182,8.72
+Clc1ccccc1CCN1CCN(c2[nH]nc3c2CCc2ccccc2-3)CC1,CHEMBL422314,8.37
+NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1,CHEMBL69759,8.17
+O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL83894,8.54
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1,CHEMBL61080,7.21
+O=c1ccc2ccc(NCCNc3ccccc3)cc2o1,CHEMBL148561,8.24
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1,CHEMBL28321,8.977
+c1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1,CHEMBL343657,8.4
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,CHEMBL22242,5.41
+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccn(-c3ccccc3)c2)CC1,CHEMBL446892,6.31
+c1ccc(C2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1,CHEMBL144835,8.05
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(-c3ccccc3)c2)CC1,CHEMBL146557,6.19
+C1=C(c2ccccc2)CCN(Cc2ccn(-c3ccccc3)c2)C1,CHEMBL147731,8.4
+c1ccc(-n2ccc(CN3CCN(c4ccccn4)CC3)c2)cc1,CHEMBL343466,8.8
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccn(-c3ccccc3)c1)CC2,CHEMBL356542,6.7
+OC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1,CHEMBL147003,6.49
+Cc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL558036,6.17
+Fc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL554016,7.24
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1,CHEMBL544925,5.95
+C(=C/c1cc(CCCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543277,6.46
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)c(OC)c1,CHEMBL543278,7.47
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)cc1OC,CHEMBL541025,6.59
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL544689,6.7
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL541270,7.3
+c1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL541524,5.65
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c1,CHEMBL538977,5.77
+COc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL539744,7.06
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4F)CC3)on2)cc1OC,CHEMBL554897,6.63
+c1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL538474,6.27
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL542809,7.47
+c1ccc(C(c2ccccc2)N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL543040,5.67
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c1,CHEMBL553810,5.64
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1,CHEMBL538723,7.55
+c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL542324,6.93
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccc(F)cc3)no2)CC1,CHEMBL544220,7.48
+Cc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL544451,6.33
+C(=C/c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543041,6.22
+Fc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL539235,7.02
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c(OC)c1,CHEMBL542573,7.12
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL557829,7.92
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL542325,7.68
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL537975,7.29
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1OC,CHEMBL557409,6.11
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4C)CC3)on2)cc1OC,CHEMBL541791,6.38
+Fc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL539999,5.87
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC,CHEMBL542571,5.61
+CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL303692,7.23
+CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21,CHEMBL63209,5.61
+CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,CHEMBL305276,8.4
+CCN1C(=O)C(CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL304584,5.15
+O=C1Nc2ccccc2CC1N1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL67222,7.0
+Cc1ccc(CN2CCN(C3CCc4ccccc4N(C)C3=O)CC2)cc1,CHEMBL305061,5.36
+CCN1C(=O)C(N2CCN(Cc3ccc(C)cc3)CC2)CCc2ccccc21,CHEMBL302340,5.53
+COc1ccc(Br)cc1-c1ncc(CNC[C@@H]2CCN(Cc3ccccc3)C2)[nH]1,CHEMBL64566,5.95
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,CHEMBL64376,6.35
+c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL64043,6.23
+CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL267044,5.68
+c1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL302186,7.28
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111525,7.7
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1,CHEMBL294780,6.6
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)co1,CHEMBL293225,6.41
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL62602,7.96
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)cs1,CHEMBL2111528,6.82
+COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64668,6.19
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL64288,6.43
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1,CHEMBL64696,6.15
+COc1ccc(Br)cc1-c1nc(CNCC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL65641,6.77
+Oc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL62996,6.24
+COc1ccc(Br)cc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64752,7.41
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1,CHEMBL62624,6.4
+COc1c(-c2nc(CNC[C@@H]3CCN(Cc4ccccc4)C3)co2)cc(Br)c2ccccc12,CHEMBL62601,4.81
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1,CHEMBL64325,6.23
+c1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL59702,6.46
+COc1ccc(Br)cc1-c1nc(CNCCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111527,6.82
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cs1,CHEMBL64139,6.77
+c1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL62703,5.84
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)cs1,CHEMBL293645,6.43
+c1ccc(CN2CC[C@@H](CNCc3csc(-c4ccccc4)n3)C2)cc1,CHEMBL59749,6.41
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111526,6.29
+Oc1ccc2c(c1)OC(CN1CCc3ccccc3C1)CC2,CHEMBL134808,6.4
+CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL104801,8.31
+CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL105181,8.15
+COc1cc(Cl)cc(OCC2CN(Cc3ccccc3)CCO2)c1,CHEMBL105690,6.04
+COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1,CHEMBL104035,8.7
+CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL107691,8.03
+COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL108122,8.36
+CCOc1ccccc1OCC1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1,CHEMBL104079,7.46
+Cc1ncccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL322175,7.08
+COc1ccc(N)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL105661,7.0
+COc1ccccc1OCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1,CHEMBL107019,7.21
+CC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104476,7.34
+COc1cccc(OCC2CN(Cc3ccc(Cl)cc3)CCO2)c1OC,CHEMBL104844,6.0
+Oc1cc(Cl)ccc1NCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104041,8.27
+CCOc1ccccc1OCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL108211,6.74
+COc1ccc(Cl)cc1OCC1CN(Cc2ccccc2)CCO1,CHEMBL322519,7.15
+COc1cc(Cl)ccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104550,8.55
+CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL105696,8.54
+CCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL105686,7.62
+CCCc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL105234,7.49
+COc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104485,7.49
+CCOc1cc(C#N)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104216,7.4
+COc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL430658,6.4
+COc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104873,7.64
+COc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1,CHEMBL104291,6.37
+COCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL321701,7.28
+COc1ccc(F)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104089,7.52
+CC(=O)c1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,CHEMBL107068,8.26
+COc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL325789,8.35
+COc1ccccc1/C=C/C1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL320071,6.7
+CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL106599,7.89
+CCCNC(=O)c1cc(C)c(OCC2CN(Cc3ccc(Cl)cc3)CCO2)cc1Cl,CHEMBL2112466,6.82
+COc1ccccc1CCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL106665,7.54
+COc1ccccc1OCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1,CHEMBL104431,7.49
+CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL421403,7.89
+CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2Cl)CCO1,CHEMBL105894,6.54
+COc1ccc(C(F)(F)F)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL105836,6.6
+COc1ccccc1OCC1CN(Cc2cccc(Cl)c2)CCO1,CHEMBL105312,6.19
+COc1cc(Cl)ccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104099,5.8
+Clc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1,CHEMBL104307,7.4
+COc1ccccc1SCC1CN(Cc2ccc(Cl)cc2)CCO1,CHEMBL104378,7.21
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,8.138
+c1ccc(C2=NCC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL352925,8.82
+Cc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148694,6.88
+Cc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL358657,7.34
+Clc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL146856,6.96
+Cc1ccc2c(c1)C(N1CCCN(C)CC1)=Nc1cccnc1N2,CHEMBL356171,6.45
+CN1CCCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL148042,6.79
+Cc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL422310,7.43
+Cc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL148965,6.74
+Clc1ccc2c(c1)C(NCCN1CCCC1)=Nc1cccnc1N2,CHEMBL146410,6.47
+Cc1ccc2c(c1)C(NC1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL347959,6.29
+Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL436274,7.4
+Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL63329,7.44
+Clc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,CHEMBL148559,7.32
+CN1CCC(NC2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL356149,6.41
+Clc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148353,6.94
+Clc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL342536,7.05
+CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL63576,7.62
+Cc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,CHEMBL148752,7.08
+COc1ccc(Br)cc1C1=NCC[C@@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL353220,5.46
+O=C1C[C@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168571,6.34
+c1ccc(C2=NCC[C@@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL169562,6.92
+O=C1C[C@@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168541,5.43
+c1ccc(C2=NCC[C@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL354748,5.36
+COc1ccc(Br)cc1C1=NCC[C@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL169889,5.8
+c1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL423499,7.14
+COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1,CHEMBL148024,8.52
+CCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL283353,8.1
+C[C@@H]1OC(c2ccccc2)=N[C@H]1CN1CCN(c2ccccc2)CC1,CHEMBL83306,6.255
+c1ccc(C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CS2)cc1,CHEMBL82527,5.83
+c1ccc(C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CO2)cc1,CHEMBL86060,6.43
+c1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL169459,6.51
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@H]21,CHEMBL98305,7.75
+CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21,CHEMBL70565,6.77
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21,CHEMBL98836,6.71
+CCCN1CCOC2c3cc(O)ccc3SCC21,CHEMBL330216,7.35
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,7.04
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,6.8
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,7.33
+COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL69385,5.98
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,8.62
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.15
+Clc1ccc(-c2cc(C3CCCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL80833,6.39
+CC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1,CHEMBL80207,7.33
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL309901,8.8
+O=C(C=C(O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,CHEMBL2112285,7.92
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(CCc2ccccc2)CC1,CHEMBL61079,8.92
+Cc1c(-c2ccccc2)n[nH]c1C1=CCN(CCc2ccccc2)CC1,CHEMBL80318,8.51
+Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL78923,9.0
+c1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1,CHEMBL79098,7.28
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1,CHEMBL61195,8.44
+CCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL78933,8.82
+Clc1ccc(-c2cc(C3CCN(CC4CCCCC4)CC3)[nH]n2)cc1,CHEMBL420954,7.89
+c1ccc(CCN2CCC3(CCc4c(-c5ccccc5)n[nH]c43)CC2)cc1,CHEMBL311832,6.03
+Cc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1,CHEMBL80722,8.33
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1,CHEMBL58296,7.36
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1,CHEMBL76090,8.04
+CN1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL80552,5.92
+Cc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1,CHEMBL77015,6.33
+c1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1,CHEMBL310819,7.66
+CC1(C(O)=CC(=O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,CHEMBL2112284,6.46
+Clc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1,CHEMBL77017,6.96
+Clc1ccc(-c2cc(C3CCCCN3Cc3ccccc3)[nH]n2)cc1,CHEMBL80863,5.32
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL76355,6.96
+Clc1ccc(-c2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]n2)cc1,CHEMBL78287,7.22
+c1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1,CHEMBL77744,8.0
+c1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1,CHEMBL77743,7.72
+c1ccc(CCN2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1,CHEMBL310985,7.64
+Cc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1,CHEMBL293341,8.6
+c1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1,CHEMBL25938,7.96
+c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1,CHEMBL77148,6.8
+c1ccc(CCN2CCC(c3cc(-c4cccnc4)n[nH]3)CC2)cc1,CHEMBL309460,7.64
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1,CHEMBL312255,7.7
+CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1,CHEMBL325710,6.57
+COc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1,CHEMBL292186,7.5
+O=C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,CHEMBL299479,7.6
+COc1cc2ccccc2cc1COCC1CCN(Cc2ccccc2)CC1,CHEMBL57407,7.5
+COc1cc2ccccc2cc1C(=O)NCC1CCN(Cc2ccccc2)CC1,CHEMBL61248,7.7
+COc1cc2ccccc2cc1OCCC1CCN(Cc2ccccc2)CC1,CHEMBL59075,7.6
+COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1,CHEMBL59326,8.3
+COc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1,CHEMBL61090,6.7
+COc1cc2ccccc2cc1OC(=O)CC1CCN(Cc2ccccc2)CC1,CHEMBL433255,8.2
+COc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1,CHEMBL60708,8.4
+COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1,CHEMBL57019,7.7
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,5.91
+CN1CCN(c2nc3ccccc3c(Cl)c2Sc2ccccc2)CC1,CHEMBL15242,7.04
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1,CHEMBL15270,8.64
+O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL274047,8.14
+Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(N2CCN(C)CC2)n1,CHEMBL14998,6.59
+CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1,CHEMBL14899,6.6
+NC(=O)C1CCC(CN2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)O1,CHEMBL282927,6.8
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.74
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,7.14
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,7.25
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,7.44
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)C1,CHEMBL428705,8.68
+CCCN(CCC)C1CCc2ccc(O)cc2C1,CHEMBL285755,6.83
+CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C,CHEMBL433002,7.26
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,8.222999999999999
+CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL131482,6.93
+CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL89934,8.3
+C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1,CHEMBL335545,7.04
+Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccc(O)cc4)C3)CC2)cc1,CHEMBL147159,7.17
+Oc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1,CHEMBL357416,7.21
+CCCNC1CCc2c(cccc2OC)C1,CHEMBL135152,6.31
+CCCN(CCC)C1CCc2c(cccc2OC)C1,CHEMBL11615,6.2
+CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL336295,7.64
+CCCN(CCc1cccs1)C1CCc2c(cccc2OC2CCCC2)C1,CHEMBL132261,6.49
+CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1,CHEMBL134747,7.27
+CCNC1CCc2c(cccc2OC)C1,CHEMBL134759,5.82
+CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1,CHEMBL7806,7.14
+CCCN(CCC)[C@H]1CCc2ccc(OC)cc2C1,CHEMBL135944,6.47
+CCCN(C)C1CCc2ccc(O)cc2C1,CHEMBL335392,7.49
+CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1,CHEMBL135954,7.66
+CCCN(CCC)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL134326,5.82
+CCCNC1CCc2c(O)cccc2C1,CHEMBL334472,7.12
+CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1,CHEMBL109684,7.27
+CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL301559,6.96
+CCCNC1CCc2ccc(O)cc2C1,CHEMBL336652,6.57
+CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1,CHEMBL133938,6.87
+COc1cccc2c1CCC(N(C)C)C2,CHEMBL134866,6.13
+CN(C)C1CCc2ccc(O)cc2C1,CHEMBL135932,6.14
+CCN(C)C1CCc2ccc(O)cc2C1,CHEMBL134571,5.99
+CCN(CC)C1CCc2c(cccc2OC)C1,CHEMBL134701,6.02
+CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1,CHEMBL15146,6.74
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,7.33
+CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,CHEMBL1303,7.26
+CNC1CCc2c(cccc2OC)C1,CHEMBL135048,6.22
+CCCN1COC[C@@H]2c3cc(O)ccc3OC[C@H]21,CHEMBL94015,5.15
+Cc1ccccc1N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1,CHEMBL122531,7.2
+O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1,CHEMBL332154,8.24
+O=c1ccc2ccc(CNCCCNc3ccccc3)cc2o1,CHEMBL122427,7.51
+O=c1ccc2ccc(CN3CCC(c4ccccc4)CC3)cc2o1,CHEMBL333983,7.72
+Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1,CHEMBL122754,8.0
+CCN(CCNCc1ccc2ccc(=O)oc2c1)c1ccccc1,CHEMBL333057,5.57
+Cc1cccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)c1,CHEMBL431479,7.49
+O=c1ccc2ccc(CNCCNc3ccc(Cl)cc3)cc2o1,CHEMBL340669,7.85
+O=c1ccc2ccc(CN3CCN(c4ccccc4)CC3)cc2o1,CHEMBL122140,7.57
+Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1Cl,CHEMBL123031,8.16
+Cc1cccc(N2CCN(Cc3ccc4oc(=O)ccc4c3)CC2)c1,CHEMBL122116,7.13
+O=c1ccc2ccc(CN3CC=C(c4ccccc4)CC3)cc2o1,CHEMBL332001,8.36
+CC(C)(C)c1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,CHEMBL123663,6.64
+CCN(CCNc1ccccc1)Cc1ccc2ccc(=O)oc2c1,CHEMBL331045,6.39
+O=c1ccc2cc(CNCCNc3ccccc3)ccc2o1,CHEMBL444596,6.51
+O=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1,CHEMBL121993,7.52
+Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1C,CHEMBL122862,7.68
+O=c1ccc2ccc(CNCCOc3ccccc3)cc2o1,CHEMBL330966,7.37
+Cc1ccc(N2CCN(Cc3ccc4oc(=O)ccc4c3)CC2)cc1,CHEMBL122049,7.96
+O=c1ccc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2o1,CHEMBL125763,7.03
+Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl,CHEMBL122597,7.8
+COc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,CHEMBL124050,7.12
+Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1C,CHEMBL123030,7.85
+O=c1ccc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2o1,CHEMBL121884,7.23
+O=c1ccc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2o1,CHEMBL121967,5.57
+Cc1ccccc1N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1,CHEMBL333658,7.8
+Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,CHEMBL124835,7.77
+COc1ccccc1OCC1CN(Cc2ccccc2)CCO1,CHEMBL322002,6.07
+COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3cccc(OC)c32)CC1,CHEMBL283211,7.31
+COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26677,8.77
+COc1cccc(C(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26135,7.37
+COc1cc(N)c(Cl)cc1C(=O)NCCN1CCN(c2ccccc2OC)CC1,CHEMBL26758,7.72
+COc1ccccc1N1CCN(CCNC(=O)C2CCCc3c(OC)cccc32)CC1,CHEMBL26426,7.66
+COc1ccccc1N1CCN(CCCC2CCCc3c(OC)cccc32)CC1,CHEMBL26929,7.43
+COc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL28063,7.17
+COc1ccccc1N1CCN(CCCCC2CCCc3c(OC)cccc32)CC1,CHEMBL28209,7.37
+COc1ccccc1N1CCN(Cc2cccc(-c3ccccc3)c2)CC1,CHEMBL285577,8.1
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.01
+Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C,CHEMBL127257,8.82
+Cc1ccc(C)c(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,CHEMBL127290,8.42
+CCCN(CCC)C1CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1,CHEMBL164736,5.72
+CCCN(CCC)C1CCC(=C(C#Cc2ccccc2)C#Cc2ccccc2)CC1,CHEMBL165171,5.85
+CCCN(CCC)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL166325,4.8
+C#CC(C#C)=C1CCC(N(CCC)CCC)CC1,CHEMBL165022,5.41
+Clc1ccc(N2CCN(Cc3cccn4nccc34)CC2)cc1,CHEMBL90374,7.19
+Clc1ccc(N2CCN(Cc3cccc4ccnn34)CC2)cc1,CHEMBL88937,5.89
+Clc1ccc(N2CCN(Cc3ccc4ccnn4c3)CC2)cc1,CHEMBL432059,8.51
+CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL91362,5.17
+OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL328925,5.44
+CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1,CHEMBL310867,7.3
+Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL103900,7.04
+c1ccc(CN2CCN(c3ccccc3)CC2)cc1,CHEMBL101032,6.57
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1,CHEMBL294458,8.24
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL294459,8.41
+N#CC(C#N)=Cc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]1,CHEMBL303538,7.96
+N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccccc2)CC1,CHEMBL440120,6.8
+N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL300553,6.9
+N#CC(C#N)=Cc1ccc(CN2CCN(c3ccccc3)CC2)[nH]1,CHEMBL293956,8.03
+Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1,CHEMBL77395,8.44
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL413343,6.82
+COc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL423440,7.34
+COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL168566,6.85
+COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL167414,6.74
+CNc1cc(OC)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL169222,7.72
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL355566,6.62
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL354180,6.66
+CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168274,6.0
+CCC[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168611,7.34
+COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353090,7.32
+CCC[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL424575,6.7
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353087,6.6
+CNc1cc(OC)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL166587,7.64
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL169193,7.33
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL167032,6.47
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL169631,5.15
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL168372,5.38
+CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168544,6.89
+N#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1,CHEMBL344602,8.05
+N#Cc1ccc2cc(CN3CCN(c4ccccc4Cl)CC3)[nH]c2c1,CHEMBL140258,8.47
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1,CHEMBL344270,7.66
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4Cl)CC3)c2c1,CHEMBL143355,7.77
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,CHEMBL140165,6.96
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1,CHEMBL142217,7.3
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL342001,7.54
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1,CHEMBL143761,9.0
+N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1,CHEMBL141035,8.85
+N#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1,CHEMBL343880,8.44
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2c1,CHEMBL140006,8.12
+N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1,CHEMBL140099,9.28
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,CHEMBL140594,8.68
+O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1,CHEMBL315864,7.84
+O=C1Cc2c(ccc(Cl)c2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL330108,8.06
+O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL314952,8.52
+c1ccc(CN2CCN(c3cccc4[nH]cnc34)CC2)cc1,CHEMBL88837,7.33
+c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1,CHEMBL328051,7.83
+Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12,CHEMBL90476,8.59
+FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,CHEMBL88289,8.54
+Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1,CHEMBL311539,8.77
+C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL325104,6.03
+c1ccc(CN2CCC(n3ccc(-c4cnco4)c3)CC2)cc1,CHEMBL107529,6.89
+C(#Cc1cccn1C1CCN(Cc2ccccc2)CC1)c1ccccc1,CHEMBL104092,5.48
+c1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1,CHEMBL104453,7.2
+O=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL422959,6.02
+c1ccc(CN2CCC(n3cccc3)CC2)cc1,CHEMBL326877,5.96
+O=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL109173,6.7
+C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL108160,5.57
+N#CC(C#N)=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL326864,6.55
+Ic1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL106635,5.82
+N#CC(C#N)=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL104201,6.64
+COc1cccc(C(=O)CCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL327245,8.4
+COc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL96462,7.64
+COc1cccc(C(=O)CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92121,7.68
+COc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,CHEMBL328283,7.34
+COc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL329228,7.38
+COc1ccc2c(c1)C(=O)N(CCN1CCN(c3ccc(Cl)cc3)CC1)CC2,CHEMBL330470,6.85
+COc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL96322,6.55
+COc1cccc2c1CCN(CCN1CCN(c3ccc(Cl)cc3)CC1)C2=O,CHEMBL96799,7.38
+COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL318747,6.69
+COc1cccc(C(=O)N(C)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92411,6.74
+COc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL321557,6.38
+COc1cccc2c1CCCC2NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2112375,7.49
+COc1ccc2c(c1)C(CCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,CHEMBL420067,6.41
+c1ccc(CNCCOc2cccc3nc[nH]c23)cc1,CHEMBL89420,7.29
+FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,CHEMBL86504,8.15
+c1ccc(CNCCOc2cccc3n[nH]cc23)cc1,CHEMBL87137,6.5
+O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL314174,8.2
+c1ccc(CNCCOc2cccc3[nH]ccc23)cc1,CHEMBL64283,6.64
+FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87192,8.51
+S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL327782,8.42
+S=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL89037,7.95
+O=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL329398,7.8
+Cc1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87067,7.21
+O=C1Cc2c(cccc2OCCNCc2ccccc2)N1,CHEMBL59752,8.0
+Clc1ccc(N2CCN(Cc3cnn4c(I)cccc34)CC2)cc1,CHEMBL218787,8.3
+Clc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL404570,6.6
+CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1,CHEMBL20854,7.2
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1,CHEMBL21035,6.5
+CC1(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,CHEMBL20367,8.0
+CCCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20996,7.5
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL277937,6.9
+CCCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20444,7.9
+CC1(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,CHEMBL20655,8.1
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL283142,7.1
+CC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL282008,7.6
+COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,CHEMBL20251,7.8
+CC(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20114,6.9
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Br)cc2)CC1,CHEMBL277669,7.5
+CCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL21011,7.8
+CCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20725,8.1
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL21168,8.3
+CC(C)(C)C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL423287,6.7
+CC(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL21252,5.9
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL21119,7.7
+CC(C)(C)C(=O)NCCCCN1CCN2c3ccc(Cl)cc3CCC2C1,CHEMBL20204,7.2
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1,CHEMBL21059,7.3
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL21205,6.8
+COc1ccc(N2CCN(CCCCNC(=O)C(C)(C)C)CC2)cc1,CHEMBL20819,6.5
+CC(C)(C)C(=O)NCCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL278288,6.9
+CC(C)(C)C(=O)NCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20729,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,CHEMBL21008,7.9
+CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL20493,7.9
+CC1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL269396,6.0
+C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL90654,6.72
+CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL91350,6.49
+C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL89719,6.4
+CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL7430,5.57
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,6.38
+C=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL327713,6.48
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,6.92
+CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL90882,9.27
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,7.33
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,7.64
+CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL432762,7.92
+CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL88464,9.05
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,6.03
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,5.54
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,5.57
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,9.0
+CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL89970,8.7
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,6.52
+COc1ccc(OC)c(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)c1,CHEMBL319043,7.54
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL322222,8.52
+COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL107631,8.3
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL108282,8.22
+C=C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL431640,8.3
+CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,CHEMBL321121,8.52
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2F)CC1,CHEMBL110712,7.57
+CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL108011,8.0
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CF,CHEMBL320721,7.68
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CO,CHEMBL107151,8.0
+CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL106169,8.52
+COc1cc(Cl)ccc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL106862,8.52
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL104678,7.37
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1,CHEMBL104323,8.22
+CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL319923,8.4
+COc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL105317,8.0
+COc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL104751,8.3
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1,CHEMBL326010,8.15
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1,CHEMBL320515,7.92
+O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106827,5.75
+C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL106119,6.86
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1,CHEMBL104058,8.3
+COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,CHEMBL105745,8.1
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1,CHEMBL105172,7.92
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1,CHEMBL105354,7.19
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1,CHEMBL321201,8.4
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1,CHEMBL105601,8.22
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL321698,8.21
+C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL105454,8.3
+CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,CHEMBL326863,7.96
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1F,CHEMBL317670,8.7
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL107742,8.335
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,CHEMBL419908,8.22
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1,CHEMBL104614,8.15
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1,CHEMBL107020,7.82
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1,CHEMBL104719,8.15
+O=C1COc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL108261,6.28
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc21,CHEMBL104138,5.87
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL104716,8.7
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1,CHEMBL326202,7.68
+O=C1Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL322326,8.1
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104788,8.4
+Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL104256,8.15
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1,CHEMBL104155,7.4
+O=C(CN1CCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104514,5.41
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2Cl)CC1,CHEMBL106914,7.54
+C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)N1CCc2ccccc21,CHEMBL107351,6.47
+Cc1ccc(C)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,CHEMBL105304,8.1
+COc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL104579,8.0
+O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104063,7.14
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1,CHEMBL419916,7.92
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL104321,7.96
+COc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL321734,7.6
+Cc1cccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)c1,CHEMBL105011,8.3
+CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL431437,5.24
+CC(C)c1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL320440,7.92
+Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1F,CHEMBL104273,8.52
+CC1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1,CHEMBL323022,6.87
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1,CHEMBL107804,7.92
+CC1Cc2ccccc2N1C(=O)CN1CCC(Cc2ccc(Cl)cc2)CC1,CHEMBL106170,5.14
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL104832,8.4
+O=c1sc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL108157,8.52
+CC(c1ccc(Cl)cc1)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CHEMBL106751,7.17
+CC(C(=O)N1CCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL324867,6.55
+CCc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL321538,8.22
+O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,CHEMBL104498,6.14
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL419356,8.22
+COc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,CHEMBL323525,7.82
+CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,CHEMBL106208,8.3
+O=C1C(=O)N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL322567,6.59
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc21,CHEMBL104399,7.85
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCSc2ccccc21,CHEMBL104238,7.85
+O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104380,7.89
+CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL104497,8.7
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCSc2ccccc21,CHEMBL106007,7.23
+O=S1(=O)Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL104800,8.15
+CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL53,8.05
+N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL2113718,7.74
+C(#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1)c1ccccc1,CHEMBL58662,7.08
+c1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1,CHEMBL294394,7.0
+C#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL57176,8.23
+c1ccc(-c2c[nH]c(CN3CCN(c4ccccc4)CC3)c2)cc1,CHEMBL60815,7.92
+N#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL56118,7.68
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,5.14
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,5.08
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL420997,6.04
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,7.31
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,5.24
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,5.52
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,8.35
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,5.31
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,5.12
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,5.37
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,5.15
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,5.19
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,8.82
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,5.44
+COc1c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL113471,6.255
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1,CHEMBL112831,6.49
+CNc1cc(OC)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl,CHEMBL447476,7.395
+CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL109912,8.565
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(I)c2ccccc12,CHEMBL325772,8.7
+COc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL325818,7.0
+C#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c2ccccc12,CHEMBL112833,8.375
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,CHEMBL325109,8.49
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(C#Cc2ccccc2)c2ccccc12,CHEMBL109472,6.06
+CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl,CHEMBL112395,8.08
+COc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3,CHEMBL440506,8.1
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL92489,8.44
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1Cl)CC3,CHEMBL91067,7.47
+O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2,CHEMBL314095,8.62
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3,CHEMBL329126,8.59
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,CHEMBL91273,8.37
+Cc1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL90466,6.84
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,CHEMBL89921,7.96
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3,CHEMBL90569,7.77
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,CHEMBL92373,8.06
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,CHEMBL314285,8.12
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)c(Cl)c1)CC3,CHEMBL89913,7.21
+COc1ccc2c3c(c(=O)oc2c1OC)CN(Cc1ccccc1)CC3,CHEMBL330100,7.8
+COc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccccc1)CC3,CHEMBL91367,6.38
+COc1cc2oc(=O)c3c(c2cc1OC)CCN(Cc1ccc(Cl)cc1)C3,CHEMBL90173,8.07
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL328054,8.82
+COc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1,CHEMBL91658,7.08
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3,CHEMBL88296,8.12
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3,CHEMBL91585,7.13
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3,CHEMBL91938,8.09
+Cc1c(-c2ccccc2)nnn1C1CCN(Cc2ccccc2)CC1,CHEMBL284346,7.77
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2ccccc2)CC1,CHEMBL25772,8.6
+Cc1cc(-c2ccccc2)n(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL24809,6.85
+Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL25887,7.74
+Cc1c(-c2ccccc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL281195,8.33
+c1ccc(CN2CCC(n3nnnc3-c3ccccc3)CC2)cc1,CHEMBL24603,5.92
+c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1,CHEMBL23537,7.82
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL24051,8.51
+c1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1,CHEMBL24170,7.49
+c1ccc(CN2CCC(n3nnc(-c4ccccc4)n3)CC2)cc1,CHEMBL24539,7.57
+Cc1nn(C2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1,CHEMBL287412,8.51
+c1ccc(CN2CCC(n3cnc(-c4ccccc4)c3)CC2)cc1,CHEMBL287217,7.4
+Cc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1,CHEMBL26120,8.92
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(C#N)c2)CC1,CHEMBL24052,8.28
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL150181,8.29
+COc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL149497,8.17
+Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL149596,8.74
+O=C1COc2ccc(CN3CCN(c4ccccc4)CC3)cc2N1,CHEMBL147130,7.74
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL151286,8.59
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL147059,8.59
+COc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL150129,8.3
+Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL346398,8.55
+COc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL348435,7.91
+O=C1COc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2N1,CHEMBL147011,7.2
+O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1,CHEMBL149233,8.21
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL151533,8.16
+COc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL146757,8.42
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL345552,8.37
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL150173,7.97
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,8.37
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL163239,7.0
+C=CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL544418,7.43
+CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL556969,7.59
+CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL542029,7.55
+CN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL163863,7.54
+CN1CCC(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL539057,8.02
+CN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL554670,7.92
+C=CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL555362,7.22
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@@H](CNCc1ccccc1)CC3,CHEMBL420986,8.15
+c1ccc(CNC[C@H]2CCc3ccc4[nH]ccc4c3O2)cc1,CHEMBL60185,5.66
+FC(F)(F)c1nc2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL313851,7.43
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@H](CNCc1ccccc1)CC3,CHEMBL93753,6.5
+O=c1[nH]c2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL93779,8.0
+O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,CHEMBL303556,6.44
+CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL26,5.68
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL180010,6.396
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,CHEMBL414838,6.28
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL175734,5.75
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL366904,5.97
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,5.99
+O=C(CCCN1C2CCC1CC(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL537182,6.46
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL553417,6.75
+O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL553327,7.72
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL558392,7.852
+O=C(CN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL556361,6.1
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1,CHEMBL537183,5.99
+COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2,CHEMBL184049,6.26
+CN1CCOc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL184050,6.43
+CN(C)CCOc1ccccc1Cc1ccccc1,CHEMBL186720,5.56
+c1ccc(Cc2ccccc2OCCN2CCCC2)cc1,CHEMBL435505,5.85
+c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,CHEMBL364565,5.35
+c1ccc(Cc2ccccc2OCCN2CCOCC2)cc1,CHEMBL365697,5.19
+c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,CHEMBL187367,5.9
+COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1,CHEMBL184486,8.945
+COc1cccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1,CHEMBL182432,7.375
+COc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1,CHEMBL184772,7.025
+Cc1cccc(NC(=O)CN2CCN(c3ccc(C(c4ccccc4)c4ccccc4)cc3)CC2)c1,CHEMBL363308,6.76
+Cc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1,CHEMBL185263,7.125
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1,CHEMBL184383,5.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1,CHEMBL184993,7.38
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1,CHEMBL183871,6.26
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1,CHEMBL182652,7.51
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1,CHEMBL362101,6.89
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL69571,6.44
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,6.63
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL187804,7.77
+Nc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)c1,CHEMBL424808,7.62
+CSc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,CHEMBL182075,7.77
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccccc2)cc1,CHEMBL185156,8.52
+O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1,CHEMBL360394,8.4
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL184388,8.1
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2cccc(F)c2)cc1,CHEMBL183160,7.77
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL366043,8.3
+O=Cc1ccccc1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1,CHEMBL184551,7.44
+O=Cc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,CHEMBL427522,7.15
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL187236,8.52
+O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL187122,8.7
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL186558,7.62
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL360424,8.52
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL366304,7.74
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccsc2)cc1,CHEMBL364782,8.7
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1,CHEMBL187113,8.47
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccsc2)c1,CHEMBL426062,8.7
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2cccs2)c1,CHEMBL361035,8.82
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.8
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.1
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,5.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL194727,7.47
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL196744,7.36
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1,CHEMBL198993,6.89
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,CHEMBL197162,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1,CHEMBL197214,7.12
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,CHEMBL197195,7.01
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL194755,8.0
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL195247,7.77
+CCCN(CCC)[C@@H]1CCn2nccc2C1,CHEMBL197159,4.83
+CCCNC1CCn2ncc(C(=O)OC)c2C1,CHEMBL383805,4.05
+CCCN(CCC)C1CCn2ncc(CO)c2C1,CHEMBL198125,4.8
+CCCN(CCC)C1CCn2ncc(C=O)c2C1,CHEMBL198174,4.85
+O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL370134,7.85
+O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL370652,7.68
+O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL383383,7.11
+O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL373032,7.28
+O=C(N[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL372770,7.66
+Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(-c4cccs4)c3)C2)cc1,CHEMBL381019,8.4
+O=C(N[C@H]1CCN(Cc2ccc(Cl)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL197381,7.8
+COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4cccs4)cc3)C2)c1,CHEMBL427555,7.85
+O=C(N[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1)c1ccc(-c2cccs2)cc1,CHEMBL197225,8.15
+O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL370823,8.3
+O=C(N[C@H]1CCN(Cc2ccccc2F)C1)c1ccc(-c2cccs2)cc1,CHEMBL196866,7.48
+O=C(N[C@H]1CCN(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL198580,7.85
+O=C(N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL199186,7.82
+CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL382850,6.42
+COc1cc2c(cc1OC)Cc1ccccc1CCN(C)CC2,CHEMBL202924,5.6
+CN1CCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL1204122,7.95
+CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1,CHEMBL1202298,6.78
+CN1CCc2ccccc2Cc2ccccc2CC1,CHEMBL201525,6.85
+CN1CCc2ccccc2Cc2ccsc2CC1,CHEMBL201093,6.76
+CN1CCc2ccccc2Cc2ccn(C)c2CC1,CHEMBL201483,5.78
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,8.07
+CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1,CHEMBL203637,7.73
+c1ccc(N2CCN(Cc3cnn(-c4ccccn4)c3)CC2)cc1,CHEMBL425057,8.59
+C1=C(c2ccccc2)CCN(Cc2cn(-c3ccccc3)nn2)C1,CHEMBL379177,8.49
+c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,CHEMBL210318,7.7
+C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1,CHEMBL378455,9.23
+COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)nn2)CC1,CHEMBL210232,8.57
+c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL211026,8.0
+Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1,CHEMBL377200,8.28
+c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1,CHEMBL209832,6.51
+Cc1nn(-c2ccccc2)cc1CN1CCN(c2ccccc2)CC1,CHEMBL208018,9.0
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL379602,9.55
+Fc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL210717,9.15
+Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL437490,8.54
+Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210955,8.54
+c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210405,9.0
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccn3)c2)CC1,CHEMBL210404,9.36
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,CHEMBL208847,6.85
+O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL426863,7.74
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL209876,7.48
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL210461,6.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL210567,8.083
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1,CHEMBL208274,9.08
+COc1ccccc1N1CCN(Cc2cn3c(-n4cccn4)cccc3n2)CC1,CHEMBL212160,9.03
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-n4cccn4)c3n2)CC1,CHEMBL210551,8.8
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(N4CCOCC4)c3n2)CC1,CHEMBL211118,8.64
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1,CHEMBL210283,8.89
+Clc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1Cl,CHEMBL210341,9.0
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1,CHEMBL211590,9.28
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1,CHEMBL211539,9.0
+COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1,CHEMBL379125,9.48
+COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1,CHEMBL211164,9.6
+CN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1,CHEMBL380287,5.72
+Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl,CHEMBL207543,6.92
+Fc1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,CHEMBL425064,5.55
+Fc1ccc(N2CCN(Cc3cn4ccncc4n3)CC2)cc1,CHEMBL377542,6.3
+Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL211135,8.7
+COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1,CHEMBL378515,8.8
+Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1,CHEMBL209034,8.89
+Fc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL207488,8.4
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL212370,8.15
+COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1,CHEMBL212631,8.55
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1Cl,CHEMBL378680,8.85
+Fc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL380054,7.36
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL377050,7.64
+CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL212782,7.42
+N#CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL376955,7.06
+CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1,CHEMBL377388,6.77
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1C,CHEMBL437687,7.94
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1,CHEMBL426510,7.86
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1,CHEMBL213164,8.19
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1,CHEMBL212784,7.87
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(C)c1,CHEMBL212861,8.1
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(C)c1,CHEMBL212903,7.49
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(C#N)c1,CHEMBL211836,7.7
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL212969,7.85
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL427048,7.27
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL212235,7.42
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1,CHEMBL211732,6.96
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1,CHEMBL215705,8.2
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1,CHEMBL378576,7.15
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL378324,8.19
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(C)c1,CHEMBL215450,7.94
+CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(C)c(C)c1,CHEMBL212444,7.56
+CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1,CHEMBL212291,6.89
+CO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1,CHEMBL212292,7.17
+CO/N=C(\CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL210101,6.87
+CO/N=C(/CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1,CHEMBL437532,7.05
+CO/N=C(\CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL212891,5.69
+CO/N=C(\c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1,CHEMBL214247,6.95
+CO/N=C(/c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1,CHEMBL441529,6.82
+CO/N=C(/c1ccc(Cl)cc1)C(C)CN1CCN(c2ccccn2)CC1,CHEMBL213004,6.46
+CO/N=C(/c1ccc(Cl)cc1)C(CNOC)CN1CCN(c2ccccn2)CC1,CHEMBL212288,6.92
+O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL214314,7.6
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212912,6.06
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL213834,6.01
+Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213424,5.31
+Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213336,5.73
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,CHEMBL378669,6.09
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL213492,5.7
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL425069,5.74
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,7.05
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL441618,6.97
+CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL216258,7.01
+CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1,CHEMBL216439,6.74
+Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1,CHEMBL219179,7.77
+Cc1cc(F)ccc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1,CHEMBL219261,6.39
+Cc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1,CHEMBL219185,6.53
+Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1,CHEMBL219182,5.84
+Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1,CHEMBL375596,8.1
+COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1,CHEMBL376092,8.89
+Cc1cccc(C(=O)NCN2CCC(c3ccccn3)CC2)c1,CHEMBL216794,7.49
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,CHEMBL221652,7.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,CHEMBL221640,7.47
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1,CHEMBL220700,7.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3o2)CC1,CHEMBL376020,7.24
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2o1,CHEMBL376445,5.51
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1,CHEMBL221681,7.77
+C#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)sc2c1,CHEMBL218368,6.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3s2)CC1,CHEMBL218318,7.35
+C#Cc1ccc2sc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL221397,7.51
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL374749,6.62
+COc1ccc(C(=O)NCCCCN2CCN(c3ccccc3Cl)CC2)cc1OC,CHEMBL221549,6.77
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,CHEMBL219274,6.55
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,CHEMBL218203,6.7
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1,CHEMBL218150,6.22
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc(C#N)cc3[nH]2)CC1,CHEMBL218638,7.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1,CHEMBL218444,7.8
+N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1,CHEMBL218151,6.2
+CCCc1c(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL221129,7.4
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL386986,7.12
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL217981,7.38
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL385289,7.04
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccc(OC)cc1,CHEMBL218351,6.89
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL220754,6.57
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1,CHEMBL221866,6.54
+COc1ccc(Cn2nnc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL437525,6.55
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1,CHEMBL218607,6.52
+CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL425285,6.66
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221587,6.8
+Cc1c(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL221897,6.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221843,6.01
+Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL373873,6.55
+c1ccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL221814,8.49
+c1ccc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL221600,9.23
+O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL229019,6.79
+O=C(NC1CCN(CCCCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL387952,6.44
+O=C(NC1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL387951,7.15
+O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL229021,6.64
+O=C(c1ccc2ccccc2c1)N1CCC(NCCCc2ccccc2)CC1,CHEMBL229077,6.65
+O=C(c1ccc2ccccc2c1)N1CCC(NCCc2ccccc2)CC1,CHEMBL229076,6.68
+O=C(c1ccc2ccccc2c1)N1CCC(NCc2ccccc2)CC1,CHEMBL375238,6.78
+O=C(NC1CCN(CCCCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL229025,6.55
+O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL229024,7.2
+CC(c1ccccc1)N1CCC(NC(=O)c2ccc3ccccc3c2)CC1,CHEMBL229023,7.54
+O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL388620,6.86
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL228972,7.96
+O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1,CHEMBL394042,6.49
+O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1,CHEMBL234827,6.52
+Cc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL234826,7.68
+Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL234825,7.96
+Cc1ccccc1CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1,CHEMBL234647,7.59
+COc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL234646,7.51
+COc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL234645,7.8
+O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1,CHEMBL234644,6.74
+O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1,CHEMBL430167,7.08
+O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1,CHEMBL234473,6.99
+O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2ccccc2c1,CHEMBL234472,7.47
+O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1,CHEMBL395867,7.44
+O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL233581,7.43
+O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL233580,7.27
+Cc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1,CHEMBL233578,7.16
+Cc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1,CHEMBL233404,7.11
+Cc1ccccc1CN1CCC(NC(=O)c2cccc3ccccc23)CC1,CHEMBL395632,6.81
+COc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1,CHEMBL233403,6.65
+COc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1,CHEMBL434583,6.77
+O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc2ccccc12,CHEMBL234824,7.02
+O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc2ccccc12,CHEMBL398990,6.92
+O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc2ccccc12,CHEMBL234643,7.36
+O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cccc2ccccc12,CHEMBL395631,7.18
+O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12,CHEMBL234641,7.37
+O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccccc12,CHEMBL234640,6.94
+O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1cccc2ccccc12,CHEMBL233214,6.48
+COc1ccc(C2=NO[C@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL243012,6.37
+CCOc1ccccc1N1CCN(CCC[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243225,6.65
+CCOc1ccccc1N1CCN(CCC[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243224,6.29
+COc1ccc(C2=NO[C@@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL390181,6.32
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,5.84
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL242218,5.91
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL242644,5.83
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,6.37
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,5.34
+CN1CCCc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL389356,5.65
+COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,CHEMBL397207,5.3
+CN1CCCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL394779,5.43
+COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,CHEMBL231374,5.56
+Oc1ccc2c(c1)CCCNCCc1ccccc1C2,CHEMBL396950,5.37
+COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,CHEMBL231171,5.54
+CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,CHEMBL389559,6.37
+COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,CHEMBL276778,6.57
+CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL231070,7.22
+COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,CHEMBL389357,5.96
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,7.1
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,8.8
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,8.0
+C#Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL241631,8.1
+C#Cc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL239733,7.0
+C#Cc1ccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL393365,7.16
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,CHEMBL240584,7.46
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241436,6.72
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL392437,7.4
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241641,6.48
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL394292,6.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,CHEMBL391257,6.77
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL391256,7.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,CHEMBL241424,6.66
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL241212,6.96
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241211,7.92
+C#Cc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL394473,9.35
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241210,7.66
+OC1(c2ccccc2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL392822,5.55
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1,CHEMBL247058,6.25
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL401031,6.5
+CCCCCCn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL246855,5.05
+Cn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL400827,5.29
+CSc1ccc(C2(O)CCN(Cc3coc4ccccc34)CC2)cc1,CHEMBL246854,6.82
+OC1(c2ccc(Cl)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246644,6.39
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246643,6.78
+OC1(c2ccc(Cl)cc2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL394066,5.67
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL246642,6.17
+Cc1[nH]c2ccccc2c1CN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL246439,5.52
+C=CCOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL400826,5.92
+COC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246438,7.47
+OCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246437,5.71
+CC(=O)NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399601,5.35
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399396,5.45
+COC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246231,5.41
+N#CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246230,5.64
+FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL394065,6.44
+CC(=O)NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246021,6.46
+NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL430198,5.64
+CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246020,5.56
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)C1,CHEMBL245816,5.61
+OC1(Cc2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245815,5.41
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL393027,5.41
+OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245615,6.89
+CCCCCCOc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL398368,5.83
+COc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL245614,6.17
+Oc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL392823,5.87
+OC1(c2ccc(F)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246849,5.22
+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246848,5.43
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246637,5.96
+OC1(c2cccc(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL396092,5.45
+OC1(c2cccc(Cl)c2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL397770,5.81
+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC,CHEMBL392158,5.89
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)ccc1OC,CHEMBL397592,5.77
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,CHEMBL240106,6.68
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC,CHEMBL397103,6.2
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC,CHEMBL241169,6.6
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,CHEMBL76402,6.68
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,CHEMBL8809,5.51
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1O,CHEMBL267723,6.24
+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC,CHEMBL428561,5.52
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL431298,6.89
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCF,CHEMBL256492,8.74
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)cc1OC,CHEMBL256637,8.77
+FCCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL255163,7.09
+FCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL272073,7.3
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF,CHEMBL404888,7.92
+COc1cc(CN2CCN(c3ccccc3OC)CC2)c(OCCF)cc1OC,CHEMBL270406,8.89
+COc1ccccc1N1CCN(Cc2cccc(OCCF)c2)CC1,CHEMBL270408,8.8
+COc1ccccc1N1CCN(Cc2ccc(OCCF)cc2)CC1,CHEMBL271513,8.43
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,7.38
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,8.18
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,8.19
+O=C(CCCN1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(F)cc1,CHEMBL476934,6.28
+O=C(CCCN1CC2CCC(C1)N2c1ccccc1)c1ccc(F)cc1,CHEMBL476933,5.68
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL483593,7.16
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL484357,5.51
+C#CC1=CCC(N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL484358,8.37
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL485384,5.74
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL491466,5.96
+C#CC1=CCC(N(CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL484202,6.72
+CC#CC1=CCC(N(CCC)CCCCn2cc(C)nn2)CC1,CHEMBL484203,7.0
+CCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL444128,5.21
+CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL484204,5.85
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1,CHEMBL485227,6.17
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,6.71
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,6.85
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,6.44
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.96
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1c[nH]c2ncccc12,CHEMBL514590,5.1
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12,CHEMBL460854,6.56
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1,CHEMBL460855,6.09
+Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL460223,7.73
+Clc1ccc(N2CCC3CCC(C2)N3Cc2c[nH]c3ncccc23)cc1,CHEMBL458342,6.23
+O=C(CCCN1CC2CC1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL514591,6.29
+Clc1ccc(N2CC3CC2CN3Cc2c[nH]c3ncccc23)cc1,CHEMBL514747,7.16
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ncccc23)C1,CHEMBL513776,5.92
+c1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1,CHEMBL460644,7.25
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.26
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.35
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.76
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,5.57
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.03
+COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627322,6.75
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627321,5.98
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL1627319,5.89
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1627317,5.67
+COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1627315,5.82
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1,CHEMBL1627313,6.34
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1,CHEMBL1627311,6.01
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627308,5.72
+O=C(NCC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627306,5.43
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627305,5.497000000000001
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627323,6.19
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,6.32
+CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL561763,7.99
+COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1,CHEMBL562620,8.78
+Clc1ccc(N2CCN(CCCCCc3cc4ccccn4n3)CC2)cc1,CHEMBL561622,7.34
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL551964,5.85
+COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1,CHEMBL558838,8.19
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1,CHEMBL563614,7.85
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1,CHEMBL564709,6.02
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)ncn23)CC1,CHEMBL561262,7.41
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)ncn34)CC2)cc1,CHEMBL550920,7.92
+COc1ccccc1N1CCN(Cc2cc3c(=O)nc(N(C)C)[nH]c3[nH]2)CC1,CHEMBL552268,8.62
+Clc1nccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c12,CHEMBL559868,8.19
+Cc1cc2nc(C)c(CN3CCN(c4ccccc4)CC3)n2c(C)n1,CHEMBL550392,7.15
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1,CHEMBL554692,7.18
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2c(C)n1,CHEMBL563078,7.68
+Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2c(C)n1,CHEMBL562384,6.92
+Cc1cc2nc(C)c(CN3CCN(c4ccc(F)cc4)CC3)n2c(C)n1,CHEMBL549638,6.44
+COc1ccccc1N1CCN(Cc2cnc3cc(C)nc(C)n23)CC1,CHEMBL563109,7.18
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL556288,8.42
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c2c1=O,CHEMBL564688,8.47
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccn4)CC3)c[nH]c2c1=O,CHEMBL551199,8.55
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1=O,CHEMBL559399,7.8
+Cn1c(N2CCOCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL561123,7.6
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,CHEMBL560177,6.8
+COc1ccccc1N1CCN(CCNC(=O)c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1,CHEMBL573791,7.33
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1,CHEMBL573792,8.24
+COc1ccc(-n2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,CHEMBL574030,6.62
+O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL572379,7.55
+COc1ccc(-n2cc(CCCC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,CHEMBL572867,5.74
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7cccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)c7)nn6)cc5)cc4)nn3)c2)CC1,CHEMBL574569,5.47
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7ccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)cc7)nn6)cc5)cc4)nn3)cc2)CC1,CHEMBL574534,6.07
+COc1ccc2c(c1)CCN(C)CCc1ccccc1C2,CHEMBL380330,7.36
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL487387,5.43
+COc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL596448,5.59
+Oc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL593897,5.29
+COc1ccc2c(c1)CCN(C)C2Cc1ccccc1C,CHEMBL594127,5.18
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.58
+Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21,CHEMBL593196,7.0
+Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc21,CHEMBL593744,7.2
+Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,CHEMBL604993,6.6
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,CHEMBL593745,6.9
+Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21,CHEMBL608103,6.6
+Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21,CHEMBL605831,8.1
+Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21,CHEMBL596527,6.7
+Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL593056,5.6
+Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21,CHEMBL596271,6.9
+Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21,CHEMBL603443,6.2
+Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL605836,6.2
+Cn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21,CHEMBL595759,5.6
+Cn1c(CN2CCN(c3ccc(Cl)cc3F)CC2)nc2ccccc21,CHEMBL595607,6.6
+Cn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,CHEMBL595608,6.4
+Cn1c(CN2CCN(c3nc4ccccc4s3)CC2)nc2ccccc21,CHEMBL595609,6.1
+Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21,CHEMBL595151,6.0
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1,CHEMBL599487,5.36
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL298406,5.26
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21,CHEMBL600083,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21,CHEMBL604316,5.22
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21,CHEMBL599116,5.2
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21,CHEMBL604127,5.0
+COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL598730,5.32
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL604314,5.4
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21,CHEMBL598949,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21,CHEMBL604732,5.36
+CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL599134,5.12
+CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,CHEMBL604525,5.23
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21,CHEMBL599135,5.08
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21,CHEMBL605354,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21,CHEMBL598105,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21,CHEMBL605339,5.0
+COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,CHEMBL603872,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21,CHEMBL597900,5.0
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21,CHEMBL605127,5.3
+CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1,CHEMBL1087301,6.65
+CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1,CHEMBL1087300,7.41
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.11
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,CHEMBL1170096,6.15
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12,CHEMBL1170095,6.08
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1170683,6.19
+O=C1N(Cc2cn(CCF)nn2)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1171630,6.01
+CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O,CHEMBL1169728,6.45
+O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1170085,6.02
+CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O,CHEMBL1169896,6.31
+O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1,CHEMBL1169895,7.14
+O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1,CHEMBL1172214,6.79
+OC1(c2ccc(I)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1171249,7.39
+OC1(c2ccc(Br)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1172213,7.02
+OC1(c2ccccc2)CCN(Cc2cc3ccccc3s2)CC1,CHEMBL1172212,6.42
+OC1(c2ccc(I)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1170456,6.61
+OC1(c2ccc(Br)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1172210,6.6
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL1172209,6.03
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1172208,6.2
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1170879,6.21
+COc1ccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2c1,CHEMBL1173778,5.65
+COc1cccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c12,CHEMBL1173436,5.86
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1,CHEMBL1173366,6.46
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1,CHEMBL1173711,6.18
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1,CHEMBL1173288,6.89
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12,CHEMBL1173287,7.22
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1173285,7.27
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,7.96
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1257688,9.14
+Cc1ccc(C)c(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1257689,7.7
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1257810,7.41
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256169,7.52
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,CHEMBL1257811,7.21
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3cc(C)ccc3C)CC2)c1,CHEMBL1257927,7.52
+O=C(CCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1258036,6.92
+Cc1ccc(C)c(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1258037,7.77
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1258154,6.92
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1,CHEMBL1258155,8.0
+O=C(CCCN1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256170,7.72
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1,CHEMBL1258270,7.35
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1,CHEMBL1258382,6.06
+Cc1ccc(C)c(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,CHEMBL1258383,6.52
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc(C)ccc2C)CC1,CHEMBL1258494,7.64
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256171,6.77
+Cc1ccc(C)c(C(=O)NCCCCN2CCN(c3cc(C)ccc3C)CC2)c1,CHEMBL1258495,6.66
+Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1,CHEMBL1259071,5.7
+Cc1ccc(CNCC2(F)CCN(C(=O)c3csc4ccccc34)CC2)nc1,CHEMBL1259241,6.34
+Cc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1,CHEMBL1258999,6.23
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL45305,5.7
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(F)cc2)CC1,CHEMBL338606,7.37
+N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,CHEMBL567286,6.77
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689012,6.74
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689009,6.05
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689006,6.61
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689004,6.0
+CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689002,6.05
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1,CHEMBL1688994,5.68
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688992,5.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688991,6.09
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL1688990,6.05
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL112065,7.57
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1,CHEMBL1765629,7.23
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(Cl)c2C1,CHEMBL1765630,6.72
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1,CHEMBL1765631,5.2
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1Cc2cccn3ncc(c23)C1,CHEMBL1765632,6.64
+COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1,CHEMBL477250,8.72
+COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1,CHEMBL477206,8.89
+COc1ccc2c(c1)CCCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,CHEMBL1771105,8.52
+COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1,CHEMBL1771106,8.55
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccccc4)ccc3C2=O)CC1,CHEMBL1771107,8.47
+COc1ccccc1N1CCN(CCCCN2CCc3c(cccc3-c3ccccc3)C2=O)CC1,CHEMBL1771108,8.01
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccco4)ccc3C2=O)CC1,CHEMBL1771109,8.48
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771110,8.64
+COc1ccccc1N1CCN(CCCCN2CCCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771111,8.54
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccncc4)ccc3C2=O)CC1,CHEMBL1771112,8.47
+COc1ccccc1N1CCN(CCCCN2CCc3cc(C#N)ccc3C2=O)CC1,CHEMBL1771113,8.21
+C#Cc1ccc2c(c1)CCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,CHEMBL1771114,8.39
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,6.05
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,6.48
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL1774384,5.51
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL1774386,5.27
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1774534,5.83
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1774535,5.47
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL1774536,5.5
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,7.03
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803023,8.27
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803024,7.82
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803025,7.72
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803026,7.96
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803027,8.17
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803028,7.92
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803029,7.72
+CCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803030,8.48
+CCCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803049,8.14
+CCCCn1cc(CCCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803050,7.89
+CCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803051,8.08
+CCOCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803052,8.19
+CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803053,7.85
+COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803054,7.92
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(C5CCCCC5)CC4)cc3OC)nn2)nn1,CHEMBL1803055,7.72
+O=C1CCc2ccc(OCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1,CHEMBL1813586,5.88
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2N1,CHEMBL1813587,5.99
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)cc2N1,CHEMBL1813588,5.87
+CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)C1=O,CHEMBL1813589,6.06
+COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813590,6.67
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1,CHEMBL1813591,6.73
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1,CHEMBL1813585,6.44
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,CHEMBL1813592,6.54
+COc1cc(C)ccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813593,7.57
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813594,7.52
+O=c1ccc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2[nH]1,CHEMBL1813595,7.5
+COc1ccccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813596,7.41
+COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813597,7.28
+COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813598,6.63
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813599,6.7
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.67
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.21
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.34
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.49
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.69
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.96
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.16
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.09
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.27
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,6.29
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.41
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,7.15
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,7.08
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.04
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916548,7.66
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916720,7.4
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1916552,7.08
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2OC)nn1,CHEMBL1916551,7.38
+COc1cc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1916550,6.18
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN(CCC)C5Cc6ccccc6C5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916549,7.47
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1,CHEMBL1923292,8.96
+COc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923293,8.38
+Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923415,8.14
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cn1,CHEMBL1923416,7.82
+CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928119,6.85
+CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928120,6.66
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL1928121,7.42
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL1928122,7.32
+CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL1928123,6.62
+CCOCCOCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL1928124,6.6
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928125,7.09
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928126,7.17
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928127,6.72
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928128,7.11
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928129,6.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928130,6.89
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928131,6.44
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928132,6.85
+CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928133,7.15
+CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928134,7.19
+CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928135,7.35
+CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928136,6.8
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1926700,7.29
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928137,7.11
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928138,6.85
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928139,7.0
+CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1,CHEMBL1928247,5.62
+COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL1928248,5.27
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL26188,6.77
+C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,CHEMBL1949725,7.19
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO,CHEMBL1949728,6.39
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO,CHEMBL1949729,5.31
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022271,6.68
+Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022272,7.38
+Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2,CHEMBL2022273,6.1
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.47
+O=C(c1cnc2ccccc2n1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164346,7.46
+O=C(c1cccc2ccccc12)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164345,6.6
+O=C(c1ccc2ccccc2c1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164355,6.54
+O=C(c1cnc2ccccc2n1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164353,7.25
+O=C(c1cccc2ccccc12)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164352,6.26
+O=C(c1ccc2ccccc2c1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164351,6.09
+COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1,CHEMBL2164349,7.82
+COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1,CHEMBL2164348,7.16
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1,CHEMBL2164347,6.74
+O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL2204343,7.85
+COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1,CHEMBL2207643,9.4
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,CHEMBL2207642,8.22
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,CHEMBL2207641,9.1
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1,CHEMBL2207640,8.42
+COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,CHEMBL2207639,8.34
+COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,CHEMBL2207638,8.72
+COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,CHEMBL2207637,8.82
+COc1ccccc1N1CCN(Cc2cc(C#N)c3cccccc2-3)CC1,CHEMBL2207636,8.62
+COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,CHEMBL2207635,9.15
+CCCC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207634,7.72
+COc1ccccc1N1CCN(Cc2cc(C#Cc3ccccc3)c3cccccc2-3)CC1,CHEMBL2207633,7.8
+C#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207632,8.02
+c1ccc(C[n+]2cc[n+](-c3cccc4[nH]cnc34)cc2)cc1,CHEMBL2298811,7.33
+c1ccc(C[n+]2cc[n+](-c3cccc4[nH]ccc34)cc2)cc1,CHEMBL2298808,7.83
+FC(F)(F)c1nc2c(-[n+]3cc[n+](Cc4ccccc4)cc3)cccc2[nH]1,CHEMBL2298812,8.54
+Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12,CHEMBL2298809,8.59
+Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1,CHEMBL2298810,8.77
+c1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1,CHEMBL2336893,7.35
+c1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1,CHEMBL2336892,8.475
+Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL2333732,7.47
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL597601,6.755
+CNc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386623,6.15
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc(OC)c2OC)CC1,CHEMBL2386622,6.36
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)nc2)CC1,CHEMBL2386621,6.08
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)nc2)CC1,CHEMBL2386620,6.19
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1,CHEMBL2386619,6.39
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)s2)CC1,CHEMBL2386618,6.75
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,CHEMBL2386617,6.18
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCO)cc2)CC1,CHEMBL2386616,6.13
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccccc3)s2)CC1,CHEMBL2386615,6.47
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2386614,6.53
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL2386613,6.79
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1,CHEMBL2386612,6.73
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL2386611,6.8
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL2386610,6.46
+C=Cc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386609,6.14
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL2386608,6.28
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL2386607,6.37
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(SC)cc2)CC1,CHEMBL2386606,6.43
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL2386605,6.22
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,CHEMBL2386604,6.73
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2397480,8.32
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2397479,8.28
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cnn(CCCC)n3)c(OC)c2)CC1,CHEMBL2397478,7.52
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cnn(CCCC)n3)c(OC)c2)CC1,CHEMBL2397477,7.23
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL2397476,7.66
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL2397392,7.85
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL2397391,6.96
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL2397390,7.43
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL2396663,7.74
+Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414358,5.93
+Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414357,6.1
+Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414356,6.48
+Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414355,5.82
+Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414354,7.0
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.68
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.15
+Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl,CHEMBL2420895,8.21
+CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL2420894,10.52
+Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl,CHEMBL2420893,7.96
+CCOc1ccccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2420892,8.52
+Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl,CHEMBL2420891,7.65
+CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1,CHEMBL2420890,8.35
+Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl,CHEMBL2420782,7.51
+CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1,CHEMBL2420781,8.7
+Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl,CHEMBL2420780,8.36
+CCOc1ccccc1N1CCN(Cc2cccnc2)CC1,CHEMBL2420779,9.15
+Oc1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420778,6.82
+Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl,CHEMBL2420777,7.11
+Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420776,6.67
+Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420775,6.98
+Oc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420774,8.13
+CCOc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420773,8.41
+Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl,CHEMBL2420772,7.3
+Clc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420771,7.28
+Fc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420770,7.24
+c1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420769,7.19
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4cnco4)cc3)nn2)CC1,CHEMBL2430438,6.37
+COc1ccccc1N1CCN(CCCCn2cc(-c3cccnc3)nn2)CC1,CHEMBL2430439,5.72
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(N)cc3)nn2)CC1,CHEMBL2430440,6.27
+COc1ccc(-c2cn(CCCCN3CCN(c4ccccc4OC)CC3)nn2)cc1,CHEMBL2430441,6.4
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(Br)cc3)nn2)CC1,CHEMBL2430442,6.41
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccccc3)nn2)CC1,CHEMBL2430443,6.255
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,5.265
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1,CHEMBL2443004,7.85
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1,CHEMBL2443008,7.49
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1,CHEMBL2443007,7.8
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1,CHEMBL2443006,7.0
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1,CHEMBL2443005,8.29
+COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1,CHEMBL2443003,6.47
+COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1,CHEMBL2443002,6.3
+COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1,CHEMBL2443001,6.17
+COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1,CHEMBL2443000,6.82
+COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1,CHEMBL2443010,7.64
+COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1,CHEMBL2443009,7.7
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,5.885
+Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2,CHEMBL3115582,7.6
+Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2,CHEMBL3115581,7.1
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2,CHEMBL3115579,7.495
+Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115578,8.015
+Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115577,7.84
+Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2,CHEMBL3115575,9.015
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2,CHEMBL3115574,8.805
+CCCCCCNC[C@H]1CCc2ccc(O)cc2O1,CHEMBL3115585,8.27
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1,CHEMBL3133868,6.44
+COc1ccc2[nH]c(C(=O)NC/C=C/CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL3133866,6.79
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1,CHEMBL3133862,6.25
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,CHEMBL3133779,6.55
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,CHEMBL3133875,6.35
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.7
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,6.97
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,7.22
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,6.49
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL2028019,6.96
+Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl,CHEMBL3287390,6.89
+Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl,CHEMBL3287391,7.8
+Clc1cccc(N2CCN(CCCCOc3ccc4ccnn4c3)CC2)c1Cl,CHEMBL3287392,8.36
+Clc1cccc(N2CCN(CCCCOc3cccc4ccnn34)CC2)c1Cl,CHEMBL3287393,7.8
+Clc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl,CHEMBL3287394,7.48
+CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287395,7.33
+OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287396,7.46
+O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287397,7.24
+O=Cc1cnn2cccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,CHEMBL3287398,7.39
+O=Cc1cnn2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,CHEMBL3287399,7.74
+O=Cc1cnn2c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc12,CHEMBL3287400,7.11
+O=Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nn2ccccc12,CHEMBL3287401,7.54
+O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287402,7.05
+O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287403,8.25
+O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287404,7.62
+N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287405,8.24
+N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287406,8.03
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,7.85
+c1ccc(CCC2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1,CHEMBL3335535,6.85
+c1ccc(CC[C@@H]2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1,CHEMBL3335537,7.15
+FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335554,7.19
+Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335555,7.55
+Clc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335556,7.44
+FC(F)(F)Oc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335538,7.37
+COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335539,7.34
+Clc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335540,7.09
+Cc1ccccc1CN1CCOC(CCc2ccccc2)C1,CHEMBL3335541,5.99
+FC(F)(F)Oc1cccc(CN2CCOC(CCc3ccccc3)C2)c1,CHEMBL3335542,6.96
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+c1ccc(CCC2CN(Cc3ccccc3)CCO2)cc1,CHEMBL3335544,6.39
+Fc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1,CHEMBL3335545,5.97
+COc1ccccc1N1CCN(CCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353898,6.06
+COc1ccccc1N1CCN(CCCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353899,6.73
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353900,7.05
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+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353910,6.12
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+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353914,6.64
+O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318831,7.62
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+Cc1ccc(C(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL3318844,6.89
+CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318845,8.03
+CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318824,8.6
+CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL1200986,8.24
+O=C(CCN1CCN(CCC(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318846,7.48
+CN(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)CCN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318847,7.54
+CN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318848,8.06
+O=C(CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318849,7.72
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+O=C(CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318851,7.34
+O=C(CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3318852,4.74
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,8.15
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577342,7.52
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577343,6.74
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,CHEMBL3577344,6.1
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577345,6.54
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577346,8.03
+CCCN(CCC)CCc1cccc2c1CC(=O)N2,CHEMBL589,8.11
+Cc1ccc(Cl)c(N2CCN(CCCCNC(=O)c3ccc4oc(=O)[nH]c4c3)CC2)c1,CHEMBL3590086,5.63
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL3590085,4.45
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,CHEMBL3590077,7.03
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)c(F)c2)CC1,CHEMBL3590078,7.44
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2cc(F)c(F)c(F)c2)CC1,CHEMBL3590079,7.33
+CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590080,7.8
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590081,7.47
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3590082,7.51
+CCCN(CCCCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3590083,7.4
+CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590084,8.85
+CCCN(CCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3589575,9.0
+CCCN(CCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589576,8.7
+CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589577,8.0
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588913,6.52
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588914,6.48
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588915,6.45
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353895,6.31
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,CHEMBL3588918,5.35
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,CHEMBL3588919,6.29
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588920,6.63
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588921,6.23
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588981,6.65
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1,CHEMBL3588982,6.57
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL3588983,6.37
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,CHEMBL3589652,5.44
+COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1,CHEMBL3613873,7.43
+O=Cc1cnn2ccc(-n3cc(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613874,6.89
+O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613875,5.85
+O=Cc1cnn2ccc(-n3cc(CCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613876,5.52
+COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1,CHEMBL3613877,7.01
+Clc1cccc(N2CCN(CCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613878,6.74
+Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613879,7.38
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613880,7.12
+CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1,CHEMBL3622099,9.14
+Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL3622097,7.7
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.07
+CN1CCc2ccccc2Cc2sccc2CC1,CHEMBL3752512,6.73
+CN1CCc2ccccc2Cc2sc3ccccc3c2CC1,CHEMBL3753266,7.14
+CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,CHEMBL504548,8.05
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.77
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,CHEMBL3774411,4.8
+COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1,CHEMBL3793264,7.23
+Clc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1,CHEMBL3793033,7.33
+Fc1cccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c12,CHEMBL3793347,5.97
+Fc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,CHEMBL3793782,8.28
+COc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,CHEMBL3792805,8.27
+Clc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1,CHEMBL3793906,7.43
+COc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1,CHEMBL3793890,6.89
+Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,CHEMBL3793137,8.66
+c1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1,CHEMBL3793438,7.8
+Cn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc21,CHEMBL3792637,7.33
+FC1(F)Oc2ccc(CN3CCO[C@H](COc4ccccc4)C3)cc2O1,CHEMBL3793266,7.14
+c1ccc(OC[C@@H]2CN(Cc3cccc4cc[nH]c34)CCO2)cc1,CHEMBL3792813,7.43
+c1ccc(OC[C@@H]2CN(Cc3[nH]nc4ccccc34)CCO2)cc1,CHEMBL3793996,7.74
+c1ccc(OC[C@@H]2CN(Cc3ncn4ccccc34)CCO2)cc1,CHEMBL3792931,7.46
+c1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1,CHEMBL3792541,6.8
+CSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,CHEMBL3792638,7.79
+COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1OC,CHEMBL3792941,7.37
+FC(F)(F)Oc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,CHEMBL3794375,7.29
+COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl,CHEMBL3793389,7.94
+COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,CHEMBL3792438,7.98
+COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1F,CHEMBL3794529,7.94
+COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F,CHEMBL3793910,7.84
+Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F,CHEMBL3793072,7.05
+Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F,CHEMBL3792728,7.79
+Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,CHEMBL3794469,7.57
+Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F,CHEMBL3793062,6.82
+Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl,CHEMBL3794174,7.72
+Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,CHEMBL3793169,6.77
+c1ccc(OC[C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)cc1,CHEMBL3794336,6.51
+c1ccc(OC[C@@H]2CN(Cc3ccc4ccccc4c3)CCO2)cc1,CHEMBL3792556,7.75
+COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,CHEMBL3793858,7.36
+Cc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C,CHEMBL3792923,7.91
+Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,CHEMBL3793112,7.38
+Clc1ccc(CN2CCO[C@H](COc3ccccn3)C2)cc1,CHEMBL3793709,6.14
+Fc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1,CHEMBL3794199,7.98
+COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1,CHEMBL3793375,7.88
+COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1Cl,CHEMBL3793612,7.97
+COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl,CHEMBL3792803,8.0
+COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1,CHEMBL3793984,7.59
+COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1,CHEMBL3794421,7.38
+COc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1,CHEMBL3794363,6.96
+COc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1,CHEMBL3794287,7.44
+COc1cc(CN2CCO[C@H](COc3cccc(C#N)c3)C2)ccc1Cl,CHEMBL3792907,7.55
+COc1ccc(CN2CCO[C@H](COc3cccc(C#N)c3)C2)cc1Cl,CHEMBL3793131,7.44
+Fc1ccc2c(CN3CCO[C@H](COc4cccc(F)n4)C3)c[nH]c2c1,CHEMBL3794013,7.68
+Fc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1,CHEMBL3794158,6.89
+COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl,CHEMBL3792532,7.14
+Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1,CHEMBL3792751,8.48
+Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1,CHEMBL3792725,7.54
+Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1,CHEMBL3792731,8.03
+Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C,CHEMBL3794079,8.13
+COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800400,5.48
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800468,5.04
+COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3799455,6.05
+COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800303,6.85
+COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3799427,6.0
+COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800636,7.42
+COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3798748,5.85
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3797205,5.27
+COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3800341,7.26
+COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL3797876,6.52
+COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1,CHEMBL3799593,6.62
+COc1ccccc1OCCNCCc1ccc(O)c(O)c1,CHEMBL3797758,8.35
+CC(C)NCC(O)c1ccc(O)c(O)c1,CHEMBL434,5.54
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,6.88
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,5.81
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,6.79
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,6.93
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,8.805
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL3818398,6.17
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,5.77
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.08
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,7.795
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL3818799,7.17
+O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,CHEMBL3819403,5.91
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,6.79
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.85
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3818940,6.64
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.36
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,6.29
+O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL297302,10.18
diff --git a/chembl_200/CHEMBL220.csv b/chembl_200/CHEMBL220.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7c0a97ae20933d6bccd20c1e92a964c58f4e68f2
--- /dev/null
+++ b/chembl_200/CHEMBL220.csv
@@ -0,0 +1,351 @@
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+c1ccc(CN2CCC(CCc3noc4cc(N5CCOCC5)ccc34)CC2)cc1,CHEMBL93936,9.1
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+c1ccc(CN2CCC(CCc3[nH]nc4ccccc34)CC2)cc1,CHEMBL92958,6.92
+Cc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL433379,8.11
+COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1,CHEMBL418955,8.08
+Brc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1,CHEMBL330004,7.3
+c1ccc(CN2CCC(CCc3nsc4ccccc34)CC2)cc1,CHEMBL328102,7.0
+c1ccc(CN2CCC(CCCc3noc4ccccc34)CC2)cc1,CHEMBL93241,6.05
+c1ccc(CN2CCC(CCNc3noc4ccccc34)CC2)cc1,CHEMBL328715,6.09
+NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1,CHEMBL92663,8.06
+c1ccc(CN2CCC(CCc3nccc4ccccc34)CC2)cc1,CHEMBL92142,6.66
+c1ccc(CN2CCC(CNc3noc4ccccc34)CC2)cc1,CHEMBL92629,6.49
+Oc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1,CHEMBL92463,7.59
+Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1,CHEMBL420625,7.7
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+COc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL94186,8.14
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+COc1ccc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)ccc2c1,CHEMBL87823,7.3
+COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)n(C)c2cc1OC,CHEMBL432376,6.92
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+CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC,CHEMBL173309,7.91
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+CCCCNC(=O)OCCCCCCCCO,CHEMBL181445,6.44
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+CCCCNC(=O)OCCCCCCCCCCCCO,CHEMBL182696,6.52
+CCCCNC(=O)OCCCCCCCCCCCCCCO,CHEMBL183394,6.7
+CCCCNC(=O)OCCCCCCCCCCCCCCCCO,CHEMBL184316,6.89
+CCCCNC(=O)OCCOC(=O)NCCCC,CHEMBL366931,6.44
+CCCCNC(=O)OCCCCCOC(=O)NCCCC,CHEMBL181867,6.6
+CCCCNC(=O)OCCCCCCCCOC(=O)NCCCC,CHEMBL425165,6.82
+CCCCNC(=O)OCCCCCCCCCCOC(=O)NCCCC,CHEMBL185000,6.8
+CCCCNC(=O)OCCCCCCCCCCCCOC(=O)NCCCC,CHEMBL184946,6.8
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+CCCCNC(=O)OCCCCCCCCCCCCCCCCOC(=O)NCCCC,CHEMBL362685,6.77
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+COc1cc2cc(C(=O)C3CCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC,CHEMBL186144,8.1
+COc1cc2cc(C(=O)C3CC[N+](C)(Cc4ccccc4)CCC3O)sc2cc1OC,CHEMBL361869,7.37
+COc1cc2cc(C(=O)CC3CCC(O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC,CHEMBL189283,6.42
+COc1cc2cc(C(=O)CC3CCCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC,CHEMBL362711,6.96
+COc1cc2cc(C(=O)C3CC[N+](C)(Cc4ccccc4)CCC3OC)sc2cc1OC,CHEMBL185976,6.92
+COc1cc2cc(C(=O)C3=CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC,CHEMBL188325,6.28
+COc1cc2cc(C3CC[N+](C)(Cc4ccccc4)CC3O)sc2cc1OC,CHEMBL187812,4.71
+COc1cc2cc(C3=CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC,CHEMBL191729,5.57
+COCC[N+]1(C)CCCC(C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1,CHEMBL364125,7.28
+COc1cc2cc(C(=O)C3CCC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC,CHEMBL610243,7.49
+COc1cc2cc(C(=O)C3CCC[N+](C)(CC4CCCCO4)CC3)sc2cc1OC,CHEMBL372491,7.55
+COc1cc2cc(C(=O)C3CCC[N+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC,CHEMBL364585,7.1
+COc1cc2cc(C(=O)C3CCC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC,CHEMBL188917,6.41
+COc1cc2cc(C(=O)C3CCC[N+](C)(CC#N)CC3)sc2cc1OC,CHEMBL188338,6.0
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](C)cc1)C2,CHEMBL366114,6.05
+CC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1,CHEMBL188753,6.55
+C=CC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1,CHEMBL189122,6.66
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](CC3CC3)cc1)C2,CHEMBL189517,6.96
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](CC3CCC3)cc1)C2,CHEMBL365904,7.4
+CCOCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1,CHEMBL186264,8.15
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](Cc3ccc(F)cc3)cc1)C2,CHEMBL187818,8.59
+COC(=O)c1ccc(C[n+]2ccc(CCC(=O)C3Cc4cc(OC)c(OC)cc4S3)cc2)cc1,CHEMBL188011,6.0
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](Cc3ccsc3)cc1)C2,CHEMBL362752,8.22
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](Cc3coc([N+](=O)[O-])c3)cc1)C2,CHEMBL610242,8.35
+[CH2+]n1nc(CCC2CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL362350,6.47
+O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1,CHEMBL359570,9.48
+COc1cc2c(cc1OC)SC(C(=O)CC(O)C1CC[N+](C)(Cc3ccccc3)CC1)C2,CHEMBL187603,6.72
+COc1cc2c(cc1OC)SC(C(=O)CC1(O)CC[N+](C)(Cc3ccccc3)CC1)C2,CHEMBL360832,7.05
+COc1cc2c(cc1OC)SC(C(=O)CC1C=CC[N+](C)(Cc3ccccc3)CC1)C2,CHEMBL186090,6.12
+COc1cc2c(cc1OC)SC(CC1CC[N+](C)(Cc3ccccc3)CC1)C2,CHEMBL187591,4.52
+COC(=O)C[N+]1(C)CCC(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)CC1,CHEMBL188714,7.27
+CCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1,CHEMBL187330,5.59
+COCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1,CHEMBL189774,7.52
+COc1cc2c(cc1OC)SC(C(=O)CCc1cc[n+](Cc3ccccc3)cc1)C2,CHEMBL186042,8.34
+O=C(CCc1cc[n+](Cc2ccccc2)cc1)c1ccc2c(c1)OCO2,CHEMBL363455,6.62
+CN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL338755,9.27
+CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2,CHEMBL536047,10.48
+C/C=C1\C2C=C(C)C[C@]1(N)CC(NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)C2(C)C,CHEMBL208092,7.78
+C/C=C1\C2C=C(C)C[C@]1(C(=O)OC)CC(NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)C2,CHEMBL210453,8.19
+C/C=C1\C2C=C(C)C[C@]1(N)CC(NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)C2,CHEMBL382423,7.8
+CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc(OC)cc1)CCCC3,CHEMBL374184,6.96
+O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL375126,4.32
+O=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21,CHEMBL222752,5.48
+CCN(CCCCCC(=O)N1CCC(C2CCN(C(=O)CCCCCN(CC)Cc3ccccc3OC)CC2)CC1)Cc1ccccc1OC,CHEMBL222904,8.25
+O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2,CHEMBL225567,10.85
+O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2,CHEMBL223443,10.82
+O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2,CHEMBL225326,10.7
+O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc21,CHEMBL433282,6.07
+O=c1c(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c32,CHEMBL235289,6.04
+O=C1C=Cc2ccccc2C1=O,CHEMBL52347,6.49
+CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5,CHEMBL251077,6.37
+C[N+](C)(C)CCOC(=O)Nc1cc(Cl)nc(Cl)c1,CHEMBL254302,4.19
+CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC,CHEMBL231160,8.59
+N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL495711,5.72
+CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL522073,5.2
+N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL496946,4.95
+O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL521874,5.38
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL495712,5.65
+CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL496126,5.48
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL508778,5.1
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2c(nc3ccccc13)CCCC2,CHEMBL496127,4.47
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL502244,6.89
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL525917,6.55
+CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2c(nc3ccccc13)CCCC2)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL504571,7.81
+N[C@@H](CCC(=O)NCCNc1c2c(nc3ccccc13)CCCC2)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL397271,8.21
+O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)[C@@H]1CCCN1CCNc1c2c(nc3ccccc13)CCCC2,CHEMBL451304,8.17
+c1ccc2c(NCCCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3,CHEMBL129108,7.55
+c1ccc2c(NCCc3ccc(CCNc4c5c(nc6ccccc46)CCCC5)cc3)c3c(nc2c1)CCCC3,CHEMBL490660,8.79
+Cc1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1,CHEMBL507438,8.13
+c1ccc2c(NCCc3cocc3CCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3,CHEMBL522286,7.88
+c1cc(CCNc2c3c(nc4ccccc24)CCCC3)nc(CCNc2c3c(nc4ccccc24)CCCC3)c1,CHEMBL521935,9.11
+c1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1,CHEMBL490264,8.76
+c1ccc2c(NCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)c3c(nc2c1)CCCC3,CHEMBL445454,9.87
+OCCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL499224,9.92
+CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL490060,9.79
+CN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL489454,10.925
+CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL451277,9.65
+c1ccc2c(NCCCCNCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3,CHEMBL482512,8.57
+CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCSc1c2c(nc3ccccc13)CCCC2,CHEMBL501587,7.615
+CC(=O)N(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL175949,8.29
+CN(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL175555,8.4
+CC(=O)N(CCCNc1c2c(nc3ccccc13)CCCC2)CCCSc1c2c(nc3ccccc13)CCCC2,CHEMBL179192,7.87
+C=CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL507174,10.07
+CC(C)OP(=O)(F)OC(C)C,CHEMBL1025,5.22
+CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,CHEMBL481,7.3
+CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,CHEMBL360055,4.43
+O=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3,CHEMBL3215768,8.72
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,4.07
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL150,4.03
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,4.42
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL164,4.42
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,4.18
+CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1,CHEMBL590031,4.62
+COC(=O)C1=C(C)OP(=O)(OC)CCC1,CHEMBL592624,4.12
+CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1,CHEMBL603622,6.85
+CN(Cc1ccccc1)Cc1ccc(/C=C2\CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1,CHEMBL599644,7.21
+NC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL590298,4.05
+CNC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL606338,5.03
+CCN(CC)CCNC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL601282,4.79
+CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C,CHEMBL605824,6.09
+O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL589536,4.53
+O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL589563,6.21
+c1cc[n+](CCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL430886,7.61
+c1cc[n+](Cc2ccc3ccc(C[n+]4ccccc4)cc3c2)cc1,CHEMBL1081810,6.85
+CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3,CHEMBL1087194,7.62
+O=C(CC1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O)Nc1ccc(OC(F)(F)F)cc1,CHEMBL187030,6.05
+CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5,CHEMBL558873,6.07
+CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5,CHEMBL564408,6.47
+CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)c1ccccc1)[C@@H]23)OCO5,CHEMBL1221975,6.41
+O=C(O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5)c1ccccc1,CHEMBL1222025,6.27
+CC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)c1ccccc1)[C@@H]23)OCO5,CHEMBL1222026,6.01
+COc1ccc2nc3c(c(N)c2c1)CCCC3,CHEMBL1256415,5.44
+CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1,CHEMBL1642977,7.05
+CC(C)(C)c1cc[n+](/C=C2\C=CC3=CC/C(=C\[n+]4ccc(C(C)(C)C)cc4)C=C3C2)cc1,CHEMBL1642988,7.0
+CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,CHEMBL1200970,4.607
+C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl,CHEMBL1669479,8.26
+c1ccc2c[n+](CCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL1669486,6.11
+c1ccc2c[n+](Cc3ccc4ccc(C[n+]5ccc6ccccc6c5)cc4c3)ccc2c1,CHEMBL1669494,6.01
+c1ccc2c(c1)ccc[n+]2CCCCCCCCCC[n+]1cccc2ccccc21,CHEMBL225577,7.31
+O=C(c1c2ccccc2cc2ccccc12)N1c2ccccc2Sc2ccccc21,CHEMBL392577,8.46
+Clc1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)-c3ccccc3C4)c3c(nc2c1)CCCC3,CHEMBL1819176,9.0
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(CN3CCCC3)cc1)C2,CHEMBL180483,6.59
+COc1ccc([C@H]2Oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc1O,CHEMBL2011402,4.46
+COc1cc([C@H]2Oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)ccc1O,CHEMBL459258,4.17
+COc1c(O)cc(C2Oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc1O,CHEMBL2011403,4.77
+COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)CCC=C(C)C)c3O)O2)cc1O,CHEMBL2011404,4.02
+COc1c(O)cc(C2CC(=O)c3c(cc(O)c(C/C=C(\C)CCC=C(C)C)c3O)O2)cc1O,CHEMBL2011405,4.52
+CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2,CHEMBL223256,5.08
+CCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1,CHEMBL2064465,8.65
+CN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1,CHEMBL2064464,9.46
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccccc2)cc1,CHEMBL2159664,7.33
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccccc2)cc1,CHEMBL2159663,7.09
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc32)cc1,CHEMBL2159662,8.19
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1,CHEMBL2159661,8.03
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1,CHEMBL2159660,7.35
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2ccc3ccccc3c2)cc1,CHEMBL2159659,7.34
+CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2cccc3ccccc32)cc1,CHEMBL2159658,7.28
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCC[n+]2cccc3ccccc32)cc1,CHEMBL2159657,6.91
+CN(C)c1cc[n+](CCCCOc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1,CHEMBL2159656,6.7
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1,CHEMBL2158019,5.84
+O=c1c(Cl)c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,CHEMBL2297982,5.54
+CSc1cccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(F)c(F)c3)S2)c1,CHEMBL2297981,6.89
+O=C(Nc1ccc(OC(F)(F)F)cc1)OC1CN(C(c2ccccc2)c2ccccc2)C1,CHEMBL2297980,7.64
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCCO2,CHEMBL1720480,7.02
+O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1Cl,CHEMBL2297979,7.32
+Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NC1CCN(Cc2ccccc2)CC1,CHEMBL2297978,7.67
+COc1ccc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC,CHEMBL1711540,7.26
+O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CCc2ccccc2)CC1,CHEMBL2297977,6.62
+N=C(NOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1ccc(Cl)cc1,CHEMBL2297976,5.63
+CC(C)(C)c1ccc(C(=N)NOC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)cc1,CHEMBL2297975,6.28
+N=C(NOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1,CHEMBL2297985,5.68
+CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1,CHEMBL2297984,7.21
+O=[N+]([O-])c1ccc(OCC(O)CN2CCCN(c3nc4ccc(Cl)cc4s3)CC2)cc1,CHEMBL2297983,6.58
+COc1cc2c(cc1OC)C(=O)C(Cc1ccc(CN3CCCCC3)cc1)C2,CHEMBL515394,7.13
+COc1cc2c(cc1OC)C(=O)C(Cc1cccc(CN3CCCCC3)c1)C2,CHEMBL472776,7.23
+COc1cc2c(cc1OC)C(=O)C(Cc1ccc(CN3CCCC3)cc1)C2,CHEMBL473962,6.11
+COc1cc2c(cc1OC)C(=O)C(Cc1cccc(CN3CCCC3)c1)C2,CHEMBL473767,7.65
+CCN(CC)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1,CHEMBL472814,5.98
+CCN(CC)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1,CHEMBL472813,7.66
+CCN(C)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1,CHEMBL474190,6.04
+CCN(C)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1,CHEMBL515891,6.3
+COc1cc2c(cc1OC)C(=O)C(Cc1ccc(CN(C)C)cc1)C2,CHEMBL474578,6.79
+COc1cc2c(cc1OC)C(=O)C(Cc1cccc(CN(C)C)c1)C2,CHEMBL474577,6.28
+COc1cc2c(cc1OC)=C(O)/C(=C/c1ccc(CN3CCCCC3)cc1)C=2,CHEMBL514186,7.02
+COc1cc2c(cc1OC)=C(O)/C(=C/c1cccc(CN3CCCCC3)c1)C=2,CHEMBL475161,7.15
+COc1cc2c(cc1OC)=C(O)/C(=C/c1ccc(CN3CCCC3)cc1)C=2,CHEMBL465028,6.7
+COc1cc2c(cc1OC)=C(O)/C(=C/c1cccc(CN3CCCC3)c1)C=2,CHEMBL465027,6.9
+CCN(CC)Cc1ccc(/C=C2\C=c3cc(OC)c(OC)cc3=C2O)cc1,CHEMBL464427,6.34
+CCN(CC)Cc1cccc(/C=C2\C=c3cc(OC)c(OC)cc3=C2O)c1,CHEMBL518399,6.63
+CCN(C)Cc1ccc(/C=C2\C=c3cc(OC)c(OC)cc3=C2O)cc1,CHEMBL464024,6.04
+CCN(C)Cc1cccc(/C=C2\C=c3cc(OC)c(OC)cc3=C2O)c1,CHEMBL463279,6.63
+COc1cc2c(cc1OC)=C(O)/C(=C/c1ccc(CN(C)C)cc1)C=2,CHEMBL462873,6.21
+COc1cc2c(cc1OC)=C(O)/C(=C/c1cccc(CN(C)C)c1)C=2,CHEMBL462872,7.21
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(C(C)N3CCN(C)CC3)cc1)C2,CHEMBL361540,6.64
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(CN3CCN(C)CC3)cc1)C2,CHEMBL360570,7.16
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(C(C)N3CCN(C)CC3)c1)C2,CHEMBL181207,7.11
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(CN3CCN(C)CC3)c1)C2,CHEMBL264242,7.21
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(C(C)N3CCOCC3)cc1)C2,CHEMBL361309,6.66
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(CN3CCOCC3)cc1)C2,CHEMBL179824,6.29
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(C(C)N3CCOCC3)c1)C2,CHEMBL183184,6.93
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(CN3CCOCC3)c1)C2,CHEMBL182251,6.1
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(C(C)N3CCCCC3)cc1)C2,CHEMBL180413,6.97
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(CN3CCCCC3)cc1)C2,CHEMBL180145,6.39
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(C(C)N3CCCCC3)c1)C2,CHEMBL362238,7.42
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(CN3CCCCC3)c1)C2,CHEMBL181216,6.57
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(C(C)N3CCCC3)cc1)C2,CHEMBL180442,6.39
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(C(C)N3CCCC3)c1)C2,CHEMBL182252,6.86
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(CN3CCCC3)c1)C2,CHEMBL362583,6.3
+CCN(CC)C(C)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1,CHEMBL181125,5.88
+CCN(CC)Cc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1,CHEMBL180437,5.87
+CCN(CC)C(C)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1,CHEMBL180640,6.06
+CCN(CC)Cc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1,CHEMBL180645,5.8
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(C(C)N(C)C)cc1)C2,CHEMBL178152,6.26
+COc1cc2c(cc1OC)C(=O)C(Oc1ccc(CN(C)C)cc1)C2,CHEMBL435897,6.68
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(C(C)N(C)C)c1)C2,CHEMBL541980,6.4
+COc1cc2c(cc1OC)C(=O)C(Oc1cccc(CN(C)C)c1)C2,CHEMBL181310,6.0
+CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O,CHEMBL518543,5.51
+CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2OC(C(C)(C)O)C4)O1,CHEMBL1770314,5.51
+CC(C)=CC1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4,CHEMBL1770313,5.51
+CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CHEMBL1719948,5.51
+CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CHEMBL464006,5.51
+CC(C)=CCC/C(C)=C/Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O,CHEMBL1096939,5.51
+COc1cc(O)c(C2CC(=O)c3c(O)cc(O)cc3O2)cc1C/C=C(\C)CCC=C(C)C,CHEMBL2297276,5.51
+CC(C)=CCC/C(C)=C/Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(O)cc1O,CHEMBL2297277,5.51
+COc1cc(O)c(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1C/C=C(\C)CCC=C(C)C,CHEMBL2297278,5.51
+COc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1,CHEMBL2312576,7.6
+O=[N+]([O-])c1cccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)c1,CHEMBL2312575,7.69
+c1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)nc1,CHEMBL2312574,7.38
+Oc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)c(O)c1,CHEMBL2312573,8.14
+Oc1ccccc1[C@@H]1CC(c2c3ccccc3cc3ccccc23)=NN1,CHEMBL2312285,7.61
+c1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1,CHEMBL2312284,7.52
+Clc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1,CHEMBL2312282,7.52
+CCOc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL2323356,4.185
+COc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL2323355,4.71
+c1cc[n+](CCCCCCCCCCCC[n+]2cccc3ccccc32)cc1,CHEMBL3093804,7.85
+c1cc[n+](CCCCCCCCCC[n+]2cccc3ccccc32)cc1,CHEMBL3093802,6.4
+CN(CCCCNc1c2c(nc3c(NC(=O)CNC(=O)CC[C@H](NC(=O)CNC(=O)OCc4ccccc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)OCc4ccccc4)cccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL3099500,8.83
+CN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3c(NC(=O)CNC(=O)CC[C@H](NC(=O)CNC(=O)OCc4ccccc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)OCc4ccccc4)cccc13)CCCC2,CHEMBL3099499,8.3
+O=C(CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)NCC(=O)Nc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3,CHEMBL3099498,8.72
+Nc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3,CHEMBL3099497,9.64
+O=[N+]([O-])c1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3,CHEMBL3099496,9.11
+CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccc(F)cc3)C2=O)[C@@]12C(=O)Nc1ccccc12,CHEMBL3115037,5.7
+CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3,CHEMBL3122167,7.165
+CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3,CHEMBL3122149,5.87
+CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)c3[C@H](C1)C2,CHEMBL3233832,8.525
+O=C(/C=N/O)NCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL3235215,5.21
+O=C(/C=N/O)NCCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL3235216,5.83
+N#C/C(=N\O)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL3235217,5.51
+O=C(/C=N/O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2,CHEMBL3235218,6.23
+O=C(/C=N/O)c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1,CHEMBL3235221,4.51
+O=C(/C=N/O)c1cnc(OCC2CCN(Cc3ccccc3)CC2)nc1,CHEMBL3235227,4.26
+CN(C)CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1,CHEMBL2158994,5.275
+O=C(NCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O,CHEMBL3327249,7.11
+COc1cc2cc(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2cc1OC,CHEMBL3327248,7.04
+Cc1ccc2oc(=O)c(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3327247,7.18
+COc1ccc2oc(=O)c(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3327246,7.29
+COc1ccc2cc(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2c1,CHEMBL3326711,7.26
+O=C(NCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2ccccc2oc1=O,CHEMBL3326710,7.37
+O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O,CHEMBL3326709,7.22
+COc1cc2cc(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2cc1OC,CHEMBL3326708,7.25
+Cc1ccc2oc(=O)c(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3326707,7.52
+COc1ccc2oc(=O)c(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3326706,7.61
+COc1ccc2cc(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2c1,CHEMBL3326705,7.51
+O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2ccccc2oc1=O,CHEMBL3326704,7.78
+O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O,CHEMBL3326703,7.12
+COc1cc2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2cc1OC,CHEMBL3326702,7.15
+Cc1ccc2oc(=O)c(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3326701,7.45
+COc1ccc2oc(=O)c(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3326700,7.4
+COc1ccc2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2c1,CHEMBL3326699,7.35
+O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2ccccc2oc1=O,CHEMBL3326698,7.46
+CCN(CCC(=O)NCCCNc1c2c(nc3ccccc13)CCCC2)C1CCCCC1,CHEMBL3322141,7.095
+CCN(CCC(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCCCC1,CHEMBL3322142,6.59
+CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(O)C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C,CHEMBL3586199,5.6
+C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)CCc4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2,CHEMBL3586200,5.1
+CCCC[C@@H](O)/C=C/C=C/C(=O)O,CHEMBL3586207,5.93
+COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1,CHEMBL3585778,10.64
+COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3585779,10.98
+COc1ccccc1C(C)NS(N)(=O)=O,CHEMBL3585780,10.42
+CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1,CHEMBL3621333,7.3
+CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])c1=O)Cc1ccccc1[N+](=O)[O-],CHEMBL3621322,10.1
+Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2,CHEMBL3632994,7.31
+c1ccc2oc(CNCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1,CHEMBL3752467,9.06
+COc1cccc2c1CC[C@H](NC(=O)N(C)C)C2,CHEMBL3786651,9.01
+COc1ccc2c(c1)CCC(NC(=O)N(C)C)C2,CHEMBL3786516,9.17
+COc1ccc2c(c1)C[C@@H](NC(=O)N(C)C)CC2,CHEMBL3787502,8.97
+COc1cccc2c1CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3785269,9.35
+COc1ccc2c(c1)CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3787223,8.98
+COc1ccc2c(c1)CC(NS(=O)(=O)N(C)C)CC2,CHEMBL3786448,9.08
+CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1,CHEMBL3786937,8.8
+CN(C)C(=O)NC1CCc2cc(O)ccc2C1,CHEMBL3785391,8.88
+CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1,CHEMBL3785207,8.76
+CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1,CHEMBL3786873,8.87
+CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1,CHEMBL3786442,8.91
+CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1,CHEMBL3786719,9.14
+O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O,CHEMBL489354,5.36
+O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O,CHEMBL524100,5.23
+COc1cc2c(cc1O)=C(O)/C(=C/C1CCN(Cc3ccccc3)CC1)C=2,CHEMBL3818415,5.55
+COc1cc2c(cc1O)=C/C(=C\C1CCN(Cc3ccccc3)CC1)C=2O,CHEMBL3819155,5.55
+OC1=c2cc(O)ccc2=C/C1=C\C1CCN(Cc2ccccc2)CC1,CHEMBL3818230,5.37
+O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2cccc(O)c21,CHEMBL3818616,6.45
+OC1=c2ccc(O)cc2=C/C1=C\C1CCN(Cc2ccccc2)CC1,CHEMBL3819646,5.7
+COc1cc2c(cc1OC)=C(O)/C(=C/C1CCN(Cc3ccccc3)CC1)C=2,CHEMBL168938,7.46
+COc1ccc2c(c1)=C(O)/C(=C/C1CCN(Cc3ccccc3)CC1)C=2,CHEMBL3819220,6.59
+COc1cccc2c1=C(O)/C(=C/C1CCN(Cc3ccccc3)CC1)C=2,CHEMBL3818167,5.74
+COc1ccc2c(c1)=C/C(=C\C1CCN(Cc3ccccc3)CC1)C=2O,CHEMBL3818084,7.54
+OC1=c2cc3c(cc2=C/C1=C\C1CCN(Cc2ccccc2)CC1)OCO3,CHEMBL3818801,6.01
+COc1cccc(CN2CCC(/C=C3\C=c4cc(OC)ccc4=C3O)CC2)c1,CHEMBL3819531,6.26
+COc1cccc(CN2CCC(/C=C3\C=c4cccc(OC)c4=C3O)CC2)c1,CHEMBL3819574,4.76
+COc1ccc2c(c1)=C(O)/C(=C/C1CCN(Cc3ccc4c(c3)OCO4)CC1)C=2,CHEMBL3819247,4.4
+COc1cccc2c1=C(O)/C(=C/C1CCN(Cc3ccc4c(c3)OCO4)CC1)C=2,CHEMBL3818918,4.74
diff --git a/chembl_200/CHEMBL222.csv b/chembl_200/CHEMBL222.csv
new file mode 100644
index 0000000000000000000000000000000000000000..868fc6b7255c78f2515b6a59d02a615361b32d9a
--- /dev/null
+++ b/chembl_200/CHEMBL222.csv
@@ -0,0 +1,1335 @@
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21,CHEMBL130477,7.74
+CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL417049,7.54
+c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL26320,6.2
+Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL67024,7.1
+CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL443797,7.38
+c1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL421867,6.92
+Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL66112,6.82
+c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL63703,6.74
+c1ccc(CCCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67203,7.64
+c1ccc(CCCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67078,7.39
+Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL417035,6.72
+CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1,CHEMBL69380,6.96
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,5.2
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,8.35
+OC1(c2ccc3c(c2)OCO3)c2ccccc2C2=NCCCN21,CHEMBL544370,8.06
+COC(=O)C1C(c2ccc(O)c(O)c2)CC2CCC1N2C,CHEMBL132683,5.52
+COC(=O)C1C(c2ccc(OC)c(OC)c2)CC2CCC1N2C,CHEMBL335423,5.35
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.49
+COc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL6310,5.0
+CNCCC(Oc1cccc2ccccc12)c1cccc(OC)c1,CHEMBL337791,7.09
+CNCCC(Oc1cccc2ccccc12)c1ccc(Br)cc1,CHEMBL139168,6.8
+CNCCC(Oc1cccc2ccccc12)c1nccs1,CHEMBL138031,7.26
+CNCCC(Oc1cccc2ccccc12)c1cccc(C)c1,CHEMBL139277,7.4
+CNCCC(Oc1cccc2ccccc12)c1cccc(C(F)(F)F)c1,CHEMBL141974,7.15
+CNCCC(Oc1cccc2ccccc12)c1ccccc1,CHEMBL141681,7.7
+CNCCC(Oc1cccc2ccccc12)c1cccc(Br)c1,CHEMBL337798,7.17
+CNCCC(Oc1cccc2ccccc12)c1ccc(Cl)cc1,CHEMBL139245,7.11
+CNCCC(Oc1cccc2ccccc12)c1ccsc1,CHEMBL142028,7.68
+CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1,CHEMBL342716,7.38
+CNCCC(Oc1cccc2ccccc12)c1cccs1,CHEMBL424660,7.7
+CNCCC(Oc1cccc2ccccc12)c1ccco1,CHEMBL337822,7.7
+CNCCC(Oc1cccc2ccccc12)c1ccc(C)cc1,CHEMBL141114,7.44
+CNCCC(Oc1cccc2ccccc12)c1ccccc1C,CHEMBL141741,6.96
+CNCCC(Oc1cccc2ccccc12)c1ccc(OC)cc1,CHEMBL415244,7.13
+CN1C2CCC1C(C(=O)NCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL432727,6.48
+CN1C2CCC1C(C(=O)NCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL407803,5.68
+CN1C2CCC1C(C(=O)NCCCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL307314,6.08
+CN1C2CCC1C(C(=O)NCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL303266,5.53
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL306208,7.43
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,7.74
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21,CHEMBL334577,8.28
+OC1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL340281,8.28
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL133646,7.48
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21,CHEMBL337020,6.16
+OC1(c2ccc3ccccc3c2)c2ccccc2C2=NCCN21,CHEMBL132676,7.96
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.01
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL324269,6.41
+CNCC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL331799,6.58
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1,CHEMBL419385,7.3
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL432022,6.5
+COc1ccc2cc([C@H]3C4CCC(C4)[C@@H]3CN(C)C)ccc2c1,CHEMBL323678,7.17
+CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1,CHEMBL113136,7.29
+CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1,CHEMBL109517,6.83
+CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12,CHEMBL323447,6.74
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1,CHEMBL322348,6.92
+CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL109571,6.95
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL111128,7.0
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL326466,6.82
+CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1,CHEMBL322067,7.36
+c1ccc(CC(c2ccccc2)c2ccncc2)cc1,CHEMBL342055,6.41
+c1ccc(C(c2ccccc2)c2ccccn2)cc1,CHEMBL347772,5.26
+c1ccc(C(c2ccccc2)c2ccncc2)cc1,CHEMBL150045,5.46
+c1ccc(C(c2ccccc2)c2cccnc2)cc1,CHEMBL149246,5.14
+CC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344513,6.665
+CC(C)N(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344110,5.965
+CCN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL147983,7.435
+CC(C)(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL145940,5.85
+CN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL343211,5.675
+CCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL147040,6.71
+CC(C)N(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL356981,6.485
+CCCN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL146615,6.235
+CN([C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)C(C)(C)C,CHEMBL148104,6.18
+CC(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL424496,5.64
+CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL147950,6.945
+CCCN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL146042,7.075
+CCCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344116,6.295
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL341898,7.74
+CC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL359025,7.04
+CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(I)cc21,CHEMBL1202031,5.67
+CCN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL356552,6.77
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL2079586,6.25
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,7.06
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.01
+CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1,CHEMBL332098,5.33
+CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1,CHEMBL324967,4.74
+CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1,CHEMBL332097,4.01
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,5.52
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,6.93
+COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,CHEMBL294733,5.87
+COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL67387,5.98
+Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL121611,7.09
+O=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL122859,5.15
+CN(CCCc1ccccc1)CCCN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL123252,7.52
+O=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL420900,6.32
+O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL333667,6.22
+CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1,CHEMBL122452,6.71
+O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112594,6.26
+CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1,CHEMBL121027,6.43
+CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL121460,6.58
+O=C(Cc1ccc(F)cc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL123830,6.07
+O=C(CCc1ccc(Br)cc1)NCC=NCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112595,5.75
+O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1,CHEMBL124222,5.23
+CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N,CHEMBL104673,5.92
+COc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL107077,5.7
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N,CHEMBL432394,6.64
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO,CHEMBL278165,7.46
+CN(C)Cc1ccccc1Sc1ccc(I)cc1CO,CHEMBL114275,6.63
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,6.395
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL11,7.8
+c1ccc2c(c1)Cc1ccccc1C21CCNC1,CHEMBL307956,5.0
+C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL417249,5.23
+Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1,CHEMBL440272,5.32
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12227,5.45
+CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL11493,5.88
+O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084927,6.24
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12375,5.68
+CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL894,5.16
+COC(=O)C1C2CCC(CC1c1ccc(/C=C\I)cc1)N2,CHEMBL428706,7.72
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL14144,6.62
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,5.435
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,8.12
+COC(=O)C1C(c2ccc(/C=C\Br)cc2)CC2CCC1N2C,CHEMBL14305,6.95
+COC(=O)C1C(c2ccc(/C=C\I)cc2)CC2CCC1N2C,CHEMBL275212,6.35
+COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2,CHEMBL14257,8.25
+COC(=O)C1C(c2ccc(C=C(Br)Br)cc2)CC2CCC1N2C,CHEMBL14924,6.79
+COC(=O)C1C2CCC(CC1c1ccc(/C=C\Br)cc1)N2,CHEMBL14531,8.6
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C\I)cc1)N2,CHEMBL174088,7.62
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C/I)cc1)N2,CHEMBL173427,7.49
+OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21,CHEMBL336100,9.05
+Oc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL130668,6.42
+COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1,CHEMBL336940,8.17
+COc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL133043,7.08
+OC1(c2ccccc2)c2ccccc2C2=NCCN21,CHEMBL133902,7.0
+OC1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21,CHEMBL132955,7.4
+COc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132082,7.64
+COc1cccc2c1C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132954,7.64
+Clc1ccc(C2c3ccccc3C3=NCCN32)cc1,CHEMBL336613,6.77
+CN(C)Cc1ccccc1Sc1ccc(I)cc1N,CHEMBL23034,6.063
+Cc1cc(N)c(Sc2ccccc2CN(C)C)cc1F,CHEMBL192824,5.15
+CN(C)Cc1ccccc1Sc1ccc(F)cc1N,CHEMBL190860,6.85
+CN(C)Cc1ccccc1Sc1ccc(CO)cc1N,CHEMBL190937,6.38
+CN(C)Cc1ccccc1Sc1ccc(CF)cc1N,CHEMBL143707,6.18
+CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N,CHEMBL363396,6.48
+Cc1ccc(Sc2ccccc2CN)c(N)c1,CHEMBL366170,5.35
+CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL192619,5.12
+Cc1ccc(Sc2ccccc2CNCCF)c(N)c1,CHEMBL192528,5.41
+Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1,CHEMBL195585,5.36
+C=CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL365812,5.42
+CN(C)Cc1ccccc1Oc1ccc(I)cc1CO,CHEMBL183470,7.7
+CN(C)Cc1ccccc1Oc1ccc(I)cc1N,CHEMBL186962,6.54
+CN(C)Cc1ccccc1Cc1ccc(I)cc1N,CHEMBL186056,7.77
+CN(C)Cc1ccccc1Sc1ccccc1N,CHEMBL190700,8.31
+C=Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL190703,6.57
+CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL189367,6.43
+CN(C)Cc1ccccc1Sc1ccc(CCO)cc1N,CHEMBL187935,6.71
+CN(C)Cc1ccccc1Sc1ccc(CCCO)cc1N,CHEMBL413562,6.97
+CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-],CHEMBL2113055,7.43
+CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-],CHEMBL2113054,6.72
+CCc1ccc(Sc2ccccc2CNC)c(N)c1,CHEMBL189375,6.35
+CNCc1ccccc1Sc1ccc(CO)cc1N,CHEMBL362783,6.32
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL196468,5.34
+CNCCC1Cc2ccccc2N(c2ccccc2)C1=O,CHEMBL194310,7.345
+CNCCCC1Cc2ccccc2N(c2cccc(F)c2)C1=O,CHEMBL196368,7.74
+CNCCCC1Cc2ccccc2N(c2cccc(Cl)c2)C1=O,CHEMBL194574,7.1
+CNCCCC1(C)Cc2ccccc2N(c2ccccc2)C1=O,CHEMBL194205,7.36
+CNCCCC1(C)Cc2ccccc2N(c2cccc(C)c2)C1=O,CHEMBL370063,6.84
+CNCCCC1Cc2ccccc2N(c2ccc(F)cc2)C1=O,CHEMBL194907,7.04
+CNCCCC1Cc2ccccc2N(c2ccc(Cl)cc2)C1=O,CHEMBL197643,7.68
+CNCCCC1Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL198033,8.52
+CCc1ccc(N2C(=O)C(CCCNC)Cc3ccccc32)cc1,CHEMBL198038,6.82
+CNCCCC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O,CHEMBL372318,5.84
+CNCCCC1(C)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL198176,8.05
+CNCCCC1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O,CHEMBL198275,7.21
+CNCCCC1(C)Cc2ccccc2N(c2ccc(F)c(F)c2)C1=O,CHEMBL198011,7.11
+CNCCCC1(C)Cc2ccccc2N(c2cc(F)cc(F)c2)C1=O,CHEMBL198706,6.78
+CCC1(CCCNC)Cc2ccccc2N(c2ccccc2)C1=O,CHEMBL197960,8.0
+CCCC1(CCCNC)Cc2ccccc2N(c2ccccc2)C1=O,CHEMBL198960,8.15
+CCC1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL196751,7.77
+CCCC1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL199116,7.96
+CNCCCC1(C(C)C)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL438450,6.82
+CCCCC1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL196110,8.1
+CNCCCC1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O,CHEMBL194781,8.3
+CNCCCC1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O,CHEMBL373233,8.22
+CNCCCC1(C)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O,CHEMBL198215,7.37
+CCC1(CCCNC)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O,CHEMBL199093,7.33
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL42553,8.3
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOC(=O)C4C(c5ccc(Cl)c(Cl)c5)CC5CCC4N5C)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL372378,6.75
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCN4C5CCC4C(C(=O)OC)C(c4ccc(Cl)c(Cl)c4)C5)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL196760,6.82
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCC4CCC(C(=O)NCCN5C6CCC5C(C(=O)OC)C(c5ccc(Cl)c(Cl)c5)C6)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL216773,6.2
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3350391,5.74
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085018,5.08
+NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085023,5.45
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085031,5.61
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3085030,5.79
+CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085029,5.53
+C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085028,5.25
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1,CHEMBL3085027,6.0
+CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C,CHEMBL3085033,5.08
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3085032,6.59
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL3085025,5.5
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3085024,5.12
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,5.16
+CCCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL201960,6.71
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1,CHEMBL204288,5.63
+CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL205028,5.38
+C#CCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL2113217,5.39
+C=CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL202348,6.29
+C=CCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL202410,5.85
+Cc1ccc(C(=O)C(CC(C)C)N2CCCC2)cc1,CHEMBL202409,6.59
+CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL201978,6.58
+CCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1,CHEMBL369997,6.43
+CCCC(C(=O)c1ccc(-c2ccco2)cc1)N1CCCC1,CHEMBL201976,7.02
+CCCC(C(=O)c1ccc(O)c(O)c1)N1CCCC1,CHEMBL202846,6.66
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL203488,7.42
+CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1,CHEMBL204759,6.87
+CCCC(C(=O)c1cccc(C)c1)N1CCCC1,CHEMBL204254,6.67
+CCCC(C(=O)c1ccccc1C)N1CCCC1,CHEMBL203403,6.37
+CC#Cc1ccc(C(=O)C(CCC)N2CCCC2)cc1,CHEMBL204538,7.16
+CCCC(C(=O)c1ccc(NC(C)=O)cc1)N1CCCC1,CHEMBL379679,5.4
+CCCC(C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1,CHEMBL201666,5.94
+CCCC(C(=O)c1ccc(OC)cc1)N1CCCC1,CHEMBL381127,5.59
+CCCC(C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1,CHEMBL379446,5.57
+CCCC(C(=O)c1ccc(O)cc1)N1CCCC1,CHEMBL203563,5.89
+CCCC(C(=O)c1ccc(CO)cc1)N1CCCC1,CHEMBL203562,6.82
+CCCC(C(=O)c1cccc(I)c1)N1CCCC1,CHEMBL426304,6.17
+CCCC(C(=O)c1ccc(I)cc1)N1CCCC1,CHEMBL202479,6.51
+CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1,CHEMBL202420,6.41
+CCCC(C(=O)c1ccc(F)cc1)N1CCCC1,CHEMBL203640,6.08
+CCCC(C(=O)c1ccccc1)N1CCCC1,CHEMBL205082,6.7
+CCC[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL372312,6.96
+Fc1ccc(C(OCCC2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL206128,6.44
+Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL381256,6.02
+Fc1ccc(C(OCCC2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1,CHEMBL205005,7.37
+C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL424682,6.25
+O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL205025,6.36
+O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL383682,6.48
+O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL383745,6.68
+C[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL202644,6.61
+C[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL444540,6.99
+N[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL381842,6.27
+N[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL204814,6.215
+O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL383464,6.13
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL380406,6.44
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL204586,6.31
+O[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL382783,6.11
+O[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL204574,8.43
+O[C@](Cc1ccccc1SC(F)(F)F)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL206007,7.26
+CC(C)Oc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL382034,8.11
+CCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL208993,8.28
+O[C@](Cc1ccccc1Br)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL206521,7.92
+O[C@](Cc1ccccc1Cl)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL207713,7.52
+O[C@](Cc1ccccc1)(c1ccccc1)[C@@H]1CNCCO1,CHEMBL207712,6.83
+CC(C)CN(Cc1ccccc1)C1CCNCC1,CHEMBL207837,7.04
+Cc1ccc(CN(CC(C)C)C2CCNCC2)cc1,CHEMBL380191,7.16
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.29
+CN1CCCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2,CHEMBL380056,5.97
+CN1C2CCC1C1COC(=O)CCC3(CCC(=O)Nc4ccc(cc4)C1C2)c1ccccc1-c1ccccc13,CHEMBL378483,6.31
+CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL378243,6.3
+CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2,CHEMBL379333,6.15
+CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL379755,5.94
+CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL211372,5.85
+CN1C2CCC1C1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL385359,5.82
+CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL214209,7.7
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C,CHEMBL1790051,6.257999999999999
+FC(F)(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL375131,7.11
+CCCOc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL213754,7.51
+C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL377785,7.76
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL215236,7.89
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL383873,7.9
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL216015,7.59
+C=C1CN2C3CCC2C1C(c1ccc(I)cc1)C3,CHEMBL380383,8.23
+C=C1CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL378536,8.32
+C=C1CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL212452,8.53
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/I)c1)N2,CHEMBL216736,6.99
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/Br)c1)N2,CHEMBL385173,7.5
+COC(=O)C(c1ccccc1)C1CCCCN1,CHEMBL796,6.325
+CC(C)C(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL218848,6.09
+Clc1ccc(C(CCCc2ccccc2)C2CCCCN2)cc1,CHEMBL441864,6.065
+Clc1ccc(C(CCc2ccccc2)C2CCCCN2)cc1,CHEMBL219281,5.68
+Clc1ccc(C(Cc2ccccc2)C2CCCCN2)cc1,CHEMBL373773,5.47
+Clc1ccc(C(CC2CCCCC2)C2CCCCN2)cc1,CHEMBL219707,5.375
+Clc1ccc(C(CC2CCCC2)C2CCCCN2)cc1,CHEMBL219653,5.68
+CC(=O)C(c1ccccc1)C1CCCCN1,CHEMBL219540,5.57
+CC(C)CC(c1ccc(C(C)C)cc1)C1CCCCN1,CHEMBL218193,5.545
+COc1cccc(C(CC(C)C)C2CCCCN2)c1,CHEMBL217975,5.17
+CCCCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1,CHEMBL374634,7.715
+N#Cc1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,CHEMBL218997,7.385
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=N)N)cc(C(C)=O)c1,CHEMBL220766,6.41
+CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL384649,5.03
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1,CHEMBL383879,5.86
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(C(C)=O)c1,CHEMBL386493,5.98
+C#CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL220765,6.28
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1,CHEMBL220713,6.5
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(C(C)=O)c1,CHEMBL385607,5.3
+CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL376737,6.42
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(C(C)=O)c1,CHEMBL384199,6.3
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(C(C)=O)c1,CHEMBL218568,5.86
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL218262,6.06
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL386073,5.83
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1,CHEMBL220801,5.74
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221903,5.91
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1,CHEMBL220819,5.46
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221067,5.38
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C)c1,CHEMBL218174,6.59
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(C(C)=O)c1,CHEMBL217987,7.02
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1,CHEMBL219048,6.63
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,CHEMBL218581,7.41
+COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)CC2CC[C@H]1N2C,CHEMBL221993,5.71
+COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC2CC[C@H]1N2C,CHEMBL374712,6.55
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL2096861,5.95
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL2096860,6.34
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL2096859,6.87
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL2096858,6.65
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C,CHEMBL2096857,5.36
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C,CHEMBL373385,6.8
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C,CHEMBL375889,7.49
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)N2C,CHEMBL224819,7.79
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)N2C,CHEMBL375888,8.51
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)N2C,CHEMBL222705,6.13
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)N2C,CHEMBL376899,6.57
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL218082,7.64
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL610897,7.66
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(F)cc2)N3C)cc1,CHEMBL225235,7.21
+COc1ccc([C@@H]2C3CCC(C[C@H]2c2ccc(C)cc2)N3C)cc1OC,CHEMBL388825,4.34
+COc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1OC,CHEMBL388605,5.22
+COc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL224062,6.72
+Cc1ccc([C@H]2C3CCC(C[C@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL426178,5.11
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2096877,6.41
+Cc1ccc([C@H]2C3CCC(C[C@H]2c2ccccc2)N3C)cc1,CHEMBL2096876,5.55
+Cc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccccc2)N3C)cc1,CHEMBL387758,5.43
+Cc1ccc([C@@H]2CC3CCC([C@@H]2c2ccccc2)N3C)cc1,CHEMBL2096875,5.53
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccccc2)N3C)cc1,CHEMBL224771,6.55
+CN1C2CCC1[C@H](c1ccccc1)[C@H](c1ccccc1)C2,CHEMBL2096874,6.2
+CN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2,CHEMBL388850,6.26
+COc1ccc(F)cc1C[C@](O)(C1CCCC1)[C@@H]1CNCCO1,CHEMBL426743,7.97
+CNC[C@@H](O)CN1c2ccccc2CCc2ccccc21,CHEMBL223058,8.08
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227179,5.74
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL2113279,5.86
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL226933,5.44
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1,CHEMBL226984,6.0
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1,CHEMBL229436,5.71
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)N3C)cc1,CHEMBL436132,5.66
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Br)cc4)s2)N3C)cc1,CHEMBL375685,5.37
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1,CHEMBL229381,5.54
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)N3C)cc1,CHEMBL229699,5.79
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL388832,5.72
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)c(Cl)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388612,5.64
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL227233,5.9
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc([N+](=O)[O-])c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388760,5.6
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc([N+](=O)[O-])cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227232,5.64
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc(Br)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227231,5.6
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Br)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388759,5.48
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227180,5.57
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL390743,5.77
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2,CHEMBL391864,8.75
+C#Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394158,8.73
+C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394157,8.33
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2,CHEMBL398370,8.7
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2,CHEMBL235569,8.31
+COC(=O)C1=C(c2ccc3ccccc3c2)CCCCC1,CHEMBL434959,4.17
+COC(=O)C1=C(c2cccc(Cl)c2)CCCCC1,CHEMBL396318,4.07
+COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCCC1,CHEMBL395910,5.08
+COC(=O)C1=C(c2ccc3ccccc3c2)CCC1,CHEMBL396082,4.5
+COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL245061,4.823
+COC(=O)c1ccccc1-c1ccc2ccccc2c1,CHEMBL103936,4.33
+CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCNC1,CHEMBL396754,5.0
+CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL243141,5.6
+CCOC(=O)C1=C(c2ccc3ccccc3c2)CCNC1,CHEMBL388257,6.57
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1,CHEMBL242920,5.64
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1,CHEMBL215988,6.07
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccccc1,CHEMBL388255,4.44
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccccc1,CHEMBL243204,4.45
+COC(=O)C1=C(c2ccc(C(C)(C)C)cc2)CCCCC1,CHEMBL232663,4.21
+COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(C(C)(C)C)cc1,CHEMBL234379,4.03
+COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(-c2ccccc2)cc1,CHEMBL231684,4.29
+O=C(OCCF)C1C2CCC(CC1c1ccc(/C=C\I)cc1)N2,CHEMBL230000,7.55
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236046,6.54
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL237512,6.6
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL391074,7.02
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL391947,6.62
+CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N,CHEMBL238867,8.12
+CN(C)Cc1cc(O)ccc1Sc1ccccc1N,CHEMBL241228,7.48
+COc1ccc(Sc2ccccc2N)c(CN(C)C)c1,CHEMBL241648,7.85
+CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N,CHEMBL397889,6.55
+CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N,CHEMBL241647,8.15
+CN(C)Cc1cc(OCCO)ccc1Sc1ccc(F)cc1N,CHEMBL241646,7.25
+CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N,CHEMBL396402,7.96
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N,CHEMBL239301,7.02
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N,CHEMBL393625,7.92
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N,CHEMBL239297,6.94
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N,CHEMBL239079,7.01
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N,CHEMBL238868,7.43
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL395368,6.93
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL395609,6.92
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL246955,6.97
+CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL438490,6.7
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,6.34
+O=C(OCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL248825,4.21
+O=C(OCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL403571,4.38
+Cc1ccccc1OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL403570,4.48
+O=C(Oc1ccccc1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401071,4.07
+O=C(OCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401070,5.24
+O=C(OCCO)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL249214,5.05
+CC(C)OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401069,4.59
+O=C(NCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399429,4.92
+O=C(NCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL428408,4.74
+CONC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399228,5.04
+O=C(NCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL398559,5.1
+O=C(NC1CCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL402924,4.3
+CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C,CHEMBL249854,5.11
+CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,CHEMBL250689,6.02
+CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N,CHEMBL253182,6.21
+CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N,CHEMBL253387,6.33
+CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N,CHEMBL253184,6.14
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270625,6.28
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL403377,5.24
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL401867,6.12
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL401683,6.33
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272699,6.38
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257909,6.95
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL257738,6.85
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL257221,5.48
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL270607,5.7
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,CHEMBL403148,6.14
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL404247,5.89
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402644,5.49
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL408206,7.09
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL409877,5.32
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL273157,6.33
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270165,5.43
+CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL403441,7.92
+CSc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL272003,8.69
+COC(=O)c1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL270099,8.87
+FCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL411262,8.92
+FCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL411263,9.0
+COc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL181188,9.12
+COC(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL272002,8.88
+CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN,CHEMBL252923,7.07
+Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1,CHEMBL270791,8.0
+CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1,CHEMBL273208,8.0
+CCCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL258291,6.8
+CCCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL258292,6.36
+Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1,CHEMBL403363,7.89
+CNCc1cnc(C)cc1Oc1ccccc1C(C)C,CHEMBL401651,7.09
+Cc1cc(Oc2ccccc2Cl)c(CN(C)C)cn1,CHEMBL401550,6.88
+CNCc1cnc(C)cc1Oc1ccccc1Cl,CHEMBL440584,6.59
+CSc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL405017,7.24
+CNCc1cnc(C)cc1Oc1ccccc1SC,CHEMBL403956,6.63
+Cc1cc(Oc2ccccc2C)c(CN(C)C)cn1,CHEMBL404885,6.71
+CNCc1cnc(C)cc1Oc1ccccc1C,CHEMBL270366,6.02
+CCOc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL429759,6.75
+CCOc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL408329,6.34
+COc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL265951,6.53
+CNCc1cnc(C)cc1Oc1ccccc1OC,CHEMBL262357,6.04
+CCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL436673,7.57
+CCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL261465,6.44
+CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C,CHEMBL256293,7.66
+CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC,CHEMBL403251,7.13
+COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@@H]1CNCCO1,CHEMBL264173,6.74
+COc1cc(Cl)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1,CHEMBL263920,7.8
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1C)[C@@H]1CNCCO1,CHEMBL264174,7.08
+COc1cc(Cl)ccc1O[C@@H](c1ccc(F)cc1)[C@@H]1CNCCO1,CHEMBL409277,7.54
+COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1,CHEMBL264159,8.05
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1F)[C@@H]1CNCCO1,CHEMBL264158,7.66
+COc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL264160,7.55
+COc1cc(C(F)(F)F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL410286,6.8
+COc1cc(Br)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL258713,7.92
+COc1cc(C#N)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL409546,6.68
+Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl,CHEMBL408230,7.77
+c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,CHEMBL258930,6.46
+c1ccc([C@H](Oc2cccc3c2OCC3)[C@@H]2CNCCO2)cc1,CHEMBL411921,7.92
+Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1F,CHEMBL264418,6.89
+Fc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1F,CHEMBL264680,8.0
+Cc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL404956,6.07
+Cc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL427563,7.74
+Fc1ccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c(Cl)c1,CHEMBL260823,6.08
+Fc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL407732,7.92
+COc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL259765,6.21
+COc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260258,8.22
+COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL408868,6.38
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,8.1
+OC1(C(CN2CCNCC2)c2cccc(C(F)(F)F)c2)CCCCC1,CHEMBL470082,7.24
+CN1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1,CHEMBL469475,7.21
+OC1([C@H](CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1,CHEMBL470482,6.93
+OC1([C@@H](CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1,CHEMBL470481,6.26
+OC1(C(CN2CCNCC2)c2cccc(OC(F)(F)F)c2)CCCCC1,CHEMBL469476,6.85
+CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1,CHEMBL469668,7.3
+CN1CCN(C[C@@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1,CHEMBL511959,6.11
+CN1CCN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1,CHEMBL469667,7.04
+CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1,CHEMBL518195,6.38
+OC1([C@H](CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461707,7.77
+OC1([C@@H](CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461706,6.67
+OC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461705,7.74
+CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL511525,7.85
+CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL459852,6.73
+CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL511347,7.34
+OC1(C(CN2CCNCC2)c2ccc(Cl)cc2)CCCCC1,CHEMBL459644,6.14
+CN1CCN(CC(c2ccc(Cl)cc2)C2(O)CCCCC2)CC1,CHEMBL511695,5.91
+OC1(C(CN2CCNCC2)c2cccc(F)c2)CCCCC1,CHEMBL470079,6.43
+CN1CCN(CC(c2cccc(F)c2)C2(O)CCCCC2)CC1,CHEMBL513204,6.44
+OC1(C(CN2CCNCC2)c2ccc(F)cc2)CCCCC1,CHEMBL445800,5.99
+CN1CCN(CC(c2ccc(F)cc2)C2(O)CCCCC2)CC1,CHEMBL470078,5.86
+COc1cccc(C(CN2CCNCC2)C2(O)CCCCC2)c1,CHEMBL469460,6.13
+COc1cccc(C(CN2CCN(C)CC2)C2(O)CCCCC2)c1,CHEMBL469459,6.29
+COc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1,CHEMBL469458,6.28
+CN(C)C[C@H](c1cccc(Cl)c1)C1(O)CCCCC1,CHEMBL448953,6.47
+CN(C)C[C@@H](c1cccc(Cl)c1)C1(O)CCCCC1,CHEMBL461095,7.39
+CN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1,CHEMBL99653,7.68
+CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1,CHEMBL316862,6.9
+CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1,CHEMBL101899,6.83
+CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1,CHEMBL420644,6.6
+COc1cccc(C(CN(C)C)C2(O)CCCCC2)c1,CHEMBL101055,6.5
+CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL476954,7.28
+c1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1,CHEMBL478836,6.57
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL478622,7.54
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL514560,7.8
+CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1,CHEMBL478623,6.33
+CN1CC[C@H](N(Cc2ccccc2-c2ccccc2)S(C)(=O)=O)C1,CHEMBL476315,6.13
+CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL514232,8.1
+CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL477573,7.02
+CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O,CHEMBL477572,7.07
+CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL501919,7.07
+O=S(=O)(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)C(F)(F)F,CHEMBL477571,7.52
+CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478835,8.0
+CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476313,8.15
+CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL515936,8.3
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476312,8.3
+O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477148,7.57
+CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL516094,7.28
+CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL476320,7.64
+CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1,CHEMBL502707,7.05
+CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL516730,7.34
+CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL503378,7.31
+CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477783,7.85
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478834,8.1
+COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL517978,7.74
+CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL478833,7.47
+CSc1ccccc1CN(C(=O)C(C)C)[C@H]1CCNC1,CHEMBL518276,7.19
+CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL476527,7.2
+CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1,CHEMBL450435,7.13
+CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL476942,7.15
+CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476941,7.52
+CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476116,8.22
+CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL507723,7.6
+CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477782,7.52
+CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL479044,6.91
+O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL449235,6.93
+Clc1ccc(C23CNCC2C3)cc1Cl,CHEMBL528995,7.2
+Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl,CHEMBL592374,7.077000000000001
+COc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL488422,5.89
+Cc1ccc([C@H]2CC3CCC([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1,CHEMBL469889,6.28
+Cc1noc([C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)c1-c1ccc(Cl)cc1,CHEMBL471899,6.1
+Cc1ccc([C@H]2CC3CCC([C@H]2c2onc(C)c2-c2ccc(F)cc2)N3C)cc1,CHEMBL471898,6.46
+Cc1noc([C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)c1-c1ccc(F)cc1,CHEMBL512189,6.33
+COc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL487875,6.45
+COc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL487874,6.46
+Cc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL487873,6.11
+Cc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL519910,5.96
+Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1,CHEMBL486042,6.08
+CN1C2CCC1[C@@H](c1cc(Cc3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL520035,6.17
+Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(Cc4ccc(F)cc4)no2)N3C)cc1,CHEMBL486041,6.34
+CN1C2CCC1[C@@H](c1cc(Cc3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL488423,6.36
+COc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL469888,6.34
+COc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL469887,6.34
+Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL470690,5.99
+Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(-c4ccc(F)cc4)no2)N3C)cc1,CHEMBL470903,6.26
+CN1C2CCC1[C@@H](c1cc(-c3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL511466,6.26
+CNCCC(c1ccccc1)c1c[nH]c2ccccc12,CHEMBL487763,7.05
+CCCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463585,8.05
+CCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463389,7.15
+CC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463388,6.54
+N#Cc1c[nH]c2ccc(C3(Cc4ccccc4)CCNC3)cc12,CHEMBL517305,8.3
+CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL463387,8.0
+CNC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL442924,6.82
+NC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457931,8.05
+N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457930,8.0
+CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL512551,7.72
+Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21,CHEMBL459176,9.0
+c1ccc(CCC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL504231,7.8
+COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1,CHEMBL514759,7.96
+Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL513258,8.15
+c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1,CHEMBL456654,8.1
+c1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1,CHEMBL514447,7.22
+c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1,CHEMBL486538,7.39
+c1ccc(CC2(c3ccc4sccc4c3)CCNC2)cc1,CHEMBL486537,8.52
+c1ccc(CC2(c3ccc4n[nH]cc4c3)CCNC2)cc1,CHEMBL520869,8.3
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL54465,5.84
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1,CHEMBL477587,6.99
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1,CHEMBL449277,6.11
+COc1ccc2c(c1)CCN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL293583,7.01
+COc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL294481,5.99
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL55505,6.74
+NCC1c2ccccc2Cc2cc(Br)ccc21,CHEMBL85882,5.35
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,6.07
+NCC1CCC(c2ccccc2)O1,CHEMBL458639,5.56
+NCC1CCC(c2ccc(Cl)cc2)O1,CHEMBL447825,5.96
+COc1ccc(C2CCC(CN)O2)cc1,CHEMBL451652,5.7
+CC(C)(C)c1ccc(C2CCC(CN)O2)cc1,CHEMBL447750,5.34
+NCC1CCC(c2cccc3ccccc23)O1,CHEMBL456638,5.83
+NCC1CCC(CCc2ccccc2)O1,CHEMBL456639,5.56
+NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1,CHEMBL452928,6.2
+NCC1CCC(CCc2cccnc2)O1,CHEMBL508678,5.07
+Cc1cc(CCC2CCC(CCN)O2)ccc1F,CHEMBL457968,6.05
+NCCC1CCC(CCc2ccc(O)cc2)O1,CHEMBL457966,5.23
+COc1ccc(F)cc1[C@H]1CC[C@H](CN)O1,CHEMBL442843,4.14
+COc1ccc(F)cc1C1CCC(CN)O1,CHEMBL457967,4.24
+COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1,CHEMBL512736,4.56
+COc1ccc(F)cc1[C@@H]1CC[C@H](CCN)O1,CHEMBL456017,4.31
+COc1ccc(F)cc1C[C@H]1CC[C@H](CN)O1,CHEMBL456221,4.62
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1,CHEMBL450987,5.04
+COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1,CHEMBL456222,5.75
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1,CHEMBL450769,6.34
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1,CHEMBL511500,5.22
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CN)O1,CHEMBL456223,5.07
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1,CHEMBL462311,5.61
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1,CHEMBL460406,4.92
+COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1,CHEMBL460407,5.07
+COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1,CHEMBL459367,4.7
+COc1ccc(F)cc1CCCC1CCC(CCN)O1,CHEMBL450907,4.82
+COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1,CHEMBL455221,5.65
+COc1ccc(F)cc1CCCCC1CCC(CCN)O1,CHEMBL460204,5.39
+COc1ccc(F)cc1CCC1CCC(CCN)O1,CHEMBL464422,5.61
+COc1ccc(C2=NN(CCCCCBr)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL463431,4.41
+COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1,CHEMBL505431,5.76
+COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1,CHEMBL451500,5.13
+CNCCC1CCC(CCc2cc(F)ccc2OC)O1,CHEMBL473966,4.71
+COc1ccc(CCN(C)CCN2CCCCC2)cc1,CHEMBL493384,4.71
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL498774,4.24
+CN1[C@H]2CC[C@@H]1[C@@H](c1cn(Cc3ccccc3)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL523916,5.59
+CN1[C@H]2CC[C@@H]1[C@@H](c1cn(CCN3CCCCC3)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL496911,6.37
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL496913,7.3
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL522699,6.64
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494814,7.85
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C#Cc2ccccc2)N3C)cc1,CHEMBL494807,7.51
+C#C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL449047,7.12
+C#C[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL451071,6.82
+CN1[C@H]2CC[C@@H]1[C@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494624,7.31
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2C=C(Br)Br)N3C)cc1,CHEMBL524188,7.26
+CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494626,8.46
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C=C(Br)Br)N3C)cc1,CHEMBL495464,8.47
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL494786,6.25
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL482903,5.77
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL519819,5.74
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL520970,6.15
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL483316,5.18
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL503609,5.56
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL520301,5.54
+Cc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL179249,9.52
+FCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL505592,8.43
+FCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL466187,8.5
+Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL467432,8.99
+NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL465123,5.21
+NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL446084,5.13
+COc1ccc(C2=NN(CCCCCBr)C(=O)C3CC=CCC23)cc1OC,CHEMBL480988,4.41
+COc1ccc(C2=NN(CCCCCNCC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL454507,5.34
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL499461,5.18
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@H]2CC[C@H]1N2C,CHEMBL457865,7.66
+COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL512202,5.95
+CCOc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,CHEMBL458488,5.77
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(F)c2)C[C@H]2CC[C@H]1N2C,CHEMBL458072,6.57
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(Br)c2)C[C@H]2CC[C@H]1N2C,CHEMBL513090,6.8
+COC(=O)[C@H]1[C@@H](c2cc(Br)c(OC)c(Br)c2)C[C@H]2CC[C@H]1N2C,CHEMBL458282,5.39
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(I)c2)C[C@H]2CC[C@H]1N2C,CHEMBL457415,6.74
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC(C)C)N3C)cc1,CHEMBL515988,5.7
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC2CC2)N3C)cc1,CHEMBL457635,5.91
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)N3C)cc1,CHEMBL457866,6.48
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)cc2)N3C)cc1,CHEMBL458080,5.66
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(NC(C)=O)cc2)N3C)cc1,CHEMBL457655,5.84
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)c(Br)c2)N3C)cc1,CHEMBL514424,5.73
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2cc(Br)c(N)c(Br)c2)N3C)cc1,CHEMBL516933,5.57
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)c(I)c2)N3C)cc1,CHEMBL459332,5.69
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2cc(I)c(N)c(I)c2)N3C)cc1,CHEMBL459333,5.59
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462431,6.96
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL525952,6.99
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462410,7.17
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL462585,7.52
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C/I)c1)N2,CHEMBL516825,5.93
+NCC1CC1c1ccccc1Br,CHEMBL492916,5.56
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,5.47
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,5.17
+CC(C)CN(C(=O)c1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL564071,6.53
+Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551935,7.14
+CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564059,8.1
+CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551471,7.66
+O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564021,7.72
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1,CHEMBL552338,8.22
+CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL561739,7.54
+CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556539,8.22
+CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556093,8.0
+O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1,CHEMBL562569,7.74
+O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1,CHEMBL549584,8.15
+CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1,CHEMBL541196,7.8
+CCCN(C(=O)c1ccccc1SC)[C@H]1CCNC1,CHEMBL549509,7.43
+CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,CHEMBL549510,8.05
+CSc1ccccc1C(=O)N(c1ccccc1)[C@H]1CCNC1,CHEMBL557660,7.72
+CSc1ccccc1C(=O)N(C1CCCCC1)[C@H]1CCNC1,CHEMBL553395,8.3
+CC(C)N(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL555121,6.76
+O=C(c1ccccc1C(F)(F)F)N(C1CCC1)[C@H]1CCNC1,CHEMBL560673,7.22
+O=C(c1ccccc1C(F)(F)F)N(CC1CC1)[C@H]1CCNC1,CHEMBL559802,7.52
+O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1,CHEMBL562533,7.55
+O=C(c1ccccc1C(F)(F)F)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL564934,7.62
+CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1,CHEMBL570781,7.37
+CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1,CHEMBL571443,7.51
+CCCN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL569364,7.04
+CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,CHEMBL550401,7.49
+CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL550402,7.74
+CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL554336,7.21
+CCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL563117,8.05
+O=C(c1ccccc1Oc1ccccc1)N(C1CCC1)[C@H]1CCNC1,CHEMBL561878,7.89
+CC(C)CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL558651,8.1
+O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1,CHEMBL564935,8.52
+CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL562802,6.24
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL563384,5.95
+CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL559319,6.08
+O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL558853,7.42
+O=C(C1CCC1)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL560999,6.83
+COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL550870,8.4
+NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL552341,7.1
+N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564285,6.0
+N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL570317,8.0
+N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL550469,8.2
+Fc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL551818,6.6
+Fc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL564094,7.9
+Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL557119,7.9
+c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1,CHEMBL571893,7.4
+c1ccc(CCN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564288,7.3
+O=C(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL555565,6.1
+CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL561599,5.8
+Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21,CHEMBL552938,7.6
+c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1,CHEMBL556714,6.7
+c1ccc(CN(c2ccc3n[nH]cc3c2)C2CCNCC2)cc1,CHEMBL561598,7.8
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNC2)cc1,CHEMBL551135,8.0
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCCNC2)cc1,CHEMBL560536,7.2
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL560535,8.1
+c1ccc(N(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL559137,5.9
+CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL550932,6.7
+CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL556299,8.0
+CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558065,6.82
+CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558525,7.56
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2C,CHEMBL579056,6.66
+CCSc1ccc([C@H]2CC3CCC([C@H]2C(=O)OC)N3C)cc1,CHEMBL575854,5.93
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(C)C)cc1)N2C,CHEMBL579254,6.89
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(F)(F)F)cc1)N2C,CHEMBL573844,5.72
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)c(Br)c1)N2C,CHEMBL578419,6.92
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(S(C)=O)c(Br)c1)N2C,CHEMBL574020,6.16
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(S(C)=O)cc1)N2C,CHEMBL574317,6.29
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2,CHEMBL574544,7.68
+CCSc1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)OC)cc1,CHEMBL574546,6.93
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CCCF,CHEMBL575199,6.02
+C=CCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2,CHEMBL578219,5.7
+CCCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2,CHEMBL573361,5.92
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(OC)cc1)N2C,CHEMBL574081,5.95
+Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,CHEMBL574427,9.0
+Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1,CHEMBL574008,8.7
+Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1,CHEMBL583332,8.52
+O=C1C(Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1,CHEMBL574126,8.3
+Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1,CHEMBL574629,8.22
+Fc1cccc(C2CCNCC2)c1OCc1ccccc1,CHEMBL583750,8.05
+Fc1cccc(OCc2ccccc2)c1C1CCNCC1,CHEMBL575930,8.05
+Fc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL583752,7.96
+Clc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL575290,7.89
+Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1,CHEMBL574004,7.74
+Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1,CHEMBL573971,7.7
+Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL584173,7.68
+Fc1ccccc1COc1ccccc1C1CCNCC1,CHEMBL573897,7.47
+c1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573769,7.12
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1F,CHEMBL575714,7.1
+Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1,CHEMBL574231,7.01
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1,CHEMBL575700,6.98
+Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1,CHEMBL574347,6.94
+Fc1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573531,6.79
+c1ccc(COc2ccccc2N2CCNCC2)cc1,CHEMBL582928,6.77
+Fc1cccc(Oc2ccccc2)c1C1CCNCC1,CHEMBL574428,6.77
+Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1,CHEMBL573898,6.77
+c1ccc(OCc2ccccc2N2CCNCC2)cc1,CHEMBL574127,6.74
+c1ccc(N2CCNCC2)c(COc2ccccc2C2CC2)c1,CHEMBL575289,6.72
+c1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL575077,6.38
+Fc1ccccc1COc1ccccc1N1CCNCC1,CHEMBL575899,6.28
+c1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573532,6.26
+O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F,CHEMBL575699,6.19
+Fc1cccc(C2CCNCC2)c1Oc1ccccc1,CHEMBL583751,5.86
+c1ccc(OCc2ccccc2C2CCNCC2)cc1,CHEMBL574348,5.77
+Fc1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573972,5.77
+Fc1cccc(Oc2ccccc2N2CCNCC2)c1,CHEMBL573973,5.76
+Fc1cccc(OCc2ccccc2C2CCNCC2)c1,CHEMBL573766,5.71
+CC(C(=O)c1cccc(Cl)c1)N(C)C,CHEMBL566830,5.51
+CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565593,5.59
+CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565594,5.64
+CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566208,5.65
+CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL569465,5.93
+CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566050,6.28
+CC(NC1CCC1)C(=O)c1cccc(Cl)c1,CHEMBL566418,5.74
+Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1,CHEMBL566207,5.16
+CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,CHEMBL566618,5.24
+CC(NC(C)(C)C)C(=O)c1ccccc1,CHEMBL569699,5.24
+CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL568140,5.27
+Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl,CHEMBL565844,5.29
+CC(C(=O)c1cccc(Cl)c1)N1CCCCC1,CHEMBL566420,5.32
+Cc1cc(C(=O)C(C)NC(C)(C)C)ccc1Br,CHEMBL565845,5.34
+CCN(CC)C(C)C(=O)c1cccc(Cl)c1,CHEMBL578815,5.35
+CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565382,5.37
+CC(NC1CC1)C(=O)c1cccc(Cl)c1,CHEMBL569700,5.4
+CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1,CHEMBL567479,5.42
+CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL566886,5.5
+CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL576622,5.5
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL596001,8.07
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL610766,7.72
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595190,7.7
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccsc3)cc1)N2C,CHEMBL595677,7.59
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL608703,7.41
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611961,7.0
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595638,6.92
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611960,6.74
+CN1C2CCC1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL606809,6.42
+CN1C2CCC1[C@@H](C(=O)NCCC1CCN(C(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595540,6.36
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595767,6.21
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611959,6.09
+CN1C2CCC1[C@@H](C(=O)NCc1cccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)c1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607548,5.92
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607547,5.89
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595751,5.82
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595674,5.77
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611962,5.72
+CN1C2CCC1[C@@H](C(=O)NCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595766,5.66
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611963,5.57
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607546,5.48
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595539,5.31
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)CC1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL594388,5.3
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL608704,5.27
+CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL336920,7.21
+NCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL594585,6.02
+NCC[C@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL595063,5.62
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3cccc4ccccc34)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL596175,5.49
+CNC[C@@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc21,CHEMBL609883,8.05
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,7.72
+NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL608380,6.1
+CNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL593527,6.51
+CCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL595133,7.11
+CCCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL606150,6.31
+CC(C)NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL595457,7.6
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12,CHEMBL605309,6.37
+CN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL596148,7.35
+CCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL603430,7.55
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCC3)c12,CHEMBL606144,7.14
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12,CHEMBL595252,7.57
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCCC3)c12,CHEMBL593614,6.68
+CC1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL603417,6.9
+CC1CCCN(CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c23)C1,CHEMBL605089,5.95
+CCN(C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL593821,7.68
+CC(C)NCCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL594519,7.89
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCCN3CCCCC3)c12,CHEMBL604685,5.99
+Cc1ccc(Sc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592696,5.92
+Cc1ccc(Oc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592697,6.3
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,5.9
+Cc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1,CHEMBL589086,5.05
+Cc1ccc(Oc2ccc(OCCF)cc2CN(C)C)c(N)c1,CHEMBL591514,6.18
+Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1,CHEMBL589178,6.2
+Cc1ccc(Oc2ccc(OCCCCF)cc2CN(C)C)c(N)c1,CHEMBL589179,6.39
+Fc1ccccc1Oc1cccc(F)c1C1CCNCC1,CHEMBL598346,7.49
+c1ccc(Oc2ncccc2C2CCNCC2)cc1,CHEMBL608148,5.61
+Fc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597530,6.27
+Clc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL609904,7.13
+COc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597531,6.53
+Cc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596714,6.48
+FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596715,6.85
+Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl,CHEMBL600854,7.6
+Fc1cccc(Oc2ncccc2C2CCNCC2)c1F,CHEMBL611677,5.74
+Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL599371,6.04
+Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1,CHEMBL598562,6.38
+Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL598767,6.84
+Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1,CHEMBL598560,6.61
+COc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL598561,6.56
+Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1,CHEMBL597134,7.48
+Fc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL597135,6.74
+Cc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL599592,7.57
+Clc1ccccc1Oc1ncccc1N1CCNCC1,CHEMBL599593,6.13
+Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1,CHEMBL599798,6.18
+Clc1ccc([C@]2(CCOC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL611367,8.4
+CCC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596806,8.4
+CC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596805,8.8
+CCOCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL609023,8.1
+COCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL602323,8.1
+CCC(C)OC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL598228,8.7
+FC(F)(F)COC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL610220,7.6
+Clc1ccc([C@]2(COC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL590472,8.6
+Clc1ccc([C@]2(COCC3CC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL598644,8.1
+CCOC[C@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021583,4.6
+CCOC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021582,7.9
+Cc1csc(C[C@@H]2[C@H]3CNC[C@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL603480,7.1
+Cc1csc(C[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL597000,9.7
+Cc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL596796,8.0
+Cc1cnc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)o1,CHEMBL596795,7.7
+CCOCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL597608,8.4
+COCC[C@H]1[C@@]2(c3ccc(Cl)c(Cl)c3)CNC[C@]12C,CHEMBL2021581,6.0
+COCC[C@H]1[C@]2(C)CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL2021580,8.75
+OCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL598216,8.1
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc2ccccc2c1,CHEMBL598215,9.2
+CSC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599242,6.5
+CSC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL599241,8.55
+CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL611990,7.5
+Fc1ccc(OC[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)cc1,CHEMBL599240,7.4
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCCC2)cc1Cl,CHEMBL605119,8.7
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCCC2)cc1Cl,CHEMBL596989,7.9
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCC2)cc1Cl,CHEMBL596784,6.8
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCC2)cc1Cl,CHEMBL611063,9.1
+CC(C)OC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL605209,9.6
+FC(F)(F)COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL597190,8.8
+CCOC[C@H]1[C@@H]2CN(C)C[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL605502,7.8
+CCOC[C@H]1[C@@H]2CNC[C@@]21C,CHEMBL2021577,6.7
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,9.175
+CCCOC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL598825,9.2
+Clc1ccc([C@]23CNC[C@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL607871,6.9
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL610795,9.2
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599638,6.65
+COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL596809,8.533
+COC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL603540,5.89
+OC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL606120,7.54
+OC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL592375,6.74
+CCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL600645,8.7
+CCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1078312,6.66
+CCCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080069,7.44
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080787,7.68
+O=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1,CHEMBL1080788,7.02
+O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1,CHEMBL1080789,7.62
+CC(C)(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080790,7.89
+O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1,CHEMBL1080968,7.96
+CCC(CC)N(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080969,7.43
+O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1,CHEMBL1079263,8.0
+O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCNC1,CHEMBL1079264,7.96
+CC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1,CHEMBL1079265,7.43
+CC(C)CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCNC1,CHEMBL1077647,6.7
+CC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1,CHEMBL1078741,7.37
+CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1,CHEMBL1078742,7.3
+CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1,CHEMBL1078743,6.87
+CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@H]1CCNC1,CHEMBL1077638,6.99
+Cc1c(Cl)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078162,7.54
+Cc1c(F)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078163,7.16
+CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCNC1,CHEMBL1078164,7.17
+CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCNC1,CHEMBL1078073,6.86
+CC(C)CN(C(=O)c1cccc(F)c1C(F)(F)F)[C@H]1CCNC1,CHEMBL1078074,7.59
+CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1,CHEMBL1078076,6.58
+CC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL1078169,7.19
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCNC1,CHEMBL1078170,6.77
+CNC(C)Cc1ccc2c(c1)OCO2,CHEMBL43048,6.4
+CC(N)Cc1ccc2c(c1)OCO2,CHEMBL6731,6.15
+Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL1084971,7.24
+CC(C)Oc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1083405,7.66
+c1ccc(C(Cc2ccccc2OC2CC2)N2CCNCC2)cc1,CHEMBL1083705,7.66
+c1ccc(C(Cc2ccccc2OCC2CC2)N2CCNCC2)cc1,CHEMBL1083706,7.6
+c1ccc(C(Cc2cccc3c2OCC3)N2CCNCC2)cc1,CHEMBL1083707,6.47
+COc1c(F)cccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1086273,7.08
+COc1cccc(F)c1CC(c1ccccc1)N1CCNCC1,CHEMBL1086274,7.57
+Fc1cccc(OC(F)F)c1CC(c1ccccc1)N1CCNCC1,CHEMBL1086275,7.24
+COc1ccccc1CC(c1ccccc1F)N1CCNCC1,CHEMBL1085959,7.01
+COc1ccccc1CC(c1cccc(F)c1)N1CCNCC1,CHEMBL1085321,7.52
+COc1ccccc1CC(c1ccc(F)cc1)N1CCNCC1,CHEMBL1085567,7.0
+Fc1ccccc1C(Cc1ccccc1OC(F)F)N1CCNCC1,CHEMBL1084309,7.34
+Fc1cccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)c1,CHEMBL1084577,7.59
+Fc1ccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)cc1,CHEMBL1083425,7.4
+Fc1cccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1,CHEMBL1083427,7.52
+c1cc2n[nH]cc2cc1N1CCNC[C@H]1CC1CCOCC1,CHEMBL1171007,6.5
+c1cc2n[nH]cc2cc1N1CCNC[C@@H]1CC1CCOCC1,CHEMBL1170397,7.0
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCOCC1,CHEMBL1170396,6.5
+COCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169916,6.6
+CCOCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170213,6.5
+COCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1171425,6.5
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCCCC1,CHEMBL1171424,5.8
+CC(C)CC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172526,7.7
+CCCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172525,7.1
+CCC[C@@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172524,6.8
+CCC[C@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169912,7.5
+CCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170374,7.4
+c1ccc(CCC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1170373,7.1
+c1ccc(C2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1169733,6.7
+c1ccc(CC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1171975,7.6
+c1ccc(CC2CNCCN2c2cnc3[nH]ccc3c2)cc1,CHEMBL1170212,6.6
+Fc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170211,8.2
+Clc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170210,7.9
+COc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170209,7.3
+NC(=O)c1cc2cc(N3CCNCC3Cc3ccccc3)ccc2[nH]1,CHEMBL1170017,6.3
+Cn1ccc2cc(N3CCNCC3Cc3ccccc3)ccc21,CHEMBL1170794,7.3
+Clc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl,CHEMBL1170793,7.8
+CNc1ccc(N2CCNCC2Cc2ccccc2)cc1,CHEMBL1170585,6.3
+c1ccc(CC2CNCCN2c2ccccc2)cc1,CHEMBL1171392,6.4
+c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1,CHEMBL1171391,8.1
+COC[C@@]12CN(C(C)C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1172760,5.3
+COC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1170233,6.1
+COC[C@@]12CNC[C@@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173086,5.8
+COC[C@@]12CNC[C@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173085,5.9
+COC[C@@]12CNC[C@@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173520,7.3
+COC[C@@]12CNC[C@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173519,7.0
+COC[C@@]12CN[C@@H](C)C[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173416,7.3
+CC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173754,7.8
+CC#CNC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173753,6.3
+NC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173752,6.1
+CCOC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173751,8.1
+FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173594,7.1
+COC[C@@]12CNCC[C@]1(c1ccc(C(F)(F)F)c(Cl)c1)C2,CHEMBL1173415,6.9
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(C(F)(F)F)c1)C2,CHEMBL1173414,6.7
+COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2,CHEMBL1173413,6.5
+COC[C@@]12CNCC[C@]1(c1ccc(OC(F)(F)F)cc1)C2,CHEMBL1169622,5.5
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)cc1)C2,CHEMBL1173412,6.7
+COC[C@@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1173342,6.5
+COC[C@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172381,5.7
+Clc1ccc([C@@]23CCNC[C@@H]2C3)cc1Cl,CHEMBL1237064,6.733
+COC[C@@H]1[C@@H]2CCNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172919,7.2
+Clc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl,CHEMBL1173607,8.4
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C/C=C/CF,CHEMBL1214005,5.58
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/CF,CHEMBL1214006,6.85
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C/C=C/CF,CHEMBL1214007,7.06
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C/C=C/CF,CHEMBL1214059,6.84
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/CF,CHEMBL1214060,6.58
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,CHEMBL1224562,7.7
+O=C(c1cc(F)c2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,CHEMBL1224563,7.933
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224402,8.4
+CC(C)CC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224490,8.75
+CCOCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224491,7.7
+CCCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224492,8.8
+CC(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224320,9.2
+CC(C)(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224321,8.9
+Cc1ccc(C(=O)C2(CCC(C)(C)C)CCNC2)cc1Cl,CHEMBL1224399,8.4
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL1224400,8.35
+CC(C)(C)CCC1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1,CHEMBL1224401,8.0
+CC(C)(C)CCC1(C(=O)c2cc(Cl)c(Cl)s2)CCNC1,CHEMBL1224241,8.1
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1,CHEMBL1224316,8.0
+CC(C)(C)CCC1(C(=O)c2ccc(N)c(Cl)c2)CCNC1,CHEMBL1224317,8.3
+CC(C)(C)CCC1(C(=O)c2cnc(N)c(Cl)c2)CCNC1,CHEMBL1224318,7.3
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCNC1,CHEMBL1224319,8.2
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3s2)CCNC1,CHEMBL1224237,8.6
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3[nH]2)CCNC1,CHEMBL1224238,8.6
+CC(C)(C)CCC1(C(=O)c2ccc3ccccc3n2)CCNC1,CHEMBL1224239,8.5
+Cc1cccc2nc(C(=O)C3(CCC(C)(C)C)CCNC3)ccc12,CHEMBL1224240,9.2
+CCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1,CHEMBL1224164,8.5
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCCN1,CHEMBL1224165,8.7
+CCCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCCN1,CHEMBL1224024,7.8
+CCC[C@@]1(C(=O)c2ccc(Cl)c(Cl)c2)CCCN1,CHEMBL1224025,6.8
+CCCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224089,8.1
+CC(C)CC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224090,8.6
+CC(C)OCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224091,8.6
+CCCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224092,7.9
+CC(C)CC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224093,8.1
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224094,8.1
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CNC1,CHEMBL1224095,6.8
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1,CHEMBL1224160,8.1
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCNC1,CHEMBL1224161,7.6
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNCC1,CHEMBL1224162,7.0
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCCNC1,CHEMBL1224163,6.6
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.49
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,6.44
+c1ccc(Oc2ccccc2OC2CNC2)cc1,CHEMBL1645596,5.79
+Fc1ccccc1Oc1ccccc1OC1CNC1,CHEMBL1645597,6.28
+Fc1ccccc1Oc1cccc(F)c1OC1CNC1,CHEMBL1645598,6.29
+Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1,CHEMBL1645599,6.7
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645600,6.86
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645601,6.94
+Fc1cccc(F)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645602,6.32
+Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1,CHEMBL1645603,6.79
+Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645604,6.36
+Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1,CHEMBL1645605,6.43
+Fc1ccccc1Oc1ccccc1OC1CCNCC1,CHEMBL1645606,6.0
+Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645607,6.31
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645608,6.66
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645609,6.49
+Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1,CHEMBL1645610,5.71
+Fc1ccccc1Oc1ccccc1OC1CCNC1,CHEMBL1645611,5.87
+Fc1ccccc1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645612,5.99
+Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1,CHEMBL1645613,6.72
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645614,6.48
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNC1,CHEMBL1645615,6.65
+Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@H]1CCNC1,CHEMBL1645616,6.0
+Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1,CHEMBL1645617,6.96
+Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1,CHEMBL1645618,5.94
+Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1,CHEMBL1645619,7.14
+CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL173861,7.36
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.44
+Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643899,5.23
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.4
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,5.0
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL296602,8.8
+Cc1cnc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)o1,CHEMBL1818443,8.2
+Cc1csc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818444,9.4
+Cc1cc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)no1,CHEMBL1818446,7.4
+Cc1noc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818447,7.5
+Cc1csc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818448,9.2
+Cc1coc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818449,7.5
+Cc1ncoc1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818450,7.6
+Cc1cnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818453,7.1
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818454,8.8
+FC(F)(F)c1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818456,8.0
+FC(F)(F)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818457,6.8
+N#Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818458,7.5
+N#Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818459,7.6
+Cc1cc(C(F)(F)F)nn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818460,7.6
+Cc1cc(C(F)(F)F)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818461,8.0
+CC(C)(C)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818462,7.3
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cccc2)C3)cc1Cl,CHEMBL1818463,8.0
+N#Cc1cccn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818464,7.4
+N#Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818465,7.5
+Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818466,7.4
+Cc1ccc(C)n1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818467,7.7
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818468,7.7
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cncn2)C3)cc1Cl,CHEMBL1818469,7.0
+Cc1nc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818542,7.4
+CC(C)c1nnnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818544,6.4
+CC(C)c1nnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818545,6.4
+Clc1ccc([C@]23CCNCC2(Cn2ccc4ccccc42)C3)cc1Cl,CHEMBL1818546,7.2
+Clc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl,CHEMBL1818441,7.3
+Clc1ccc([C@]23CCNCC2(Cn2cc4ccccc4n2)C3)cc1Cl,CHEMBL1818547,7.3
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,5.87
+Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21,CHEMBL1836644,8.17
+Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2c1CCCC2,CHEMBL1836646,5.54
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.05
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1,CHEMBL319244,5.43
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,4.77
+CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,CHEMBL1016,5.52
+CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL418971,4.78
+CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,CHEMBL990,5.41
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.91
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,5.44
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,5.86
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.87
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.89
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.91
+N=C(Nc1ccccc1)Nc1ccccc1,CHEMBL77675,5.94
+Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,CHEMBL40583,4.53
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,4.21
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.65
+CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CHEMBL311469,5.07
+CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O,CHEMBL1629810,5.9
+C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O,CHEMBL1601669,6.0
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,5.56
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.34
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.62
+CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1200623,5.68
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.88
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,4.4
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.71
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,6.02
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,4.67
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.5
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,5.45
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,5.51
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.66
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.54
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,5.14
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,4.16
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.1
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,5.96
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,6.42
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.44
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.07
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,5.84
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,5.55
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.59
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.72
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.15
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.25
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.31
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.27
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.58
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,5.66
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.89
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,5.38
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,5.52
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,5.49
+c1ccc2c(c1)Nc1ccccc1S2,CHEMBL828,6.34
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,6.35
+CC(C)c1cccc(C(C)C)c1O,CHEMBL526,5.03
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.72
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,5.06
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,5.59
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.4
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,5.54
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,5.58
+CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,CHEMBL165790,5.6
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.79
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,CHEMBL1201151,5.86
+CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,CHEMBL503,5.06
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.54
+Oc1ccc(OCc2ccccc2)cc1,CHEMBL1388,5.41
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.57
+c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,CHEMBL1333512,6.11
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.86
+COc1ccc2cc(CCC(C)=O)ccc2c1,CHEMBL1070,5.73
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,4.62
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,5.48
+Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,CHEMBL960,5.34
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,5.73
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,CHEMBL460291,5.25
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,6.09
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,5.31
+O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,CHEMBL119385,4.69
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,5.54
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,5.81
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.7
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.84
+CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,CHEMBL822,5.39
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,5.64
+COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12,CHEMBL115769,5.97
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.86
+CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,CHEMBL1419,5.25
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,4.6
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,5.72
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.55
+Nc1nc2ccc(OC(F)(F)F)cc2s1,CHEMBL744,5.76
+Nc1c2c(nc3ccccc13)CCCC2,CHEMBL95,6.29
+CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914699,7.18
+CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914698,7.56
+CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914697,7.31
+CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914696,7.54
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914695,4.77
+CN1C2CCC1[C@@H](C(=O)Nc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914694,4.92
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914693,4.79
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914692,5.41
+C[C@H](N)Cc1ccccc1,CHEMBL612,7.0
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C(\I)C(F)(F)F,CHEMBL1947087,6.37
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C(I)=C/C(F)(F)F,CHEMBL1947088,6.73
+C[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O,CHEMBL1956115,6.6
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,7.31
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.67
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,5.7
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,CHEMBL2203551,6.69
+c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,CHEMBL2165447,6.72
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.44
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.0
+Cc1ccc2c(c1)CN(C)C[C@H]2c1cccc(F)c1,CHEMBL2206511,7.46
+Cc1ccc2c(c1)CN(C)CC2c1ccc(Cl)cc1,CHEMBL2206510,7.33
+Cc1ccc2c(c1)CN(C)C[C@H]2c1ccc(F)cc1,CHEMBL2206509,8.15
+Cc1ccc2c(c1)CN(C)CC2c1cc(F)cc(F)c1,CHEMBL2206508,8.24
+Cc1ccc2c(c1)CN(C)CC2c1cccc(Cl)c1,CHEMBL2206507,8.3
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206536,7.85
+Cc1ccc(C2CN(C)Cc3cc(C)ccc32)cc1,CHEMBL2206535,7.82
+CN1Cc2cc(O)ccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206534,7.89
+COc1ccc2c(c1)CN(C)CC2c1ccc(C)c(F)c1,CHEMBL2206533,7.78
+COc1ccc2c(c1)CN(C)CC2c1cccc(C)c1,CHEMBL2206532,8.14
+COc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206531,8.05
+CN1Cc2cc(F)ccc2C(c2ccccc2)C1,CHEMBL2206530,7.54
+Cc1ccc(C2CN(C)Cc3c(C)cccc32)cc1,CHEMBL2206529,7.72
+Cc1cccc2c1CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206528,7.43
+Cc1cc(C2CN(C)Cc3ccccc32)ccc1F,CHEMBL2206527,7.87
+Cc1ccc(C2CN(C)Cc3ccccc32)cc1F,CHEMBL2206526,8.36
+CN1Cc2ccccc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL2206525,8.14
+CN1Cc2ccccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206524,7.91
+Cc1cccc2c1C(c1ccccc1)CN(C)C2,CHEMBL2206522,6.09
+COc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206521,5.99
+Cc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206520,6.94
+Cc1ccc2c(c1C)CN(C)CC2c1ccccc1,CHEMBL207867,6.87
+CCOc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206519,6.94
+COc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206518,7.5
+CCc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206517,7.27
+Cc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206516,7.46
+CN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL2206515,6.62
+CN1Cc2c(O)cccc2C(c2ccccc2)C1,CHEMBL2206514,6.86
+COc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206513,6.87
+Cc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206512,7.0
+OCC[C@@]1(c2cc3ccccc3o2)CCCNC1,CHEMBL2321994,6.37
+OCC[C@]1(c2cc3ccccc3o2)CCCNC1,CHEMBL2321993,8.4
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321992,6.6
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321991,8.48
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2321990,7.31
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2326695,8.29
+COCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326694,7.82
+OCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326693,7.92
+Clc1ccc(C2CCCCNC2)cc1Cl,CHEMBL2326692,6.89
+CN1CCCCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326691,7.13
+C1=CCC(c2cc3ccccc3o2)CNC1,CHEMBL2326690,7.34
+CN1CC=CCC(c2cc3ccccc3o2)C1,CHEMBL2326689,6.92
+Clc1cccc(C2CC=CCNC2)c1,CHEMBL2326688,6.37
+Clc1ccc(C2CC=CCNC2)cc1,CHEMBL2326687,6.6
+Fc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2326686,6.89
+Cc1cc(C2CC=CCNC2)ccc1Cl,CHEMBL2326685,6.77
+Cc1cc(C2CC=CCN(C)C2)ccc1Cl,CHEMBL2326684,6.89
+Cc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2322002,7.08
+C1=CCC(c2ccc3ccccc3c2)CNC1,CHEMBL2322001,7.6
+Clc1ccc([C@@H]2CC=CCNC2)cc1Cl,CHEMBL2322000,7.62
+Clc1ccc([C@H]2CC=CCNC2)cc1Cl,CHEMBL2321999,7.77
+Clc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2321998,7.18
+CN1CC=CC[C@@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321997,7.27
+CN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321996,7.92
+CN1CC=CCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321995,7.24
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc4cccc(-c5ccc6c(c5)COC6(CCCN(C)C)c5ccc(F)cc5)c4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2336610,4.93
+COc1ccc(O[C@H](CC(C)C)[C@@H]2CCNC2)c(C)n1,CHEMBL2386166,6.75
+COc1ccc(O[C@@H](CC(C)C)[C@@H]2CCNC2)c(C)n1,CHEMBL2386165,6.36
+COc1ccc(O[C@H](CC(C)C)[C@H]2CCNC2)c(C)n1,CHEMBL2386164,7.52
+O=C(Cc1c[nH]c2ccccc12)C(O)Cc1ccc(O)cc1,CHEMBL2414911,6.06
+O=C(Cc1ccccc1)C(O)=Cc1c[nH]c2ccccc12,CHEMBL1233879,5.56
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,5.07
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.13
+Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL542933,7.31
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,5.71
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,5.87
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL215376,7.48
+O=C(OCCF)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105243,6.82
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL1945251,7.7
+O=C(O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105242,6.11
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,5.56
+CN1Cc2ccccc2C(c2ccc3[nH]ccc3c2)C1,CHEMBL3323101,8.24
+CN1Cc2ccccc2C(c2cc3ccccc3s2)C1,CHEMBL3323097,7.485
+CN1Cc2ccccc2C(c2ccc3sccc3c2)C1,CHEMBL3323095,8.92
+CN1Cc2ccccc2C(c2cccc3ccoc23)C1,CHEMBL3323094,8.7
+CN1Cc2ccccc2C(c2cc3ccccc3o2)C1,CHEMBL3323091,7.7
+CN1Cc2ccccc2C(c2ccc3ccoc3c2)C1,CHEMBL3323090,8.28
+CN1Cc2ccccc2C(c2ccc3occc3c2)C1,CHEMBL3323089,8.7
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1,CHEMBL3323088,8.12
+CN1Cc2ccccc2C(c2ccc3n[nH]cc3c2)C1,CHEMBL3323104,7.94
+CN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3323105,7.94
+CN1Cc2ccccc2C(c2ccc3cc[nH]c3c2)C1,CHEMBL3323102,8.17
+CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3323182,8.12
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,5.91
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,5.4
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,5.65
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,5.75
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,5.85
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.29
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.34
+CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663914,7.9
+Cc1ccc(C2CN(C)Cc3ccccc32)o1,CHEMBL3663909,5.79
+Cc1noc(C)c1C1CN(C)Cc2ccccc21,CHEMBL3663906,4.38
+COc1ccc(C2CN(C)Cc3ccccc32)cn1,CHEMBL3663910,5.86
+CN1Cc2cc(-c3cncnc3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663913,7.14
+COc1c(C2CN(C)Cc3ccccc32)ccc2sccc12,CHEMBL3663915,7.61
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3o2)C1,CHEMBL3663918,8.62
+CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3663917,8.85
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663912,8.09
+CCN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3663919,7.9
+CN1Cc2ccccc2C(c2cccs2)C1,CHEMBL3663907,5.51
+Cc1ccc(C2CN(C)Cc3ccccc32)s1,CHEMBL3663908,6.31
+COc1c(C2CN(C)Cc3cc(-c4ccc(C)nn4)ccc32)ccc2sccc12,CHEMBL3663916,7.24
+CN1Cc2ccccc2C(c2ccc3sncc3c2)C1,CHEMBL3663920,7.41
+COc1cccc2cc(C3CN(C)Cc4ccccc43)oc12,CHEMBL3663911,7.66
+CCCC(=O)NCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704752,7.335
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,7.96
+C=CCN(CC=C)CCc1c[nH]c2ccccc12,CHEMBL3752576,6.0
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,6.0
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,6.2
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.7
diff --git a/chembl_200/CHEMBL223.csv b/chembl_200/CHEMBL223.csv
new file mode 100644
index 0000000000000000000000000000000000000000..bd074f4e04f5675c2e4857a6ad01a949483760d9
--- /dev/null
+++ b/chembl_200/CHEMBL223.csv
@@ -0,0 +1,970 @@
+c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101739,7.0
+Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1,CHEMBL101579,7.62
+CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2,CHEMBL101322,5.42
+Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101610,7.74
+CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O,CHEMBL419164,5.49
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21,CHEMBL322688,7.28
+COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL431631,7.03
+O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21,CHEMBL98167,5.82
+C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL100878,6.7
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL101869,7.17
+O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2,CHEMBL100052,6.83
+CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O,CHEMBL99614,6.87
+Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL98430,6.94
+O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21,CHEMBL98168,7.22
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,6.2
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,6.957000000000001
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,9.528
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,6.86
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL290860,6.6
+CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O,CHEMBL91616,6.62
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL93693,6.39
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL90420,6.7
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1,CHEMBL91405,6.62
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+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359430,5.8
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145746,6.85
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+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145587,7.19
+COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145278,6.21
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+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145770,6.92
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL436407,7.1
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+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359421,6.66
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145001,5.96
+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL342347,5.77
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+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1,CHEMBL69339,7.89
+COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,CHEMBL67932,7.04
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1,CHEMBL70178,7.64
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1,CHEMBL421297,7.33
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1,CHEMBL69848,7.6
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1,CHEMBL67713,7.04
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL420184,7.92
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1,CHEMBL66823,6.89
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1,CHEMBL303485,6.47
+COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1,CHEMBL302495,6.86
+COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1,CHEMBL68241,7.82
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL305029,7.74
+COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12501,5.0
+CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1,CHEMBL11828,6.6
+CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL418531,5.35
+CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL12529,6.59
+CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1,CHEMBL268030,6.19
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1,CHEMBL12603,6.3
+O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL12364,5.27
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12062,7.1
+CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1,CHEMBL12202,6.97
+CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1,CHEMBL12127,6.22
+CC(C)Oc1ccccc1N1CCN(CC(O)=CC(=O)CN2CCCCC2=O)CC1,CHEMBL274529,5.22
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL275469,6.43
+COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12,CHEMBL139505,7.9
+COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1,CHEMBL2112774,6.85
+COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL2112779,8.35
+COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1,CHEMBL444590,8.23
+COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL2112778,6.93
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,7.08
+COc1cccc2c1CCCC2CCCNCCOc1ccccn1,CHEMBL344432,7.9
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,8.7
+COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,CHEMBL320397,7.6
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,8.86
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1,CHEMBL303464,8.82
+COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1,CHEMBL303681,6.5
+Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL304132,7.43
+Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1,CHEMBL303248,7.14
+COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL302940,7.29
+CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL71473,7.2
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1,CHEMBL68601,7.26
+CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL419624,6.86
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1,CHEMBL308671,6.95
+COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL68203,6.91
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL67552,7.66
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL70892,8.0
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL302246,7.12
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL68604,7.55
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL303627,6.72
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1,CHEMBL68746,7.42
+COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL304591,7.8
+Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL69295,7.21
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1,CHEMBL69143,7.19
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL67648,7.4
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL304977,6.86
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1,CHEMBL71580,7.39
+Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL431362,7.27
+COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC,CHEMBL70095,7.25
+COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL302942,7.28
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,7.28
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL69264,7.82
+COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL68045,6.27
+COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC,CHEMBL68913,6.82
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1,CHEMBL68699,7.12
+COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O,CHEMBL68565,7.14
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1,CHEMBL302092,7.29
+COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL69245,6.39
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,9.6
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL14199,8.15
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1,CHEMBL13754,9.33
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1,CHEMBL13735,9.51
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,9.51
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2,CHEMBL50490,6.89
+NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL50081,6.16
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1,CHEMBL299539,6.47
+COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL300272,5.89
+COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL51019,6.38
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL301077,6.38
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2,CHEMBL51871,6.74
+N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL298579,5.96
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1,CHEMBL299984,5.72
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1,CHEMBL310471,6.75
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1,CHEMBL440499,7.28
+CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1,CHEMBL76643,5.82
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1,CHEMBL421324,6.57
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1,CHEMBL76867,7.36
+CCc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL123448,8.92
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL279436,6.432
+CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2,CHEMBL114166,7.48
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,CHEMBL3392247,6.37
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284103,6.18
+CN1CCc2c(Cl)ccc3oc(Br)c(c23)C1,CHEMBL123138,7.14
+CN1CCc2cccc(Cl)c2CC1,CHEMBL123349,6.9
+COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,CHEMBL31410,6.6
+Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1,CHEMBL289916,5.44
+Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1,CHEMBL44288,5.48
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL41844,5.96
+Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1,CHEMBL415887,7.44
+N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1,CHEMBL416073,5.64
+CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1,CHEMBL42361,5.54
+Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1,CHEMBL295304,6.64
+Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1,CHEMBL297667,5.96
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL44496,5.77
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1,CHEMBL43799,5.47
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+COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1,CHEMBL239806,5.65
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342543,6.11
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL146654,7.51
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL142307,7.28
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142236,6.85
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1,CHEMBL142398,7.85
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145525,6.92
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145574,6.54
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145443,7.43
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1,CHEMBL341849,7.55
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142718,5.96
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145394,6.555
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1,CHEMBL141821,7.51
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1,CHEMBL145843,7.49
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145756,6.21
+COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL145072,6.72
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1,CHEMBL145547,7.47
+CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1,CHEMBL142251,7.85
+CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL445577,7.04
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL344525,8.01
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342731,7.68
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145338,7.52
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145122,5.74
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL358795,6.41
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL357439,6.32
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359433,6.47
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1,CHEMBL145190,7.87
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL357172,6.85
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL299914,5.82
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1,CHEMBL62045,6.66
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1,CHEMBL59590,5.82
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL62249,5.39
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1,CHEMBL61643,5.32
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C#N)CC3)cccc2c1=O,CHEMBL125989,8.41
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C(N)=O)CC3)cccc2c1=O,CHEMBL125365,7.69
+CC1=[N+]([O-])ONC1=COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL338608,8.38
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL278865,8.71
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O,CHEMBL338029,8.46
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL96467,6.9
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1,CHEMBL2111563,6.71
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL2114249,7.04
+COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2,CHEMBL324090,10.4
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,6.88
+COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1,CHEMBL420060,7.84
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,9.303
+COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,CHEMBL709,8.47
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O,CHEMBL49851,7.92
+COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1,CHEMBL301078,8.52
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O,CHEMBL51074,8.18
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1,CHEMBL301726,9.03
+O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL135974,6.7
+O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL134428,7.79
+O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL132378,6.03
+c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL37883,7.938
+COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL286003,8.03
+COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1,CHEMBL42472,10.05
+COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1,CHEMBL40325,7.64
+COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1,CHEMBL42558,8.44
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1,CHEMBL43905,9.36
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O,CHEMBL44403,9.74
+COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1,CHEMBL42231,7.77
+Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71479,5.32
+CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1,CHEMBL74114,6.04
+CS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL544290,5.42
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,6.52
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,7.24
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,8.3
+CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1,CHEMBL74467,5.58
+CCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL70973,5.65
+CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70634,5.62
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,6.65
+CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1,CHEMBL419448,5.46
+COc1ccc(SC)c(NCC2=NCCN2)c1,CHEMBL70691,6.97
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,8.33
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,6.32
+COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71001,5.12
+CCCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL554416,5.86
+CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL74071,5.55
+CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1,CHEMBL70563,6.06
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,7.76
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,8.21
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,7.95
+CS(=O)c1ccccc1NCC1=NCCN1,CHEMBL542402,5.92
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,5.86
+CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1,CHEMBL70326,5.79
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,5.57
+CC1CN=C(Nc2ccc3nccnc3c2Br)N1,CHEMBL72995,5.3
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,6.05
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,5.62
+Cc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL49137,6.25
+Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12,CHEMBL74342,4.38
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,4.91
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,6.55
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.56
+Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1,CHEMBL72147,5.3
+CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL180932,6.2
+C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,CHEMBL24778,8.7
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,6.66
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)N1,CHEMBL25121,6.69
+COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C,CHEMBL25300,8.9
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL24777,7.1
+COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O,CHEMBL267336,7.6
+O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1,CHEMBL286591,6.1
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,6.4
+CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1,CHEMBL88272,7.8
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(CC)N1,CHEMBL276932,6.35
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1,CHEMBL27899,6.05
+COc1ccc(CCNCC2CCc3ccccc3C2)cc1,CHEMBL282214,6.8
+COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1,CHEMBL24981,8.6
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL143558,6.7
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL144286,7.8
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3,CHEMBL145785,7.61
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3,CHEMBL143026,7.72
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL145793,5.94
+COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3,CHEMBL423018,6.7
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL144779,6.41
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3,CHEMBL2112853,7.6
+N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1,CHEMBL140450,6.36
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL342062,8.49
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,5.77
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,6.3
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,6.35
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,6.9
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,6.31
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,5.94
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,6.5
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,6.42
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,6.13
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,6.36
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,5.82
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,5.76
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,6.49
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,6.52
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,7.18
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,6.46
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,6.34
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,6.5
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,5.94
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,6.33
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,6.29
+Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL55290,8.1
+COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL418112,7.5
+C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O,CHEMBL56375,6.9
+O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL299452,7.5
+CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL291951,7.0
+Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O,CHEMBL292403,7.7
+Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C,CHEMBL292189,8.3
+O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,CHEMBL56863,8.7
+O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL59153,7.5
+Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL417758,6.9
+Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL293149,8.6
+Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O,CHEMBL55629,7.8
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL56331,7.9
+O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL55645,7.2
+CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL53675,7.6
+O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL298838,8.0
+O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL417954,7.6
+Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1,CHEMBL56489,7.3
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL27013,9.71
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC,CHEMBL341665,9.61
+COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL29591,9.14
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL43116,10.17
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,6.23
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,5.94
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42640,6.48
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,6.06
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,6.82
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL287791,6.6
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,6.7
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL288768,5.98
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,6.23
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL40464,6.17
+CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O,CHEMBL81173,6.68
+O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL311247,7.8
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1,CHEMBL83272,7.6
+Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12,CHEMBL82056,5.99
+Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL83041,6.19
+Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL81006,7.14
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL311890,7.39
+Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1,CHEMBL432947,6.87
+COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL83340,7.12
+O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL83592,7.15
+O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL82877,7.12
+COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311014,5.56
+Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1,CHEMBL420578,6.65
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1,CHEMBL309949,6.05
+CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL309518,7.23
+O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL83226,6.45
+O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL313990,7.07
+COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311290,5.46
+CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL316495,6.42
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC(F)(F)F)N1,CHEMBL320736,6.38
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL323579,6.122000000000001
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1,CHEMBL95736,6.36
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,6.02
+CCNC(=O)C1C(=COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95253,6.35
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)C(=COCCN)N1,CHEMBL432026,6.61
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2C(=COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL322405,5.84
+CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL95263,6.42
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL95548,6.78
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COC)N1,CHEMBL100045,6.14
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1,CHEMBL95434,6.5
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1,CHEMBL99864,6.34
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,5.27
+CCNC(=O)C1=C(CC)NC(=COCCN)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95290,5.89
+COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3C(=COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1,CHEMBL330401,5.68
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL98038,4.56
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL8412,7.34
+CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1,CHEMBL3349545,5.96
+CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1,CHEMBL1169493,5.74
+CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL418926,6.49
+CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL82267,6.32
+COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1,CHEMBL79532,5.7
+O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL135973,8.1
+Cc1csc(Cc2cnc[nH]2)c1C,CHEMBL1203846,9.77
+Cc1cccc([C@H](C)c2cnc[nH]2)c1C,CHEMBL778,10.82
+Brc1csc(Cc2cnc[nH]2)c1Br,CHEMBL1203855,10.15
+Cc1ccc(Cc2cnc[nH]2)s1,CHEMBL1203847,8.44
+Cc1ccsc1C(C)c1cnc[nH]1,CHEMBL1237160,8.895
+Brc1ccsc1Cc1cnc[nH]1,CHEMBL1203850,9.46
+Cc1ccsc1Cc1cnc[nH]1,CHEMBL1203848,9.35
+c1csc(Cc2cnc[nH]2)c1,CHEMBL1203849,8.06
+c1ccc2sc(Cc3cnc[nH]3)cc2c1,CHEMBL1203851,8.96
+c1ncc(Cc2cc3c(s2)CCCC3)[nH]1,CHEMBL1203856,8.43
+COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78785,7.93
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL80599,8.27
+CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1,CHEMBL78874,9.6
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL77618,8.41
+COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1,CHEMBL80132,7.75
+COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL420959,8.22
+COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL81486,8.97
+COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80730,9.37
+COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL311479,7.93
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1,CHEMBL420205,9.31
+COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78676,8.53
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL77901,8.49
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL79161,7.46
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1,CHEMBL310599,9.6
+COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80458,9.39
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80260,8.36
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80641,9.89
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56438,9.89
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1,CHEMBL299691,9.08
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,7.85
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL446180,8.25
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,8.1
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,9.02
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,8.72
+COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178923,9.05
+COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178673,9.41
+COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL175934,9.31
+COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC,CHEMBL179743,9.03
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,7.93
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,7.76
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,7.3
+COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1,CHEMBL200580,10.0
+COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1,CHEMBL427552,9.5
+COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC,CHEMBL198431,8.7
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1,CHEMBL196817,10.3
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1,CHEMBL197442,10.2
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-],CHEMBL200136,9.04
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1,CHEMBL200366,10.2
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1,CHEMBL199080,9.7
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C,CHEMBL382972,9.9
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1,CHEMBL200446,10.5
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1,CHEMBL198860,10.3
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl,CHEMBL200839,9.6
+c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL537651,7.43
+Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL541129,7.66
+c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL537428,7.16
+COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215421,9.29
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218732,6.02
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL385371,6.83
+COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214506,6.44
+COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214762,6.67
+COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214552,7.27
+COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214694,7.82
+COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214952,7.54
+COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215151,8.47
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2,CHEMBL217143,7.8
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2,CHEMBL383938,7.84
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL215857,6.69
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218079,6.47
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL439346,7.65
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL217469,8.18
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1,CHEMBL436955,6.53
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1,CHEMBL215188,6.38
+COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214986,7.98
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL301707,9.44
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL222896,9.08
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL220221,9.4
+Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL220717,8.13
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1,CHEMBL220515,9.78
+Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C,CHEMBL219719,6.36
+O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL219718,6.51
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL223289,7.87
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL386005,8.81
+COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1,CHEMBL99142,9.39
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL220781,8.9
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390129,8.94
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390473,7.28
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228659,8.8
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228658,7.22
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228608,7.92
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL228607,7.07
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL387833,8.23
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL228606,7.31
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL538397,8.16
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL228554,7.07
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL387832,8.57
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228553,7.15
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228496,8.23
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228494,7.36
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228445,9.01
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL390192,7.44
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL442059,8.8
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL228390,7.59
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL439197,8.52
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228389,7.64
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228334,8.66
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL228333,7.24
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL389104,7.89
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228332,7.49
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228280,8.68
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL228279,7.33
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL388897,8.59
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL228278,7.47
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL229085,8.7
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL229084,7.06
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL390184,8.14
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL388361,7.4
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL8618,9.52
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1,CHEMBL243229,9.1
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1,CHEMBL243228,8.82
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1,CHEMBL243864,9.7
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1,CHEMBL243692,9.52
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1,CHEMBL243690,7.52
+COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242934,8.49
+COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242725,7.57
+COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL389978,8.82
+COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242724,8.63
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242723,8.13
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1,CHEMBL242508,8.44
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242507,8.32
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL388884,8.81
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL233790,7.84
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL232609,9.85
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL391017,7.12
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL232607,8.03
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL391016,8.26
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL234854,7.34
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234650,7.92
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234649,8.44
+O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL234476,7.36
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1,CHEMBL234474,7.32
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC,CHEMBL233584,7.19
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,CHEMBL394139,7.82
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233582,7.72
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233410,8.82
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL393105,7.62
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL233407,8.21
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL393104,8.07
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL391035,9.19
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234609,7.8
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234423,7.96
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234422,7.66
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429623,8.66
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234232,7.82
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234231,7.85
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429076,7.42
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233849,9.1
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234607,7.96
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL392066,7.18
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233814,8.3
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233623,7.51
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL393725,8.15
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL234194,7.25
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL236832,8.29
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL236621,7.62
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL392377,6.95
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL236830,8.68
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236618,7.66
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236617,8.47
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL428197,7.44
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL234874,8.32
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233416,7.46
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233592,8.85
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232780,7.61
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232779,8.48
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232593,7.57
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232592,8.6
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL234681,7.52
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL399195,8.62
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234680,8.49
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234679,8.2
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL234669,7.26
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL391107,8.28
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL238402,8.08
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL438673,9.46
+CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL238401,8.17
+CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL429453,7.66
+CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br,CHEMBL493091,6.56
+c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1,CHEMBL449057,6.45
+COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493697,7.215
+COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493486,8.9
+c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL493285,8.465
+COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493284,6.77
+COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493283,6.99
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL495289,6.9
+COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL452437,7.36
+COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL493041,7.5
+c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1,CHEMBL492835,7.14
+c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1,CHEMBL492785,6.81
+COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1,CHEMBL521665,7.79
+COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL494908,7.01
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL564481,9.77
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL558890,9.31
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL549764,7.58
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC,CHEMBL561851,8.8
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.47
+Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1084658,7.59
+COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1088072,7.3
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1077168,7.24
+COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1087942,6.74
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC,CHEMBL1079066,6.45
+CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078953,8.17
+CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078773,8.2
+c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1078772,6.48
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL1083182,8.18
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1,CHEMBL1086156,7.69
+COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1242352,9.09
+COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242444,7.87
+COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242445,8.28
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242541,7.85
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242542,8.83
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242632,8.39
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242633,8.6
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242724,7.4
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242725,7.79
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242818,7.49
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242819,8.07
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1242912,8.32
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1241557,8.86
+COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,CHEMBL31354,8.327
+Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O,CHEMBL1241328,6.3
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,7.4
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.54
+COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254582,9.75
+COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254659,8.92
+COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254660,8.56
+CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254742,9.41
+COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254743,9.29
+COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254828,9.13
+COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254829,9.04
+CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254914,8.43
+COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254915,8.4
+Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255002,8.15
+Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255003,7.85
+Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255085,7.82
+c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1,CHEMBL1255086,7.75
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.64
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.17
+COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O,CHEMBL1630942,7.81
+COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O,CHEMBL1630941,7.76
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O,CHEMBL1630940,9.02
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O,CHEMBL1630939,9.49
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O,CHEMBL1630938,9.61
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,6.74
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,7.01
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796028,5.88
+O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796029,6.2
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796030,7.34
+O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796031,7.36
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796032,6.41
+O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796034,7.47
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796035,7.41
+COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796036,7.51
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796037,6.16
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796038,5.82
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796039,7.16
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796040,7.2
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796041,7.14
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796042,7.17
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796043,7.27
+COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796044,7.29
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796045,7.01
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796047,7.11
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796048,6.04
+COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796049,7.12
+CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1,CHEMBL100434,7.45
+CC(C)(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1,CHEMBL319972,7.7
+CCC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1,CHEMBL95191,7.22
+CCCCc1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1,CHEMBL330198,6.61
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,6.28
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL517712,6.18
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,7.82
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.59
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.42
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.82
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,7.62
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,7.28
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.06
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.01
+CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CHEMBL1535,5.63
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.36
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.66
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,6.63
+CC(C)Cn1cnc2c(N)nc3ccccc3c21,CHEMBL1282,5.89
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.06
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.27
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.8
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,7.62
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,7.39
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,7.39
+Clc1cccc(Cl)c1NC1=NCCN1,CHEMBL134,6.23
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,8.39
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,7.03
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.24
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.22
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,8.44
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,5.79
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.13
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,7.85
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,7.25
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.27
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,7.77
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,8.71
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.24
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.28
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.06
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.28
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,4.78
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,9.05
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.82
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,8.21
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.05
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,6.13
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.35
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,9.02
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.87
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,7.32
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.8
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,5.99
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.71
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.39
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.82
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,7.7
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,6.26
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,6.59
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.17
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,5.74
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,4.88
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.89
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.54
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.61
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,8.31
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.15
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.32
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,7.57
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,7.14
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.72
+COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946777,9.09
+c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1946778,7.5
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1,CHEMBL1946779,8.2
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946780,8.41
+O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946781,6.41
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1946782,6.85
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1,CHEMBL1946783,6.81
+O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946785,7.03
+COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O,CHEMBL1946786,8.24
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1,CHEMBL1946787,7.17
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1,CHEMBL1946788,7.17
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1,CHEMBL2153551,8.05
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1,CHEMBL2153552,6.49
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1,CHEMBL2153553,9.43
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1,CHEMBL2153554,7.78
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1,CHEMBL2153555,9.15
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1,CHEMBL2153556,8.4
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1,CHEMBL2153557,9.31
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1,CHEMBL2153558,8.13
+COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1,CHEMBL2153559,7.1
+COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1,CHEMBL2153560,6.58
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261608,8.13
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1,CHEMBL2261607,8.44
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261606,8.32
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261605,8.81
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261604,8.49
+COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312227,8.94
+c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312537,8.44
+COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312536,7.6
+COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312225,7.18
+c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312538,7.08
+COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312226,6.14
+O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CHEMBL394755,5.39
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.2
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2,CHEMBL3217244,7.08
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2,CHEMBL3216590,7.89
+COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419766,5.87
+COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419765,6.2
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2,CHEMBL2419772,7.74
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2,CHEMBL2419771,8.65
+COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419770,7.74
+COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419769,8.72
+COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,CHEMBL2441082,5.35
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.53
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.23
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.1
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298745,9.24
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298746,9.04
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298747,8.49
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298748,8.93
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298749,9.43
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298750,9.85
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3297829,10.25
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298017,9.0
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298018,8.39
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1,CHEMBL3298019,8.78
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298020,8.3
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298021,8.48
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298022,8.26
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298023,9.12
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298024,8.64
+c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL3343975,6.48
+Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343976,6.31
+Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343977,6.69
+COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343978,6.67
+Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12,CHEMBL3343979,6.32
+COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL532818,5.7
+c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL533979,6.51
+Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343980,6.32
+COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1,CHEMBL3343981,6.43
+Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343982,6.31
+COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343983,6.64
+COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL3343984,6.12
+COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1,CHEMBL3342852,7.83
+COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1,CHEMBL3341769,7.6
+COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1,CHEMBL3342853,8.33
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)CC3)O2)CC1,CHEMBL3342854,7.37
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1,CHEMBL3342855,7.29
+COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1,CHEMBL3342856,7.43
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1,CHEMBL3342857,8.09
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1,CHEMBL3342858,7.64
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342859,7.69
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342860,7.96
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1,CHEMBL3342861,7.55
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1,CHEMBL3342862,7.4
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1,CHEMBL3342863,7.57
+COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1,CHEMBL3342864,7.05
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1,CHEMBL3342865,6.38
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342866,7.91
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1,CHEMBL3342867,7.97
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1,CHEMBL3342868,8.15
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342869,7.58
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1,CHEMBL3342870,8.24
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1,CHEMBL3342871,9.04
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1,CHEMBL3342872,8.01
+COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1,CHEMBL3342873,7.63
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1,CHEMBL3342874,7.88
+CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2,CHEMBL3342875,7.72
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1,CHEMBL3342876,7.45
+CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582272,7.56
+COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC,CHEMBL3582271,7.68
+CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582270,9.4
+Fc1ccc2c(C3CCN(CCCN4CCc5ccccc5C4)CC3)c[nH]c2c1,CHEMBL3609360,7.8
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.33
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739897,7.64
+c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739932,7.84
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,5.88
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.95
+N#Cc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3799166,8.07
+N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3800606,9.07
+N#Cc1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl,CHEMBL3799115,7.96
+CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3799553,8.96
+CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3800506,8.32
+CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl,CHEMBL3799869,8.03
+N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)cc(C(N)=O)c1,CHEMBL3799912,8.43
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1,CHEMBL3798527,7.19
+C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3797887,6.89
+C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3799292,8.8
+CC(c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3800470,8.47
+CC(c1cccc(S(C)(=O)=O)c1)n1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3800449,7.82
+CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3798124,9.18
+CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3799783,7.28
+N#Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3798655,8.0
+N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1,CHEMBL3799486,7.59
+COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3799089,8.06
+Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1,CHEMBL3799420,8.12
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1,CHEMBL3797369,7.64
+N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1,CHEMBL3800305,8.59
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1Cl,CHEMBL3799219,7.41
+N=c1c(C(N)=O)cc(Cl)cn1CCCc1ccccc1,CHEMBL3799155,7.27
+N=c1c(C(N)=O)cc(Cl)cn1CCc1ccccc1,CHEMBL3800219,7.8
+N=c1c(C(N)=O)cc(Cl)cn1Cc1cccnc1,CHEMBL3799335,6.6
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccn1,CHEMBL3800485,6.38
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccco1,CHEMBL3798506,6.8
+CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N,CHEMBL3797685,6.09
+N=c1c(C(N)=O)cccn1Cc1ccccc1,CHEMBL3799440,6.06
+N=c1c(C(N)=O)cc(Br)cn1Cc1ccccc1,CHEMBL3797500,6.8
+N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1,CHEMBL3797529,7.52
diff --git a/chembl_200/CHEMBL224.csv b/chembl_200/CHEMBL224.csv
new file mode 100644
index 0000000000000000000000000000000000000000..92717e89cce6318ea10c809dbeeaad843a64c324
--- /dev/null
+++ b/chembl_200/CHEMBL224.csv
@@ -0,0 +1,2768 @@
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,7.19
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,8.44
+Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL297784,5.745
+c1cc2c3c(c1)c1c(n3CCNC2)CCCCCC1,CHEMBL89738,7.44
+c1cc2c3c(c1)c1c(n3CCNC2)CCC1,CHEMBL315480,6.04
+CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL131482,8.4
+CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL89934,8.1
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCCCC2)cc1,CHEMBL91205,8.577
+COC[C@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91122,5.52
+CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL330303,9.72
+CCN(C)CCc1c(-c2cccs2)[nH]c2ccccc12,CHEMBL92416,8.77
+CN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91447,8.36
+CCN(C)CCc1c(-c2ccccc2F)[nH]c2ccccc12,CHEMBL91197,9.52
+CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL90911,9.89
+CCN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91549,9.85
+CCN(C)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL328459,9.37
+CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12,CHEMBL90837,9.85
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCCC2)cc1,CHEMBL90347,8.05
+CCN(C)CCc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12,CHEMBL91542,8.59
+COC[C@@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91446,9.59
+C[C@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90739,8.4
+CCN(CC)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL328257,8.55
+CCN(C)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL91463,8.46
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCC2)cc1,CHEMBL90092,7.36
+CCN(C)CCc1c(-c2cccc(F)c2)[nH]c2ccccc12,CHEMBL328595,10.1
+C[C@@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90263,9.74
+CN(C)CC1C[C@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL96732,6.99
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL327651,6.98
+O=C(c1ccc(F)cc1)C1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL328662,6.36
+CNCC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329685,7.31
+CN1CCN(CC2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1,CHEMBL316068,7.76
+CN(C)CC1C[C@@H]2c3ccccc3Sc3ccccc3[C@H]2O1,CHEMBL327306,7.51
+CN(C)CC1C[C@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL330713,7.03
+c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1,CHEMBL314968,7.16
+OCCN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL92337,7.06
+CNC[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL2112371,7.13
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1,CHEMBL328573,8.6
+CN(C)CC1C[C@@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL96158,7.43
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,8.6
+Clc1cccc(N2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1,CHEMBL92333,7.25
+CN(C)CC1C[C@@H]2c3ccccc3N(C)c3ccccc3[C@H]2O1,CHEMBL328356,7.09
+CN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL318659,6.36
+CN(C)CC1C[C@@H]2c3ccccc3OCc3ccccc3[C@H]2O1,CHEMBL93321,7.04
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329268,7.71
+CN(C)CC1C[C@@H]2c3ccccc3COc3ccccc3[C@H]2O1,CHEMBL328209,5.97
+c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)cc1,CHEMBL96471,5.96
+c1ccc2c(c1)Cc1ccccc1[C@H]1CC(CN3CCOCC3)O[C@H]21,CHEMBL96429,6.36
+CN(C)CC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL92667,7.66
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL497877,9.37
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL496852,7.99
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1,CHEMBL496687,9.47
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1,CHEMBL507898,9.6
+c1ccc(-c2[nH]c3ccccc3c2C2CNCCO2)cc1,CHEMBL40284,7.74
+O=C1NCCN1CCN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL295596,7.59
+CN1CCN(C)C(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL40229,6.49
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL523585,9.16
+c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1,CHEMBL295559,7.92
+O[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL2368748,8.48
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccoc3)[nH]c2c1,CHEMBL2368734,9.27
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1,CHEMBL497054,9.96
+COC(=O)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F,CHEMBL507727,7.98
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2C2CCCNC2)cc1,CHEMBL296512,10.05
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1,CHEMBL496860,9.64
+c1ccc(CCN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL44310,7.23
+Fc1cccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c12,CHEMBL498729,9.34
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c2c1,CHEMBL504699,10.22
+F[C@H]1CCNC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL2368733,6.66
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1,CHEMBL523245,9.92
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1,CHEMBL523760,9.46
+c1ccc(CCN2[C@H]3CC[C@@H]2CC(c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1,CHEMBL2113667,8.92
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c[nH]c2c1,CHEMBL2368745,7.15
+c1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1,CHEMBL40584,9.31
+Fc1ccc2[nH]c(-c3ccccc3)c([C@@H]3CNCC[C@H]3F)c2c1,CHEMBL497878,8.4
+CN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL43819,8.33
+c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL46523,7.7
+CN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL43697,7.85
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12,CHEMBL498048,8.64
+c1ccc(-c2[nH]c3ccccc3c2C2CCCNC2)cc1,CHEMBL42557,9.0
+O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F,CHEMBL497064,10.05
+CCOc1c(OC)cc(CCN)cc1OC,CHEMBL319415,6.67
+COc1cc(CCN)cc(OC)c1OC,CHEMBL26687,6.26
+CC1(C)Cc2c(c3cccc4c3n2CCNC4)C(C)(C)C1,CHEMBL314019,6.82
+Cc1cc2c3c(c1)c1c(n3CCNC2)CCCC1,CHEMBL89070,5.91
+C[C@@H]1Cn2c3c(c4cccc(c42)CN1)CCCC3,CHEMBL89497,5.81
+Cc1cc2c3c(c1)c1c(n3CCNC2)CCC1,CHEMBL330058,5.6
+c1cc2c3c(c1)c1c(n3CCNC2)CCCCC1,CHEMBL314832,6.7
+COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2,CHEMBL307770,5.07
+CC(N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL149024,10.4
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1,CHEMBL62919,9.705
+COc1ccc2[nH]cc(C(C)CN)c2c1,CHEMBL149564,8.66
+N[C@H]1C[C@@H]1c1c[nH]c2ccccc12,CHEMBL357702,6.88
+NC1CC1c1c[nH]c2ccccc12,CHEMBL358810,6.79
+CC(CN)c1c[nH]c2ccccc12,CHEMBL148463,7.39
+NC1CC1c1c[nH]c2ccc(F)cc12,CHEMBL147656,7.99
+COc1ccc2[nH]cc(C3CC3N)c2c1,CHEMBL147434,7.51
+N[C@@H]1C[C@H]1c1c[nH]c2ccccc12,CHEMBL358522,7.01
+COc1cccc2[nH]cc(C3CC3N)c12,CHEMBL148091,7.34
+Fc1ccc(CCN2CCC3(CCc4ccccc4C3)CC2)c(F)c1,CHEMBL150210,8.54
+Fc1ccc(CCN2CCC3(CCc4cccc(F)c4O3)CC2)c(F)c1,CHEMBL149423,8.48
+Fc1ccc2c(c1)CCC1(CCN(C3CCc4ccccc4C3)CC1)O2,CHEMBL423206,7.02
+N#Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL150220,8.59
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL145939,9.48
+NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL148058,9.28
+O=C(CCCN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL343411,7.82
+N#Cc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL148103,6.82
+N#Cc1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL147048,9.18
+OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL146144,9.4
+O=S(=O)(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL358075,9.38
+COc1ccc2c(c1)CCC1(CCN(CCN3CCNC3=O)CC1)O2,CHEMBL357883,6.01
+O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL122761,7.8
+O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2,CHEMBL146595,9.39
+O=S(=O)(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL358839,6.2
+O=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL148565,7.82
+Fc1ccc(CCN2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1,CHEMBL148348,8.51
+OC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1,CHEMBL149510,7.51
+Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1,CHEMBL147431,8.62
+COc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2,CHEMBL357807,9.44
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL146620,8.62
+c1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1,CHEMBL148418,7.8
+NC(=O)c1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL146485,9.3
+O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL149429,8.85
+Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1,CHEMBL147164,8.3
+COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL146233,8.74
+N#Cc1ccccc1S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL146998,9.28
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL148280,8.92
+Fc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1,CHEMBL359270,7.8
+Nc1cccc(-c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2)n1,CHEMBL87187,7.85
+C[C@H](N)CN1CCc2ccc(Cl)cc21,CHEMBL76307,6.44
+CSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL451543,6.77
+CCSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL80862,6.74
+C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21,CHEMBL80246,6.36
+CCSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL80731,7.24
+C[C@H](N)CN1CCc2ccc(Br)cc21,CHEMBL309760,6.45
+C[C@H](N)CN1CCc2cc(F)c(I)cc21,CHEMBL76301,6.86
+C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21,CHEMBL76781,7.438
+C[C@H](N)CN1CCc2cc(F)c(Cl)cc21,CHEMBL80366,6.78
+CSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL76474,7.28
+C[C@H](N)CN1CCc2ccc3c(c21)CCO3,CHEMBL77880,6.95
+C[C@H](N)CN1CCc2ccc3c(c21)CCCO3,CHEMBL80482,6.4
+Clc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL311726,7.09
+CCOc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)cc1,CHEMBL77418,6.74
+Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CCNCCC2C3)c1,CHEMBL311614,7.15
+Fc1ccccc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310844,6.85
+CCOc1ccccc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL312762,6.683
+CCCN1CCc2cc3ccccc3n2CC1,CHEMBL80603,7.25
+O=Cc1c2n(c3ccccc13)CCNCC2,CHEMBL310473,7.54
+Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCCC1C2,CHEMBL310540,6.99
+N#Cc1c2n(c3ccccc13)CCNCC2,CHEMBL78164,7.08
+Cc1ccccc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310497,7.06
+CCN1CCc2cc3ccccc3n2CC1,CHEMBL308958,7.52
+FC(F)(F)c1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL77701,7.16
+c1ccc2c(c1)CC1CCNCCN21,CHEMBL306540,6.09
+Cn1c2c(c3ccccc31)CCNCC2,CHEMBL6557,7.72
+O=C(c1c2n(c3ccccc13)CCNCC2)C(F)(F)F,CHEMBL310090,7.4
+Cc1c2n(c3ccccc13)CCNCC2,CHEMBL312742,7.92
+NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2,CHEMBL79153,6.5
+CCOc1ccccc1-c1ccc2c(c1)N1CCNCCC1C2,CHEMBL305655,5.8
+c1cc2c3c(c1)c1c(n3CCO2)CCNCC1,CHEMBL76494,8.39
+NC(=O)c1c2n(c3ccccc13)CCNCC2,CHEMBL312222,7.34
+CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)c1,CHEMBL75738,6.63
+CCOc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL76099,6.237
+Clc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)c(Cl)c1,CHEMBL309570,6.37
+CCOc1ccccc1-c1cc(Cl)cc2cc3n(c12)CCNCC3,CHEMBL76153,7.49
+Clc1c2n(c3ccccc13)CCNCC2,CHEMBL77234,8.19
+CN1CCc2cc3ccccc3n2CC1,CHEMBL312179,7.55
+Fc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)cc1,CHEMBL80706,6.84
+c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL310620,8.0
+c1ccc2c(c1)cc1n2CCNCC1,CHEMBL312258,7.74
+COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310984,6.12
+Cc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL76645,6.795
+Fc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28997,6.63
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,5.64
+Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL282424,6.62
+C=Cc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL29808,6.29
+c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5ncccc45)CC3)cc2)cc1,CHEMBL287671,5.71
+FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL283036,5.55
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,6.34
+CCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL282829,6.2
+CN(C)CCSc1nc2ccccc2s1,CHEMBL161846,6.0
+CN(C)CCSc1cccc(C2CCCCC2)n1,CHEMBL158402,6.64
+CN(C)CCSC(C)(C)C,CHEMBL158973,7.0
+CN(C)CCSc1nc(C(C)(C)C)cs1,CHEMBL161203,5.92
+CN(C)CCSc1cccc(-c2ccccc2)n1,CHEMBL161765,6.49
+CN(C)CCSc1cccc(Br)n1,CHEMBL158285,6.57
+CN(C)CCSc1nc(-c2ccccc2)cs1,CHEMBL345803,6.19
+CN(C)CCSc1cccc(C2(O)CCCCC2)n1,CHEMBL159143,6.32
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,9.145
+OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL18972,8.603
+O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19259,8.28
+OC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL18904,6.9
+O=C(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL19589,8.02
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,6.0
+CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL97450,6.59
+CN(C)CCc1c[nH]c2sccc12,CHEMBL13086,6.97
+CN(C)CCc1c[nH]c2ccsc12,CHEMBL13147,6.56
+OC(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL75065,7.88
+O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2I)CC1,CHEMBL76009,6.72
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL73979,8.44
+OC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL420010,8.79
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL77855,9.04
+O=[N+]([O-])c1ccc(C(O)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL74317,8.94
+O=C(c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL75723,8.03
+O=C(c1ccc(F)cc1)C1CCN(Cc2cccc(I)c2)CC1,CHEMBL74887,7.9
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL74756,8.71
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL78218,8.02
+O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(I)cc2)CC1,CHEMBL76940,6.64
+O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL306478,9.29
+OC(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL415072,7.49
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,8.96
+NCCc1cn2c3c(cccc13)CCC2,CHEMBL171774,6.1
+CC1CCc2cc(F)cc3c(CCN)cn1c23,CHEMBL355474,5.63
+CNCCc1cn2c3c(cc(F)cc13)CCC2C,CHEMBL170319,5.84
+NCCc1cn2c3c(cc(Cl)cc13)SCC2,CHEMBL172159,6.2
+Cc1c(CCN)c2cc(F)cc3c2n1C(C)CC3,CHEMBL353998,6.02
+Cc1c(CCN)c2cccc3c2n1CCC3,CHEMBL170854,6.17
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,5.32
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,5.47
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,8.7
+C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL135076,8.44
+NCCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL27173,8.31
+Cn1cc(CCN)c2c3c(ccc21)OCCC3,CHEMBL25800,8.09
+CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL412876,7.77
+c1ccc(CCN2C3CCC2CC(N2CCC(c4c(-c5ccccc5)[nH]c5ccccc45)CC2)C3)cc1,CHEMBL330482,8.755
+CN1[C@H]2CC[C@@H]1C[C@@H](N1CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC1)C2,CHEMBL3084807,8.89
+c1ccc(CN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1,CHEMBL327169,7.55
+c1ccc(-c2[nH]c3ccccc3c2C2CC3CCC(C2)N3)cc1,CHEMBL501295,8.74
+CN1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1,CHEMBL91667,8.11
+O=C1NCCN1CCN1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1,CHEMBL330454,8.14
+CC(N)Cn1ccc2ccc3ccccc3c21,CHEMBL39347,7.42
+CC(CN)n1ccc2ccc3ccccc3c21,CHEMBL42923,5.37
+CC(N)Cc1c[nH]c2ccc3ccccc3c12,CHEMBL40815,8.52
+CN(C)CCn1ccc2cc(F)c(F)cc21,CHEMBL40816,6.415
+Clc1cccc2cc3n(c12)CCNC3,CHEMBL288445,6.34
+CN(C)CCn1ccc2ccccc21,CHEMBL38633,6.205
+COc1c2n(c3ccc(Cl)cc13)CCNC2,CHEMBL289061,7.055
+Clc1ccc2cc3n(c2c1)CCNC3,CHEMBL290779,7.17
+c1ccc2c(c1)cc1n2CCNC1,CHEMBL6393,6.09
+Cc1c2n(c3ccc(Cl)cc13)CCNC2,CHEMBL40879,5.9
+COc1ccc2ccn(CCN(C)C)c2c1,CHEMBL38742,5.98
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,6.33
+N#Cc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1,CHEMBL43677,6.78
+N#Cc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1,CHEMBL43655,5.53
+N#Cc1cccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3F)C2)c1,CHEMBL42264,5.63
+CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1,CHEMBL295832,6.71
+CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,CHEMBL46905,5.87
+N#Cc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)C2)c1,CHEMBL42507,6.75
+COc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1,CHEMBL43666,6.21
+N#Cc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1,CHEMBL42948,6.11
+N#Cc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3F)C2)c1,CHEMBL43818,5.65
+COc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1,CHEMBL47220,6.04
+COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1,CHEMBL42388,6.65
+N#Cc1cccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3)C2)c1,CHEMBL295229,5.64
+CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL440513,7.16
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1O,CHEMBL104308,7.64
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4C)CC3)nc2N)cc1,CHEMBL105372,7.94
+CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL321785,6.92
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1,CHEMBL104636,7.74
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc1,CHEMBL324892,8.24
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1Cl,CHEMBL106176,7.93
+COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL107847,7.22
+Nc1nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(N)c1Cc1ccccc1,CHEMBL106911,7.21
+COc1cc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc(OC)c1OC,CHEMBL104709,8.37
+COc1cccc(Cc2c(N)nc(SCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2N)c1,CHEMBL107860,7.35
+Nc1nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc(N)c1Cc1ccccc1O,CHEMBL107912,7.03
+COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1N,CHEMBL106794,7.32
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccc(C)cc4)CC3)nc2N)cc1,CHEMBL104903,7.9
+NCCc1ccccc1,CHEMBL610,4.77
+NCc1c2ccccc2cc2ccccc12,CHEMBL46449,5.64
+NCC(c1ccccc1)c1ccccc1,CHEMBL10780,5.34
+CC1(CN)c2ccccc2Cc2ccccc21,CHEMBL46566,7.19
+NCC1Cc2ccccc2-c2ccccc21,CHEMBL46788,6.15
+NCC12CC(c3ccccc31)c1ccccc12,CHEMBL295814,5.17
+c1ccc2c(c1)Cc1cccc3c1C2CNC3,CHEMBL44893,6.53
+NCC12CCC(c3ccccc31)c1ccccc12,CHEMBL46979,6.11
+CC1(C)c2ccccc2C(CN)c2ccccc21,CHEMBL298271,6.48
+NCC1c2ccccc2-c2ccccc21,CHEMBL415906,5.35
+CC(N)C1c2ccccc2Cc2ccccc21,CHEMBL45207,6.71
+NCC1c2ccccc2Cc2ccccc21,CHEMBL47482,7.7
+NCC1c2ccccc2CCc2ccccc21,CHEMBL44819,6.95
+NCC1CC2c3ccccc3C1c1ccccc12,CHEMBL42841,5.02
+NCCc1ccccc1Cc1ccccc1,CHEMBL297538,5.74
+NCC1c2ccccc2C=Cc2ccccc21,CHEMBL46619,5.38
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL11,6.915
+c1ccc2c(c1)Cc1ccccc1C21CCCNC1,CHEMBL74766,7.0
+c1ccc2c(c1)Cc1ccccc1C21CCNC1,CHEMBL307956,8.4
+CNCC1c2ccccc2Cc2ccccc21,CHEMBL73307,7.28
+c1ccc2c(c1)CCc1ccccc1C21CCNC1,CHEMBL72611,6.96
+c1ccc(C2(c3ccccc3)CCNC2)cc1,CHEMBL76281,5.34
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL444342,7.98
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL166310,9.275
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL166366,7.92
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL349057,8.55
+Nc1ccc(F)cc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165723,7.82
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL163261,8.51
+O=CNc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164744,7.05
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL348977,9.1
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL352686,8.43
+Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165126,8.12
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccc(F)cc1,CHEMBL352648,8.6
+CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162102,8.12
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL354005,9.52
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL349683,9.22
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL165780,9.7
+Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL424384,7.15
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL349151,8.38
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccccc1,CHEMBL350567,8.57
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL352194,9.15
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL163742,9.1
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351459,8.18
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL163904,8.92
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351247,8.82
+CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164338,7.29
+CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL163895,7.96
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL351708,8.8
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL165897,9.05
+Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL352182,7.1
+CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL168051,7.21
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL351592,9.3
+Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164909,7.05
+CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162768,9.1
+CCC(=O)N(C1CCCCCCC1)C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL81377,7.7
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.7
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2ccccc21,CHEMBL155124,6.01
+COc1ccc2c(c1)CC(CN1CCN(c3ccccc3OC)CC1)CC2=O,CHEMBL155426,6.05
+COc1cc2c(cc1OC)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL155257,7.983
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,6.29
+COc1cc2c(cc1OC)C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2,CHEMBL157046,5.63
+COc1ccc2c(c1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL153956,7.83
+COc1ccc2c(c1)CC(CN1CCN(c3ccccn3)CC1)CC2=O,CHEMBL348617,6.16
+COc1cc2c(cc1OC)C(=O)CC(CN1CCN(c3ccccn3)CC1)C2,CHEMBL154244,6.18
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,CHEMBL45244,5.4
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.9
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.6
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,6.3
+COc1cc(CC(C)N)c(OC)cc1Br,CHEMBL6607,7.39
+COc1ccc2[nH]cc(CCN3CCCCC3)c2c1,CHEMBL292921,6.72
+COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br,CHEMBL61207,7.55
+COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br,CHEMBL57826,7.745
+COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)cc1,CHEMBL60585,7.845
+COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1,CHEMBL58133,7.775
+CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71838,6.77
+COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71635,6.61
+COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL69385,6.85
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,7.12
+CNC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CCN(c2ccc(OC)cc2)CC1,CHEMBL71798,6.23
+COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,CHEMBL71907,6.66
+Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1,CHEMBL172269,5.2
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL42024,6.8
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL276140,6.4
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,6.8
+CSc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL265991,5.6
+CC(N)Cn1ccc2c1-c1cc(F)ccc1C2(C)C,CHEMBL94272,7.5
+CC(N)Cn1ccc2c1-c1cc(F)ccc1C2,CHEMBL93154,6.7
+COc1ccc2c(c1)-c1c(ccn1C[C@@H](C)N)C2,CHEMBL3350300,6.9
+Cc1ccc2ccn(CC(C)N)c2c1,CHEMBL92040,6.1
+C[C@@H](N)Cn1ccc2cc(F)c(F)cc21,CHEMBL2115252,7.0
+CC(N)Cc1c[nH]c2ccc(F)cc12,CHEMBL96816,7.2
+CC(N)Cn1ccc2cc(Cl)c(F)cc21,CHEMBL313856,7.4
+COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2,CHEMBL2114265,6.9
+Cc1cccc2c1ccn2CC(C)N,CHEMBL317677,7.0
+C[C@H](N)Cn1ccc2c(Cl)c(F)ccc21,CHEMBL2114266,7.4
+CC(N)Cn1ccc2cc(Cl)ccc21,CHEMBL328844,6.7
+C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc21,CHEMBL574985,7.1
+COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C,CHEMBL318639,8.0
+COc1ccc2c(c1)Cc1ccn(CC(C)N)c1-2,CHEMBL273304,6.4
+CC(N)Cn1ccc2c1-c1cc(Cl)ccc1C2,CHEMBL91855,6.7
+CC(N)Cn1ccc2c(F)cccc21,CHEMBL92565,6.8
+Cc1ccc2c(ccn2CC(C)N)c1,CHEMBL93850,6.1
+CC(N)Cn1ccc2cc(F)ccc21,CHEMBL96883,6.8
+CC(N)Cn1ccc2ccc(F)cc21,CHEMBL92656,6.6
+COc1cccc2c1Cc1ccn(CC(C)N)c1-2,CHEMBL319998,5.5
+COc1cccc2c1-c1c(ccn1CC(C)N)C2,CHEMBL96876,6.4
+CC(N)Cn1ccc2cc(Br)ccc21,CHEMBL276673,6.8
+COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2,CHEMBL414163,6.9
+Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C,CHEMBL328761,7.0
+CC(N)Cn1ccc2c1-c1cc(Br)ccc1C2,CHEMBL320145,7.0
+C[C@@H](N)Cn1ccc2c(Cl)c(F)ccc21,CHEMBL2115254,8.0
+Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2,CHEMBL96312,7.2
+Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3,CHEMBL315223,5.54
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,6.0
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(-c2ccccc2)cc1,CHEMBL97637,6.3
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,6.0
+O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3cc(F)ccc32)CC1,CHEMBL9446,7.37
+O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3cc(F)ccc32)CC1,CHEMBL9951,8.16
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL429202,7.13
+O=C1c2ccccc2CCCN1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL267062,8.77
+O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3ccccc32)CC1,CHEMBL9952,7.71
+O=C(c1ccc(F)cc1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1,CHEMBL9616,7.77
+Cc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1,CHEMBL9770,7.26
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.52
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL273821,6.01
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccccc2)CC1,CHEMBL9564,6.81
+O=C(c1ccc(Cl)cc1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1,CHEMBL275343,7.11
+O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3cc(F)ccc32)CC1,CHEMBL9347,7.31
+O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3ccccc32)CC1,CHEMBL275475,6.57
+O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL275258,6.65
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1,CHEMBL9250,6.73
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccc(F)cc2)CC1,CHEMBL275451,7.5
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.492
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,5.0
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,7.8
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,5.8
+O=C(Nc1cccnc1)N1CCc2cc(I)c(Cl)cc21,CHEMBL43929,7.0
+CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL289436,5.5
+COc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL42257,5.4
+O=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21,CHEMBL296189,6.8
+CC(=O)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL43496,5.5
+O=C(Nc1cccnc1)N1CCc2cc(Br)cc([N+](=O)[O-])c21,CHEMBL295228,5.4
+Cc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2,CHEMBL296090,7.2
+CCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL43808,6.4
+CSc1c(Cl)cc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL417713,7.2
+CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL297445,6.2
+CSc1cc2c(cc1Br)CCN2C(=O)Nc1cccnc1,CHEMBL295020,5.6
+O=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)ccc21,CHEMBL296236,5.3
+CSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL38027,5.4
+O=C(Nc1cccnc1)N1CCc2ccc(C(F)(F)F)cc21,CHEMBL288108,6.3
+O=C(Nc1cccnc1)N1CCc2c1ccc(Cl)c2Cl,CHEMBL289063,6.2
+O=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)c(Cl)cc21,CHEMBL40579,5.4
+O=C(Nc1cccnc1)N1CCc2c(Cl)cccc21,CHEMBL38407,5.4
+O=C(Nc1cccnc1)N1CCc2cc(OCC3CC3)c(C(F)(F)F)cc21,CHEMBL290666,5.4
+O=C(Nc1cccnc1)N1CCc2cc(Cl)c(Cl)cc21,CHEMBL297043,6.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL14352,6.0
+CCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41510,5.8
+Cc1c(Cl)cc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL42681,7.5
+CCCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL296687,5.9
+CCOc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL44206,5.4
+CSc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL41940,6.3
+COc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL416806,5.8
+CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL44015,5.6
+O=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21,CHEMBL42806,5.9
+Cc1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL41153,5.3
+Cc1ccc2c(c1I)CCN2C(=O)Nc1cccnc1,CHEMBL42276,5.6
+Cc1cc2c(cc1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL44095,6.4
+CC(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL40698,5.7
+Cc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1,CHEMBL42463,6.9
+CC(C)(C)c1ccc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL44552,6.2
+CSc1ccc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL431729,5.3
+Cc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL43916,7.2
+CSc1cc2c(cc1C#N)N(C(=O)Nc1cccnc1)CC2,CHEMBL42758,5.6
+CC(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL43633,5.7
+CSc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2,CHEMBL288129,6.3
+O=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21,CHEMBL290395,5.6
+O=C(Nc1cccnc1)N1CCc2ccc(Cl)cc21,CHEMBL38911,6.1
+O=C(Nc1cccnc1)N1CCc2ccc(Cl)c(Cl)c21,CHEMBL41347,5.3
+CSc1cc2c(cc1OC(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL296791,5.5
+CC(C)Sc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL40699,5.3
+COC(=O)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL40341,5.2
+CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41389,5.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL14255,6.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14374,6.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2,CHEMBL14726,7.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2,CHEMBL14606,5.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2,CHEMBL14401,6.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2,CHEMBL14863,7.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2,CHEMBL274066,6.7
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2,CHEMBL14841,6.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2,CHEMBL280322,5.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2,CHEMBL280465,5.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2,CHEMBL14652,5.8
+CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1,CHEMBL416896,6.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccccn3)c1)CC2,CHEMBL14548,6.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cnccc3C)c1)CC2,CHEMBL273345,6.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2,CHEMBL277732,5.9
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL428879,7.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2,CHEMBL14469,5.9
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14460,6.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2,CHEMBL14458,6.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2,CHEMBL278267,5.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2,CHEMBL14345,7.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2,CHEMBL280297,6.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2,CHEMBL14864,7.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2,CHEMBL14276,6.9
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2,CHEMBL14076,6.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1C)CC2,CHEMBL14462,6.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2,CHEMBL446942,6.0
+COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1,CHEMBL276571,6.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2,CHEMBL417082,6.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2,CHEMBL299506,6.2
+CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL52919,6.3
+Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1,CHEMBL292228,6.8
+Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL59584,6.8
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2,CHEMBL294030,7.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL58765,6.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1,CHEMBL56050,5.5
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1,CHEMBL55079,7.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1,CHEMBL299726,6.5
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1,CHEMBL55292,6.3
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1,CHEMBL301784,6.6
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2,CHEMBL53793,6.1
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2,CHEMBL299938,7.1
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2,CHEMBL55964,6.9
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2,CHEMBL53308,6.2
+Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL56336,6.1
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2,CHEMBL55331,8.1
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL56508,6.6
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1,CHEMBL54610,5.6
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL301012,6.9
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1,CHEMBL433060,5.8
+CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55792,6.7
+CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55472,6.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1,CHEMBL291510,6.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1,CHEMBL299530,6.3
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1,CHEMBL53152,6.9
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL54560,6.6
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2,CHEMBL55207,7.8
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL52308,5.8
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2,CHEMBL55969,7.0
+Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1,CHEMBL53939,6.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2,CHEMBL54719,6.2
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2,CHEMBL55914,7.4
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2,CHEMBL55344,7.0
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2,CHEMBL55784,6.8
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2,CHEMBL52592,5.7
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2,CHEMBL291949,7.1
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21,CHEMBL300618,5.3
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21,CHEMBL52783,5.3
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2,CHEMBL55597,6.6
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2,CHEMBL54707,6.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2,CHEMBL55335,6.4
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21,CHEMBL55388,5.6
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21,CHEMBL56405,6.6
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2,CHEMBL54484,6.8
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2,CHEMBL432879,6.6
+Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1,CHEMBL23038,5.84
+COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL93862,9.0
+COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL432217,6.4
+COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1,CHEMBL310656,7.7
+COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90346,7.9
+COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90470,6.9
+COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL91221,8.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1,CHEMBL88193,5.7
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,7.7
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1,CHEMBL90175,6.1
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1,CHEMBL89967,5.6
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL88402,6.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL91454,5.9
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1,CHEMBL88571,5.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL88894,6.1
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,8.738
+COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1,CHEMBL90467,5.7
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL90565,6.0
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C,CHEMBL282693,8.3
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1,CHEMBL15933,6.0
+Cc1cc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)ccc1Br,CHEMBL21369,6.5
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CCO5)cc3)c(C)c2)no1,CHEMBL20791,8.4
+COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,CHEMBL282229,6.5
+Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1,CHEMBL281350,5.8
+Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1,CHEMBL21724,7.3
+Cc1cc(C(=O)Nc2ccc(C)c(N3CCN(C)CC3)c2)ccc1Br,CHEMBL20771,6.9
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C,CHEMBL20963,7.3
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL15928,7.585
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C,CHEMBL21790,8.2
+COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1,CHEMBL277467,6.7
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,5.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.0
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,7.2
+O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL164471,9.177
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1,CHEMBL310734,6.94
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21,CHEMBL333174,8.93
+O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95098,7.17
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,6.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,5.9
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,6.2
+NCCCN1c2ccccc2CCc2ccccc21,CHEMBL1317,6.4
+NCCC1c2ccccc2Cc2ccccc21,CHEMBL160893,6.32
+CNCCCN1c2ccccc2CCc2ccccc21,CHEMBL72,6.8
+CN(C)CC1c2ccccc2Cc2ccccc21,CHEMBL160933,6.27
+CN(C)CCCC1c2ccccc2Cc2ccccc21,CHEMBL346230,7.66
+c1ccc(CNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL349543,6.14
+NCCCC1c2ccccc2Cc2ccccc21,CHEMBL158780,7.49
+C[N+](C)(C)CC1c2ccccc2Cc2ccccc21,CHEMBL158329,5.4
+NC1c2ccccc2Cc2ccccc21,CHEMBL160610,4.92
+CNCCCC1c2ccccc2Cc2ccccc21,CHEMBL348302,7.89
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,6.13
+O=S(=O)(c1ccccc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175586,9.17
+O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175832,9.41
+N#Cc1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL368816,8.57
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1F,CHEMBL177807,8.62
+O=S(=O)(c1ccc(-n2cccn2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL178055,8.7
+O=S(=O)(c1ccc(-n2ccnn2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL174049,9.18
+O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177401,9.52
+O=S(=O)(c1ccc(Cl)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175544,9.19
+O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL176109,9.0
+O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177416,9.49
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,8.8
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,7.16
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.66
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.22
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL195856,7.42
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,7.82
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.89
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,9.435
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12,CHEMBL361929,6.54
+Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190584,7.37
+Clc1ccc2c(c1)N1CCNCC1C2,CHEMBL188605,7.49
+Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2,CHEMBL188033,7.47
+Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2,CHEMBL364534,6.99
+C[C@H]1CNC[C@@H]2Cc3ccccc3N12,CHEMBL2096711,6.37
+Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190699,8.59
+C[C@@H]1CNC[C@H]2Cc3ccccc3N12,CHEMBL2112055,8.72
+Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2,CHEMBL191054,7.56
+Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2,CHEMBL187739,8.21
+C[C@@H]1CNC[C@@H]2Cc3ccccc3N21,CHEMBL2096809,7.235
+Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2,CHEMBL425545,7.28
+Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL190124,7.66
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12,CHEMBL361079,8.12
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12,CHEMBL187888,6.96
+CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL187787,5.96
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCC[C@H](O)CC3)CC1,CHEMBL362285,7.73
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCC[C@@H](O)CC3)CC1,CHEMBL181469,7.83
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CC[C@@H](O)CCC3)CC1,CHEMBL179649,7.75
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CC[C@H](O)CCC3)CC1,CHEMBL360457,8.01
+CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,CHEMBL178803,9.09
+CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1,CHEMBL179775,8.27
+O=S(=O)(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL362487,6.22
+Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(N5CCOCC5)cc43)C[C@H]1c1ccccc1O2,CHEMBL372244,6.51
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccccc3[C@@H]2O1,CHEMBL194994,7.04
+CN(C)CC1CC2c3ccccc3Oc3ccccc3C2O1,CHEMBL2113093,7.8
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL362950,6.37
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL197135,6.98
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL371207,7.96
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL363619,8.3
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193614,7.19
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL365101,8.52
+COc1ccc2c(c1)[C@H]1O[C@@H](CN(C)C)C[C@H]1c1ccccc1O2,CHEMBL371984,6.71
+COc1ccc2c(c1)[C@H]1O[C@H](CN(C)C)C[C@H]1c1ccccc1O2,CHEMBL381664,7.66
+CCOC(=O)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL370780,7.01
+Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL373174,7.44
+Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(-c5ccccc5)cc43)C[C@H]1c1ccccc1O2,CHEMBL194442,6.51
+N#Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL363622,6.73
+O=C1CCN1c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL196932,6.51
+Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(CN5CCOCC5)cc43)C[C@H]1c1ccccc1O2,CHEMBL381000,6.72
+Nc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL370607,6.59
+CN(C)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL427007,7.02
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,6.44
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,6.57
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,7.82
+Cc1cccc(N2CCN(CCc3ccc4n[nH]nc4c3)CC2)c1C,CHEMBL184770,8.29
+c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1,CHEMBL363124,7.98
+COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1,CHEMBL183776,6.85
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1,CHEMBL181898,5.81
+c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1,CHEMBL185436,6.12
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,6.1
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.1
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.4
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,6.0
+COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL194206,5.35
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,6.77
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,6.21
+COc1ccc(NC(=O)N2CCN(c3ccc(SC)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197796,5.87
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,5.17
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,5.22
+O=C1CCc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1,CHEMBL371903,9.55
+CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL371289,9.66
+CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21,CHEMBL197870,9.77
+CC1Cc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2NC1=O,CHEMBL197614,8.97
+CC1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL372541,9.77
+O=C1CC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1,CHEMBL438980,9.74
+CC1CC(=O)Nc2c(CCN3CCN(c4noc5ccccc45)CC3)cccc21,CHEMBL382748,6.72
+Cc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)c2c1C(C)CC(=O)N2,CHEMBL440389,9.89
+CC1CC(=O)Nc2c(CCN3CCN(C4=NS(=O)c5ccccc54)CC3)cc(F)cc21,CHEMBL425208,8.65
+Cc1cc(CCN2CCN(c3noc4ccccc34)CC2)c2c(c1)C(C)CC(=O)N2,CHEMBL198599,9.55
+CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(Cl)cc21,CHEMBL194455,10.3
+CC1CC(=O)Nc2c(CCN3CCN(c4noc5ccccc45)CC3)cc(F)cc21,CHEMBL371628,9.55
+CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL194312,9.74
+CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21,CHEMBL363829,9.55
+CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL194953,9.21
+CC(=O)N1CCC(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL369913,9.52
+COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL262469,8.91
+COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(c5nsc6ccccc56)CC4)c32)c1,CHEMBL199161,8.97
+CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21,CHEMBL197677,9.23
+CC(=O)N1CCC(C)c2cc(F)cc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL372811,9.36
+CC(=O)N1CCC(C)c2c(C)ccc(CCN3CCN(c4noc5ccccc45)CC3)c21,CHEMBL197663,9.49
+CC(=O)N1CCC(C)c2cc(Cl)cc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL199182,9.51
+CC(=O)N1CCC(C)c2cc(F)cc(CCN3CCN(c4noc5ccccc45)CC3)c21,CHEMBL370659,9.54
+CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL439680,8.67
+CC(=O)N1CCC(C)c2c(C)ccc(CCN3CCN(c4nsc5ccccc45)CC3)c21,CHEMBL197990,9.12
+CN(C)CCc1cn(C)c2cccc(O)c12,CHEMBL197664,6.05
+CCCCn1cc(CCN(C)C)c2c(O)cccc21,CHEMBL198124,6.51
+CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21,CHEMBL371753,5.52
+CN(C)CCc1c[nH]c2cc(O)ccc12,CHEMBL382750,5.12
+Cc1[nH]c2cccc(O)c2c1CCN(C)C,CHEMBL370859,6.91
+CN(C)CCc1c[nH]c2cccc(F)c12,CHEMBL197646,6.47
+CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1,CHEMBL371899,5.01
+Oc1cccc2[nH]cc(CCN3CCCC3)c12,CHEMBL364061,6.37
+CN(C)Cc1c[nH]c2cccc(O)c12,CHEMBL194588,6.03
+CN(C)Cc1cn(C)c2cccc(O)c12,CHEMBL370221,6.3
+CN(C)CCCc1c[nH]c2cccc(O)c12,CHEMBL198617,6.23
+CC(Cc1c[nH]c2cccc(O)c12)N(C)C,CHEMBL194202,6.01
+COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2,CHEMBL197630,6.4
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198171,6.4
+COc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCN1CCCCC1,CHEMBL198458,5.4
+COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1,CHEMBL198097,5.8
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL197807,6.2
+COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1,CHEMBL383800,5.6
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198330,5.7
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C,CHEMBL197170,5.6
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C,CHEMBL196953,6.3
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL198109,5.5
+O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL371211,6.0
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,6.74
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.92
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL360424,8.74
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2cccs2)c1,CHEMBL361035,6.34
+O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL370134,6.89
+O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL370652,6.13
+O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL383383,6.85
+O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL373032,5.25
+Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(-c4cccs4)c3)C2)cc1,CHEMBL381019,6.21
+O=C(N[C@H]1CCN(Cc2ccc(Cl)cc2)C1)c1cccc(-c2cccs2)c1,CHEMBL197381,5.96
+COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4cccs4)cc3)C2)c1,CHEMBL427555,7.66
+O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1)c1ccc(-c2cccs2)cc1,CHEMBL370823,7.85
+O=C(N[C@H]1CCN(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL198580,7.8
+O=C(N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1,CHEMBL199186,7.66
+COc1cc(C[C@@H](C)N)c(OC)cc1I,CHEMBL134519,9.19
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,7.92
+NCCn1ncc2ccc(O)cc21,CHEMBL199385,7.7
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,7.92
+C[C@@H](N)Cn1ncc2ccc(O)cc21,CHEMBL437314,6.98
+COc1ccc2cnn(C[C@H](C)N)c2c1,CHEMBL199775,7.615
+Cc1c(O)ccc2cnn(C[C@H](C)N)c12,CHEMBL200104,8.74
+C[C@H](N)Cn1ncc2ccc(O)c(F)c21,CHEMBL197653,8.24
+C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21,CHEMBL373245,7.92
+C[C@H](N)Cn1ncc2ccc(O)c(I)c21,CHEMBL201132,7.68
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.34
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.38
+Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL379223,5.77
+COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL383042,5.8
+C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL202324,5.94
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1,CHEMBL201117,6.03
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1,CHEMBL380763,6.07
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl,CHEMBL202538,6.17
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2,CHEMBL202458,6.4
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1,CHEMBL202616,6.74
+C[C@H](N)Cn1ccc2ccc3cnccc3c21,CHEMBL202656,5.98
+C[C@H](N)Cn1ccc2ccc3ccncc3c21,CHEMBL201897,6.64
+C[C@H](N)Cn1ccc2ccc3cccnc3c21,CHEMBL201062,6.64
+C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21,CHEMBL201454,7.54
+C[C@H](N)Cn1ccc2ccc3ncccc3c21,CHEMBL201930,7.51
+Clc1ccc2c(n1)N1CCNCC1C2,CHEMBL203025,6.66
+C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21,CHEMBL383694,7.24
+C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12,CHEMBL203393,7.28
+C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21,CHEMBL203396,7.27
+C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12,CHEMBL203230,7.38
+CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206618,5.62
+CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206394,7.19
+C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL382618,6.41
+C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12,CHEMBL203013,7.13
+COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL383051,6.25
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12,CHEMBL206386,6.03
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12,CHEMBL206333,7.37
+Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206845,6.87
+COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL205671,6.29
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12,CHEMBL202795,5.59
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,5.68
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL209324,6.31
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,6.87
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,7.51
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,6.23
+O=C(c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL207386,8.54
+O=C(c1ccccc1F)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL210230,8.41
+O=S(=O)(c1ccccc1-c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL380682,8.68
+O=S(=O)(c1ccccc1-c1cccc2ccccc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL206308,8.77
+N#Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL206307,8.09
+O=S(=O)(c1ccccc1Cl)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL210413,8.21
+O=S(=O)(c1ccccc1F)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL209415,8.0
+O=S(=O)(c1cccc(F)c1)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL383530,7.85
+O=S(=O)(c1ccc(F)cc1)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL379850,7.28
+O=S(=O)(c1ccc(F)cc1)N1CC=C(CCc2ccc(F)cc2F)CC1,CHEMBL210849,7.66
+O=S(=O)(c1ccc(F)cc1)N1CCC(F)(CCc2ccc(F)cc2F)CC1,CHEMBL207064,7.62
+O=S(=O)(c1ccc(F)cc1)N1CCC(O)(CCc2ccc(F)cc2F)CC1,CHEMBL382146,6.72
+O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL207850,8.36
+N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cccc12,CHEMBL207566,9.06
+COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213839,6.2
+COc1ccc(N2CC=C(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212064,6.1
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL213272,6.4
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL212886,6.1
+COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL210053,6.8
+COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL386431,6.2
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL215864,6.6
+COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL386332,6.2
+COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209431,5.8
+COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209432,6.4
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212270,6.2
+COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL208894,6.0
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL211267,5.4
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCC1,CHEMBL211850,6.2
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209573,6.1
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL385921,6.3
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL439504,6.4
+O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1,CHEMBL213368,5.5
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL379336,6.4
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1,CHEMBL209387,6.4
+COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL214398,6.2
+COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL427398,6.1
+COc1ccc(C2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL209674,6.3
+COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL210007,5.9
+COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL438963,6.0
+COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL426684,6.4
+COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212482,6.3
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213987,6.2
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,CHEMBL212912,9.0
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL213834,9.0
+Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213424,8.54
+Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL213336,8.66
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,CHEMBL378669,9.05
+CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,CHEMBL213492,8.92
+COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,CHEMBL425069,7.86
+COc1cc(Br)c(OC)c2c1C(CN)C2,CHEMBL212197,9.14
+COc1cc(Br)c2c3c1[C@H](CN)CCC[C@@H]3CO2,CHEMBL214379,6.7
+COc1cc(Br)c2c3c1[C@@H](CN)CCC[C@@H]3CO2,CHEMBL213612,6.77
+COc1cc(Br)c(OC)c2c1C(CN)CC2,CHEMBL424890,7.28
+COc1cc(Br)c(OC)c2c1[C@@H](CN)C2,CHEMBL215781,7.82
+COc1cc(Br)c(OC)c2c1[C@H](CN)C2,CHEMBL379637,9.46
+O=C1c2ccccc2C2CNCCN12,CHEMBL376455,5.07
+O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL222514,7.23
+CC(C)Oc1cccc2c1C(=O)N1CCNCC21,CHEMBL223628,6.6
+O=C1c2c(O)cccc2C2CNCCN12,CHEMBL387344,5.78
+CSc1cccc2c1C(=O)N1CCNCC21,CHEMBL220207,6.67
+O=C1c2c(Cl)cccc2C2CNCCN12,CHEMBL223896,6.23
+O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12,CHEMBL219734,7.17
+COc1cccc2c1C(=O)N1CCNCC21,CHEMBL376456,5.48
+O=C1c2c(cccc2C(F)(F)F)C2CNCCN12,CHEMBL220274,6.96
+CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL375302,7.04
+C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL219837,6.91
+CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL2113264,7.42
+C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL223272,6.93
+C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL376676,6.44
+CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1,CHEMBL375642,5.39
+CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL223440,5.3
+COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL220157,5.35
+CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21,CHEMBL374436,6.23
+COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O,CHEMBL222466,5.75
+CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21,CHEMBL223468,7.37
+COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21,CHEMBL385577,6.09
+O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12,CHEMBL220900,6.42
+O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12,CHEMBL375575,5.83
+COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL373531,7.07
+CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223466,5.62
+Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223292,5.4
+CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1,CHEMBL220833,5.64
+O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL375170,6.24
+C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220115,5.18
+C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL222566,6.08
+CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373695,5.58
+CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373483,6.2
+CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373905,5.97
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL221113,6.37
+Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374562,6.25
+CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374660,5.42
+COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220211,5.85
+O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL374659,5.52
+CC(=O)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL223441,5.28
+O=C1c2c(cc(Cl)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL374463,5.98
+CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231350,8.8
+CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231349,7.8
+COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231249,7.6
+CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231648,7.5
+CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL397476,8.3
+Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL395525,7.7
+Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL230930,5.9
+Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1,CHEMBL230070,7.3
+Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1,CHEMBL230069,6.9
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1,CHEMBL231640,6.1
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1,CHEMBL231431,7.3
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231430,6.7
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL231334,8.3
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1,CHEMBL266018,7.8
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1,CHEMBL388247,7.9
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1,CHEMBL395501,8.3
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1,CHEMBL395072,6.2
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL234494,6.4
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C,CHEMBL397709,6.5
+COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396527,5.9
+COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234739,6.6
+COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395298,6.2
+COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234738,6.4
+COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234533,6.3
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234532,6.4
+COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395297,6.3
+COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234531,6.3
+COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396748,6.2
+COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234109,6.2
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396747,6.1
+COc1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL233899,6.1
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1,CHEMBL396505,6.0
+COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL234947,6.3
+COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232254,6.8
+COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232047,6.6
+COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395098,6.6
+COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232046,6.9
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232045,6.6
+COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O,CHEMBL231833,6.0
+COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL234948,6.8
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL397259,6.5
+COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL535626,6.3
+COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCCCC1,CHEMBL233442,6.4
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.96
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL300780,6.17
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL242644,6.16
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL396024,6.26
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,7.37
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL244989,7.18
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL394541,7.12
+O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244775,6.98
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL244774,7.24
+Cc1cccnc1-c1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL244773,7.33
+Cc1cccc(-c2ccc(C(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,CHEMBL398175,7.03
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,CHEMBL244562,7.81
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL241973,6.64
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,6.81
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL180010,7.2
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,6.48
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,7.64
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,6.05
+O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL231156,7.33
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL390253,7.81
+CC(=O)OC(CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL242434,7.05
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,7.0
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,CHEMBL243712,6.2
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,7.7
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,6.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,5.7
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,5.5
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,5.7
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,5.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,5.5
+O=S(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL240886,8.11
+O=S(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F,CHEMBL238760,8.46
+O=S(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F,CHEMBL395459,8.34
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1,CHEMBL1162962,9.07
+COc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240878,7.19
+O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F,CHEMBL240877,8.44
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F,CHEMBL240876,9.72
+N#Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL395458,8.0
+Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240680,8.09
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2Cl)nc1)c1ccccc1F,CHEMBL397112,8.74
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F,CHEMBL240865,8.59
+O=S(=O)(c1ccc(/C=C/c2ccncc2)nc1)c1ccccc1F,CHEMBL240864,6.1
+O=S(=O)(c1ccc(/C=C/c2cccc(F)c2)nc1)c1ccccc1F,CHEMBL240863,6.82
+O=S(=O)(c1ccc(/C=C/c2ccccc2F)nc1)c1ccccc1F,CHEMBL240665,8.59
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL394729,8.13
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F,CHEMBL240454,8.27
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1cccc(F)c1,CHEMBL394435,8.02
+O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL240841,7.77
+O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1,CHEMBL240840,7.55
+O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1,CHEMBL240839,7.64
+O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1,CHEMBL240246,7.72
+COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL246794,6.48
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]ncc21,CHEMBL397543,7.37
+Cc1noc2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL391985,7.76
+Cc1noc2c1C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL391984,7.39
+Cn1ncc2c1CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL246488,7.76
+Cn1ncc2c1CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL437007,7.52
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,8.67
+CN1CCN(c2ccc(C#N)c(NCc3ccccc3)c2)CC1,CHEMBL250401,7.33
+CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253096,6.14
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1,CHEMBL252430,9.17
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1,CHEMBL252429,8.78
+CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL398525,9.19
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1,CHEMBL252230,9.35
+CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252228,9.3
+CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252031,9.6
+CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252030,9.48
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,CHEMBL398711,9.82
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1,CHEMBL251834,10.1
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1,CHEMBL398744,9.26
+O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252201,9.02
+O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253878,10.4
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1,CHEMBL398619,9.02
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1,CHEMBL442290,8.61
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1,CHEMBL253439,10.0
+Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1,CHEMBL398618,8.52
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1,CHEMBL253233,8.32
+CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400236,9.12
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1,CHEMBL253024,9.52
+CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400235,9.35
+CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253022,11.0
+CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252818,11.0
+NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL404000,10.05
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,5.93
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,6.36
+Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2,CHEMBL403902,5.92
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1,CHEMBL256811,6.89
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1,CHEMBL403764,8.05
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1,CHEMBL404581,8.06
+Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1,CHEMBL404582,7.3
+CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL257944,7.54
+Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1,CHEMBL271111,7.4
+Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1,CHEMBL271318,7.96
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1,CHEMBL271317,7.89
+CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408154,7.96
+CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408155,8.3
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1,CHEMBL271212,8.66
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1,CHEMBL271419,7.7
+FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL271418,9.1
+Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL269974,9.4
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL270188,9.22
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1,CHEMBL402164,9.15
+N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL255802,7.47
+COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL401509,7.96
+Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL272082,8.6
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL402357,7.89
+CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2,CHEMBL255543,8.4
+CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2,CHEMBL273173,7.7
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,6.59
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,6.31
+CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c32)o1,CHEMBL273163,7.42
+CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c32)o1,CHEMBL403927,7.29
+CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c32)o1,CHEMBL403926,7.34
+CC(C)c1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL272755,7.06
+CCc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL407909,7.89
+Cc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL408579,9.11
+COc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL262092,8.06
+CCCc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL404970,7.19
+CCc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL261045,7.96
+Cc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL404969,7.77
+C[C@H](N)Cn1ncc2ccc3ocnc3c21,CHEMBL261046,7.33
+C[C@H](N)Cn1ncc2ccc3occc3c21,CHEMBL261476,9.11
+C[C@H](N)Cn1ncc2ccc3sccc3c21,CHEMBL406851,8.17
+C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c21,CHEMBL264172,8.04
+C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc21,CHEMBL256420,7.96
+COc1ccc2cnn(C[C@H](C)N)c2c1Cl,CHEMBL404065,5.92
+C[C@H](N)Cn1ncc2ccc(F)cc21,CHEMBL256623,7.09
+C[C@H](N)Cn1ncc2cc(F)ccc21,CHEMBL257503,7.05
+c1cc2c3c(ccc2o1)CCNCC3,CHEMBL261489,7.34
+c1cc2ccc3c(c2o1)CCNCC3,CHEMBL261490,7.0
+CNc1ccc2c(c1Cl)CCNCC2,CHEMBL405717,7.05
+COc1ccc2c(c1Cl)CCNCC2,CHEMBL406957,7.21
+Clc1c(Br)ccc2c1CCNCC2,CHEMBL259480,8.0
+Clc1ccc2c(c1Cl)CCNCC2,CHEMBL262862,7.03
+Fc1ccc2c(c1Cl)CCNCC2,CHEMBL429689,6.89
+N#Cc1ccc2c(c1Cl)CCNCC2,CHEMBL406585,7.52
+O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2,CHEMBL405829,7.29
+CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1,CHEMBL407636,6.4
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,7.71
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,7.26
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,7.76
+CC/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL463250,5.77
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O,CHEMBL463249,5.7
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,6.71
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,7.63
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,7.66
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,6.97
+O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL478617,7.91
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476935,6.96
+COc1cccc2c1C(CN)c1ccccc1C2,CHEMBL497156,5.94
+COc1ccc2c(c1)C(CN)c1ccccc1C2,CHEMBL497157,5.86
+COc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL83081,8.12
+COc1cccc2c1Cc1ccccc1C2CN,CHEMBL454491,6.91
+C[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1,CHEMBL483751,6.49
+C[C@@H]1CN(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1,CHEMBL483750,5.68
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,7.22
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,8.67
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,7.28
+COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1,CHEMBL474473,5.53
+COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1,CHEMBL475965,8.2
+Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL477008,7.7
+N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O,CHEMBL255898,5.71
+Nc1nc(-c2ccc(F)cc2)c([C@@H]2CCN(CCCC(=O)c3ccc(F)cc3)C2)s1,CHEMBL514848,8.72
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL490613,7.08
+O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL489582,6.78
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL27559,6.94
+CCCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL516580,7.02
+CCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL515342,6.96
+CCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL478671,7.25
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CC)c1-3,CHEMBL515187,6.96
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(C)=O)c1-3,CHEMBL255229,7.14
+CCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL403550,7.04
+O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3,CHEMBL515624,7.6
+Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNCC2c1ccccc1,CHEMBL485207,6.43
+Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)CC3c2cccc(C)c2)c1,CHEMBL484538,6.92
+Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1,CHEMBL520821,7.37
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,5.9
+CCCCCCc1ccc(C(CN)c2ccccc2)cc1,CHEMBL501072,6.7
+NCC(c1ccccc1)c1ccc(Br)cc1,CHEMBL444761,6.59
+CCCCCCc1ccc(CCN)cc1,CHEMBL483388,7.11
+NCCc1ccc(CCCc2ccccc2)cc1,CHEMBL104088,7.22
+NCCc1ccc(Br)cc1,CHEMBL476516,5.75
+COc1cc(OC)c(OC)cc1CC(C)N,CHEMBL8389,5.92
+CCCCCCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL268890,8.6
+COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1,CHEMBL8334,8.0
+COc1ccc(OC)c(CC(C)N)c1,CHEMBL8642,5.28
+CCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1C2CN,CHEMBL484381,7.37
+NCC1c2ccccc2Cc2cc(O)ccc21,CHEMBL484380,6.97
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,8.15
+NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc21,CHEMBL83082,8.49
+NCC1c2ccccc2Cc2cc(Br)ccc21,CHEMBL85882,8.89
+COc1cc(C[C@@H](C)N)c(OC)cc1Br,CHEMBL69700,9.54
+COc1cc(C[C@H](C)N)c(OC)cc1Br,CHEMBL468880,8.72
+O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084502,5.32
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL445102,6.16
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,6.77
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,7.15
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,5.55
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,5.39
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL143022,7.15
+O=C1CC(CN2CCN(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL516944,5.88
+CCOC(=O)c1oc2c(c1C)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL459930,8.08
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2oc(-c3ccccc3)cc21,CHEMBL516809,8.16
+COC(=O)c1coc2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL461627,8.81
+CCOC(=O)c1oc2c(c1C)C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL494702,7.66
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2oc(-c3ccccc3)cc21,CHEMBL494701,7.76
+COC(=O)c1coc2c1C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL493069,7.59
+O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL523680,8.29
+O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL492689,8.6
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL159929,7.345
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL143027,8.105
+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)C12,CHEMBL473197,6.96
+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4ccccc4F)CC3)C(=O)C12,CHEMBL515729,6.04
+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473988,6.52
+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C(=O)CC(C)(CC4C)C3C2=O)CC1,CHEMBL473796,6.2
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)C12,CHEMBL473986,6.42
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4ccccc4F)CC3)C(=O)C12,CHEMBL473985,5.97
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL474373,6.43
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4ccccn4)CC3)C(=O)C12,CHEMBL474372,5.74
+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C(C)=CC(OC(C)=O)(CC4C)C3C2=O)CC1,CHEMBL474174,6.17
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473981,6.53
+COc1ccccc1N1CCN(CCCN2C(=O)C3C4C(=O)CC(C)(CC4C)C3C2=O)CC1,CHEMBL514472,6.37
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473781,6.24
+COc1ccccc1N1CCN(CCCN2C(=O)C3C4C(C)=CC(OC(C)=O)(CC4C)C3C2=O)CC1,CHEMBL515708,5.99
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(Cc4ccccc4)CC3)C(=O)C12,CHEMBL472983,5.68
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccc(F)cc4)CC3)C(=O)C12,CHEMBL515553,6.99
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL506654,6.74
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12,CHEMBL473370,6.24
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)C12,CHEMBL472775,5.47
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C(=O)CC(C)(CC4C)C3C2=O)CC1,CHEMBL513982,6.28
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(Cc4ccccc4)CC3)C(=O)C12,CHEMBL472774,5.01
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccc(F)cc4)CC3)C(=O)C12,CHEMBL514157,6.77
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473765,6.54
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12,CHEMBL473564,6.02
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)C12,CHEMBL473411,5.22
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C(C)=CC(OC(C)=O)(CC4C)C3C2=O)CC1,CHEMBL473006,6.13
+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C=CC(OC)(CC4)C3C2=O)CC1,CHEMBL472811,5.86
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C(=O)CC(OC(C)=O)(CC4(C)C)C3C2=O)CC1,CHEMBL472810,6.11
+CCOC12CCC(C(=O)C1)C1C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C12,CHEMBL473996,5.55
+CCn1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O,CHEMBL460480,6.64
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,5.6
+CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1,CHEMBL18786,7.735
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL476394,7.99
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,6.61
+NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl,CHEMBL451232,6.6
+NCC1CC1c1ccccc1Br,CHEMBL492916,6.18
+Cc1cccc([C@H]2C[C@@H]2CN)c1,CHEMBL445747,5.73
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,5.56
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,CHEMBL560177,6.2
+CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1,CHEMBL560741,9.85
+CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL559251,9.22
+CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1,CHEMBL540982,10.05
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21,CHEMBL575760,6.51
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,CHEMBL572708,7.63
+CSc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL572721,6.99
+CSc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL566508,8.34
+CNc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL583772,8.19
+CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL576756,8.62
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2nc(-c3ccccc3)ncc21,CHEMBL572942,6.2
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2nc(-c3ccccc3)ncc21,CHEMBL575788,6.9
+O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL566379,8.22
+O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1,CHEMBL569251,8.7
+O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL569513,6.89
+O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1,CHEMBL566356,5.74
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL569475,9.55
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL571915,9.59
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL569510,9.82
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL567877,9.18
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL585312,9.37
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL567888,9.39
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL571917,9.2
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL568313,9.21
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL568107,9.72
+CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL568841,9.37
+CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL566593,9.26
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCCN1CCOCC1,CHEMBL572134,8.4
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCSCC1,CHEMBL585924,9.24
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1,CHEMBL569509,9.66
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCNCC1,CHEMBL567245,7.75
+CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL568108,8.68
+CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL584924,9.02
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1,CHEMBL567246,9.38
+COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL567889,9.92
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1,CHEMBL568104,9.16
+COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1,CHEMBL585140,9.0
+CC1CCCCN1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL569484,9.08
+C[C@H]1CCC[C@@H](C)N1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL569495,7.79
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1,CHEMBL565525,8.85
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCCN1CCCCC1,CHEMBL579234,8.6
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1,CHEMBL565321,9.48
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1,CHEMBL566383,8.21
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCCCC1,CHEMBL584069,9.0
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCCC1,CHEMBL567672,9.08
+Cc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)cc1,CHEMBL585899,8.85
+COc1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL569508,8.48
+COc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)cc1,CHEMBL568314,9.27
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCCCC1,CHEMBL565322,9.6
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCCC1,CHEMBL568842,9.47
+CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL568843,7.84
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCCC1,CHEMBL567458,8.49
+Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL569485,8.68
+Cn1nccc1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCCCC1,CHEMBL585142,9.04
+CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C,CHEMBL569067,9.07
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1,CHEMBL569518,9.74
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1,CHEMBL566151,9.55
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1,CHEMBL583624,9.44
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(O)cc2)ccc1OCCN1CCCC1,CHEMBL568109,8.72
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1,CHEMBL569519,9.82
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1,CHEMBL576055,9.51
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1,CHEMBL585387,9.09
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,7.21
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,8.96
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,8.7
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,9.0
+CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1,CHEMBL252719,8.52
+CNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL593527,6.56
+CCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL595133,6.41
+CCCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL606150,6.44
+CC(C)NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL595457,6.96
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12,CHEMBL605309,7.72
+CN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL596148,6.58
+CCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL603430,6.65
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCC3)c12,CHEMBL606144,6.93
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12,CHEMBL595252,7.23
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCCC3)c12,CHEMBL593614,7.48
+CC1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL603417,7.05
+CC1CCCN(CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c23)C1,CHEMBL605089,7.34
+CCN(C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL593821,6.15
+CC(C)NCCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12,CHEMBL594519,6.21
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCCN3CCCCC3)c12,CHEMBL604685,6.07
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.08
+CNCCC1c2ccccc2Cc2ccccc21,CHEMBL595158,7.04
+CN(C)CCC1c2ccccc2Cc2ccccc21,CHEMBL593988,7.08
+CN(C)CC(c1ccccc1)c1ccccc1,CHEMBL10602,5.13
+CNCCC(c1ccccc1)c1ccccc1,CHEMBL593494,5.82
+CN(C)CCC(c1ccccc1)c1ccccc1,CHEMBL610739,5.79
+NCCCC(c1ccccc1)c1ccccc1,CHEMBL593734,5.59
+CNCCCC(c1ccccc1)c1ccccc1,CHEMBL594138,6.12
+CN(C)CCCC(c1ccccc1)c1ccccc1,CHEMBL608689,5.94
+Cc1ccc2c(c1)N1CCNCCC1NC2=O,CHEMBL590531,6.39
+Cc1cccc2c1C(=O)NC1CCNCCN21,CHEMBL590580,6.85
+O=C1NC2CCNCCN2c2cccc(Cl)c21,CHEMBL590483,6.77
+O=C1NC2CNCCN2c2cccc(Cl)c21,CHEMBL605402,6.48
+O=C1NC2CCNCCN2c2ccccc21,CHEMBL590816,6.57
+Cc1ccc2c(c1)N1CCNCC1NC2=O,CHEMBL590331,6.22
+Cc1ccc2c(c1)C(=O)NC1CNCCN21,CHEMBL590089,5.91
+O=C1NC2CNCCN2c2ccccc21,CHEMBL590077,5.7
+O=C1NC2CNCCN2c2ccc(Cl)cc21,CHEMBL590482,6.4
+O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21,CHEMBL590333,6.74
+O=C1NC2CNCCCN2c2cccc(Cl)c21,CHEMBL590721,4.87
+COc1ccc2c3c(ccc2c1)Cc1ccccc1C3CN,CHEMBL598753,7.68
+c1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL590241,6.4
+c1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL609328,6.65
+c1ccc(CCCCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL597528,6.44
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL591223,9.3
+COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1c(Br)cnn1C,CHEMBL602874,9.6
+COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C,CHEMBL603078,9.6
+COc1ccc(NC(=O)Nc2cccc(F)c2)cc1-c1c(Br)cnn1C,CHEMBL602064,9.5
+COc1ccc(NC(=O)Nc2ccccc2F)cc1-c1c(Br)cnn1C,CHEMBL601097,9.0
+COc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1-c1c(Br)cnn1C,CHEMBL599225,9.6
+COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL599226,9.4
+COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1-c1c(Br)cnn1C,CHEMBL606191,9.5
+COc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1-c1c(Br)cnn1C,CHEMBL599429,8.6
+COc1ccc(NC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)cc1,CHEMBL603609,9.3
+COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1-c1c(Br)cnn1C,CHEMBL596975,8.8
+COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1-c1c(Br)cnn1C,CHEMBL596976,9.5
+COc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1-c1c(Br)cnn1C,CHEMBL608425,9.3
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C(C)C,CHEMBL604586,9.3
+COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C(C)C,CHEMBL606622,9.6
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1O,CHEMBL605636,9.4
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)(F)F,CHEMBL596735,9.1
+CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL599193,9.6
+CC(C)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL599194,9.5
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1,CHEMBL598378,8.3
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1,CHEMBL597151,7.7
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ccccc1,CHEMBL597152,8.2
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C,CHEMBL610208,9.8
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL605001,8.8
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1-c1c(Br)cnn1C,CHEMBL606178,9.7
+COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1-c1c(Br)cnn1C,CHEMBL598171,9.5
+COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,CHEMBL598172,9.245
+COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Cl)cnn1C,CHEMBL598173,9.2
+COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(Cl)cnn1C,CHEMBL603061,9.6
+COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C,CHEMBL597983,8.9
+COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL599828,9.4
+COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C,CHEMBL596753,9.0
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1-c1c(Br)cnn1C,CHEMBL604082,9.3
+COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL602873,9.5
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.8
+O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,CHEMBL1085672,5.8
+c1ccc(N2CCN(CC3CCCCN3)C2)cc1,CHEMBL1084132,5.6
+O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3,CHEMBL1079460,9.09
+Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCC2,CHEMBL1080884,7.07
+COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1,CHEMBL1091105,7.89
+CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1,CHEMBL1091106,7.86
+O=S(=O)(c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL1082452,8.68
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1,CHEMBL1082773,8.88
+O=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1,CHEMBL1083415,8.84
+NC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1,CHEMBL1083416,9.19
+NC(=O)c1cccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)c1,CHEMBL1086507,9.7
+NC(=O)c1ccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)cc1,CHEMBL1082467,9.19
+CC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084721,10.15
+C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084976,9.66
+Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1,CHEMBL1084895,8.72
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCCC1,CHEMBL1085155,9.22
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCC(F)(F)C1,CHEMBL1083449,7.92
+Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1,CHEMBL1083750,8.07
+Cn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1,CHEMBL1083751,8.29
+Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1,CHEMBL1082822,7.74
+Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1,CHEMBL1086075,9.22
+Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1,CHEMBL1086316,8.62
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1,CHEMBL1086317,9.15
+Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1,CHEMBL1085615,8.39
+COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1,CHEMBL1084617,8.31
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCNC(=O)C1,CHEMBL1084618,6.54
+Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCNC(=O)C1,CHEMBL1084865,8.28
+CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2ccnn2C)CC1,CHEMBL1086555,8.37
+CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2ccnn2C)CC1,CHEMBL1085627,7.82
+CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1,CHEMBL1085628,8.66
+COc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(C)=O)CC3)c(-c3ccnn3C)c2)c1,CHEMBL1085854,8.35
+COc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(N)=O)CC3)c(-c3ccnn3C)c2)c1,CHEMBL1083725,8.29
+COc1cccc(C(=O)Nc2ccc(OCCN3CCN(S(C)(=O)=O)CC3)c(-c3ccnn3C)c2)c1,CHEMBL1082473,7.55
+COc1cccc(C(=O)Nc2ccc(OCCNCCO)c(-c3ccnn3C)c2)c1,CHEMBL1082474,8.74
+COc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1,CHEMBL1082795,8.66
+CCN1C(=N)N(C)/C(=C/c2c[nH]c3cc(F)ccc23)C1=O,CHEMBL1172812,6.76
+CCN1C(=N)N(C)/C(=C\c2c[nH]c3ccccc23)C1=O,CHEMBL1173408,6.18
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O,CHEMBL404232,6.22
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(F)ccc23)C1=O,CHEMBL1173820,6.63
+N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12,CHEMBL1215661,9.32
+COc1ccc(NC(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C,CHEMBL1215725,6.81
+O=C(Nc1[nH]ncc1Br)N1CCN(CCc2ccc(F)cc2)CC1,CHEMBL1215726,7.06
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)n1,CHEMBL1215727,8.44
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3)CC2)n1,CHEMBL1215728,7.17
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1,CHEMBL1214655,7.74
+Cn1cc(Br)c(C(=O)N2CCN(CCc3cccc(F)c3)CC2)n1,CHEMBL1214656,6.27
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)n1,CHEMBL1214657,7.47
+COc1ccc(CCN2CCN(C(=O)c3nn(C)cc3Br)CC2)cc1,CHEMBL1214658,6.39
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)n1,CHEMBL1214659,8.96
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214731,8.41
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3F)CC2)n1,CHEMBL1214732,7.15
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccccc3F)CC2)n1,CHEMBL1214733,6.57
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(C(F)(F)F)cc3)CC2)n1,CHEMBL1214806,6.06
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1,CHEMBL1214807,5.22
+Cn1cc(Br)c(C(=O)N2CCN(CC(O)c3ccc(F)cc3)CC2)n1,CHEMBL1214808,6.43
+CO/N=C(/CN1CCN(C(=O)c2nn(C)cc2Br)CC1)c1ccc(F)cc1,CHEMBL1214809,5.61
+Cn1ccc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214810,7.43
+Cc1c(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C,CHEMBL1214878,8.34
+Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br,CHEMBL1214879,8.34
+Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)[nH]n1,CHEMBL1214880,7.44
+Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C,CHEMBL1214881,8.07
+Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C(C)(C)C,CHEMBL1214882,8.03
+Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214946,8.43
+CCn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214947,8.59
+O=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1,CHEMBL1214948,7.73
+Cn1cc(C(F)(F)F)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214949,7.55
+Cn1cc(I)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214950,8.35
+Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1-c1ccccc1,CHEMBL1215019,7.96
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,8.1
+O=C(O)CCN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1,CHEMBL1222553,6.5
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222554,7.1
+CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O,CHEMBL1222624,7.4
+C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222625,6.7
+O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1,CHEMBL1222692,6.25
+Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222693,6.4
+Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2,CHEMBL1222694,6.9
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O,CHEMBL1222695,7.3
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O,CHEMBL1222762,7.2
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O,CHEMBL1222763,7.0
+COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222764,6.6
+Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258532,9.32
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258199,9.25
+Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258426,9.14
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258200,9.04
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1258084,8.97
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257147,8.95
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258535,8.92
+Cc1c(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257495,8.9
+c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258312,8.75
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258879,8.74
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(Cl)c21,CHEMBL1258882,8.69
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258313,8.68
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1257969,8.66
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258650,8.57
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258427,8.51
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,CHEMBL1257262,8.5
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257614,8.47
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258648,8.47
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258085,8.46
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258649,8.46
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258880,8.45
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257146,8.45
+Cc1c(OCCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257616,8.41
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257383,8.37
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,CHEMBL1257613,8.31
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258647,8.31
+c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258425,8.29
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258314,8.27
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257857,8.26
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257261,8.1
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257384,8.05
+Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257494,8.03
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1257144,8.02
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258762,8.0
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,CHEMBL1257382,8.0
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4COCC5)CC3)cc21,CHEMBL1257856,7.95
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCOC5)CC3)cc21,CHEMBL1257968,7.95
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258761,7.95
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258760,7.94
+Cc1c(OCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257736,7.9
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258534,7.89
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258881,7.86
+Cc1c(OCCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257737,7.85
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258533,7.83
+Cc1c(OCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257615,7.79
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257735,7.77
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257145,7.7
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257264,7.61
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21,CHEMBL1257734,7.6
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257385,7.6
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258087,7.53
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258428,7.49
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257263,7.46
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257859,7.43
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258763,7.41
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258086,7.28
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,CHEMBL1257492,7.27
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257971,7.26
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257858,7.25
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257970,7.18
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4COC5)CC3)cc21,CHEMBL1257493,6.9
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.75
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,9.95
+O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(F)ccc2Sc2ccccc23)CC1,CHEMBL1277491,6.9
+O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)CC1,CHEMBL1277401,6.4
+O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277312,7.5
+O=C(O)[C@@H]1CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277311,7.0
+O=C(O)C1(F)CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277217,6.4
+O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277216,6.5
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277126,7.6
+O=C(O)C1=CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277125,6.4
+O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277035,7.3
+O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277034,7.3
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276948,7.8
+O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,CHEMBL1276947,7.5
+O=C(O)[C@@H]1[C@H]2CN(C3CCC4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21,CHEMBL1276860,6.2
+O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276859,7.7
+CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278202,7.9
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278201,7.7
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1,CHEMBL1278113,6.5
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1,CHEMBL1278112,7.0
+O=C(O)C1(F)CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278019,7.1
+O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277584,7.2
+O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277585,6.2
+O=C(O)C1(F)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277678,7.3
+O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277679,7.0
+CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277769,7.4
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277770,7.1
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277854,7.1
+COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278020,6.4
+O=C(O)C1=CCCN(C2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278021,5.4
+O=C(O)CCNC1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278114,6.8
+O=C(O)CCNC1CC[C@@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278115,5.7
+CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278116,7.9
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,7.925
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,7.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.8
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,6.7
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,6.6
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.0
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.2
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.22
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684028,6.76
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684125,6.61
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684128,4.0
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765683,5.2
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765684,5.95
+O=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL1774062,9.1
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1,CHEMBL1774063,9.89
+O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c-2n1,CHEMBL1774064,8.8
+O=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1,CHEMBL1774065,8.54
+O=c1ccc2c[nH]c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc-2n1,CHEMBL1774066,8.49
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)nc2N1,CHEMBL1774067,7.8
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(F)c4Cl)CC3)nc2N1,CHEMBL1774068,7.51
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl,CHEMBL1774069,9.3
+Cc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774070,7.29
+Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C,CHEMBL1774071,9.46
+Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1,CHEMBL1774072,8.82
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4F)CC3)nc2N1,CHEMBL1774073,7.98
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4Cl)CC3)nc2N1,CHEMBL1774074,7.92
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4C(F)(F)F)CC3)nc2N1,CHEMBL1774075,8.85
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1,CHEMBL1774076,9.8
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1,CHEMBL1774077,10.05
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCO5)CC3)nc2N1,CHEMBL1774078,8.89
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1,CHEMBL1774079,9.72
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1,CHEMBL1774080,9.85
+O=C1CCc2ccc(OCCCCN3CCN(c4c(F)ccc5ccccc45)CC3)nc2N1,CHEMBL1774081,8.17
+O=C1CCc2ccc(OCCCCN3CCN(c4cc(F)cc5ccccc45)CC3)nc2N1,CHEMBL1774082,8.72
+O=C1CCc2ccc(OCCCCN3CCN(c4ccc(F)c5ccccc45)CC3)nc2N1,CHEMBL1774083,7.93
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c(F)cccc45)CC3)nc2N1,CHEMBL1774084,8.48
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)nc2N1,CHEMBL1774085,8.46
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1,CHEMBL1774086,9.55
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1,CHEMBL1774087,9.17
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL1774383,5.69
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL1774384,7.01
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1774385,5.32
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774532,5.52
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774533,6.56
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1774534,5.49
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1774535,6.67
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774537,5.32
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1774538,5.52
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL1774539,5.48
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774540,5.45
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774541,6.57
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL1774542,5.72
+CN(CCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1773087,5.59
+CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NCc2ccccc2)c1-3,CHEMBL1806870,5.7
+CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,CHEMBL623,8.24
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,5.9
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.43
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,8.0
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,8.16
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,8.25
+Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,CHEMBL357995,6.34
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.99
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,7.85
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.36
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,5.52
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,6.22
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.16
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,7.59
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.12
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.27
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.94
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,6.95
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.1
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,7.26
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,6.06
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.94
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,9.2
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,8.84
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.73
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,9.13
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.93
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,6.04
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.98
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.43
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.96
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,8.04
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,6.76
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,6.13
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,8.96
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,7.16
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,7.19
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,8.37
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.5
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.64
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,8.02
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.86
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.99
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.02
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.72
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.6
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,7.96
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.12
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.9
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.44
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,6.33
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,8.17
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.72
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,8.41
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,6.73
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,6.55
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,9.26
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,6.99
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.82
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.92
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,6.38
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,8.7
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,7.74
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,5.98
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.95
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.06
+O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,CHEMBL98350,6.1
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.74
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,8.6
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,9.14
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,8.25
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.9
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,CHEMBL1630578,6.24
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.9
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.86
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.95
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,6.27
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.11
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.63
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,7.14
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.38
+CCCCNc1ccc(C(=O)OCCN(C)C)cc1,CHEMBL698,6.01
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.52
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,7.085
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,7.085
+Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940405,6.95
+Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940406,6.92
+O=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1940407,6.65
+Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940408,7.09
+Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940409,7.28
+Fc1ccc(SCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1,CHEMBL1940410,5.95
+Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940411,7.22
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940412,7.24
+Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1,CHEMBL1940413,7.7
+c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940414,7.34
+Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940415,7.39
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,7.57
+Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940417,7.64
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,7.3
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,7.59
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,7.74
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1,CHEMBL1946122,6.63
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,6.5
+O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1,CHEMBL1946124,6.39
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,6.79
+Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946126,6.25
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,6.29
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,6.8
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,6.16
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,6.0
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946258,5.98
+COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949930,5.43
+O=C(c1cnn2c1CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957809,7.74
+O=C(c1cnn2cc(Cl)ccc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957804,8.23
+O=C(c1cc2ccccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957800,8.24
+O=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957806,8.25
+O=C(c1cc(Br)cn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957820,8.3
+O=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957810,8.37
+O=C(c1cnn2cccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957807,8.42
+Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957821,8.44
+Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957815,8.46
+N#Cc1cn2cccc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)c2n1,CHEMBL1957819,8.55
+Nc1cccn2cc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)nc12,CHEMBL1957813,8.57
+O=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957808,8.59
+O=C(c1nc2ccccn2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957811,8.72
+O=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957803,8.74
+O=C(c1cccn2cc(Br)nc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957817,8.77
+O=C(c1cnc2ccccn12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957814,8.77
+O=C(c1cccn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957816,8.8
+O=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957818,8.82
+Nc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12,CHEMBL1957812,8.85
+O=C(c1nn2ccccc2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957801,9.1
+O=C(c1nn2ccccc2c1Cl)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957802,9.22
+O=C(c1cccc2ccnn12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957805,9.4
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2,CHEMBL2022269,6.88
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022271,5.96
+Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022272,6.74
+Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2,CHEMBL2022273,7.04
+CN1CCC(NC2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1,CHEMBL2022276,6.45
+Clc1ccc2c(c1)N=C(NC1CCN(Cc3ccccc3)CC1)c1cccnc1O2,CHEMBL2022277,6.55
+Clc1ccc2c(c1)N=C(NCCN1CCCCC1)c1cccnc1O2,CHEMBL2022279,6.0
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,8.62
+CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1,CHEMBL1439099,6.535
+CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1,CHEMBL2022154,6.685
+CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1,CHEMBL2022155,5.89
+CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1,CHEMBL2022156,5.66
+CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@H]1CCCO1,CHEMBL2022157,6.83
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,5.57
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,5.87
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,7.44
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,6.88
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,5.37
+c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1,CHEMBL2037521,6.65
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,5.42
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037524,5.7
+O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037518,6.54
+O=C(CCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037519,5.66
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,5.81
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,5.43
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,6.28
+O=C(CCCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037529,5.16
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,6.69
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,8.47
+O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1802360,8.5
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,5.71
+Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165137,9.22
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165126,9.22
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,7.27
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,6.74
+CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1,CHEMBL2179670,5.5
+COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1,CHEMBL2179671,6.7
+Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1,CHEMBL2179672,7.5
+Cn1cc2c(OCC3CCN(CCc4ccccc4C(=O)O)CC3)nc3ccccc3c2c1,CHEMBL2179673,6.1
+Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1,CHEMBL2179675,6.6
+CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1,CHEMBL2179677,7.0
+Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1,CHEMBL2179678,7.1
+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc21,CHEMBL3216126,7.1
+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21,CHEMBL2179705,6.0
+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc21,CHEMBL2179704,8.0
+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21,CHEMBL2179697,7.0
+CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21,CHEMBL2177130,7.5
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.62
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,6.27
+CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1,CHEMBL2181187,5.22
+CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1,CHEMBL2181168,5.74
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.75
+CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1,CHEMBL2181169,5.99
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.09
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,6.74
+c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,CHEMBL2165447,5.19
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,CHEMBL2203551,5.36
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,4.67
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,6.02
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.65
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.93
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,5.5
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.38
+COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1,CHEMBL2205360,5.56
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,5.59
+CCOC(=O)Cn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237141,6.0
+CCCCn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237140,6.21
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237139,6.71
+COc1ccccc1N1CCN(CCCN2C(=O)CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237138,5.3
+Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237137,6.45
+COc1ccccc1N1CCN(CCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL91588,5.41
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237425,5.97
+COc1ccccc1N1CCN(CCCN2C(=O)CCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237163,5.37
+Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237162,6.74
+COc1ccccc1N1CCN(CCCN2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2237161,6.25
+Cn1c(=O)c2c(nc3n2CCCCN3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237160,6.48
+COc1ccccc1N1CCN(CCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL328292,6.31
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL2237159,6.9
+Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237158,4.41
+Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237157,4.55
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3ncccn3)CC2)n(C)c1=O,CHEMBL2237156,5.09
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL91021,5.33
+Cn1c(=O)c2c(nc3n2CCCN3CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL86719,6.61
+Cn1c(=O)c2c(nc3n2CCCCN3CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL2237155,6.59
+Cn1c(=O)c2c(nc3n2CCCN3CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL2237154,6.37
+Cn1cnc2c1c(=O)n(CCCN1CCN(C(c3ccccc3)c3ccccc3)CC1)c(=O)n2C,CHEMBL2237153,7.23
+Cn1c(=O)c2c(nc(NCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237152,6.51
+Cn1c(=O)c2c(nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237151,4.65
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,7.82
+O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=O,CHEMBL2298807,5.81
+O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2298799,8.29
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,7.05
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,7.46
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccnc12,CHEMBL2312638,7.54
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,7.66
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312937,7.64
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312936,7.38
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,7.47
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,7.33
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312642,7.19
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312641,6.94
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1,CHEMBL2326175,7.05
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCC4,CHEMBL2334882,6.32
+COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCCO4,CHEMBL2334881,6.44
+COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1,CHEMBL2337102,5.89
+c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2,CHEMBL2337103,6.79
+O=C1N[C@H]2CNC[C@@H]2c2ccccc21,CHEMBL2337495,5.1
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O,CHEMBL2337502,5.19
+CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337498,5.35
+Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337105,5.48
+Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337104,5.5
+O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337489,5.73
+O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337491,5.75
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337497,5.83
+CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337504,6.15
+Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337503,6.27
+CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337499,6.44
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21,CHEMBL2337488,6.48
+O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21,CHEMBL2337493,6.59
+Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337496,6.66
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337106,6.8
+O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337490,7.215
+CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21,CHEMBL2337492,7.1
+O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21,CHEMBL2337500,7.14
+Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337494,7.25
+Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337501,7.89
+c1ccc(COc2noc3c2CCNCC3)cc1,CHEMBL2331794,5.48
+O=c1c2c(on1Cc1ccccc1)CCNCC2,CHEMBL2331807,5.06
+Clc1cncc(N2CCNCC2)n1,CHEMBL269521,4.68
+Clc1cccc(COc2cncc(N3CCNCC3)n2)c1,CHEMBL494947,7.09
+CCOc1noc2c1CCNCC2,CHEMBL2331793,4.0
+CCCn1oc2c(c1=O)CCNCC2,CHEMBL2331806,4.0
+CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1,CHEMBL1201756,9.04
+COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL51767,6.76
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.41
+C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397887,7.09
+O=C1c2ccccc2C[C@@H]2CNCCN12,CHEMBL2397881,6.49
+O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3,CHEMBL2397914,6.47
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+COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397912,6.84
+Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397910,6.49
+COc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397907,6.29
+CCc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397905,5.85
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+COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397878,7.07
+O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12,CHEMBL2397877,7.07
+O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12,CHEMBL2397915,6.97
+CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397897,6.95
+Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397896,6.49
+COc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397894,5.78
+O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12,CHEMBL2397893,6.92
+O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12,CHEMBL2397892,7.08
+O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12,CHEMBL2397891,7.14
+CCc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397890,7.62
+Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397889,6.96
+CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397911,6.34
+CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397909,5.84
+CCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397908,5.99
+N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397903,5.22
+COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397902,5.77
+O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12,CHEMBL2397901,6.4
+O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12,CHEMBL2397900,6.1
+CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397899,6.56
+CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397898,6.64
+Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397880,6.59
+N#Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397879,5.4
+N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397895,5.57
+C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12,CHEMBL2397888,5.52
+C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397886,5.97
+C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1,CHEMBL2397885,5.76
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+C[C@@]12CNCCN1C(=O)c1ccccc1C2,CHEMBL2397883,5.16
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.62
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,5.44
+O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CHEMBL394755,5.8
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,6.74
+O=C(C1CCCCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL2402850,5.77
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,CHEMBL74656,8.2
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,5.3
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.51
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,5.76
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,5.88
+Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093187,5.06
+NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL3092753,6.0
+CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,CHEMBL294951,8.12
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.59
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.13
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.62
+Nc1ccc2c(c1)C(=O)C(CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2,CHEMBL3104647,8.3
+Nc1ccc2c(c1)C(O)C(CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2,CHEMBL3104523,8.35
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2cc(-c3ccccc3)ccc21,CHEMBL3104517,7.8
+Nc1ccc2c(c1)C(=O)C(CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2,CHEMBL3104515,7.63
+COc1ccccc1N1CCN(CCC2CCc3ccc(N)cc3C2=O)CC1,CHEMBL3104648,7.37
+COc1ccccc1N1CCN(CCC2CCc3ccc([N+](=O)[O-])cc3C2=O)CC1,CHEMBL3104646,6.1
+O=C1c2cc([N+](=O)[O-])ccc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL3104524,7.72
+Nc1ccc2c(c1)C(O)C(CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2,CHEMBL3104522,8.18
+COc1ccccc1N1CCN(CCC2CCc3ccc(N)cc3C2O)CC1,CHEMBL3104521,6.8
+COc1ccccc1N1CCN(CCC2CCc3ccc([N+](=O)[O-])cc3C2O)CC1,CHEMBL3104520,6.29
+O=[N+]([O-])c1ccc2c(c1)C(O)C(CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2,CHEMBL3104519,7.96
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2cc(-c3ccccc3)ccc21,CHEMBL3104518,6.2
+CC(=O)c1ccc2c(c1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL3102875,7.2
+CC(=O)c1ccc2c(c1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL3104516,7.5
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,8.7
+Cc1noc2c1C(=O)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)C2,CHEMBL3220212,8.0
+Cc1nc2c(o1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL3220213,6.9
+Cc1nc2c(o1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL3220214,7.7
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,8.3
+Cc1nc2c(o1)CC(CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220216,7.1
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220217,6.55
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220218,7.7
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,8.1
+O=C1CC(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220220,7.4
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,9.27
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233143,9.03
+CCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233144,8.68
+CC(C)N1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233145,8.12
+CCCCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233146,7.85
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3Cc1ccccc1)c1ccc(F)cc1,CHEMBL3233147,8.33
+CN1CCN2c3c(cc(Br)cc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233148,8.4
+COc1cc2c3c(c1)N(C)CCN3[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)C[C@@H]21,CHEMBL3233149,8.46
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccccc3)CC[C@@H]12,CHEMBL3233406,8.24
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccncc3)CC[C@@H]12,CHEMBL3233407,8.33
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCOc3ccc(F)cc3)CC[C@@H]12,CHEMBL3233409,8.62
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCNC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233410,6.17
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12,CHEMBL3233411,8.48
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233412,8.6
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3[nH]nc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233413,7.74
+CN1CCN2c3c(cccc31)[C@@H]1CN(CC3CC(c4ccc(F)cc4)=NO3)CC[C@@H]12,CHEMBL3233414,7.3
+Cc1ccn2c(=O)c(CCN3CC[C@H]4[C@@H](C3)c3cccc5c3N4CCN5C)c(C)nc2c1,CHEMBL3233416,6.15
+CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233419,8.34
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233421,6.49
+O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233422,8.26
+CN1CCN2c3c(cccc31)[C@@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233423,8.77
+CN1CCN2c3c(cccc31)[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233424,7.77
+CC1CN(C)c2cccc3c2N1[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]31,CHEMBL3233425,8.24
+CN1CC(C)(C)N2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233426,8.28
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,9.0
+O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233428,8.11
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1,CHEMBL3233429,8.54
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3)c1ccc(F)cc1,CHEMBL3233430,8.96
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3)c1ccc(F)cc1,CHEMBL3233431,8.89
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,9.05
+O=C(CCCN1CC[C@H]2c3cccc4c3N(CCO4)[C@H]2CC1)c1ccc(F)cc1,CHEMBL3233433,7.85
+O=C1CC(c2ccccc2)CN1c1cnc2c(N3CCNCC3)cccc2c1,CHEMBL3260795,5.51
+CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1,CHEMBL3260311,6.91
+CN1CCN(c2cccc3cc(S(=O)(=O)c4cccc(F)c4)cnc23)CC1,CHEMBL3260313,9.41
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,7.38
+Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1,CHEMBL3260335,6.65
+FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1,CHEMBL3260336,8.3
+C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1,CHEMBL3260337,6.22
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,9.26
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL2028019,7.66
+CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287395,7.66
+OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287396,7.8
+O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287397,6.62
+O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287402,7.25
+O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287403,8.255
+O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287404,8.1
+N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287405,6.31
+N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287406,7.09
+Cc1cccc(S(=O)(=O)NCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289708,8.06
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289709,8.89
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289944,9.4
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289945,7.6
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289946,7.92
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289947,7.85
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3286432,7.82
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289948,8.02
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289949,8.66
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289950,8.04
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289951,8.26
+O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289952,9.05
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289953,8.0
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289954,8.82
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289955,7.89
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289956,8.09
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289957,7.96
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289958,8.22
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289959,8.02
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289960,8.19
+Cc1c(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289961,7.85
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289962,8.19
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289963,7.92
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289964,8.09
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289965,8.08
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289966,8.12
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289967,5.38
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289968,7.59
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289969,6.54
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289970,8.0
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289971,7.01
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289972,7.77
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289973,6.02
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289974,6.68
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289975,6.01
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289976,5.57
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289977,6.96
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289978,9.15
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289980,8.11
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289981,6.39
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289982,6.72
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289983,7.2
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289984,7.96
+Cc1c(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289985,5.92
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289986,8.13
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289987,7.89
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289988,5.48
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289989,5.21
+Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289990,8.46
+Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289991,8.43
+Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289992,8.68
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289993,8.66
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289994,8.31
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289995,8.82
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289996,8.05
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289997,8.42
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289998,8.44
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3289999,8.29
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3290000,8.02
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290001,9.15
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290002,8.77
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290003,9.22
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290004,8.74
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290005,8.55
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290006,8.77
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290007,8.51
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290008,9.22
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290009,8.8
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290010,8.24
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290011,9.05
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290013,8.59
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290014,9.1
+Cc1c(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290015,8.64
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290016,9.15
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(Cl)cc12,CHEMBL3290017,9.0
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290018,8.19
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290019,8.02
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290020,8.04
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290021,8.07
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1,CHEMBL3358494,6.41
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C,CHEMBL3358493,8.44
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL3358492,7.4
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)n1,CHEMBL3358107,7.57
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,CHEMBL3358105,7.74
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1,CHEMBL3358104,8.4
+COc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1,CHEMBL3358103,6.79
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1,CHEMBL3358102,6.51
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,7.82
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2cn1,CHEMBL3358101,7.4
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358100,7.82
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358099,7.48
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358098,6.09
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)n1,CHEMBL3358495,7.55
+O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358496,5.91
+O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1cc2ccccc2cn1,CHEMBL3358497,6.0
+O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1,CHEMBL3358498,7.96
+O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358499,8.1
+O=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358500,7.77
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL3358501,7.01
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358502,7.77
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358503,7.15
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2n1,CHEMBL3358504,7.16
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccccc2N1,CHEMBL3358505,7.3
+Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358506,7.11
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1,CHEMBL3358507,7.66
+Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358508,8.29
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1,CHEMBL3358509,7.18
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358510,7.08
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358511,6.96
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1,CHEMBL3358512,8.52
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL3358514,7.0
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)c1,CHEMBL3358515,6.75
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358516,6.62
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358517,6.85
+COc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)n3)CC2)c1,CHEMBL3358518,6.62
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cccnc1,CHEMBL3358519,6.67
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,6.5
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.63
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,7.05
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.29
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.94
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,6.32
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,7.11
+CN1CCc2ccc(O)cc2C(c2ccccc2)C1,CHEMBL1193274,6.88
+CN1CCc2cc(NCc3ccccc3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325904,8.34
+CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325905,7.99
+Cc1cccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1,CHEMBL3325906,8.0
+Cc1ccccc1CNc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2,CHEMBL3325907,6.72
+Cc1ccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)cc1,CHEMBL3325908,6.06
+Cc1cccc(-c2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1,CHEMBL3325913,6.79
+CN1CCc2cc(-c3ccc(O)cc3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325916,6.08
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,CHEMBL1580288,6.515
+O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CHEMBL2011865,4.77
+O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(Br)s1,CHEMBL3403330,4.73
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1,CHEMBL1319488,4.53
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1,CHEMBL1576791,4.47
+Cc1ccc(S(=O)(=O)c2nc(N3CCc4ccccc4C3)sc2Cl)cc1,CHEMBL3403331,5.28
+O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1,CHEMBL3403332,4.47
+O=S(=O)(c1ccc(F)cc1)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12,CHEMBL3403333,4.58
+Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12,CHEMBL3403334,5.17
+O=S(=O)(c1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12,CHEMBL3403335,4.5
+Brc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)C3CCC1,CHEMBL3403336,4.6
+Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccc(Cl)cc32)cc1,CHEMBL3403337,4.49
+O=S(=O)(Nc1ccccc1-c1nccc2ccccc12)c1ccc(Cl)cc1,CHEMBL3403338,4.74
+O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2F)c2ccccc21,CHEMBL1323386,5.41
+O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1,CHEMBL3403339,4.57
+COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1,CHEMBL3403340,4.54
+Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1,CHEMBL3403341,4.99
+NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1,CHEMBL3403342,4.83
+Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2SCc2ccc(Cl)cc2)cc1,CHEMBL3403343,4.51
+COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N,CHEMBL3403344,5.28
+Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12,CHEMBL3403345,4.82
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1,CHEMBL3402679,6.33
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1,CHEMBL127307,7.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1,CHEMBL3402678,6.49
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1,CHEMBL3402677,6.96
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1,CHEMBL3402676,6.89
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1,CHEMBL3402675,7.4
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1,CHEMBL3402674,6.59
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1,CHEMBL3402673,7.7
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402672,5.89
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402671,7.1
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402670,6.3
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402669,7.13
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1,CHEMBL3402668,7.15
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1,CHEMBL3402667,6.85
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1,CHEMBL3402666,7.3
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1,CHEMBL3402665,6.6
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1,CHEMBL3402664,7.22
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1,CHEMBL3402663,6.66
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402662,6.68
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402661,5.7
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1,CHEMBL3402660,5.09
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1,CHEMBL3402659,6.12
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1,CHEMBL3402658,5.96
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1,CHEMBL3402657,7.1
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1,CHEMBL3402656,7.7
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1,CHEMBL3402655,6.43
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1,CHEMBL3402680,7.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402681,6.19
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402682,7.36
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1,CHEMBL3402683,5.55
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1,CHEMBL3402684,5.62
+Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21,CHEMBL3402685,6.15
+Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21,CHEMBL3402686,6.0
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235744,5.7
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409035,6.78
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409037,5.67
+O=C([C@@H]1CCCN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409039,5.77
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,7.54
+Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1,CHEMBL3407810,6.3
+CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21,CHEMBL240773,4.6
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL2397389,4.55
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL2396663,5.05
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577342,5.1
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577343,4.85
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,CHEMBL3577344,5.44
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577345,6.0
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577346,6.15
+COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581256,6.38
+COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581255,6.67
+C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581254,6.42
+COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581253,6.24
+COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581252,6.24
+CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581251,6.35
+CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581250,6.61
+CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581249,6.42
+COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581248,6.12
+COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581247,5.94
+CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581246,6.24
+CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3580670,6.62
+CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581245,6.57
+CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581244,6.09
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL228082,6.02
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,CHEMBL3590077,6.27
+CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590080,7.05
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590081,6.26
+CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590084,6.68
+CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589577,6.29
+COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br,CHEMBL3589598,8.87
+COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1,CHEMBL3589597,9.36
+COc1cc(CCNCc2cccc(OC)c2O)c(OC)cc1Br,CHEMBL3589596,9.7
+COc1cc(CCNCc2cccc(OC)c2F)c(OC)cc1Br,CHEMBL3589595,8.48
+COc1cc(CCNCc2c(OC)cccc2OC)c(OC)cc1Br,CHEMBL3589594,6.5
+COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1,CHEMBL3589593,7.51
+COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1,CHEMBL3589592,7.7
+COc1cc(CCNCc2cccc(OC)c2OC)c(OC)cc1Br,CHEMBL3589591,8.51
+COc1cc(CCNCc2ccncc2)c(OC)cc1Br,CHEMBL3589590,6.85
+COc1cc(CCNCc2cccnc2)c(OC)cc1Br,CHEMBL3589589,7.08
+COc1cc(CCNCc2ccccn2)c(OC)cc1Br,CHEMBL3589588,7.41
+COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br,CHEMBL3589587,7.1
+COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br,CHEMBL3589586,6.91
+COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br,CHEMBL3589585,7.89
+COc1cc(CCNCc2cccc3c[nH]nc23)c(OC)cc1Br,CHEMBL3589584,7.92
+COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br,CHEMBL3589583,8.11
+COc1cc(CCNCc2cccc3c2OCC3)c(OC)cc1Br,CHEMBL3589582,9.7
+COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br,CHEMBL3589581,7.96
+COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br,CHEMBL3589580,8.77
+COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br,CHEMBL3589579,9.22
+COc1cc(CCNCc2cccc3c2OCO3)c(OC)cc1Br,CHEMBL3589578,9.22
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627305,7.32
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2[nH]1,CHEMBL3597643,7.26
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597649,6.46
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597635,9.48
+O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597636,8.62
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597637,8.77
+Fc1ccc(Nc2nc(N3CCOCC3)nc3ccccc23)cc1,CHEMBL3609174,6.63
+Fc1ccccc1Nc1nc(N2CCOCC2)nc2ccccc12,CHEMBL3609175,6.73
+CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,CHEMBL1255588,8.53
+CC(C)c1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1,CHEMBL3609173,7.38
+Ic1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1,CHEMBL3609172,6.3
+Clc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1,CHEMBL3609171,7.85
+Fc1ccccc1Nc1nc(N2CCNCC2)nc2ccccc12,CHEMBL3609170,7.15
+COc1ccccc1Nc1nc(N2CCNCC2)nc2ccccc12,CHEMBL3609169,7.34
+OCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1,CHEMBL3609168,6.28
+OCCN1CCN(c2nc(Nc3cccc(O)c3)c3ccccc3n2)CC1,CHEMBL3609167,7.08
+Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(C)c1,CHEMBL3609166,6.57
+OCCN1CCN(c2nc(Nc3ccccc3F)c3ccccc3n2)CC1,CHEMBL3609165,7.18
+CC(C)c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)cc1,CHEMBL3609164,6.83
+COc1ccccc1Nc1nc(N2CCN(CCO)CC2)nc2ccccc12,CHEMBL3609163,6.84
+COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)cc1,CHEMBL3609162,5.87
+OCCN1CCN(c2nc(Nc3ccc(I)cc3)c3ccccc3n2)CC1,CHEMBL3609161,6.42
+OCCN1CCN(c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)CC1,CHEMBL3609160,7.04
+OCCN1CCN(c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1,CHEMBL3609159,6.96
+OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3ccccc3n2)CC1,CHEMBL3609158,6.92
+COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(OC)c1,CHEMBL3609157,6.23
+COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL357684,6.25
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL140968,6.66
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL139600,6.89
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,CHEMBL342060,6.51
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,CHEMBL344677,6.11
+Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL373873,8.13
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221843,6.21
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221587,6.85
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1,CHEMBL218607,6.96
+COc1ccc(Cn2nnc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL437525,6.85
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL220754,7.03
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccc(OC)cc1,CHEMBL218351,7.54
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL385289,6.82
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL217981,7.39
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL386986,7.36
+CCCc1c(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL221129,7.21
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL424294,6.92
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL59725,7.77
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,5.96
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL139926,8.14
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL346692,7.51
+COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1,CHEMBL3613873,7.08
+O=Cc1cnn2ccc(-n3cc(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613874,8.16
+O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613875,7.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL142020,6.48
+COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1,CHEMBL141845,6.24
+CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL425285,8.6
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1,CHEMBL221866,8.49
+O=Cc1cnn2ccc(-n3cc(CCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,CHEMBL3613876,7.3
+COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1,CHEMBL3613877,7.05
+Clc1cccc(N2CCN(CCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613878,8.15
+Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613879,8.28
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,CHEMBL3613880,9.19
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1COc2ccccc2C1,CHEMBL3664872,7.66
+CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)C1,CHEMBL3664843,7.56
+CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CC1,CHEMBL3664875,7.46
+O=S(=O)(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(F)cc1,CHEMBL3664883,7.18
+CCOCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664856,7.26
+C[C@@H](O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664876,7.97
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(Cl)cc1,CHEMBL3664849,7.66
+Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)c1,CHEMBL3664884,7.19
+O=C(CF)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664888,7.4
+CN1CCC(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CC1,CHEMBL3664873,8.23
+O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664842,7.66
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C(O)C(F)(F)F,CHEMBL3664825,7.85
+COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664826,7.84
+O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664817,7.93
+O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664871,7.43
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCCO1,CHEMBL3664858,7.84
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664887,7.34
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1,CHEMBL3664841,7.73
+O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664818,7.77
+O=C(CC1(O)CCCCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664834,7.8
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(F)cc1,CHEMBL3664850,7.88
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H](O)C(F)(F)F,CHEMBL3664851,7.68
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C(F)(F)F,CHEMBL3664885,7.43
+O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664877,7.67
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccnc2ccccc12,CHEMBL3664869,7.64
+O=C(C[C@@H]1CCCOC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664855,7.7
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(O)CCCCC1,CHEMBL3664878,8.41
+O=C(C[C@H]1CCCOC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3639637,7.7
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H](O)C(F)(F)F,CHEMBL3664852,7.71
+O=C(CC1(O)CCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664857,7.57
+COC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664840,7.47
+O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664829,7.55
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCS(=O)(=O)C1,CHEMBL3664864,8.34
+COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664815,7.42
+CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664846,7.54
+O=C(CC1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664835,7.81
+O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664819,7.68
+CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664847,8.02
+O=C(C[C@@H]1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664853,7.55
+CC1(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)COC1,CHEMBL3664874,7.66
+O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664865,7.53
+N#CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664833,7.65
+CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664881,7.5
+O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664889,6.65
+COC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664831,7.66
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC1(F)F,CHEMBL3664839,7.57
+CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664837,7.54
+O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(C(F)(F)F)CC1,CHEMBL3664862,7.72
+CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664845,8.32
+O=C(CC(F)(F)F)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1,CHEMBL3664823,7.74
+N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)cc1,CHEMBL3664827,8.04
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+C[C@]1(O)CC[C@@H](C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1,CHEMBL3642732,8.21
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,CHEMBL3642801,7.78
+COCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1,CHEMBL3642686,8.36
+COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642712,7.62
+O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642728,7.86
+CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642725,7.66
+COCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642715,7.96
+COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1,CHEMBL3642783,7.92
+Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1,CHEMBL3642792,7.81
+CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642726,7.75
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1,CHEMBL3642799,8.01
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642755,7.54
+O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642745,7.84
+O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1,CHEMBL3642701,8.52
+CCCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642771,7.61
+N#CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642736,7.8
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1Cl,CHEMBL3642808,7.66
+CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1,CHEMBL3642749,7.79
+CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5occc45)CC3)CC2)C1,CHEMBL3642680,8.19
+Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1,CHEMBL3642761,7.82
+N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1,CHEMBL3642793,7.89
+COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736516,6.65
+COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735643,5.65
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1,CHEMBL3734894,5.82
+COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735261,6.84
+COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735434,6.04
+COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1,CHEMBL3736207,6.57
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735911,6.7
+COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2,CHEMBL3736149,6.85
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.78
+COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736252,5.83
+COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC,CHEMBL3735862,5.45
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1,CHEMBL3747052,6.58
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747114,6.64
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747071,6.42
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3747459,6.92
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746806,5.9
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1,CHEMBL3745975,5.71
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3746079,5.97
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3746771,6.25
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746713,7.38
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3745815,7.16
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3747003,7.24
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747148,6.37
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747744,6.38
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3745882,6.42
+CC(C)(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3746083,5.88
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3746493,5.83
+O=S(=O)(c1ccc(F)cc1)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3745853,7.15
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3747240,7.52
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,8.74
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(F)c1,CHEMBL3758591,6.52
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(F)c2)C3)c1,CHEMBL3759617,5.89
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,CHEMBL3759205,5.89
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1,CHEMBL3759819,5.94
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3740054,6.75
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,5.9
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,6.35
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,6.59
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,6.11
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,6.76
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,5.81
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,6.68
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,5.88
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.8
+COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814737,6.73
+COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814708,6.44
+COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814485,6.66
+COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813789,6.54
+COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815000,6.73
+COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814821,6.9
+COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815066,6.99
+COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814559,6.77
+COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815112,7.19
+COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813796,7.37
+COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813726,7.27
+COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813855,7.12
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,5.875
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,6.01
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,5.47
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL3818799,6.28
+O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,CHEMBL3819403,5.97
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,6.775
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3818940,5.22
+O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL297302,8.92
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,6.03
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,6.28
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,6.14
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.49
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,6.465
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,5.75
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,7.85
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,8.41
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,7.64
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,6.39
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,5.595
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,6.105
diff --git a/chembl_200/CHEMBL225.csv b/chembl_200/CHEMBL225.csv
new file mode 100644
index 0000000000000000000000000000000000000000..551e25637fdc3aaceb480d95995cd165ad1e5f3a
--- /dev/null
+++ b/chembl_200/CHEMBL225.csv
@@ -0,0 +1,1848 @@
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.38
+NCCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL27173,8.2
+CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL412876,7.8
+COc1ccc2[nH]cc(C3=CCNCC3)c2c1,CHEMBL18785,6.4
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN,CHEMBL542436,7.23
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL543390,6.7
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,6.07
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,6.0
+CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1,CHEMBL18786,6.7
+CC(C)NCC(O)COc1cccc2[nH]ccc12,CHEMBL500,4.27
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,8.808
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,7.18
+CN(C)CCc1c[nH]c2ccc(O)cc12,CHEMBL416526,7.15
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,9.38
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,7.35
+NCCc1c[nH]c2cccc(O)c12,CHEMBL18855,7.4
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,6.7
+Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,CHEMBL18331,7.22
+NCCc1c[nH]c2ccccc12,CHEMBL6640,7.3
+NCCc1c[nH]c2cc(O)ccc12,CHEMBL19264,5.26
+CNCCc1c[nH]c2ccc(O)cc12,CHEMBL277362,6.55
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,4.985
+O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccccc1,CHEMBL354210,5.9
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,5.64
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,8.0
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,8.54
+COc1ccc2[nH]c3c(c2c1)CCN=C3C,CHEMBL338115,6.03
+CC1=NCCc2c1[nH]c1ccccc21,CHEMBL295234,5.73
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.03
+O=C1Nc2ccc(Cl)c(Cl)c2N2CCNCC12,CHEMBL59620,5.885
+CN(C)CCc1c[nH]c2ccsc12,CHEMBL13147,7.19
+CN(C)CCc1c[nH]c2sccc12,CHEMBL13086,6.99
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,7.48
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL73979,6.84
+OC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL420010,6.3
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL77855,7.54
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL74756,7.45
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL78218,6.31
+O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL306478,7.78
+NCCc1cn2c3c(cccc13)CCC2,CHEMBL171774,7.39
+CC1CCc2cc(F)cc3c(CCN)cn1c23,CHEMBL355474,7.74
+CNCCc1cn2c3c(cc(F)cc13)CCC2C,CHEMBL170319,7.48
+NCCc1cn2c3c(cc(Cl)cc13)SCC2,CHEMBL172159,7.33
+Cc1c(CCN)c2cc(F)cc3c2n1C(C)CC3,CHEMBL353998,6.71
+Cc1c(CCN)c2cccc3c2n1CCC3,CHEMBL170854,6.65
+CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1,CHEMBL103479,5.72
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,6.51
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.08
+C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL135076,7.7
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,8.47
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,8.26
+CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3,CHEMBL131736,8.57
+COc1cc(C[C@@H](C)N)c(OC)cc1I,CHEMBL134519,8.4
+COc1ccc2c(c1)cc1n2CCNC1,CHEMBL269073,5.0
+CN(C)CCn1ccc2cc(F)c(F)cc21,CHEMBL40816,6.52
+Clc1cccc2cc3n(c12)CCNC3,CHEMBL288445,6.28
+Clc1ccc2c(c1)cc1n2CCNC1,CHEMBL443258,5.84
+COc1cccc2cc3n(c12)CCNC3,CHEMBL39417,5.7
+CN(C)CCn1ccc2ccccc21,CHEMBL38633,6.14
+COc1c2n(c3ccc(Cl)cc13)CCNC2,CHEMBL289061,6.48
+CC(N)Cn1ccc2ccc3ccccc3c21,CHEMBL39347,7.38
+COc1ccc2ccn(CCN(C)C)c2c1,CHEMBL38742,6.31
+Clc1ccc2cc3n(c2c1)CCNC3,CHEMBL290779,6.25
+c1ccc2c(c1)cc1n2CCNC1,CHEMBL6393,5.32
+COc1ccc2cc3n(c2c1)CCNC3,CHEMBL6385,5.29
+CC(N)Cc1c[nH]c2ccc3ccccc3c12,CHEMBL40815,8.05
+Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1,CHEMBL172269,6.38
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL42024,8.2
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL276140,8.6
+Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL297784,7.933
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,9.0
+CSc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL265991,8.2
+Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21,CHEMBL536255,6.91
+CC(N)Cn1ccc2c1-c1cc(F)ccc1C2(C)C,CHEMBL94272,8.3
+CC(N)Cn1ccc2c1-c1cc(F)ccc1C2,CHEMBL93154,8.5
+COc1ccc2c(c1)-c1c(ccn1C[C@@H](C)N)C2,CHEMBL3350300,8.4
+Cc1ccc2ccn(CC(C)N)c2c1,CHEMBL92040,7.8
+C[C@@H](N)Cn1ccc2cc(F)c(F)cc21,CHEMBL2115252,8.4
+COc1ccc2c(ccn2CC(C)N)c1,CHEMBL317564,6.1
+CC(N)Cc1c[nH]c2ccc(F)cc12,CHEMBL96816,8.0
+CC(N)Cn1ccc2cc(Cl)c(F)cc21,CHEMBL313856,8.7
+COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2,CHEMBL2114265,9.0
+Cc1cccc2c1ccn2CC(C)N,CHEMBL317677,8.2
+C[C@H](N)Cn1ccc2c(Cl)c(F)ccc21,CHEMBL2114266,8.9
+CC(N)Cn1ccc2cc(Cl)ccc21,CHEMBL328844,8.1
+COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C,CHEMBL318639,9.4
+COc1ccc2c(c1)Cc1ccn(CC(C)N)c1-2,CHEMBL273304,7.9
+CC(N)Cn1ccc2c1-c1cc(Cl)ccc1C2,CHEMBL91855,8.4
+CC(N)Cn1ccc2c(F)cccc21,CHEMBL92565,8.1
+Cc1ccc2c(ccn2CC(C)N)c1,CHEMBL93850,7.2
+CC(N)Cn1ccc2cc(F)ccc21,CHEMBL96883,8.2
+CC(N)Cn1ccc2ccc(F)cc21,CHEMBL92656,8.4
+COc1cccc2c1Cc1ccn(CC(C)N)c1-2,CHEMBL319998,7.0
+COc1cccc2c1-c1c(ccn1CC(C)N)C2,CHEMBL96876,7.9
+CC(N)Cn1ccc2cc(Br)ccc21,CHEMBL276673,8.4
+COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2,CHEMBL414163,9.0
+Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C,CHEMBL328761,8.5
+COc1cccc2c1ccn2CC(C)N,CHEMBL96095,6.9
+CC(N)Cn1ccc2c1-c1cc(Br)ccc1C2,CHEMBL320145,8.4
+C[C@@H](N)Cn1ccc2c(Cl)c(F)ccc21,CHEMBL2115254,8.9
+Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2,CHEMBL96312,8.1
+Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3,CHEMBL315223,7.18
+Cn1ccc2cc3c(cc21)CCCN3C(=O)Nc1cccnc1,CHEMBL84888,5.39
+Cc1cc(N2CCNCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2n1,CHEMBL97211,5.6
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,5.9
+CCc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL98965,5.9
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,5.48
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,4.9
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.3
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,7.8
+O=C(Nc1cccnc1)N1CCc2cc(I)c(Cl)cc21,CHEMBL43929,8.495
+CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL289436,8.5
+COc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL42257,7.9
+O=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21,CHEMBL296189,8.2
+CC(=O)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL43496,7.3
+O=C(Nc1cccnc1)N1CCc2ccccc21,CHEMBL42327,5.9
+O=C(Nc1cccnc1)N1CCc2cc(Br)cc([N+](=O)[O-])c21,CHEMBL295228,6.5
+Cc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2,CHEMBL296090,8.495
+CCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL43808,8.3
+CSc1c(Cl)cc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL417713,8.6
+CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL297445,7.7
+CSc1cc2c(cc1Br)CCN2C(=O)Nc1cccnc1,CHEMBL295020,7.3
+O=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)ccc21,CHEMBL296236,6.9
+CSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL38027,7.4
+O=C(Nc1cccnc1)N1CCc2ccc(C(F)(F)F)cc21,CHEMBL288108,7.3
+O=C(Nc1cccnc1)N1CCc2c1ccc(Cl)c2Cl,CHEMBL289063,7.6
+O=C(Nc1cccnc1)N1CCc2cc(-c3ccccc3)c(Cl)cc21,CHEMBL40579,6.9
+O=C(Nc1cccnc1)N1CCc2c(Cl)cccc21,CHEMBL38407,6.3
+O=C(Nc1cccnc1)N1CCc2cc(OCC3CC3)c(C(F)(F)F)cc21,CHEMBL290666,7.7
+O=C(Nc1cccnc1)N1CCc2cc(Cl)c(Cl)cc21,CHEMBL297043,8.1
+CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41792,8.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL14352,8.0
+CCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41510,8.2
+Cc1c(Cl)cc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL42681,8.4
+CCCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL296687,7.7
+CCOc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL44206,7.6
+CSc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL41940,8.7
+COc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL416806,7.9
+CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL44015,8.4
+O=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21,CHEMBL42806,7.5
+Cc1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL41153,6.8
+Cc1ccc2c(c1I)CCN2C(=O)Nc1cccnc1,CHEMBL42276,7.6
+O=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21,CHEMBL42273,6.5
+Cc1cc2c(cc1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL44095,8.0
+CC(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL40698,7.1
+CN(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1,CHEMBL40946,6.5
+CC(C)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL443518,7.6
+Cc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1,CHEMBL42463,8.1
+CC(C)(C)c1ccc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL44552,7.4
+CSc1ccc2c(c1Cl)CCN2C(=O)Nc1cccnc1,CHEMBL431729,7.2
+Cc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2,CHEMBL43916,8.4
+CSc1cc2c(cc1C#N)N(C(=O)Nc1cccnc1)CC2,CHEMBL42758,7.8
+CC(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL43633,7.7
+CSc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2,CHEMBL288129,8.7
+O=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21,CHEMBL290395,7.1
+O=C(Nc1cccnc1)N1CCc2ccc(Cl)cc21,CHEMBL38911,7.3
+CC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL40342,7.8
+O=C(Nc1cccnc1)N1CCc2ccc(Cl)c(Cl)c21,CHEMBL41347,6.1
+CSc1cc2c(cc1OC(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL296791,7.6
+CC(C)Sc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL40699,7.5
+COC(=O)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2,CHEMBL40341,7.5
+CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,CHEMBL41389,8.5
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,6.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL14255,9.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14374,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2,CHEMBL14726,8.9
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2,CHEMBL14606,9.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2,CHEMBL14401,8.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2,CHEMBL14863,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2,CHEMBL274066,8.6
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2,CHEMBL14841,8.5
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2,CHEMBL280322,5.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2,CHEMBL280465,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2,CHEMBL14652,8.3
+CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1,CHEMBL416896,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2,CHEMBL274692,8.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2,CHEMBL277111,8.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccccn3)c1)CC2,CHEMBL14548,7.7
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cnccc3C)c1)CC2,CHEMBL273345,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2,CHEMBL277732,7.1
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2,CHEMBL428879,8.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2,CHEMBL14469,8.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14460,9.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2,CHEMBL14458,8.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2,CHEMBL278267,7.8
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2,CHEMBL14345,9.1
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2,CHEMBL280297,8.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2,CHEMBL14864,9.4
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cnccc3C)c1)CC2,CHEMBL14362,9.2
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2,CHEMBL278685,7.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2,CHEMBL14111,9.5
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2,CHEMBL14276,9.0
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2,CHEMBL14076,8.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1C)CC2,CHEMBL14462,7.6
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2,CHEMBL446942,8.5
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2,CHEMBL14368,8.7
+COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1,CHEMBL276571,9.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2,CHEMBL417082,9.3
+COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2,CHEMBL299506,6.7
+CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL52919,8.6
+Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1,CHEMBL292228,8.9
+Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL59584,9.1
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2,CHEMBL294030,8.9
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL58765,8.5
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1,CHEMBL55958,7.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1,CHEMBL56050,8.5
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1,CHEMBL55079,9.0
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1,CHEMBL299726,8.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Br)cccc32)cn1,CHEMBL53053,7.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1,CHEMBL55292,8.9
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1,CHEMBL298696,7.8
+Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1,CHEMBL54775,8.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1,CHEMBL301784,8.7
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2,CHEMBL53793,6.9
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2,CHEMBL299938,8.7
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2,CHEMBL55964,8.8
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2,CHEMBL53308,8.7
+Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL56336,8.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1,CHEMBL300232,6.7
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1,CHEMBL56232,7.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2,CHEMBL55331,9.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2,CHEMBL53113,8.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL56508,8.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1,CHEMBL54610,8.4
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1,CHEMBL54769,8.495
+Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2,CHEMBL301012,9.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1,CHEMBL433060,8.495
+CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55792,8.7
+CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1,CHEMBL55472,8.8
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1,CHEMBL291510,8.3
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1,CHEMBL59097,8.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1,CHEMBL299530,8.2
+Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1,CHEMBL53152,8.9
+CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL54560,9.4
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2,CHEMBL55207,9.3
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2,CHEMBL52308,8.7
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2,CHEMBL55969,8.4
+Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1,CHEMBL53939,8.2
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21,CHEMBL293597,7.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2,CHEMBL54719,9.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2,CHEMBL55914,9.4
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2,CHEMBL55344,8.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2,CHEMBL55784,8.5
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2,CHEMBL52592,8.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2,CHEMBL291949,8.9
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21,CHEMBL300618,8.2
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21,CHEMBL52783,7.1
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2,CHEMBL55597,8.3
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2,CHEMBL293937,8.6
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2,CHEMBL54707,9.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2,CHEMBL55335,8.6
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21,CHEMBL55388,7.8
+O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21,CHEMBL56405,8.1
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2,CHEMBL54484,8.4
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2,CHEMBL53063,7.6
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2,CHEMBL301409,8.3
+Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2,CHEMBL432879,8.3
+Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCNCC3)c2)cc1,CHEMBL24474,7.69
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL157910,6.0
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.2
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1,CHEMBL88193,7.3
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1,CHEMBL90175,8.1
+COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL93862,9.7
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,CHEMBL92809,7.4
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1,CHEMBL328375,8.0
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1,CHEMBL89967,8.0
+COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL432217,8.0
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl,CHEMBL313745,6.4
+COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1,CHEMBL310656,8.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL91454,8.8
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1,CHEMBL88571,7.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL88894,8.3
+COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90346,8.4
+COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL90470,8.2
+COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1,CHEMBL90467,7.7
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1,CHEMBL88809,7.4
+COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL91221,9.6
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL90565,8.8
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL90267,7.1
+Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C,CHEMBL300835,7.1
+COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl,CHEMBL56557,7.3
+CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL54062,7.5
+Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1,CHEMBL59266,6.2
+CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL57135,7.5
+CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1,CHEMBL417753,6.9
+CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21,CHEMBL301209,7.3
+Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21,CHEMBL299498,7.6
+Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1,CHEMBL281350,6.2
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.0
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.3
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,6.57
+O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL164471,7.36
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21,CHEMBL333174,7.4
+Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1,CHEMBL354951,7.05
+Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1,CHEMBL422923,6.46
+Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1,CHEMBL323356,5.82
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,6.4
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.2
+O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,CHEMBL63354,5.59
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.24
+Oc1ccc2[nH]cc(/C=N/Nc3ncc[nH]3)c2c1,CHEMBL77734,6.95
+N=C(NCCc1ccc(Cl)c(Cl)c1)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL545461,6.84
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC(C)C)cc12,CHEMBL75420,7.17
+N=C(N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL542405,7.36
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(=O)[nH]c12,CHEMBL74208,6.46
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OCC=C(C)C)cc12,CHEMBL74594,6.74
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL6621,7.95
+CCCCCCCN(C)C(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL76552,6.82
+O=C1c2ccsc2CC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL554199,7.06
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21,CHEMBL545727,5.96
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1,CHEMBL542181,6.44
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL544091,6.48
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1,CHEMBL92673,6.38
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21,CHEMBL143937,6.64
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1,CHEMBL87026,6.3
+O=C1c2sccc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL111352,7.16
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,5.55
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL163012,6.42
+O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1,CHEMBL163180,5.77
+COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1,CHEMBL109528,6.04
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1,CHEMBL87458,6.08
+COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL110847,7.09
+COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1,CHEMBL121744,5.92
+O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1,CHEMBL325253,5.4
+O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL160907,5.71
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL87717,6.78
+COc1ccccc1N1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL161423,6.55
+COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL92145,6.63
+COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL160019,6.24
+O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL110948,6.9
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21,CHEMBL111393,6.03
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21,CHEMBL320572,6.792000000000001
+O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21,CHEMBL159771,6.07
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL159929,6.465
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21,CHEMBL120903,6.23
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1,CHEMBL321682,6.45
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2,CHEMBL155006,6.65
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL87943,6.65
+O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL111189,6.4
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(CCCC(=O)c3ccc(F)cc3)CC1)C2,CHEMBL163605,6.63
+O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL96781,5.48
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2,CHEMBL349832,5.44
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL162901,7.45
+c1cc2c3c(c1)c1c(n3CCNC2)CCCCCC1,CHEMBL89738,7.89
+c1cc2c3c(c1)c1c(n3CCNC2)CCCCC1,CHEMBL314832,7.42
+c1cc2c3c(c1)c1c(n3CCNC2)CCC1,CHEMBL315480,7.01
+CCN1CCc2cc3ccccc3n2CC1,CHEMBL308958,7.42
+Cn1c2c(c3ccccc31)CCNCC2,CHEMBL6557,7.72
+c1cc2c3c(c1)c1c(n3CCO2)CCNCC1,CHEMBL76494,8.37
+CN1CCc2cc3ccccc3n2CC1,CHEMBL312179,7.89
+c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL310620,8.21
+c1ccc2c(c1)cc1n2CCNCC1,CHEMBL312258,8.32
+COC[C@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91122,5.52
+CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL330303,7.82
+CCN(C)CCc1c(-c2cccs2)[nH]c2ccccc12,CHEMBL92416,6.92
+CN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91447,6.74
+CCN(C)CCc1c(-c2ccccc2F)[nH]c2ccccc12,CHEMBL91197,7.52
+CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12,CHEMBL90911,7.92
+CCN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91549,7.96
+CCN(C)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL328459,7.51
+CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12,CHEMBL90837,7.44
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCCC2)cc1,CHEMBL90347,6.59
+CCN(C)CCc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12,CHEMBL91542,6.8
+c1ccc(-c2[nH]c3ccccc3c2CCN2CCCCC2)cc1,CHEMBL91205,6.57
+COC[C@@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL91446,7.54
+C[C@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90739,6.64
+CCN(CC)CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL328257,6.8
+CCN(C)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL91463,7.44
+CCN(C)CCc1c(-c2cccc(F)c2)[nH]c2ccccc12,CHEMBL328595,8.08
+C[C@@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL90263,7.44
+CN(C)CC1C[C@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL96732,6.78
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL327651,7.55
+O=C(c1ccc(F)cc1)C1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL328662,7.77
+CNCC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329685,8.01
+CN1CCN(CC2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1,CHEMBL316068,6.92
+CN(C)CC1C[C@@H]2c3ccccc3Sc3ccccc3[C@H]2O1,CHEMBL327306,7.61
+CN(C)CC1C[C@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL330713,6.74
+c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1,CHEMBL314968,6.62
+OCCN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL92337,6.77
+CNC[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL2112371,7.8
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1,CHEMBL328573,9.0
+CN(C)CC1C[C@@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL96158,7.51
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,9.03
+Clc1cccc(N2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1,CHEMBL92333,6.97
+CN(C)CC1C[C@@H]2c3ccccc3N(C)c3ccccc3[C@H]2O1,CHEMBL328356,7.89
+CN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL318659,6.17
+CN(C)CC1C[C@@H]2c3ccccc3OCc3ccccc3[C@H]2O1,CHEMBL93321,7.49
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329268,8.49
+CN(C)CC1C[C@@H]2c3ccccc3COc3ccccc3[C@H]2O1,CHEMBL328209,6.91
+c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)cc1,CHEMBL96471,7.37
+c1ccc2c(c1)Cc1ccccc1[C@H]1CC(CN3CCOCC3)O[C@H]21,CHEMBL96429,7.57
+CN(C)CC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL92667,8.17
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL497877,7.72
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1,CHEMBL507898,8.3
+O=C1NCCN1CCN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL295596,5.6
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL523585,6.81
+c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1,CHEMBL295559,6.4
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1,CHEMBL497054,7.3
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2C2CCCNC2)cc1,CHEMBL296512,7.8
+c1ccc(CCN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL44310,5.62
+Fc1cccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c12,CHEMBL498729,6.88
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c2c1,CHEMBL504699,8.0
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1,CHEMBL523245,7.72
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1,CHEMBL523760,7.07
+c1ccc(CCN2[C@H]3CC[C@@H]2CC(c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1,CHEMBL2113667,6.4
+c1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1,CHEMBL40584,7.1
+Fc1ccc2[nH]c(-c3ccccc3)c([C@@H]3CNCC[C@H]3F)c2c1,CHEMBL497878,6.3
+CN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL43819,6.82
+c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL46523,5.7
+CN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL43697,5.7
+c1ccc(-c2[nH]c3ccccc3c2C2CCCNC2)cc1,CHEMBL42557,7.05
+O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F,CHEMBL497064,7.32
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,6.39
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,5.96
+CCOc1c(OC)cc(CCN)cc1OC,CHEMBL319415,6.75
+COc1cc(CCN)cc(OC)c1OC,CHEMBL26687,6.52
+C[C@H]1Cn2c3c(c4cccc(c42)CN1)CCCC3,CHEMBL313022,6.34
+CC1(C)Cc2c(c3cccc4c3n2CCNC4)C(C)(C)C1,CHEMBL314019,7.1
+Clc1cc2c3c(c1)c1c(n3CCNC2)CCCC1,CHEMBL89125,6.45
+Fc1ccc2c3c1c1c(n3CCNC2)CCCC1,CHEMBL88248,6.95
+CC1(C)CCc2c(c3cccc4c3n2CCNC4)C1,CHEMBL89265,6.61
+Cc1cc2c3c(c1)c1c(n3CCNC2)CCCC1,CHEMBL89070,6.22
+C[C@@H]1Cn2c3c(c4cccc(c42)CN1)CCCC3,CHEMBL89497,6.72
+Cc1cc2c3c(c1)c1c(n3CCNC2)CCC1,CHEMBL330058,6.01
+COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2,CHEMBL307770,5.38
+CC(N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL149024,10.7
+COc1cc(CC(C)N)c(OC)cc1I,CHEMBL6616,8.74
+COc1ccc2[nH]cc(C(C)CN)c2c1,CHEMBL149564,9.0
+N[C@H]1C[C@@H]1c1c[nH]c2ccccc12,CHEMBL357702,7.67
+NC1CC1c1c[nH]c2ccccc12,CHEMBL358810,7.52
+CC(CN)c1c[nH]c2ccccc12,CHEMBL148463,8.03
+NC1CC1c1c[nH]c2ccc(F)cc12,CHEMBL147656,8.72
+COc1ccc2[nH]cc(C3CC3N)c2c1,CHEMBL147434,7.75
+N[C@@H]1C[C@H]1c1c[nH]c2ccccc12,CHEMBL358522,7.36
+COc1cccc2[nH]cc(C3CC3N)c12,CHEMBL148091,7.93
+Fc1ccc(CCN2CCC3(CCc4ccccc4C3)CC2)c(F)c1,CHEMBL150210,6.49
+Fc1ccc(CCN2CCC3(CCc4cccc(F)c4O3)CC2)c(F)c1,CHEMBL149423,6.72
+N#Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL150220,6.19
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL145939,7.6
+NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL148058,7.0
+N#Cc1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL147048,7.41
+OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL146144,6.64
+O=S(=O)(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL358075,7.132000000000001
+O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL83894,9.0
+O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL122761,6.07
+O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2,CHEMBL146595,7.39
+Fc1ccc(CCN2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1,CHEMBL148348,6.22
+OC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1,CHEMBL149510,5.82
+Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1,CHEMBL147431,6.35
+COc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2,CHEMBL357807,7.55
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL146620,6.89
+NC(=O)c1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL146485,7.74
+O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL149429,7.24
+Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1,CHEMBL147164,6.36
+COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL146233,6.82
+N#Cc1ccccc1S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL146998,7.33
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL148280,7.34
+C[C@H](N)CN1CCc2ccc(Cl)cc21,CHEMBL76307,7.89
+CSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL451543,8.24
+CCSc1ccc2c(c1)N(C[C@H](C)N)CC2,CHEMBL80862,7.8
+C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21,CHEMBL80246,7.59
+CCSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL80731,8.19
+C[C@H](N)CN1CCc2ccc(Br)cc21,CHEMBL309760,7.62
+C[C@H](N)CN1CCc2cc(F)c(I)cc21,CHEMBL76301,7.77
+C[C@H](N)CN1CCc2cc(F)c(Cl)cc21,CHEMBL80366,7.85
+CSc1cc2c(cc1F)CCN2C[C@H](C)N,CHEMBL76474,8.49
+C[C@H](N)CN1CCc2ccc3c(c21)CCO3,CHEMBL77880,8.06
+C[C@H](N)CN1CCc2ccc3c(c21)CCCO3,CHEMBL80482,7.42
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,7.84
+Clc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL311726,7.64
+CCOc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)cc1,CHEMBL77418,6.58
+Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CCNCCC2C3)c1,CHEMBL311614,6.8
+Fc1ccccc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310844,6.65
+CCCN1CCc2cc3ccccc3n2CC1,CHEMBL80603,7.19
+O=Cc1c2n(c3ccccc13)CCNCC2,CHEMBL310473,7.92
+Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCCC1C2,CHEMBL310540,7.24
+N#Cc1c2n(c3ccccc13)CCNCC2,CHEMBL78164,7.07
+Cc1ccccc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310497,7.37
+c1ccc2c(c1)CC1CCNCCN21,CHEMBL306540,6.14
+O=C(c1c2n(c3ccccc13)CCNCC2)C(F)(F)F,CHEMBL310090,7.27
+Cc1c2n(c3ccccc13)CCNCC2,CHEMBL312742,8.17
+NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2,CHEMBL79153,6.87
+CCOc1ccccc1-c1ccc2c(c1)N1CCNCCC1C2,CHEMBL305655,6.03
+NC(=O)c1c2n(c3ccccc13)CCNCC2,CHEMBL312222,7.13
+CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)c1,CHEMBL75738,6.33
+CCOc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL76099,6.8870000000000005
+Clc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)c(Cl)c1,CHEMBL309570,6.41
+CCOc1ccccc1-c1cc(Cl)cc2cc3n(c12)CCNCC3,CHEMBL76153,6.95
+Clc1c2n(c3ccccc13)CCNCC2,CHEMBL77234,8.33
+Fc1ccc(-c2cc(Cl)cc3c2N2CCNCCC2C3)cc1,CHEMBL80706,6.51
+CCOc1ccccc1-c1ccc2c(c1)CC1CCNCCN21,CHEMBL310797,5.32
+COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCCC1C2,CHEMBL310984,6.1
+Cc1ccccc1-c1cccc2c1N1CCNCCC1C2,CHEMBL76645,7.465
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,5.66
+C[C@H](N)Cn1ccc2ccc(F)cc21,CHEMBL80226,8.4
+CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL440513,8.04
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1O,CHEMBL104308,8.26
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4C)CC3)nc2N)cc1,CHEMBL105372,7.79
+CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL321785,8.07
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1,CHEMBL104636,7.92
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc1,CHEMBL324892,7.98
+Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1Cl,CHEMBL106176,8.06
+COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N,CHEMBL107847,8.26
+Nc1nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(N)c1Cc1ccccc1,CHEMBL106911,7.67
+COc1cc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc(OC)c1OC,CHEMBL104709,7.74
+COc1cccc(Cc2c(N)nc(SCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2N)c1,CHEMBL107860,8.31
+Nc1nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc(N)c1Cc1ccccc1O,CHEMBL107912,8.21
+COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1N,CHEMBL106794,8.11
+COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccc(C)cc4)CC3)nc2N)cc1,CHEMBL104903,6.52
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL11,6.8
+c1ccc2c(c1)Cc1ccccc1C21CCNC1,CHEMBL307956,7.62
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL444342,6.49
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL166310,7.03
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL166366,6.3
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCO3,CHEMBL349057,6.18
+Nc1ccc(F)cc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165723,6.59
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL163261,6.83
+O=CNc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164744,6.59
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL348977,6.97
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL352686,7.03
+Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL165126,6.17
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccc(F)cc1,CHEMBL352648,6.22
+CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162102,6.19
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL354005,7.05
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL349683,6.87
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL165780,6.89
+Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL424384,6.12
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3,CHEMBL349151,6.34
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccccc1,CHEMBL350567,6.38
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3,CHEMBL352194,6.97
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3,CHEMBL163742,6.38
+Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351459,6.63
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3,CHEMBL163904,7.15
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3,CHEMBL351247,6.74
+CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164338,6.46
+CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL163895,7.32
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3,CHEMBL351708,6.47
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3,CHEMBL165897,6.87
+Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL352182,6.95
+CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL168051,6.6
+Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3,CHEMBL351592,7.28
+Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164909,6.59
+Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL164185,6.73
+CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3,CHEMBL162768,6.65
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.1
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2ccccc21,CHEMBL155124,5.48
+COc1ccc2c(c1)CC(CN1CCN(c3ccccc3OC)CC1)CC2=O,CHEMBL155426,7.33
+COc1cc2c(cc1OC)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL155257,6.843
+COc1ccc2c(c1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL421801,6.053
+COc1ccc2c(c1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL153956,5.9670000000000005
+COc1ccc2c(c1)CC(CN1CCN(c3ccccn3)CC1)CC2=O,CHEMBL348617,5.34
+CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1,CHEMBL68131,7.0
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.8
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.9
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,5.8
+Cc1c2n(c3ccc(Cl)cc13)CCNC2,CHEMBL40879,6.35
+O=S(=O)(c1ccccc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175586,7.31
+O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175832,6.882999999999999
+N#Cc1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL368816,5.83
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1F,CHEMBL177807,6.89
+O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177401,7.31
+O=S(=O)(c1ccc(Cl)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175544,6.4
+O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177416,7.85
+O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL176109,6.07
+C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL413049,7.7
+C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1,CHEMBL182418,6.8
+CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1,CHEMBL180086,8.0
+CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1,CHEMBL182071,7.4
+C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1,CHEMBL183423,7.89
+C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1,CHEMBL184789,6.32
+C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1,CHEMBL363452,7.82
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12,CHEMBL361929,7.47
+Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190584,8.59
+Clc1ccc2c(c1)N1CCNCC1C2,CHEMBL188605,7.51
+Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2,CHEMBL188033,8.77
+Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2,CHEMBL364534,8.02
+CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL187787,6.17
+C[C@H]1CNC[C@@H]2Cc3ccccc3N12,CHEMBL2096711,6.74
+Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2,CHEMBL190699,9.52
+C[C@@H]1CNC[C@H]2Cc3ccccc3N12,CHEMBL2112055,8.66
+Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2,CHEMBL191054,8.72
+Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2,CHEMBL187739,8.82
+C[C@@H]1CNC[C@@H]2Cc3ccccc3N21,CHEMBL2096809,7.775
+Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2,CHEMBL425545,7.49
+Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2,CHEMBL190124,8.89
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12,CHEMBL361079,8.85
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12,CHEMBL187888,8.42
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,8.82
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,7.41
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,8.12
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,8.37
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,8.43
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.62
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL195856,7.77
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,8.05
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,9.19
+O=S(=O)(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL362487,6.42
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccccc3[C@@H]2O1,CHEMBL194994,6.74
+CN(C)CC1CC2c3ccccc3Oc3ccccc3C2O1,CHEMBL2113093,6.75
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL362950,7.2
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL197135,7.39
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL371207,7.68
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL363619,7.92
+CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193614,7.06
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL365101,8.22
+COc1ccc2c(c1)[C@H]1O[C@@H](CN(C)C)C[C@H]1c1ccccc1O2,CHEMBL371984,6.63
+COc1ccc2c(c1)[C@H]1O[C@H](CN(C)C)C[C@H]1c1ccccc1O2,CHEMBL381664,7.14
+CCOC(=O)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL370780,6.61
+Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL373174,7.24
+Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(-c5ccccc5)cc43)C[C@H]1c1ccccc1O2,CHEMBL194442,6.74
+N#Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL363622,6.74
+O=C1CCN1c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL196932,6.45
+Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(CN5CCOCC5)cc43)C[C@H]1c1ccccc1O2,CHEMBL381000,5.39
+Nc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL370607,6.57
+CN(C)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1,CHEMBL427007,6.8
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,6.54
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,6.64
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1Cl,CHEMBL609742,6.25
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,6.63
+c1ccc2c(N3CCN(CCc4ccc5c(c4)NCN5)CC3)cccc2c1,CHEMBL182721,7.19
+Cc1cccc(N2CCN(CCc3ccc4n[nH]nc4c3)CC2)c1C,CHEMBL184770,7.84
+c1ccc2c(N3CCN(CCc4ccc5n[nH]nc5c4)CC3)cccc2c1,CHEMBL363124,7.26
+COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1,CHEMBL183776,7.35
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,5.5
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,6.0
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.4
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.2
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,6.57
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,8.19
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,5.55
+COc1ccc(NC(=O)N2CCN(c3ccc(SC)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197796,5.94
+COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1,CHEMBL195927,5.0
+COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL15928,6.98
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,5.71
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,5.91
+COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1,CHEMBL196169,5.97
+CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21,CHEMBL371753,6.91
+CN(C)CCc1c[nH]c2cccc(F)c12,CHEMBL197646,7.085
+CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1,CHEMBL371899,6.99
+Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12,CHEMBL445331,6.33
+CN(C)Cc1c[nH]c2cccc(O)c12,CHEMBL194588,7.76
+CN(C)Cc1cn(C)c2cccc(O)c12,CHEMBL370221,6.98
+CC(Cc1c[nH]c2cccc(O)c12)N(C)C,CHEMBL194202,6.9
+CN(C)CCn1ccc2c(O)cccc21,CHEMBL194203,5.52
+Cc1[nH]c2cccc(O)c2c1CCN(C)C,CHEMBL370859,6.27
+COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2,CHEMBL197630,9.2
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198171,8.7
+COc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCN1CCCCC1,CHEMBL198458,7.5
+COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1,CHEMBL198097,8.0
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL197807,9.1
+COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1,CHEMBL383800,8.9
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198330,8.8
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL199177,7.9
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C,CHEMBL197170,8.4
+COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO,CHEMBL198192,5.9
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL198007,8.5
+COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C,CHEMBL196953,8.9
+COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL198109,8.1
+O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL371211,7.6
+O=C1N(c2ccc(OCc3ccccn3)nc2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL372810,6.4
+COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1,CHEMBL198712,8.2
+COc1ccc(-n2ccn(-c3cc(F)cc(F)c3)c2=O)cc1OCCN1CCCCC1,CHEMBL198015,8.1
+COc1ccc(N2CC(=O)N(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL198440,7.3
+COc1ccc(N2CCN(c3cc(F)cc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL372339,9.0
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.26
+NCCn1ncc2ccc(O)cc21,CHEMBL199385,8.02
+C[C@H](N)Cn1ncc2ccc(O)cc21,CHEMBL371300,8.52
+C[C@@H](N)Cn1ncc2ccc(O)cc21,CHEMBL437314,7.47
+Cc1c(O)ccc2cnn(C[C@H](C)N)c12,CHEMBL200104,8.44
+C[C@H](N)Cn1ncc2ccc(O)c(F)c21,CHEMBL197653,9.0
+C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21,CHEMBL373245,8.92
+C[C@H](N)Cn1ncc2ccc(O)c(I)c21,CHEMBL201132,8.32
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.0
+Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL379223,6.77
+COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL383042,6.77
+C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21,CHEMBL202324,7.07
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1,CHEMBL201117,7.11
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1,CHEMBL380763,7.11
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl,CHEMBL202538,7.41
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2,CHEMBL202458,7.8
+C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1,CHEMBL202616,7.8
+C[C@H](N)Cn1ccc2ccc3cnccc3c21,CHEMBL202656,7.14
+C[C@H](N)Cn1ccc2ccc3ccncc3c21,CHEMBL201897,7.43
+C[C@H](N)Cn1ccc2ccc3cccnc3c21,CHEMBL201062,7.57
+C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21,CHEMBL201454,8.62
+C[C@H](N)Cn1ccc2ccc3ncccc3c21,CHEMBL201930,8.8
+Clc1ccc2c(n1)N1CCNCC1C2,CHEMBL203025,6.88
+C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21,CHEMBL383694,7.68
+C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12,CHEMBL203393,9.1
+C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21,CHEMBL203396,7.28
+C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12,CHEMBL203230,8.8
+CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206618,7.03
+CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206394,8.64
+C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL382618,7.41
+C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12,CHEMBL203013,8.42
+COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL383051,7.8
+C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12,CHEMBL206386,7.27
+C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12,CHEMBL206333,7.85
+Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL206845,8.57
+COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2,CHEMBL205671,6.98
+C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12,CHEMBL202795,7.22
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,5.67
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,6.06
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,6.02
+O=C(c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL207386,7.55
+O=C(c1ccccc1F)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL210230,6.98
+O=S(=O)(c1ccccc1-c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL380682,6.74
+O=S(=O)(c1ccccc1-c1cccc2ccccc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL206308,7.02
+N#Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL206307,7.15
+O=S(=O)(c1ccccc1Cl)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL210413,6.39
+O=S(=O)(c1ccccc1F)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL209415,6.62
+O=S(=O)(c1cccc(F)c1)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL383530,6.0
+O=S(=O)(c1ccc(F)cc1)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL379850,5.69
+O=S(=O)(c1ccc(F)cc1)N1CC=C(CCc2ccc(F)cc2F)CC1,CHEMBL210849,6.35
+O=S(=O)(c1ccc(F)cc1)N1CCC(F)(CCc2ccc(F)cc2F)CC1,CHEMBL207064,6.09
+O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL207850,5.42
+N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cccc12,CHEMBL207566,6.25
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCC1,CHEMBL211850,8.4
+O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(Cl)c(OCCN2CCCCC2)c1,CHEMBL380264,7.2
+CC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL211103,7.3
+Cc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL209424,6.9
+O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(N2CCCC2)c(OCCN2CCCCC2)c1,CHEMBL209900,6.7
+COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213839,9.1
+COc1ccc(N2CC=C(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212064,8.3
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL213272,8.2
+COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL213328,7.9
+COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL377174,9.5
+COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL210053,8.9
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL212886,8.3
+COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL386431,8.2
+COc1ccc(N2CC=C(c3ccc(Cl)c(F)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL211466,8.1
+COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL215864,8.5
+COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL386332,8.8
+COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209431,7.9
+COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209432,8.4
+COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212270,8.6
+COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL208894,8.1
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1,CHEMBL211267,8.2
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(F)(F)CC1,CHEMBL210124,8.1
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL209573,8.5
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL376962,8.4
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1,CHEMBL209735,7.9
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL385921,7.9
+O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(OCCN2CCCCC2)c1,CHEMBL211980,7.0
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL439504,7.9
+O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1,CHEMBL213368,6.1
+CC(=O)Nc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL383942,6.5
+COc1ccc(N2CCC(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL386215,7.6
+COc1ccc(N2CCC(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL213358,7.0
+Cc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL379861,6.4
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL379336,7.9
+COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C(C)C)CC1,CHEMBL209387,7.6
+COc1ccc(N2CCC(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL214397,7.0
+COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL214398,8.3
+COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL212769,8.3
+COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1,CHEMBL213958,7.0
+COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl,CHEMBL211719,7.7
+COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F,CHEMBL209727,7.8
+COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL427398,8.0
+COc1ccc(C2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL209674,8.0
+COc1ccc(C2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212686,7.7
+COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL210007,8.3
+COc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1,CHEMBL210059,8.0
+COc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl,CHEMBL387022,8.3
+COc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F,CHEMBL380020,8.2
+COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL438963,8.2
+COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1,CHEMBL426684,6.7
+COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL212482,6.9
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213987,9.1
+CC1c2ccc(F)cc2[C@H]2CNC[C@@H]12,CHEMBL441536,5.52
+Cc1cccc2c1[C@H]1CNC[C@H]1C2C,CHEMBL380246,5.73
+Cc1ccc2c(c1)[C@H]1CNC[C@H]1C2C,CHEMBL213271,5.48
+Cc1ccc2c(c1)C(C)[C@@H]1CNC[C@H]21,CHEMBL213273,5.77
+Cc1cccc2c1C(C)[C@@H]1CNC[C@H]21,CHEMBL377593,5.47
+COc1cc2c(cc1Cl)C(C)[C@@H]1CNC[C@H]21,CHEMBL380064,6.28
+Cc1cc2c(cc1Cl)[C@H]1CNC[C@H]1C2C,CHEMBL212396,6.33
+Cc1cc2c(cc1Cl)C(C)[C@@H]1CNC[C@H]21,CHEMBL212858,6.97
+Cc1cc2c(cc1Br)[C@H]1CNC[C@H]1C2C,CHEMBL377834,6.68
+Cc1cc2c(cc1Br)C(C)[C@@H]1CNC[C@H]21,CHEMBL426695,6.33
+CC1c2cc(Cl)c(Cl)cc2[C@H]2CNC[C@@H]12,CHEMBL373787,6.99
+COc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21,CHEMBL425777,7.85
+COc1cc2c(cc1Br)[C@H](C)[C@@H]1CNC[C@H]21,CHEMBL211385,7.57
+CCOc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21,CHEMBL211818,6.64
+C[C@H]1c2cc(Cl)c(O)cc2[C@H]2CNC[C@H]21,CHEMBL209915,7.57
+Cc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21,CHEMBL209649,6.81
+Cc1cc2c(cc1Cl)[C@H]1CNC[C@H]1[C@H]2C,CHEMBL379180,6.87
+C[C@H]1c2cc(Cl)c(Cl)cc2[C@H]2CNC[C@H]21,CHEMBL213590,6.81
+C[C@@H]1c2cc(Cl)c(Cl)cc2[C@H]2CNC[C@@H]12,CHEMBL214362,5.94
+C[C@H]1c2c(ccc(Cl)c2Cl)[C@H]2CNC[C@H]21,CHEMBL441531,8.3
+C[C@H]1c2cc(Cl)ccc2[C@H]2CNC[C@H]21,CHEMBL438611,6.04
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL385254,6.8
+O=C(c1ccc(F)cc1)c1cc2n(c1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O,CHEMBL217196,5.28
+O=C1c2cc(Cc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL216242,6.15
+O=C1c2cc(CCc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL450942,5.6
+O=C1c2cc(-c3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL216280,7.0
+O=C1c2ccccc2C2CNCCN12,CHEMBL376455,6.2
+O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12,CHEMBL223584,5.96
+O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL222514,8.15
+CC(C)Oc1cccc2c1C(=O)N1CCNCC21,CHEMBL223628,6.94
+O=C1c2c(O)cccc2C2CNCCN12,CHEMBL387344,6.01
+CSc1cccc2c1C(=O)N1CCNCC21,CHEMBL220207,7.4
+N#Cc1cccc2c1C(=O)N1CCNCC21,CHEMBL223090,6.52
+O=C1c2c(Cl)cccc2C2CNCCN12,CHEMBL223896,7.51
+O=C1c2c(F)cccc2C2CNCCN12,CHEMBL223469,5.99
+O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12,CHEMBL219734,7.7
+COc1cccc2c1C(=O)N1CCNCC21,CHEMBL376456,6.88
+O=C1c2c(cccc2C(F)(F)F)C2CNCCN12,CHEMBL220274,7.72
+CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL375302,6.47
+C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12,CHEMBL219837,7.54
+CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL2113264,7.89
+C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL223272,7.66
+C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12,CHEMBL376676,7.13
+C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL223271,6.49
+C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL373402,6.43
+CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,CHEMBL220789,5.84
+CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1,CHEMBL375642,6.37
+CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL223440,6.91
+COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,CHEMBL220157,6.68
+CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21,CHEMBL374436,7.44
+COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O,CHEMBL222466,5.63
+CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21,CHEMBL223468,7.43
+COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21,CHEMBL385577,6.75
+O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12,CHEMBL220900,6.97
+O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12,CHEMBL375575,5.96
+COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL373531,7.23
+CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223466,6.37
+Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,CHEMBL223292,6.03
+COc1ccc(Cl)c2c1C(=O)N1CCNC[C@@H]21,CHEMBL220521,5.3
+CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1,CHEMBL220833,7.47
+O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL375170,7.46
+C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220115,6.48
+C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL222566,7.37
+CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373695,7.29
+CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373483,7.24
+CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL373905,7.32
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL221113,7.7
+Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374562,8.05
+CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL374660,6.8
+COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL220211,7.4
+O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL374659,6.34
+CC(=O)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,CHEMBL223441,5.79
+O=C1c2c(cc(Cl)cc2C(F)(F)F)[C@@H]2CNCCN12,CHEMBL374463,6.05
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222301,5.36
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1,CHEMBL395501,8.0
+CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231350,8.3
+CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231349,7.4
+COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231249,7.4
+CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231648,7.4
+CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231546,6.9
+CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL397476,7.8
+Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL395525,7.1
+Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL230930,6.4
+Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1,CHEMBL230070,7.9
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2CC1,CHEMBL388674,6.9
+Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1,CHEMBL230069,7.3
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1,CHEMBL231640,7.0
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1,CHEMBL231431,7.5
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231430,7.7
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL231334,8.0
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1,CHEMBL266018,7.3
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1,CHEMBL388247,7.5
+COc1ccc(N2Cc3ccccc3C2=O)cc1OCCN1CCCCC1,CHEMBL233064,7.3
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCOCC1,CHEMBL233859,7.9
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1,CHEMBL395072,8.6
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1,CHEMBL234494,8.7
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C,CHEMBL397709,8.2
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCC1C,CHEMBL234493,8.0
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1,CHEMBL234492,8.6
+COc1ccc(N2Cc3cc(C)cc(C)c3C2=N)cc1OCCN1CCC(C)CC1,CHEMBL397473,6.9
+COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396527,8.5
+COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234739,9.4
+COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395298,8.9
+COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234738,8.6
+COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234533,9.0
+COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234532,8.8
+COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395297,8.3
+COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234531,8.7
+COc1ccc(N2Cc3c(F)ccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234315,8.2
+COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1,CHEMBL395059,8.9
+COc1ccc(N2Cc3cccc(OC)c3C2=O)cc1OCCN1CCCCC1,CHEMBL234313,6.7
+COc1ccc(N2Cc3cccc(C#N)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234111,8.0
+COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396748,8.8
+COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234006,8.6
+COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL234109,9.1
+COc1ccc(N2Cc3cccc(F)c3C2=O)cc1OCCN1CCCCC1,CHEMBL233900,7.1
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL396747,8.8
+COc1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL233899,7.7
+COc1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL233898,7.6
+COc1ccc(N2Cc3c(Cl)cccc3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL233692,6.9
+COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1,CHEMBL396505,8.4
+COc1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1OCCN1CCCCC1,CHEMBL233691,7.8
+COc1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1OCCN1CCCCC1,CHEMBL231839,7.3
+COc1ccc(N2Cc3c(Cl)cccc3C2=O)cc1OCCN1CCCCC1,CHEMBL231838,6.6
+COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL234947,8.2
+COc1ccc(N2C(=O)c3c(n(C)c4ccccc34)C2O)cc1OCCN1CCC(C)CC1,CHEMBL233440,8.3
+COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232254,8.6
+COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232047,7.8
+COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL395098,8.6
+COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232046,8.5
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1,CHEMBL232045,8.4
+COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O,CHEMBL231833,7.5
+COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL231832,7.9
+COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL234948,8.6
+COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL397259,8.3
+COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1,CHEMBL535626,8.2
+COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCCCC1,CHEMBL233442,8.5
+COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1,CHEMBL388882,8.8
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.59
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL300780,6.39
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL242644,5.4
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL396024,5.55
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,6.94
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL244989,6.75
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL394541,6.59
+O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244775,6.95
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL244774,7.13
+Cc1cccnc1-c1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL244773,7.51
+Cc1cccc(-c2ccc(C(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,CHEMBL398175,7.02
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,CHEMBL244562,7.97
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL241973,6.13
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,6.49
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL180010,7.33
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,6.88
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,7.28
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,6.2
+O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL231156,7.1
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL390253,7.6
+CC(=O)OC(CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL242434,7.07
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,7.4
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,6.7
+CCN1CCC[C@H](Cn2c(-c3ccccc3C)nc3ccc(-c4ccc(Cl)cc4)cc3c2=O)C1,CHEMBL243884,6.92
+NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12,CHEMBL392760,6.91
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,5.6
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,5.6
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,5.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,5.4
+O=S(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL240886,6.7
+O=S(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F,CHEMBL238760,7.37
+O=S(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F,CHEMBL395459,6.8
+COc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240878,5.85
+O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F,CHEMBL240877,6.09
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F,CHEMBL240876,6.24
+N#Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL395458,7.72
+Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240680,6.66
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2Cl)nc1)c1ccccc1F,CHEMBL397112,7.19
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F,CHEMBL240865,6.39
+O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1,CHEMBL240839,5.57
+COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL246794,6.06
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,6.91
+Cc1noc2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL391985,6.13
+Cn1ncc2c1CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL246488,6.15
+Cn1ncc2c1CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,CHEMBL437007,6.96
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,6.18
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,6.68
+CCC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270176,6.42
+CC1N=C(N)Nc2c(Cl)ccc(Cl)c21,CHEMBL272781,7.13
+COc1c(Cl)ccc2c1C(C)N=C(N)N2,CHEMBL258073,7.13
+COc1cc(Cl)c(C)c2c1NC(N)=NC2C,CHEMBL401745,7.72
+CNC1=NC(C)c2cccc(OC(C)C)c2N1,CHEMBL402179,6.01
+CC(C)Oc1cccc2c1NC(N)=NC2C,CHEMBL258075,6.31
+COc1cccc2c1NC(N)=NC2C,CHEMBL408152,6.25
+CNC1=NC(C)c2c(ccc(Cl)c2Cl)N1,CHEMBL271298,7.03
+CC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL273170,7.59
+CCC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL439240,6.81
+CNC1=NC(C)c2c(Cl)cccc2N1,CHEMBL269964,6.63
+CC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270177,6.82
+Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2,CHEMBL403902,5.3
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1,CHEMBL256811,5.3
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1,CHEMBL403764,7.12
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1,CHEMBL404581,6.82
+Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1,CHEMBL404582,5.4
+CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL257944,6.0
+Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1,CHEMBL271111,5.3
+Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1,CHEMBL271318,6.39
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1,CHEMBL271317,6.0
+CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408154,5.99
+CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2,CHEMBL408155,7.0
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1,CHEMBL271212,6.96
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1,CHEMBL271419,6.4
+FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL271418,7.42
+Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL269974,7.82
+Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1,CHEMBL270188,7.7
+Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1,CHEMBL402164,7.3
+N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL255802,6.34
+COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL401509,6.92
+Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL272082,7.64
+Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1,CHEMBL402357,6.7
+CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2,CHEMBL255543,7.1
+CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2,CHEMBL273173,6.52
+CC1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL404511,6.4
+CC1N=C(NCC(F)F)Nc2c(Cl)ccc(Cl)c21,CHEMBL271253,6.17
+COc1c(Cl)ccc2c1C(C)N=C(NCC(F)F)N2,CHEMBL257744,6.63
+CC(C)Oc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL446459,5.67
+COc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL404248,5.78
+C[C@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256047,6.62
+C[C@@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256694,6.92
+CC1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL429136,6.79
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,7.26
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,6.45
+CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c32)o1,CHEMBL273163,7.92
+CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c32)o1,CHEMBL403927,8.57
+CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c32)o1,CHEMBL403926,8.3
+CC(C)c1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL272755,7.7
+CCc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL407909,9.05
+Cc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1,CHEMBL408579,9.7
+COc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL262092,9.29
+CCCc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL404970,7.6
+CCc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL261045,8.6
+Cc1nn(C[C@H](C)N)c2c1ccc1occc12,CHEMBL404969,7.89
+C[C@H](N)Cn1ncc2ccc3ocnc3c21,CHEMBL261046,7.23
+C[C@H](N)Cn1ncc2ccc3occc3c21,CHEMBL261476,9.7
+C[C@H](N)Cn1ncc2ccc3sccc3c21,CHEMBL406851,8.85
+C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c21,CHEMBL264172,8.4
+C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc21,CHEMBL256420,8.12
+COc1ccc2cnn(C[C@H](C)N)c2c1Cl,CHEMBL404065,6.85
+C[C@H](N)Cn1ncc2ccc(F)cc21,CHEMBL256623,7.49
+C[C@H](N)Cn1ncc2cc(F)ccc21,CHEMBL257503,7.37
+c1cc2c3c(ccc2o1)CCNCC3,CHEMBL261489,7.7
+c1cc2ccc3c(c2o1)CCNCC3,CHEMBL261490,7.64
+CNc1ccc2c(c1Cl)CCNCC2,CHEMBL405717,7.34
+COc1ccc2c(c1Cl)CCNCC2,CHEMBL406957,7.7
+Clc1c(Br)ccc2c1CCNCC2,CHEMBL259480,8.62
+Clc1ccc2c(c1Cl)CCNCC2,CHEMBL262862,8.06
+Fc1ccc2c(c1Cl)CCNCC2,CHEMBL429689,7.37
+N#Cc1ccc2c(c1Cl)CCNCC2,CHEMBL406585,8.29
+O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2,CHEMBL405829,7.85
+CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1,CHEMBL407636,7.18
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,6.45
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,5.82
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,6.16
+CN1C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N=C1N,CHEMBL511879,5.68
+CC/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL463250,5.46
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,7.07
+COc1ccccc1S(=O)(=O)n1c2c(c3ccccc31)CCNCC2,CHEMBL479548,7.85
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476935,5.45
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,5.45
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,5.85
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,5.38
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,5.97
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,7.52
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,8.41
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,6.52
+COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1,CHEMBL474473,5.81
+Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL477008,5.55
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O,CHEMBL511609,5.33
+N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O,CHEMBL255898,6.47
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,8.78
+O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3,CHEMBL515624,6.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,5.4
+NCC1c2ccccc2Cc2ccccc21,CHEMBL47482,7.37
+NCC1c2ccccc2Cc2cc(Br)ccc21,CHEMBL85882,8.48
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,7.21
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL445102,5.18
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,5.62
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,5.52
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2oc(-c3ccccc3)cc21,CHEMBL516809,5.48
+O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL523680,6.43
+O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL492689,6.61
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,8.7
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,7.15
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,7.28
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.89
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,6.29
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.3
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,5.03
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1,CHEMBL62919,7.4
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,7.18
+NCC1CC1c1ccccc1Br,CHEMBL492916,6.91
+NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl,CHEMBL451232,6.69
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,6.62
+Cc1cccc([C@H]2C[C@@H]2CN)c1,CHEMBL445747,6.57
+O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2,CHEMBL521805,8.22
+CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL493951,8.15
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1,CHEMBL455039,8.05
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL493950,8.0
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)CC1,CHEMBL492301,7.89
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2F)CC1,CHEMBL523169,7.82
+O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2,CHEMBL492349,7.52
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1,CHEMBL522514,7.29
+CN(CC1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL492556,7.24
+CN(C)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL492949,7.06
+O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCNCC2,CHEMBL522349,6.88
+O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCNCC2,CHEMBL492348,6.81
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCOCC1,CHEMBL492357,6.71
+O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2,CHEMBL511044,6.63
+O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCNCC2,CHEMBL493152,6.42
+CCCNS(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL493151,6.27
+CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL492950,5.92
+Fc1cccc(F)c1-c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCS2,CHEMBL573354,8.28
+CCc1cc2c(ccc3cnn(C[C@@H](C)N)c32)o1,CHEMBL575849,9.05
+C[C@@H]1CN(c2ccc(C(F)(F)F)c3ccoc23)CCN1,CHEMBL573131,8.62
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,CHEMBL572708,6.3
+O=c1ccc(N2CCNCC2)nn1CCOc1ccccc1Cl,CHEMBL570937,5.8
+C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1,CHEMBL570023,6.49
+C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O,CHEMBL572252,6.14
+O=c1ccc(N2CCNCC2)nn1CCOc1ccccc1C(F)(F)F,CHEMBL569342,6.37
+C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1,CHEMBL570274,7.05
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL569475,8.8
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL571915,8.52
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1,CHEMBL569510,8.05
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL567877,7.67
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL585312,7.62
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1,CHEMBL567888,7.23
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL571917,7.9
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL568313,7.7
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1,CHEMBL568107,6.67
+CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL568841,8.06
+CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL566593,7.61
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCCN1CCOCC1,CHEMBL572134,6.82
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCSCC1,CHEMBL585924,6.73
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1,CHEMBL569509,7.01
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCNCC1,CHEMBL567245,6.88
+CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL568108,6.99
+CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL584924,6.67
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1,CHEMBL567246,7.18
+COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1,CHEMBL567889,7.53
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1,CHEMBL568104,8.27
+COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1,CHEMBL585140,7.29
+CC1CCCCN1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL569484,7.01
+C[C@H]1CCC[C@@H](C)N1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL569495,6.32
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1,CHEMBL565525,5.96
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCCN1CCCCC1,CHEMBL579234,6.65
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1,CHEMBL565321,7.66
+Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1,CHEMBL566383,5.94
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCCCC1,CHEMBL584069,6.12
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCCC1,CHEMBL567672,6.33
+Cc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)cc1,CHEMBL585899,6.98
+COc1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL569508,6.39
+COc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)cc1,CHEMBL568314,6.41
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCCCC1,CHEMBL565322,8.54
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCCC1,CHEMBL568842,7.72
+CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL568843,7.23
+Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCCC1,CHEMBL567458,5.93
+Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1,CHEMBL569485,6.68
+Cn1nccc1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCCCC1,CHEMBL585142,6.83
+CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C,CHEMBL569067,7.27
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1,CHEMBL569518,7.91
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1,CHEMBL566151,7.96
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1,CHEMBL583624,8.05
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(O)cc2)ccc1OCCN1CCCC1,CHEMBL568109,6.09
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1,CHEMBL569519,6.39
+Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1,CHEMBL576055,7.42
+Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1,CHEMBL585387,5.91
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,7.12
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,8.8
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,8.92
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,9.32
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12,CHEMBL595252,5.62
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,5.97
+Clc1nc(N2CCNCC2)nc2sccc12,CHEMBL596327,9.0
+Clc1cccc(COc2nc(N3CCNCC3)nc3sccc23)c1,CHEMBL595646,8.4
+c1nc(N2CCNCC2)c2ccsc2n1,CHEMBL596108,6.9
+Cc1cc2c(N3CCNCC3)ncnc2o1,CHEMBL596328,6.81
+COc1nc(N2CCNCC2)nc2c1CCCC2,CHEMBL595196,7.64
+Brc1cn2ccnc2c(N2CCNCC2)n1,CHEMBL609595,6.68
+c1ccc2c(c1)sc1c(N3CCNCC3)ncnc12,CHEMBL595866,6.35
+c1cc2sccc2c(N2CCNCC2)n1,CHEMBL608135,7.85
+c1nc(N2CCNCC2)c2sccc2n1,CHEMBL594477,6.95
+c1cc2occc2c(N2CCNCC2)n1,CHEMBL595555,7.66
+CCCn1cnc2c(N3CCNCC3)ncnc21,CHEMBL594489,6.42
+Clc1cccc(COc2nc(N3CCNCC3)nc3ccsc23)c1,CHEMBL594718,7.55
+c1nc(N2CCNCC2)c2cc[nH]c2n1,CHEMBL595554,6.12
+c1cc2c(nc1N1CCNCC1)CCCC2,CHEMBL593547,7.35
+Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21,CHEMBL595194,8.82
+Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21,CHEMBL593545,8.0
+Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21,CHEMBL595195,9.05
+Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21,CHEMBL609306,9.15
+Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21,CHEMBL595553,7.7
+Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1,CHEMBL594469,7.6
+C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2,CHEMBL595645,8.15
+Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21,CHEMBL594717,8.82
+C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2,CHEMBL594251,9.22
+Fc1cccc(O[C@H]2CCc3ccc(N4CCNCC4)nc32)c1,CHEMBL608116,8.52
+O=C1NC2CNCCCN2c2cccc(Cl)c21,CHEMBL590721,5.81
+O=C1NC2CCNCCN2c2cccc(Cl)c21,CHEMBL590483,8.05
+Cc1cccc2c1C(=O)NC1CCNCCN21,CHEMBL590580,8.54
+O=C1NC2CCNCCN2c2ccccc21,CHEMBL590816,7.31
+O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21,CHEMBL590333,6.82
+O=C1NC2CNCCN2c2ccc(Cl)cc21,CHEMBL590482,6.12
+O=C1NC2CNCCN2c2cccc(Cl)c21,CHEMBL605402,6.65
+Cc1cccc2c1N1CCNCC1NC2=O,CHEMBL590332,5.21
+Cc1ccc2c(c1)N1CCNCC1NC2=O,CHEMBL590331,6.32
+Cc1ccc2c(c1)C(=O)NC1CNCCN21,CHEMBL590089,6.0
+O=C1NC2CNCCN2c2ccccc21,CHEMBL590077,5.71
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL591223,8.0
+COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1c(Br)cnn1C,CHEMBL602874,7.8
+COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C,CHEMBL603078,7.5
+COc1ccc(NC(=O)Nc2cccc(F)c2)cc1-c1c(Br)cnn1C,CHEMBL602064,7.4
+COc1ccc(NC(=O)Nc2ccccc2F)cc1-c1c(Br)cnn1C,CHEMBL601097,6.4
+COc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1-c1c(Br)cnn1C,CHEMBL599225,8.4
+COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL599226,7.8
+COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1-c1c(Br)cnn1C,CHEMBL606191,8.4
+COc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1-c1c(Br)cnn1C,CHEMBL599429,6.6
+COc1ccc(NC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)cc1,CHEMBL603609,6.9
+COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1-c1c(Br)cnn1C,CHEMBL596975,6.4
+COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1-c1c(Br)cnn1C,CHEMBL596976,7.6
+COc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1-c1c(Br)cnn1C,CHEMBL608425,7.2
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C(C)C,CHEMBL604586,8.6
+COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C(C)C,CHEMBL606622,8.4
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1O,CHEMBL605636,7.3
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)(F)F,CHEMBL596735,7.8
+CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL599193,8.7
+CC(C)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL599194,8.0
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1,CHEMBL598378,6.8
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1,CHEMBL597151,6.6
+Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ccccc1,CHEMBL597152,6.1
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C,CHEMBL610208,8.0
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C,CHEMBL605001,6.8
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1-c1c(Br)cnn1C,CHEMBL606178,7.6
+COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1-c1c(Br)cnn1C,CHEMBL598171,7.8
+COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,CHEMBL598172,6.88
+COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Cl)cnn1C,CHEMBL598173,6.5
+COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(Cl)cnn1C,CHEMBL603061,7.6
+COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C,CHEMBL597983,6.4
+COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL599828,7.5
+COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C,CHEMBL596753,7.2
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1-c1c(Br)cnn1C,CHEMBL604082,6.9
+COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1c(Br)cnn1C,CHEMBL602873,8.5
+Cc1noc(C)c1COc1cc(F)c(COC(=O)N2[C@@H](C)CNC[C@H]2C)c(F)c1,CHEMBL1091452,7.37
+O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1,CHEMBL1090397,8.4
+C[C@H]1CNC[C@@H](C)N1C(=O)OCc1ccccc1,CHEMBL1090398,7.08
+O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1,CHEMBL1090399,6.49
+O=C(NCc1ccc(OC(F)(F)F)cc1)C1CCNC1,CHEMBL1090400,6.19
+NCc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1,CHEMBL1090720,6.23
+O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1,CHEMBL1092029,8.36
+O=C(NCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN1,CHEMBL1092167,8.1
+O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1,CHEMBL1090757,7.64
+O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1,CHEMBL1091104,7.7
+COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1,CHEMBL1091105,9.05
+CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1,CHEMBL1091106,8.74
+C[C@H]1CC[C@@H](Oc2c(F)cc(CNC(=O)[C@@H]3CCCN3)cc2F)CC1,CHEMBL1093698,7.6
+COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1,CHEMBL1093699,8.77
+CN1CCc2[nH]c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3c2C1,CHEMBL1099284,7.41
+CC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084721,8.15
+O=S(=O)(c1cccc2cccnc12)N1CCC(CCc2ccc(F)cc2F)CC1,CHEMBL1082452,6.74
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1,CHEMBL1082773,7.19
+O=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1,CHEMBL1083415,6.28
+NC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1,CHEMBL1083416,6.9
+NC(=O)c1cccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)c1,CHEMBL1086507,7.68
+NC(=O)c1ccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)cc1,CHEMBL1082467,7.39
+C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084976,7.33
+Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1,CHEMBL1084895,6.65
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCCC1,CHEMBL1085155,5.94
+Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCC(F)(F)C1,CHEMBL1083449,5.03
+Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1,CHEMBL1086075,5.47
+Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1,CHEMBL1086316,5.23
+CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2ccnn2C)CC1,CHEMBL1086555,5.25
+CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1,CHEMBL1085628,5.07
+COc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(N)=O)CC3)c(-c3ccnn3C)c2)c1,CHEMBL1083725,5.23
+COc1cccc(C(=O)Nc2ccc(OCCNCCO)c(-c3ccnn3C)c2)c1,CHEMBL1082474,5.23
+COc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1,CHEMBL1082795,5.63
+CCN1C(=N)N(C)/C(=C/c2c[nH]c3cc(F)ccc23)C1=O,CHEMBL1172812,5.28
+CCN1C(=N)N(C)/C(=C\c2c[nH]c3ccccc23)C1=O,CHEMBL1173408,5.08
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O,CHEMBL404232,4.92
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Cl)c(Cl)cc23)C1=O,CHEMBL1173334,7.34
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Cl)ccc23)C1=O,CHEMBL1173333,6.78
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(F)ccc23)C1=O,CHEMBL1173820,5.67
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O,CHEMBL1170237,5.9
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12,CHEMBL1173525,5.32
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL1173331,5.61
+N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12,CHEMBL1215661,6.19
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)n1,CHEMBL1215727,5.38
+Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3F)CC2)n1,CHEMBL1214659,5.55
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214731,5.67
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccccc3F)CC2)n1,CHEMBL1214733,5.01
+Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1,CHEMBL1214807,5.25
+CO/N=C(/CN1CCN(C(=O)c2nn(C)cc2Br)CC1)c1ccc(F)cc1,CHEMBL1214809,5.07
+Cn1ccc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214810,5.85
+Cc1c(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C,CHEMBL1214878,5.53
+Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br,CHEMBL1214879,5.45
+Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214946,5.85
+O=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1,CHEMBL1214948,5.56
+Cn1cc(C(F)(F)F)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214949,5.41
+Cn1cc(I)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214950,5.41
+Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1-c1ccccc1,CHEMBL1215019,5.43
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,7.7
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222554,7.3
+CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O,CHEMBL1222624,6.8
+C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222625,6.3
+Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222693,7.2
+Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2,CHEMBL1222694,7.5
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O,CHEMBL1222695,6.3
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O,CHEMBL1222762,6.9
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O,CHEMBL1222763,6.5
+COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222764,6.3
+O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21,CHEMBL1224031,5.29
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,7.07
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.16
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,5.08
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,7.22
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,6.96
+NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259172,7.66
+CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259187,7.96
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,9.24
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,8.54
+CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259173,8.51
+CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259174,7.59
+CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259189,8.1
+CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259190,7.03
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1,CHEMBL1277917,5.51
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,5.44
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277837,5.97
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1275630,5.73
+O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12,CHEMBL1278001,5.97
+O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277312,7.5
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277126,6.0
+O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277035,6.6
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276948,8.2
+O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,CHEMBL1276947,7.2
+O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276859,7.7
+CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278202,7.7
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278201,7.8
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1,CHEMBL1278113,6.7
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1,CHEMBL1278112,6.5
+O=C(O)C1(F)CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278019,5.8
+O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277584,7.5
+O=C(O)C1(F)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277678,6.0
+O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277679,6.9
+CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277769,7.8
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277770,7.2
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277854,6.7
+O=C(O)C1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1,CHEMBL1277855,6.5
+COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278020,6.8
+O=C(O)CCNC1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278114,7.0
+CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278116,8.1
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.89
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,6.1
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,6.1
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,6.0
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,5.8
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,5.7
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,5.5
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,5.61
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,5.75
+NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642865,6.24
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.53
+Clc1cccc(Cc2ncc3c(n2)CCNCC3)c1,CHEMBL1770382,7.08
+c1ccc(Cc2ncc3c(n2)CCNCC3)cc1,CHEMBL1770373,6.8
+Cc1cccc(Cc2ncc3c(n2)CCNCC3)c1,CHEMBL1770379,6.61
+Cc1ccccc1Cc1ncc2c(n1)CCNCC2,CHEMBL1770378,6.52
+FC(F)(F)c1cccc(Cc2ncc3c(n2)CCNCC3)c1,CHEMBL1770385,6.51
+Fc1ccc(Cc2ncc3c(n2)CCNCC3)cc1,CHEMBL1770377,6.33
+Clc1ccccc1Cc1ncc2c(n1)CCNCC2,CHEMBL1770381,5.73
+NCCc1cccc(Sc2ccccc2)c1,CHEMBL211688,6.82
+c1ccc(Sc2cccc(N3CCNCC3)c2)cc1,CHEMBL1782355,7.04
+COc1ccc(Sc2cccc(N3CCNCC3)c2)cc1,CHEMBL1782356,7.13
+Cc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782357,7.31
+Cc1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782358,7.11
+Cc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782359,7.17
+COc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782360,7.39
+COc1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782361,6.92
+COc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782362,7.24
+Fc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782363,7.31
+Fc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782364,7.21
+FC(F)(F)c1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782365,7.08
+FC(F)(F)c1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782366,6.74
+FC(F)(F)c1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782367,6.55
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.27
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL517712,6.28
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.34
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,6.56
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,6.97
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.49
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,7.03
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,8.7
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.87
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.67
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,7.11
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.5
+CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CHEMBL311469,5.95
+CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O,CHEMBL1629810,6.08
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,5.11
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,5.91
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,5.87
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.91
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.2
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.62
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,6.97
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,7.26
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,7.175
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,6.12
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.45
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,7.96
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,7.46
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,7.54
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.62
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,7.22
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,6.17
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,5.91
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.29
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.62
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.28
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,6.49
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.4
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,6.55
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,6.61
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.27
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,6.81
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,6.9
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.12
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,7.33
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.8
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,4.57
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.18
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.74
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.16
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.55
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.52
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,5.77
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.28
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,8.19
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,6.7
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,6.7
+c1ccc2c(c1)Nc1ccccc1S2,CHEMBL828,5.93
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,6.23
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.96
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,6.68
+CC(C)c1cccc(C(C)C)c1O,CHEMBL526,5.22
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,8.09
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,5.92
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],CHEMBL193,5.02
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.39
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,5.73
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,7.39
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,5.9
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.56
+O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,CHEMBL98350,6.28
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.41
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,7.74
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,6.68
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,8.18
+Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,CHEMBL1475,5.91
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.4
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,7.33
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.81
+CCCCNc1ccc(C(=O)OCCN(C)C)cc1,CHEMBL698,5.77
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,CHEMBL1630578,6.42
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.64
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.62
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.84
+COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12,CHEMBL115769,6.19
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.25
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.44
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.19
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.21
+COc1ccc2cccc(CCNC(C)=O)c2c1,CHEMBL10878,6.175
+COc1ccc2cc(CC3CC3)cc(CCNC(C)=O)c2c1,CHEMBL342432,6.41
+C=Cc1cc(CCNC(C)=O)c2cc(OC)ccc2c1,CHEMBL1946233,6.0
+C=CCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1,CHEMBL1946234,6.84
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,5.61
+O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1,CHEMBL1946124,5.42
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,5.6
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,5.39
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,5.85
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,5.23
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1,CHEMBL1946745,5.34
+COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949930,4.72
+N#Cc1cn2cccc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)c2n1,CHEMBL1957819,5.16
+O=C(c1cnn2c1CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957809,5.54
+O=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957806,5.87
+Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957815,6.0
+O=C(c1cnn2cccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957807,6.04
+O=C(c1cnc2ccccn12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957814,6.13
+O=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957808,6.14
+O=C(c1cccn2cc(Br)nc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957817,6.17
+O=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957810,6.22
+O=C(c1nc2ccccn2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957811,6.24
+O=C(c1cnn2cc(Cl)ccc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957804,6.24
+O=C(c1cccn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957816,6.28
+O=C(c1nn2ccccc2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957801,6.3
+O=C(c1cc(Br)cn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957820,6.32
+O=C(c1cc2ccccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957800,6.33
+O=C(c1nn2ccccc2c1Cl)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957802,6.4
+O=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957818,6.41
+O=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957803,6.61
+O=C(c1cccc2ccnn12)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957805,6.71
+Nc1cccn2cc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)nc12,CHEMBL1957813,6.72
+Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL1957821,6.82
+Nc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12,CHEMBL1957812,6.82
+Cc1cccc(C2CCNCC2)c1,CHEMBL2011548,5.5
+Cc1ccccc1C1CCNCC1,CHEMBL2011549,5.5
+COc1cccc(C2CCNCC2)c1,CHEMBL2011550,5.21
+COc1ccccc1C1CCNCC1,CHEMBL2011551,5.74
+FC(F)(F)c1ccc(C2CCNCC2)cc1,CHEMBL2011552,5.08
+FC(F)(F)c1cccc(C2CCNCC2)c1,CHEMBL2011553,5.81
+FC(F)(F)c1ccccc1C1CCNCC1,CHEMBL2011554,6.08
+Clc1cccc(C2CCNCC2)c1,CHEMBL2011556,5.935
+Cc1cccc(C2CCNCC2)c1C,CHEMBL2011560,5.94
+c1ccc2c(C3CCNCC3)cccc2c1,CHEMBL2011562,7.18
+c1cc2c(c(C3CCNCC3)c1)CCCC2,CHEMBL2011563,7.315
+c1ccc2c(C3CCNCC3)c[nH]c2c1,CHEMBL2011564,6.325
+C1=C(c2ccccc2)CCNC1,CHEMBL1901802,5.14
+FC(F)(F)c1cccc(C2=CCNCC2)c1,CHEMBL2011565,6.485
+Clc1ccc(C2=CCNCC2)cc1,CHEMBL2011566,5.51
+Clc1cccc(C2=CCNCC2)c1,CHEMBL2011567,6.525
+Brc1ccc(C2=CCNCC2)cc1,CHEMBL2011569,5.6
+C1=C(c2c[nH]c3ccccc23)CCNC1,CHEMBL2011570,6.365
+C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21,CHEMBL2032049,5.95
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,5.33
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,5.21
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,5.2
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,5.67
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,5.43
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.38
+Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl,CHEMBL2165137,9.22
+O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL2165126,9.22
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.65
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,5.51
+CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1,CHEMBL2181171,5.55
+CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1,CHEMBL2181189,5.98
+CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1,CHEMBL2181169,6.11
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,6.14
+CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1,CHEMBL2181170,6.31
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.4
+CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1,CHEMBL2181168,6.47
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,6.74
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.35
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.85
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.08
+CC(Oc1cncc(N2CCNCC2)n1)c1cccc(F)c1,CHEMBL2260566,8.1
+c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1,CHEMBL2298806,7.19
+O=C1N[C@H]2CNC[C@@H]2c2ccccc21,CHEMBL2337495,5.97
+O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337491,5.98
+CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337498,6.25
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O,CHEMBL2337502,6.41
+Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337496,6.6
+O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337489,6.72
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21,CHEMBL2337488,6.82
+Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337104,7.06
+Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337503,7.07
+Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337105,7.08
+O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21,CHEMBL2337493,7.14
+CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337499,7.26
+CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337504,7.34
+CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21,CHEMBL2337492,7.34
+CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O,CHEMBL2337497,7.36
+CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337106,7.47
+O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21,CHEMBL2337500,7.89
+O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21,CHEMBL2337490,7.985
+Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337501,8.31
+Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21,CHEMBL2337494,8.41
+c1ccc(COc2noc3c2CCNCC3)cc1,CHEMBL2331794,5.92
+O=c1c2c(on1Cc1ccccc1)CCNCC2,CHEMBL2331807,5.64
+Clc1cncc(N2CCNCC2)n1,CHEMBL269521,5.47
+O=c1c2c(on1Cc1ccc(I)cc1)CCNCC2,CHEMBL2331788,6.51
+O=c1c2c(on1Cc1cccc(I)c1)CCNCC2,CHEMBL2331789,5.32
+O=c1c2c(on1Cc1ccccc1I)CCNCC2,CHEMBL2331790,5.14
+CCOc1noc2c1CCNCC2,CHEMBL2331793,4.0
+CCCn1oc2c(c1=O)CCNCC2,CHEMBL2331806,4.0
+CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1,CHEMBL1201756,8.605
+OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL18972,5.0
+Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL2333732,4.91
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL597601,5.065
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.78
+O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3,CHEMBL2397914,7.59
+COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397913,6.63
+COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397912,7.28
+CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397911,7.01
+Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397910,7.62
+CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397909,7.11
+CCOc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397908,7.72
+COc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397907,7.11
+O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12,CHEMBL2397906,5.85
+CCc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397905,6.57
+Cc1cccc2c1C[C@@H]1CNCCN1C2=O,CHEMBL2397904,6.94
+N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397903,5.23
+COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397902,6.59
+O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12,CHEMBL2397901,6.63
+O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12,CHEMBL2397900,6.34
+CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397899,7.11
+CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397898,7.25
+Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O,CHEMBL2397880,6.84
+N#Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397879,5.75
+COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397878,7.43
+O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12,CHEMBL2397877,7.52
+O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12,CHEMBL2397915,7.41
+CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397897,7.48
+Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2,CHEMBL2397896,7.04
+N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397895,5.78
+COc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397894,6.69
+O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12,CHEMBL2397893,7.24
+O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12,CHEMBL2397892,7.48
+O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12,CHEMBL2397891,7.1
+CCc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397890,8.1
+Cc1cccc2c1C(=O)N1CCNC[C@H]1C2,CHEMBL2397889,8.05
+C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12,CHEMBL2397888,6.5
+C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397887,7.24
+C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12,CHEMBL2397886,5.56
+C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1,CHEMBL2397885,6.4
+C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1,CHEMBL2396668,5.7
+CN1CCN2C(=O)c3ccccc3C[C@@H]2C1,CHEMBL2397884,6.23
+C[C@@]12CNCCN1C(=O)c1ccccc1C2,CHEMBL2397883,5.46
+O=C1c2ccccc2C[C@@H]2CNCCN12,CHEMBL2397881,7.62
+O=C1c2ccccc2C[C@H]2CNCCN12,CHEMBL2397882,5.75
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.03
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,5.51
+O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL241115,5.66
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,6.41
+Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414358,5.11
+Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414357,5.23
+Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414356,5.29
+Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414355,5.55
+Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414354,5.09
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,6.195
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL512332,5.0
+CNC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C,CHEMBL2442269,5.0
+CNC1=N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C,CHEMBL2442268,5.0
+CNC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C,CHEMBL2442265,5.0
+CN1C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N=C1N,CHEMBL2442277,5.0
+CN1C(=O)/C(=C\c2c[nH]c3ccccc23)N=C1N,CHEMBL513803,5.0
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058429,5.19
+CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1,CHEMBL2058700,5.36
+O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12,CHEMBL2058695,5.36
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12,CHEMBL2058409,5.38
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12,CHEMBL2058408,5.41
+CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O,CHEMBL2058420,5.52
+CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O,CHEMBL2058419,5.56
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058427,5.61
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL508657,5.63
+CNC1=N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C,CHEMBL2442266,5.63
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C,CHEMBL2058417,5.64
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058418,5.66
+CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1,CHEMBL2058699,5.68
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058407,5.7
+O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058694,5.73
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,5.73
+CN1C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N=C1N,CHEMBL2442275,5.77
+CNC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C,CHEMBL2442267,5.87
+CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N=C1N,CHEMBL2442276,5.9
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C,CHEMBL2058428,5.91
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058416,5.97
+CNC1=N/C(=C\c2c[nH]c3cc(Br)ccc23)C(=O)N1,CHEMBL2058705,6.01
+CNC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1,CHEMBL2058702,6.01
+CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1,CHEMBL2058698,6.05
+NC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2442274,6.08
+CNC1=N/C(=C\c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2058706,6.17
+NC1=N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2442271,6.22
+CNC1=N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2058704,6.37
+NC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1,CHEMBL2442270,6.46
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,6.49
+NC1=N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1,CHEMBL2442273,6.7
+CNC1=N/C(=C\c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2058703,7.1
+NC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2442272,7.46
+Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,CHEMBL2441619,6.02
+Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12,CHEMBL3093187,6.01
+NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL3092753,6.7
+CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,CHEMBL294951,8.85
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.99
+c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2,CHEMBL2110670,8.52
+c1cc2c3c(c1)[C@H]1CCC[C@H]1N3CCNC2,CHEMBL1628670,8.0
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,8.1
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,7.0
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,6.9
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,6.76
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233143,6.55
+CCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233144,6.54
+CC(C)N1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233145,6.3
+CCCCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233146,6.62
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3Cc1ccccc1)c1ccc(F)cc1,CHEMBL3233147,6.41
+CN1CCN2c3c(cc(Br)cc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233148,6.24
+COc1cc2c3c(c1)N(C)CCN3[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)C[C@@H]21,CHEMBL3233149,5.96
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccccc3)CC[C@@H]12,CHEMBL3233406,7.05
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccncc3)CC[C@@H]12,CHEMBL3233407,5.96
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCOc3ccc(F)cc3)CC[C@@H]12,CHEMBL3233409,6.59
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12,CHEMBL3233411,6.54
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233412,6.52
+CN1CCN2c3c(cccc31)[C@@H]1CN(CC3CC(c4ccc(F)cc4)=NO3)CC[C@@H]12,CHEMBL3233414,5.48
+CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233419,6.27
+O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233422,6.15
+CN1CCN2c3c(cccc31)[C@@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233423,6.3
+CN1CCN2c3c(cccc31)[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233424,5.89
+CC1CN(C)c2cccc3c2N1[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]31,CHEMBL3233425,6.55
+CN1CC(C)(C)N2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233426,6.06
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,7.08
+O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233428,6.96
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1,CHEMBL3233429,6.29
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3)c1ccc(F)cc1,CHEMBL3233430,6.71
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3)c1ccc(F)cc1,CHEMBL3233431,6.82
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,6.28
+O=C(CCCN1CC[C@H]2c3cccc4c3N(CCO4)[C@H]2CC1)c1ccc(F)cc1,CHEMBL3233433,6.19
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,6.12
+Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1,CHEMBL3260335,5.96
+FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1,CHEMBL3260336,7.42
+C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1,CHEMBL3260337,5.3
+Nc1nc(Cc2ccccc2)nc2c1CCNCC2,CHEMBL3286559,6.02
+COc1nc(Cc2ccccc2)nc2c1CCNCC2,CHEMBL3286560,7.44
+CNc1nc(Cc2ccccc2)nc2c1CCNCC2,CHEMBL3286561,7.51
+CCNc1nc(Cc2ccccc2)nc2c1CCNCC2,CHEMBL3286562,7.54
+CN(C)c1nc(Cc2ccccc2)nc2c1CCNCC2,CHEMBL3286563,6.63
+c1ccc(Cc2nc3c(c(N4CCOCC4)n2)CCNCC3)cc1,CHEMBL3286564,7.7
+CNc1nc(C(C)c2ccccc2)nc2c1CCNCC2,CHEMBL3286565,7.47
+CNc1nc(C(C)(C)c2ccccc2)nc2c1CCNCC2,CHEMBL3286566,7.3
+CNc1nc(C2(c3ccccc3)CC2)nc2c1CCNCC2,CHEMBL3286554,6.99
+CNc1nc(Cc2ccccc2)nc2c1CCNC[C@H]2C,CHEMBL3286555,7.1
+CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C,CHEMBL3286556,7.82
+CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2,CHEMBL3286557,8.1
+O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286581,6.55
+Cc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286399,6.33
+Cc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)c1,CHEMBL3286582,6.34
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)cc1,CHEMBL3286583,6.11
+O=S(=O)(c1ccccc1F)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286584,6.46
+O=S(=O)(c1cccc(F)c1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286585,6.62
+O=S(=O)(c1ccc(F)cc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286586,5.96
+O=S(=O)(c1ccccc1Cl)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286587,6.34
+O=S(=O)(C1=CC=C=C=C1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286588,6.47
+O=S(=O)(c1ccc(Cl)cc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286589,5.92
+COc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286590,6.06
+COc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)c1,CHEMBL3286591,6.43
+COc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)cc1,CHEMBL3286592,5.54
+Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1,CHEMBL3286580,6.6
+CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1,CHEMBL46071,5.69
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,6.27
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C,CHEMBL3358493,7.77
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL3358492,6.76
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)n1,CHEMBL3358107,7.21
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,CHEMBL3358105,7.1
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1,CHEMBL3358104,7.66
+COc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1,CHEMBL3358103,6.22
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1,CHEMBL3358102,6.51
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,6.69
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358100,6.77
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358099,6.72
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358098,5.87
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)n1,CHEMBL3358495,7.24
+O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1cc2ccccc2cn1,CHEMBL3358497,6.32
+O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1,CHEMBL3358498,6.64
+O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358499,6.52
+O=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358500,6.4
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL3358501,6.32
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358502,7.13
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358503,6.81
+Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358506,6.35
+Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358508,7.13
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1,CHEMBL3358512,8.22
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358517,7.37
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2,CHEMBL3343670,6.82
+CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310123,6.41
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,7.59
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,7.15
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1,CHEMBL3402679,6.37
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1,CHEMBL127307,7.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1,CHEMBL3402678,6.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1,CHEMBL3402677,7.37
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1,CHEMBL3402676,6.77
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1,CHEMBL3402675,8.1
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1,CHEMBL3402674,6.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1,CHEMBL3402673,8.4
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402672,6.64
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402671,8.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402670,6.92
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402669,8.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1,CHEMBL3402668,7.12
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1,CHEMBL3402667,7.17
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1,CHEMBL3402666,7.26
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1,CHEMBL3402665,6.92
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1,CHEMBL3402664,7.15
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1,CHEMBL3402663,7.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402662,6.66
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402661,6.28
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1,CHEMBL3402660,6.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1,CHEMBL3402659,7.11
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1,CHEMBL3402658,7.15
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1,CHEMBL3402657,7.52
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1,CHEMBL3402656,8.15
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1,CHEMBL3402655,6.1
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1,CHEMBL3402680,7.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402681,6.0
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402682,8.3
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1,CHEMBL3402683,7.3
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1,CHEMBL3402684,6.54
+Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21,CHEMBL3402685,5.7
+Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21,CHEMBL3402686,5.8
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,5.27
+c1ccc(CNc2nc(Cc3ccccc3)cc3c2CCNCC3)cc1,CHEMBL3425761,7.66
+c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1,CHEMBL3425758,9.3
+CC(C)CNc1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425757,7.92
+CCNc1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425756,8.52
+CNc1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425755,8.52
+CCCNc1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425759,8.4
+CC(C)Nc1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425760,7.89
+CN(C)c1nc(Cc2ccccc2)cc2c1CCNCC2,CHEMBL3425762,7.92
+c1ccc(Cc2cc3c(cn2)CCNCC3)cc1,CHEMBL3425763,7.46
+COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br,CHEMBL3589579,8.6
+COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br,CHEMBL3589580,8.11
+COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br,CHEMBL3589581,7.49
+COc1cc(CCNCc2cccc3c2OCC3)c(OC)cc1Br,CHEMBL3589582,8.47
+COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br,CHEMBL3589583,8.03
+COc1cc(CCNCc2cccc3c[nH]nc23)c(OC)cc1Br,CHEMBL3589584,7.62
+COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br,CHEMBL3589585,7.18
+COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br,CHEMBL3589586,6.92
+COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br,CHEMBL3589587,7.15
+COc1cc(CCNCc2ccccn2)c(OC)cc1Br,CHEMBL3589588,7.38
+COc1cc(CCNCc2cccnc2)c(OC)cc1Br,CHEMBL3589589,6.92
+COc1cc(CCNCc2ccncc2)c(OC)cc1Br,CHEMBL3589590,6.81
+COc1cc(CCNCc2cccc(OC)c2OC)c(OC)cc1Br,CHEMBL3589591,7.63
+COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1,CHEMBL3589592,7.57
+COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1,CHEMBL3589593,7.11
+COc1cc(CCNCc2c(OC)cccc2OC)c(OC)cc1Br,CHEMBL3589594,7.76
+COc1cc(CCNCc2cccc(OC)c2F)c(OC)cc1Br,CHEMBL3589595,7.25
+COc1cc(CCNCc2cccc(OC)c2O)c(OC)cc1Br,CHEMBL3589596,8.2
+COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1,CHEMBL3589597,8.33
+COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br,CHEMBL3589598,7.68
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627305,7.07
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2[nH]1,CHEMBL3597643,7.14
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,6.0
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597649,5.74
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597635,8.42
+O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597636,7.36
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597637,7.85
+COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC,CHEMBL3735862,5.96
+COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736252,6.16
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.4
+COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2,CHEMBL3736149,6.91
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735911,6.97
+COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1,CHEMBL3736207,6.69
+COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1,CHEMBL3735434,6.56
+COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735261,6.71
+COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1,CHEMBL3734894,6.99
+COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC,CHEMBL3736516,6.62
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL267777,8.74
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,8.1
+COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1,CHEMBL3759802,6.85
+CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc32)o1,CHEMBL3759677,6.14
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,5.82
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,5.93
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,6.23
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,5.86
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,6.58
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,6.07
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,5.92
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,6.81
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,5.72
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,7.555
+COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814737,6.9
+COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814708,6.63
+COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814485,6.66
+COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813789,6.65
+COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815000,6.78
+COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814821,6.69
+COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815066,6.84
+COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3814559,6.81
+COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3815112,7.1
+COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813796,7.04
+COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813726,6.91
+COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3813855,7.17
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,6.21
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,5.34
diff --git a/chembl_200/CHEMBL226.csv b/chembl_200/CHEMBL226.csv
new file mode 100644
index 0000000000000000000000000000000000000000..a0d099485a7f0254aa2c123f7daecea9fe152f14
--- /dev/null
+++ b/chembl_200/CHEMBL226.csv
@@ -0,0 +1,3323 @@
+CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12,CHEMBL81616,7.92
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2c1C,CHEMBL312503,6.11
+Cc1[nH]c2nc(-c3ccccc3)nc(NCCN3CCNC3=O)c2c1C,CHEMBL82197,6.84
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](CO)CC(C)C)c2c1C,CHEMBL78659,6.02
+Cc1[nH]c2nc(-c3ccccc3)nc(NCc3ccncc3)c2c1C,CHEMBL81863,6.88
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](C)c3ccccc3)c2c1C,CHEMBL81336,6.01
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)c2c1C,CHEMBL78595,7.6
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C,CHEMBL441806,6.05
+O=C(N/N=N/c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113457,8.55
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL350042,6.52
+CC(=O)Nc1ccc(-c2cc(=O)c3ccc(C)nc3[nH]2)cc1,CHEMBL104998,5.77
+CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL113512,6.49
+C=CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL114832,7.38
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccc(OC)cc2)c1=O,CHEMBL326757,7.08
+CCCn1c(=O)c2c(nc3ccccn32)n(C)c1=O,CHEMBL112194,5.68
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL322250,7.3
+CC(C)Cn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL323717,7.55
+CCCn1c(=O)c2c(nc3cc(C(C)(C)C)ccn32)n(Cc2ccccc2)c1=O,CHEMBL112098,5.84
+CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O,CHEMBL113634,6.75
+C#CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL326319,6.91
+Cc1c(O)c2[nH]c(CCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL328993,5.21
+CCCc1c(O)c2[nH]c(CCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL94450,6.09
+CCCc1c(O)c2[nH]c(CN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL94419,5.64
+CCCc1c(O)c2[nH]c(CCCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL92079,6.42
+CCCc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL95071,5.04
+CCCc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL328342,6.33
+Cc1c(O)c2[nH]c(CCCN3N=CCCC3=O)nc2n(C)c1=O,CHEMBL94344,4.9
+CCCc1c(O)c2[nH]c(CCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL93615,6.12
+CCCc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL93501,5.92
+CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL94548,6.72
+Cc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL330532,6.43
+Cc1c(O)c2[nH]c(CN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL97710,4.27
+Cc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL94425,4.83
+Cc1c(O)c2[nH]c(CCCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL94531,5.67
+Cc1c(O)c2[nH]c(CCN3N=CCCC3=O)nc2n(C)c1=O,CHEMBL96538,4.89
+Cc1c(O)c2[nH]c(CCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O,CHEMBL316478,4.97
+Cc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O,CHEMBL330275,5.06
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611562,5.2
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611561,5.46
+CCCn1c(=O)c2[nH]c(C3CCCC(NC(C)=O)C3)nc2n(CCC)c1=O,CHEMBL300983,7.39
+CCCn1c(=O)c2[nH]c(NC3CCCCC3)nc2n(CCC)c1=O,CHEMBL59529,7.85
+CCCn1c(=O)c2[nH]c(CC3CCCC3)nc2n(CCC)c1=O,CHEMBL157833,7.16
+CCCn1c(=O)c2[nH]c(N3CCCCC3)nc2n(CCC)c1=O,CHEMBL55883,7.66
+CCCn1c(=O)c2[nH]c(C3CC3)nc2n(CCC)c1=O,CHEMBL53737,7.38
+CCCn1c(=O)c2[nH]c(C3CCC3C(=O)O)nc2n(CCC)c1=O,CHEMBL58380,6.18
+CCCn1c(=O)c2[nH]c(NC3CCCC3)nc2n(CCC)c1=O,CHEMBL53453,8.1
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCC)c1=O,CHEMBL418101,7.09
+CCCn1c(=O)c2[nH]c(N3CCCC3)nc2n(CCC)c1=O,CHEMBL417770,7.12
+CCCn1c(=O)c2[nH]c(C3CCCC(N)C3)nc2n(CCC)c1=O,CHEMBL56673,7.3
+CCCn1c(=O)c2[nH]c(C3CCC(N)CC3)nc2n(CCC)c1=O,CHEMBL58879,6.925
+CCCn1c(=O)c2[nH]c(C3CCCC3C(=O)O)nc2n(CCC)c1=O,CHEMBL292382,6.925
+CCCn1c(=O)c2[nH]c(C3CCC(CN)CC3)nc2n(CCC)c1=O,CHEMBL56409,7.7
+CCCNC(=O)C1CCC(c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)CC1,CHEMBL292661,7.07
+CCCn1c(=O)c2[nH]c(C3CCC(C(=O)OC)CC3)nc2n(CCC)c1=O,CHEMBL299699,6.89
+CCCn1c(=O)c2[nH]c(C3CC3C)nc2n(CCC)c1=O,CHEMBL57554,7.96
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](CNC(C)=O)CC3)nc2n(CCC)c1=O,CHEMBL134837,8.1
+CCCn1c(=O)c2[nH]c(NC3CCC3)nc2n(CCC)c1=O,CHEMBL300334,8.59
+CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCC)c1=O,CHEMBL160369,8.6
+Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL49925,6.89
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21,CHEMBL296389,7.57
+Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL50051,7.6
+Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL301512,7.72
+CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC,CHEMBL51192,7.54
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL48153,7.85
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21,CHEMBL300624,7.52
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21,CHEMBL297685,7.7
+CNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL261453,8.02
+CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL258535,8.47
+CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL574597,5.77
+Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092941,9.17
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL437842,6.86
+CCNc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607759,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2094083,8.57
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL258534,8.72
+CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092787,8.82
+Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL262363,9.17
+CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092786,8.08
+CNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410115,8.15
+CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092788,8.57
+CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL438418,8.96
+Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL408918,9.36
+CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410095,8.66
+CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL260563,6.49
+CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL3350613,7.22
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL224874,8.68
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223270,6.25
+Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375190,6.41
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL319387,7.74
+CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL261623,7.37
+CC(C)Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113551,6.37
+CC(C)Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL259938,8.77
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO)c1=O,CHEMBL413079,5.6
+O=c1cc(-c2ccccc2)[nH]c2nc(F)ccc12,CHEMBL97757,5.85
+Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17127,6.306
+Cc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2n1,CHEMBL321769,5.66
+CCOc1ccc2c(=O)cc(-c3ccccc3)n(CC)c2n1,CHEMBL102753,6.03
+Cc1ccc2c(=S)cc(-c3ccccc3)[nH]c2n1,CHEMBL329293,5.7
+O=c1cc(-c2ccccc2)[nH]c2nc(N3CCCCC3)ccc12,CHEMBL102178,5.12
+CSc1cc(-c2ccccc2)nc2nc(C)ccc12,CHEMBL105000,5.0
+Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2n1,CHEMBL316630,5.51
+Cc1ccc2c(=O)cc(-c3ccccc3F)[nH]c2n1,CHEMBL95384,6.31
+Nc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL102430,5.47
+CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL121793,6.49
+COc1ccc(-n2nc3c(N)nc4c(N)cccc4n3c2=O)cc1,CHEMBL116827,6.73
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL421420,6.06
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL332969,6.77
+COc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1,CHEMBL122396,8.15
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1,CHEMBL124345,8.62
+COc1cccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)c1,CHEMBL125979,8.7
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1,CHEMBL122806,8.36
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1,CHEMBL122622,8.59
+Cn1cnc2c(NC3CCCC3)ncnc21,CHEMBL48278,5.95
+C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1NC(=O)CCCc1cccs1,CHEMBL296399,6.38
+Cc1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1C,CHEMBL52648,6.86
+O=C(CCCc1cccs1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL54334,6.2
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc(F)c(Cl)c1,CHEMBL293371,6.24
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc2c(c1)OCO2,CHEMBL294675,6.35
+C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1NC(=O)C1CCCC[C@H]1C(=O)c1cccs1,CHEMBL53795,6.01
+Cc1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1F,CHEMBL55099,6.11
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL289903,7.19
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(F)c(F)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32950,5.72
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)nc2n(CCC)c1=O,CHEMBL432273,5.76
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(C)CC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32118,6.0
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccccc4)nn3C)nc2n(CCC)c1=O,CHEMBL32481,6.05
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL32281,7.26
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4cccc(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL290105,5.7
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)nc2n(CC(C)C)c1=O,CHEMBL33591,7.14
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL287529,6.82
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)nc2n(CCC)c1=O,CHEMBL32598,7.19
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32478,6.13
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)nc2n(CC(C)C)c1=O,CHEMBL32534,5.61
+CCCn1c(=O)c2[nH]c(-c3cc(N)n(C)n3)nc2n(CCC)c1=O,CHEMBL33709,6.85
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Nc4cccc(OC)c4)cc3)nc2n(CCC)c1=O,CHEMBL32581,5.93
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)nc2n(CC(C)C)c1=O,CHEMBL32697,6.33
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32225,6.28
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL2112067,6.77
+CCCn1c(=O)c2[nH]c(-c3cc(N)nn3C)nc2n(CCC)c1=O,CHEMBL33602,6.7
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32770,5.49
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(c5ccccc5)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL33455,6.595
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)nc2n(CCC)c1=O,CHEMBL32591,6.25
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL2112066,6.74
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL34097,6.79
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4cccc(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32552,6.35
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL33695,7.1
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)nc2n(CCC)c1=O,CHEMBL260331,6.687
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32802,6.52
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CC(C)C)c1=O,CHEMBL33653,7.31
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL32388,6.09
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nc2n(CCC)c1=O,CHEMBL32751,5.87
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)c(C)c4)nn3C)nc2n(CCC)c1=O,CHEMBL33491,6.15
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32425,5.35
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32150,6.07
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4ccc(OC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL286102,5.84
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccncc4)nn3C)nc2n(CCC)c1=O,CHEMBL286420,6.02
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)CCCN)nn3C)nc2n(CCC)c1=O,CHEMBL555577,6.26
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL286212,7.0
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4ccc(N(C)C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32311,5.62
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32289,6.7
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32229,7.25
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200732,6.71
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL203357,7.05
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL201706,5.88
+COc1cccc(-c2nnc(Cc3ccc4ccccc4c3)[nH]2)c1,CHEMBL167343,5.6
+Cn1nc(-c2ccc([N-][N+]#N)cc2)nc1-c1cccc(CN2CC=CC2)c1,CHEMBL167977,5.14
+COc1cccc(-c2nnc(Cc3ccc(C)c(C)c3)[nH]2)c1,CHEMBL165760,5.77
+COc1cccc(-c2nnc(Cc3cccc(F)c3F)[nH]2)c1,CHEMBL166500,6.05
+COc1cccc(-c2nnc(Cc3cccc(Br)c3)[nH]2)c1,CHEMBL168892,7.0
+COc1cccc(-c2nnc(CCc3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL168912,5.74
+COc1cccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL354321,5.72
+COc1cccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL353602,5.21
+c1cc(CN2CCCC2)cc(-c2nnc(-c3ccc4c(c3)OCCO4)[nH]2)c1,CHEMBL424011,5.12
+CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL65271,5.99
+CCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL302765,5.93
+Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL16687,8.355
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O,CHEMBL273807,6.428
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OCO3)c2nc(-c3ccco3)nn12,CHEMBL307748,5.66
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1OC,CHEMBL69794,5.78
+Nc1nc(NC(=O)CCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36786,6.6
+CCNc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36160,6.68
+Nc1nc(NC(=O)C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL288258,5.79
+Nc1nc(NC(=O)CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL289982,6.36
+Nc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36789,6.47
+O=C(CCc1ccccc1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL279391,7.68
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC(=O)CCC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL36734,5.26
+Nc1nc(NC(=O)/C=C/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285251,7.15
+Nc1nc(NC(=O)CCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36320,6.13
+O=C(CCC1CCCC1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL36098,7.5
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL137950,6.6
+CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL141154,6.6
+CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL138332,7.52
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL16867,9.0
+Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL423542,8.52
+COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL422820,6.7
+CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL137879,8.3
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,8.0
+COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL139182,6.6
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL342906,5.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,6.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,6.47
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,6.76
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,5.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,7.13
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,7.21
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275360,6.79
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,6.98
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,6.63
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,6.85
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL16677,7.395
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,7.745
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCCCC2)c(=O)n3CC2CCCCC2)cc1,CHEMBL17103,5.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,7.24
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O,CHEMBL273094,8.08
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275427,7.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,6.53
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,5.52
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,7.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16931,6.79
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,6.83
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,6.16
+COc1ccc(Nc2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)cc1,CHEMBL20681,6.59
+CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL439447,6.11
+CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL280888,8.05
+COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL283319,6.5
+COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL22113,7.15
+CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL20888,7.345
+COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL21910,7.1
+Cn1nc2nc(N)n3nc(-c4ccco4)nc3c2c1Nc1ccc(O)cc1,CHEMBL283572,6.18
+CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL554955,6.91
+CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1,CHEMBL21541,7.42
+CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL21572,7.15
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1,CHEMBL20445,6.76
+Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccccc3)nn12,CHEMBL280411,6.63
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL281129,8.08
+CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL22085,6.87
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL329791,5.96
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL330286,6.53
+CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2O1,CHEMBL279062,5.75
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)c2nc(-c3ccco3)nn12,CHEMBL278996,5.025
+Nc1nc2c(cnn2CCCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL278605,6.86
+CN1CCN(S(=O)(=O)c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)CC1,CHEMBL418564,6.43
+Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@H](C(=O)O)O3)c2nc(-c3ccco3)nn12,CHEMBL22355,5.44
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(CO)(CO)O3)c2nc(-c3ccco3)nn12,CHEMBL282888,6.36
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)NCC(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL22881,5.03
+Nc1nc2c(cnn2CCCc2ccc(N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL278812,6.25
+N=C(NO)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL2112948,6.75
+NCc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22320,6.24
+CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22200,5.38
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL22968,6.72
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12,CHEMBL278805,5.28
+Nc1nc2c(cnn2CCc2ccc(S(N)(=O)=O)cc2)c2nc(-c3ccco3)nn12,CHEMBL23745,5.58
+Nc1nc2c(cnn2CCCc2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)nn12,CHEMBL22241,5.99
+N=C(N)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL281601,5.3
+CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL442338,5.35
+Nc1nc2c(cnn2CCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17121,6.46
+Nc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22316,7.12
+Nc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL281805,5.67
+Nc1nc2c(cnn2CCCc2ccc(C(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL279254,5.31
+CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22500,6.38
+N=C(NO)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22822,7.22
+Nc1nc2c(cnn2CCc2ccc(N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL22202,6.91
+N#Cc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22191,5.19
+Nc1nc2c(cnn2CCCc2cc3c(cc2S(=O)(=O)O)OCO3)c2nc(-c3ccco3)nn12,CHEMBL22974,5.19
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL313306,8.1
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL22717,5.6
+CCn1c(C#Cc2ccccc2)nc2c(N)ncnc21,CHEMBL61259,5.89
+CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165073,6.15
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL141550,8.09
+CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167915,6.23
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL341376,6.15
+CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL355415,5.92
+Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL354161,5.95
+CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165910,5.95
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL423934,6.61
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL349019,6.41
+COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL144979,8.12
+Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165224,5.99
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL168018,6.75
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL349611,6.7
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL165560,6.6
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164325,6.61
+CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL350261,6.56
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL166684,6.55
+CCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL164647,6.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350830,6.52
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL351075,6.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL424161,6.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL349716,6.55
+CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348975,6.58
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165620,6.5
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572765,6.15
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164905,6.49
+CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352796,6.49
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350205,6.46
+CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165778,6.42
+CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL352192,6.39
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164509,6.4
+Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL164281,6.4
+CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164381,6.4
+CCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165044,6.35
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167753,6.37
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349240,6.39
+CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL352345,6.46
+COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL351211,6.35
+CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165600,6.3
+COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1,CHEMBL164992,6.3
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164275,6.28
+CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164685,6.22
+Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348925,6.22
+CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL163968,6.22
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL353299,6.21
+CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349464,6.45
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL352707,6.15
+Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL351285,6.14
+Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164686,6.12
+CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165083,6.1
+CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL166301,6.07
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349954,6.46
+Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344501,6.46
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352073,6.4
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL324735,6.23
+Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1,CHEMBL118923,6.517
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL132806,6.7
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL336217,6.85
+O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL134566,7.12
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL435022,7.26
+O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL138593,7.3
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL335950,6.023
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL541455,6.905
+O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL341777,7.7
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL135719,7.05
+CCCn1c(=O)c2[nH]c(C3CC4CC3C3OC43)nc2n(CCC)c1=O,CHEMBL298474,9.18
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=O,CHEMBL52333,9.335
+CCCCn1c(=O)[nH]c2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1=O,CHEMBL35094,5.93
+CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL35415,7.35
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL416417,7.17
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL38304,6.91
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCCC)cc3)nn12,CHEMBL333860,7.49
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OC)cc3)nn12,CHEMBL331111,6.4
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCC)cc3)nn12,CHEMBL122819,6.38
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(N(C)C)cc3)nn12,CHEMBL123462,5.88
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL136689,5.95
+CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL342500,6.45
+CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL145623,8.27
+NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113451,6.85
+Nc1nc(/N=N/NC(=O)Nc2nccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113454,7.62
+Nc1nc(/N=N/NC(=O)NCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113446,7.38
+Nc1nc(/N=N/NC(=O)Nc2ccccc2Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113445,7.64
+NC(=O)NN=Nc1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113447,6.69
+Nc1nc(/N=N/NC(=O)Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113460,8.21
+Nc1nc(/N=N/NC(=O)Nc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113459,7.82
+O=C(N/N=N/c1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113461,6.37
+O=C(N/N=N/c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113456,8.51
+Nc1nc(/N=N/NC(=O)NC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113452,8.24
+Nc1nc(/N=N/NC(=O)Nc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL605486,7.82
+CCNC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113444,7.35
+COc1ccccc1NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113458,7.7
+Nc1nc(/N=N/NC(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113453,5.72
+COc1ccc(NC(=O)NN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113455,7.7
+Nc1nc(/N=N/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113463,7.37
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N,CHEMBL116878,5.14
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1N,CHEMBL118507,4.64
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1N,CHEMBL334221,5.34
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL413507,7.19
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL327039,7.17
+COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL145767,6.35
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,7.85
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,6.85
+C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL304726,5.82
+COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL358735,6.76
+O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL142562,6.62
+COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL359379,6.59
+COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL145734,5.61
+COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL142926,6.52
+Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12,CHEMBL146658,6.46
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12,CHEMBL145123,5.5
+COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL357663,6.1
+Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL342059,7.0
+CC(C)CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL359044,7.0
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,8.7
+CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL414620,6.76
+Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL144972,6.61
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL341852,6.41
+CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344724,5.99
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,7.19
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,7.46
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL66393,8.13
+CCCn1c(=O)c2[nH]c(C3CCC(=O)C3)nc2n(CCC)c1=O,CHEMBL84545,7.98
+O=C(NC1CCC1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL149735,6.51
+O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL150944,6.83
+CCNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL151050,7.26
+CCCCNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL347342,6.8
+CC(C)NC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150676,7.44
+CCCNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL151046,6.63
+CCCNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL149520,7.3
+O[C@@H]1[C@@H](COC(=S)NC2CC2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL151074,6.8
+CN(C)C(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150490,6.69
+O=C(NC1CC1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150604,6.68
+C=CCNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150200,7.46
+O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL347519,7.92
+O=C(NCc1ccc(F)cc1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL151282,5.72
+CNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL358227,7.15
+CNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150348,7.35
+CC(C)NC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL151169,7.11
+CCNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150240,6.78
+CNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150950,6.85
+CNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL149790,7.02
+O=C(NCc1ccccc1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150983,5.74
+CCNC(=S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL358613,7.48
+O=C(NC1CCCC1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL356776,6.49
+O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL356610,7.14
+O=C(NC1CCCC1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL358218,6.65
+O=C(NC1CCCCC1)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL345494,6.23
+CN(C)C(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150517,6.62
+O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL357055,6.6
+CCCCNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL151968,5.85
+C=CCNC(=O)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL356860,6.28
+Cn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL113,4.359
+CC(C)N(C)c1nc2c(NC3CC4CC3CC4O)ncnc2n1C,CHEMBL363129,8.77
+Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl,CHEMBL189192,5.0
+CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL184557,5.7
+CCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL400414,5.43
+CCCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL188482,5.52
+COc1ccc(-c2cnn(-c3nc(NCc4cccc(I)c4)c4ncn(C5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL361075,5.35
+CNc1nc(-n2cc(-c3ccncc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL361938,5.42
+CNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL398587,5.42
+CCNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL231891,5.89
+OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5ccccn5)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL362117,5.38
+OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5nccc6ccccc56)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL363458,6.11
+CNc1nc(-n2cc(-c3cccnc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL186443,5.74
+CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL361072,5.59
+CNc1nc(-c2cnn(Cc3ccccc3)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL359991,5.89
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL251997,8.475
+O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL363807,9.1
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccccc1,CHEMBL361531,7.82
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(F)c1,CHEMBL179198,7.4
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(F)cc1,CHEMBL178932,7.09
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(C(F)(F)F)c1,CHEMBL359833,7.85
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(C(F)(F)F)cc1,CHEMBL177571,6.82
+Cc1cccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)c1,CHEMBL179300,7.09
+Cc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1,CHEMBL447487,7.31
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(O)c1,CHEMBL175787,7.92
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(O)cc1,CHEMBL175788,7.64
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)F)c1,CHEMBL368237,7.4
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(OC(F)F)cc1,CHEMBL179299,7.47
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)(F)F)c1,CHEMBL179358,7.52
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(OC(F)(F)F)cc1,CHEMBL179684,6.81
+COc1cccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)c1,CHEMBL176254,8.37
+COc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1,CHEMBL176060,7.39
+N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc2c(c1)OCO2,CHEMBL176295,7.96
+CN(C)c1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1,CHEMBL175990,6.61
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL175543,6.59
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(F)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112155,6.19
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112156,6.27
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368363,6.47
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL353319,6.62
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCC(N)=O)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368368,7.09
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCc4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368369,5.92
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368364,6.7
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112157,5.8
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)c(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368365,7.32
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccnc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112159,5.59
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112163,6.11
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368366,5.89
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(I)nc31)[C@H](O)[C@@H]2O,CHEMBL2368367,5.66
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O,CHEMBL2112161,6.21
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccccc4C)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112158,6.15
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112160,6.35
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCO)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112162,5.59
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)cc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112164,5.39
+CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL383144,5.22
+CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL194830,6.32
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL307199,7.77
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193385,7.7
+COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL191809,8.04
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193421,6.915
+Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL331382,7.41
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL364671,7.38
+OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193692,7.3
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL283057,5.68
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(N)nc31)[C@H](O)[C@@H]2O,CHEMBL2112175,5.8
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL280580,6.15
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27376,6.87
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Br)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368455,6.57
+CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1,CHEMBL426076,5.5
+c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL365026,5.35
+c1ccc(Nc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,CHEMBL2113046,5.65
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC4CCC3C4)c2[nH]1,CHEMBL446698,4.47
+CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL366216,5.41
+c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL187458,5.76
+c1ccc(Oc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,CHEMBL2113045,5.83
+c1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL191270,5.52
+Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188967,5.73
+Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188958,5.71
+c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL188592,5.56
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265587,7.52
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610814,6.12
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611089,6.14
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NCC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610837,6.6
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611092,6.52
+CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610580,6.35
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611090,6.55
+CCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611099,6.54
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610847,6.15
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CCCl)CCCl)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610830,6.14
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610589,6.6
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC56CC7CC(CC(C7)C5)C6)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610829,6.62
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610584,6.46
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC5CCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610579,6.38
+C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611095,6.69
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608755,6.49
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610845,6.55
+C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611104,6.42
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611091,6.46
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CC=CC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610846,6.6
+CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610849,6.46
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL186113,6.287000000000001
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360646,6.17
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL361925,6.51
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360837,6.22
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL2096798,6.46
+CCCn1c(=O)c2c([nH]c3nc(C4CC4)cn32)n(Cc2ccccc2)c1=O,CHEMBL364036,6.46
+CCCn1c(=O)c2c([nH]c3nc(C(C)C)cn32)n(Cc2ccccc2)c1=O,CHEMBL188269,6.34
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL178662,5.29
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C#N)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL181925,6.54
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL180559,6.19
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL368442,8.19
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(F)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL181468,5.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5C(F)(F)F)no4)cc3)nc2n(CCC)c1=O,CHEMBL183183,6.33
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL360280,5.93
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL180236,6.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(OC)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL183915,5.66
+N#Cc1cccc(-c2nc(NC(=O)O)sc2-n2cncn2)c1,CHEMBL1161797,5.55
+N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1,CHEMBL195140,5.75
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1,CHEMBL193977,5.82
+N#Cc1cccc(-c2nc(Nc3ccncc3)sc2-n2cncn2)c1,CHEMBL365172,5.42
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1,CHEMBL2113094,5.68
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1,CHEMBL372182,6.25
+Cc1cccnc1Nc1nc(-c2cccc(C#N)c2)c(-n2ccnc2)s1,CHEMBL2115302,8.1
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1,CHEMBL2113095,7.34
+Cc1cccc(Nc2nc(-c3cccc(C#N)c3)c(-n3ccnc3C)s2)n1,CHEMBL197103,6.65
+Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1,CHEMBL2113096,6.71
+Cc1ccc2c(=O)c(Cc3ccccc3)c[nH]c2n1,CHEMBL198760,5.38
+Cc1ccc2c(=S)c(Cc3ccccc3)c[nH]c2n1,CHEMBL427178,5.06
+Cc1ccc2c(=O)c(Cc3ccccc3Cl)c[nH]c2n1,CHEMBL195357,5.38
+Cc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL194331,6.2
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL195522,5.79
+Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)c[nH]c2n1,CHEMBL194704,5.25
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c2n1,CHEMBL196665,5.78
+COc1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1,CHEMBL197359,5.36
+Cc1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1,CHEMBL194956,5.8
+Cc1ccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c2n1,CHEMBL371131,6.14
+Cc1ccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c2n1,CHEMBL196138,6.52
+Cc1ccc2c(=O)c(C(=O)NC(C)c3ccccc3)c[nH]c2n1,CHEMBL383134,6.14
+Nc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL196306,5.2
+Nc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL196375,6.2
+Cn1c(-n2nccn2)nc2c(N)ncnc21,CHEMBL194728,9.4
+Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL194290,7.98
+CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL197669,7.095
+CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL196258,7.58
+Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21,CHEMBL196259,7.1
+CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL195001,5.64
+CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL198942,6.58
+Cn1c(-n2nccn2)nc2c(N)nccc21,CHEMBL198200,5.98
+Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1,CHEMBL197682,6.47
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2112177,7.47
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL573937,7.74
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4C5CCC4CC5)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112178,6.72
+OC[C@H]1O[C@@H](n2cnc3c(NC4C5CCC4CC5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL176551,9.32
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1,CHEMBL98678,8.48
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12,CHEMBL316824,5.56
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccoc3)nc12,CHEMBL327853,6.9
+O=c1[nH]c2ccccc2n2nc(-c3ccco3)nc12,CHEMBL330399,5.72
+O=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12,CHEMBL328437,8.7
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(C)cc4n3n2)cc1,CHEMBL197376,8.54
+COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1,CHEMBL200479,7.44
+O=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL334286,6.69
+O=c1[nH]c2ccccc2nc1-c1cc(Cl)[nH]n1,CHEMBL403521,5.48
+c1ccc2nc(-c3nc4ccccc4[nH]3)cnc2c1,CHEMBL200636,7.3
+CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1,CHEMBL198460,6.3
+CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1,CHEMBL372580,6.02
+CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21,CHEMBL198461,7.34
+Cc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198779,5.1
+Clc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL426297,6.46
+CSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198054,8.68
+CCSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198008,9.3
+Cc1cc(Cl)cc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198441,8.44
+Clc1cc(Cl)c2[nH]c(-c3cnc4ccccc4n3)nc2c1,CHEMBL197743,8.03
+CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL200780,6.99
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5OC)on4)c3)nc2n(CCC)c1=O,CHEMBL200509,5.48
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(OC)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL371649,5.7
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5cccc(OC)c5)on4)c3)nc2n(CCC)c1=O,CHEMBL200747,5.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5C(F)(F)F)on4)c3)nc2n(CCC)c1=O,CHEMBL200739,5.43
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5cccc(Cl)c5)on4)c3)nc2n(CCC)c1=O,CHEMBL200417,5.34
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL200451,5.64
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL427016,6.27
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O,CHEMBL252245,5.82
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5OC)n4)c3)nc2n(CCC)c1=O,CHEMBL372951,6.03
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(OC)c5)n4)c3)nc2n(CCC)c1=O,CHEMBL370860,6.09
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(OC)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL200230,5.41
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5C(F)(F)F)n4)c3)nc2n(CCC)c1=O,CHEMBL199692,5.72
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(Cl)c5)n4)c3)nc2n(CCC)c1=O,CHEMBL200146,5.52
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C#N)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL199895,6.24
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL380821,5.54
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)nc2n(CCC)c1=O,CHEMBL199732,6.2
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O,CHEMBL252045,6.0
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(C)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL200350,5.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200349,5.59
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(OC)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL371676,5.66
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(OC)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL371731,5.52
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5OC)no4)c3)nc2n(CCC)c1=O,CHEMBL200278,5.72
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5C(F)(F)F)no4)c3)nc2n(CCC)c1=O,CHEMBL200313,6.28
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL199471,5.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(Cl)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL370380,6.19
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C#N)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL199908,5.89
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL199309,5.48
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL372084,6.13
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200779,6.43
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5Cl)no4)c3)nc2n(CCC)c1=O,CHEMBL200370,5.6
+CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL199877,7.32
+CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL201427,6.2
+CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NCCC(C)C)[C@@H](O)[C@H]1O,CHEMBL201324,5.39
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200184,7.43
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200705,8.49
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL381868,8.34
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL381408,7.86
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL202189,8.7
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200854,6.84
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL370446,7.04
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200279,5.76
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200407,6.9
+O=C(NCc1cccc(Cl)c1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL199414,5.77
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL370187,6.29
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200099,7.12
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL200072,7.12
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL199541,5.7
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1,CHEMBL199611,8.11
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O,CHEMBL382135,8.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O,CHEMBL372148,7.96
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL201721,6.62
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O,CHEMBL370378,7.74
+COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201750,7.49
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL199446,7.83
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL436485,5.21
+CN(C)C(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL373065,5.23
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1,CHEMBL203998,6.1
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+]([O-])c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203060,6.26
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1,CHEMBL383689,6.4
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203660,6.48
+Cn1cc2c(nc(NC(=O)Nc3ccccn3)n3nc(-c4ccco4)nc23)n1,CHEMBL534936,6.63
+Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1,CHEMBL534489,6.625
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL207408,7.69
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(C(=O)OC)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL383643,8.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL205225,6.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(C(=O)O)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL205946,6.88
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O,CHEMBL381972,7.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@@H]1O,CHEMBL205850,8.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL378810,8.82
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(OC)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL383836,8.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O,CHEMBL205327,8.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL204527,8.79
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL204526,8.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL208160,8.17
+CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL376968,8.51
+CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL208238,8.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@H](C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL381108,8.1
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@@H](C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL205226,8.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCC(C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL382141,7.29
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL208264,7.7
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL204366,6.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL208311,7.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL439335,7.81
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(N)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL378367,6.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205531,7.35
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205768,7.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4=CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL206090,6.55
+CCCCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL204520,7.16
+CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL205788,6.75
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL204634,7.06
+c1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL381729,8.39
+COc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1,CHEMBL204779,8.43
+Cc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1,CHEMBL381112,7.44
+Clc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1Cl,CHEMBL383130,7.43
+Clc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1,CHEMBL206969,7.6
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1,CHEMBL207529,9.14
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1,CHEMBL207824,9.54
+CC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL204780,9.09
+CCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL424869,8.36
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1,CHEMBL378959,7.68
+COc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL207760,7.49
+Cc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205194,8.4
+Clc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205586,7.57
+Cc1ccc(-c2nc(-c3ccc(C)cc3)c3[nH]cnc3n2)cc1,CHEMBL205192,6.63
+Cc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL210380,5.41
+COc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL207208,5.38
+c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL442333,5.47
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,4.37
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209831,6.11
+CCCn1c(=O)c2[nH]c(-c3cnn(CCCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL210319,7.11
+CCCn1c(=O)c2[nH]c(-c3cnn(CCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209217,7.77
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL254725,7.12
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CCC)c1=O,CHEMBL380176,7.7
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL208920,5.51
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL378743,6.08
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC(C)C)c1=O,CHEMBL441530,6.21
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCCC)c1=O,CHEMBL383201,5.85
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL210808,6.24
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL426504,6.42
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL210271,6.24
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL208824,6.0
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL261722,6.34
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378598,5.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL209174,6.72
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4F)c3)nc2n(CCC)c1=O,CHEMBL210609,6.41
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4F)c3)nc2n(CCC)c1=O,CHEMBL210213,6.28
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)c(F)c4)c3)nc2n(CCC)c1=O,CHEMBL210212,6.77
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O,CHEMBL207434,7.39
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL251870,6.785
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)nc2n(CCC)c1=O,CHEMBL208110,7.36
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)cc4)c3)nc2n(CCC)c1=O,CHEMBL379474,7.64
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O,CHEMBL251869,6.77
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4F)c3)nc2n(CCC)c1=O,CHEMBL210649,7.72
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(Cl)cc4)c3)nc2n(CCC)c1=O,CHEMBL380284,8.15
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4)c3)nc2n(CCC)c1=O,CHEMBL210938,7.51
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378652,7.23
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(OC)cc4)c3)nc2n(CCC)c1=O,CHEMBL210683,7.15
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(OC)c4)c3)nc2n(CCC)c1=O,CHEMBL210150,7.47
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4OC)c3)nc2n(CCC)c1=O,CHEMBL380219,7.23
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C)cc4)c3)nc2n(CCC)c1=O,CHEMBL207524,7.42
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4)c3)nc2n(CCC)c1=O,CHEMBL378570,7.32
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C)c3)nc2n(CCC)c1=O,CHEMBL210747,7.66
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL209927,7.73
+Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL211183,7.01
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL16488,7.06
+COc1ccc(-n2nc3c(NC(C)=O)nc4c(N)cccc4n3c2=O)cc1,CHEMBL210642,5.57
+CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16305,5.7
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209230,7.26
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,6.73
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL212625,5.68
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL211521,6.74
+O=C(Nc1ccncc1)Nc1nc2nn(CCCO)cc2c2nc(-c3ccco3)nn12,CHEMBL211341,6.46
+CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL414157,8.137
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL216200,7.35
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL217268,7.46
+CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL218458,8.7
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216269,7.46
+CCCN1C(=O)N2C[C@@H](C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL384279,7.22
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL450341,7.66
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](CO)CC3)nc2n(CCC)c1=O,CHEMBL384139,7.39
+CCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCC)c1=O,CHEMBL385372,8.1
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,7.92
+CCCn1c(=O)c2[nH]c(C34CCC(CCCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL264070,7.54
+CCCn1c(=O)c2[nH]c(C34CCC(/C=C/C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217076,8.02
+CCCn1c(=O)c2nc(C34CCC(C=O)(CC3)CC4)[nH]c2n(CCC)c1=O,CHEMBL216517,7.82
+CCCn1c(=O)c2nc(C34CCC(CO)(CC3)CC4)[nH]c2n(CCC)c1=O,CHEMBL438827,7.8
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL438823,8.05
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)N5CCC(C(=O)O)CC5)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL385856,7.02
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL384257,7.66
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)N(C)CC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL384705,6.95
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL386777,7.31
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL424908,8.1
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCN(C)C)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217541,8.22
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217179,7.48
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](NC(=O)OCc4ccccc4)CC3)nc2n(CCC)c1=O,CHEMBL274199,6.96
+CCCn1c(=O)c2nc([C@H]3CC[C@H](C(=O)NCCN(C)C)CC3)[nH]c2n(CCC)c1=O,CHEMBL387440,7.92
+CCCCNC(=O)[C@H]1CC[C@H](c2nc3c(=O)n(CCC)c(=O)n(CCC)c3[nH]2)CC1,CHEMBL217085,7.34
+CCCn1c(=O)c2nc([C@H]3CC[C@H](COCc4ccccc4)CC3)[nH]c2n(CCC)c1=O,CHEMBL214228,6.77
+CNc1nc(-n2ccnn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL218450,6.0
+COc1ccc(Cl)c(CNc2nc([N-][N+]#N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL386698,7.22
+CNc1nc([N-][N+]#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL384425,6.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(CC5CCCC5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL374787,5.9
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(Cc5ccccc5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL385582,6.29
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL219910,5.79
+CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL374768,6.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4ccnn4)nc32)[C@H](O)[C@@H]1O,CHEMBL386263,6.23
+CNc1nc(-c2cn(Cc3cccc(Cl)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL216392,6.02
+CNc1nc(-c2cn(Cc3cccc(OC)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL384900,6.02
+CNc1nc(-c2cn(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219513,6.11
+CNc1nc(-n2cc(CC3CCCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL376249,5.84
+CNc1nc(-n2cc(CC3CCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219256,6.47
+CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL437344,6.23
+COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL218378,6.08
+CNc1nc(-n2cc(CN(C)C)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374645,5.42
+CNc1nc(-n2cc(CCO)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219600,5.9
+CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL219056,6.07
+CCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL219055,5.53
+CNc1nc(-n2cc(-c3ccccn3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL218326,5.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc([N-][N+]#N)nc32)[C@H](O)[C@@H]1O,CHEMBL218407,6.37
+CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,CHEMBL384365,6.23
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc[nH]4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218989,6.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4sccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL409483,5.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL425643,6.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccsc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218988,6.03
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL217952,7.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218585,5.59
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL219413,5.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL219411,5.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)o4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411332,6.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(Br)o4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL219361,6.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL218596,5.98
+CCSc1nc(N)nc(-c2ccccc2)n1,CHEMBL220445,7.17
+CSc1nc(N)nc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n1,CHEMBL373827,6.66
+COc1ccc(-c2cccc(-c3nc(N)nc(SC)n3)c2)cn1,CHEMBL426530,6.08
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)nc1N,CHEMBL375764,5.76
+CCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O,CHEMBL222201,7.38
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N,CHEMBL223828,6.72
+COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O,CHEMBL375164,7.03
+Cc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1,CHEMBL376920,6.56
+N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1N,CHEMBL220118,6.06
+N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N,CHEMBL220684,6.62
+N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N,CHEMBL412622,7.23
+CCc1nc2nc(C)cc(C)c2[nH]1,CHEMBL221579,7.0
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCCC4)[nH]c3n2)cc1,CHEMBL219160,9.05
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1,CHEMBL219625,9.21
+CC(C)(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220053,8.26
+CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL385109,9.06
+CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221486,9.26
+CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221343,9.21
+CCCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL376648,8.6
+CCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL222130,8.62
+Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220587,7.85
+c1ccc(-c2cc(-c3ccccc3)c3nc[nH]c3n2)cc1,CHEMBL220535,8.92
+O=c1[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1,CHEMBL374938,8.07
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223786,5.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL220386,5.73
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374336,5.39
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374792,5.85
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL374462,6.76
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374242,5.73
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL375301,7.28
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223625,4.27
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL427077,5.52
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL220334,4.32
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223456,4.92
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL223514,5.4
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL385771,6.82
+CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1162942,5.41
+CON=c1[nH]c(C#Cc2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220158,5.73
+CON=c1[nH]c(C#Cc2ccc(C(N)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223740,6.05
+CON=c1[nH]c(C#Cc2ccc(C(C)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL385770,5.89
+CON=c1[nH]c(C#Cc2ccc(CC#N)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220335,6.12
+CON=c1[nH]c(C#Cc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373578,5.61
+CON=c1[nH]c(C#Cc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223739,5.55
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374320,6.14
+CON=c1[nH]c(C#Cc2ccc(C)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426537,5.86
+CON=c1[nH]c(C#Cc2ccncc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220899,5.92
+CON=c1[nH]c(C#Cc2cccnc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223328,6.59
+CON=c1[nH]c(C#Cc2ccccn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223327,6.36
+CON=c1[nH]c(C#CC2CCCCC2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223326,7.47
+CON=c1[nH]c(C#CCC(C)O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219888,7.02
+CON=c1[nH]c(C#CCCCC#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375619,6.55
+CON=c1[nH]c(C#C[Si](C)(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL267421,7.66
+CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL220889,7.01
+C#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL374019,7.6
+CON=c1[nH]c(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,CHEMBL441707,5.92
+CON=c1[nH]c(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223472,7.24
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL221206,5.04
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL376542,8.15
+Nc1nc(OCCc2cc3ccccc3[nH]2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374461,6.71
+Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222945,6.66
+Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223366,6.83
+Nc1nc(OCCc2ccsc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225287,6.55
+Nc1nc(OCCc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225233,6.76
+Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374760,6.85
+Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426928,6.33
+Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225593,6.51
+Nc1nc(OCCc2ccccc2F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225535,6.48
+C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1,CHEMBL222392,5.81
+Nc1nc(OCCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387324,5.69
+Nc1nc(OCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374151,6.02
+Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374685,6.66
+CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL223846,5.58
+Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222748,6.46
+Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222194,6.45
+Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222442,6.89
+Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373478,6.82
+COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1,CHEMBL223002,6.24
+Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223729,6.68
+Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL434377,6.35
+Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225459,6.6
+Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222907,6.84
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@@H]1O,CHEMBL223845,6.72
+CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL261515,6.19
+N=C(N)Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113271,7.13
+Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222500,6.51
+COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1,CHEMBL374028,5.74
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1,CHEMBL441555,6.17
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1,CHEMBL222092,6.92
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCC1,CHEMBL222771,6.97
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CC1,CHEMBL224835,7.6
+CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL374366,7.57
+CC(C)CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL376672,7.6
+CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL225584,6.65
+CC(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL376778,8.05
+CCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL221407,7.56
+CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL222719,8.43
+CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL222718,7.415
+CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL225244,6.32
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1,CHEMBL426390,6.43
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1,CHEMBL221455,6.51
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1,CHEMBL222496,7.81
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL375631,8.67
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCC1,CHEMBL223978,8.19
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1,CHEMBL388113,8.12
+CC(C)(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222504,8.06
+CC(C)(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222503,7.56
+CCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL223977,8.65
+CCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL390535,8.2
+CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL387322,7.83
+CC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222433,7.95
+CCCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222432,6.96
+CCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222384,7.73
+CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222474,7.835
+CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL426565,7.483
+COc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL375154,7.935
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(F)cc1,CHEMBL225398,7.85
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1F,CHEMBL224620,7.67
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(OC)cc1,CHEMBL223871,7.8
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL86275,6.3
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL289125,5.0
+CSc1nc(NC2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL380968,5.2
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL40798,5.7
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL312214,6.0
+COc1ccc(-c2n[nH]c3nc4ccccc4n3c2=O)cc1OC,CHEMBL273657,5.7
+O=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12,CHEMBL7334,6.3
+O=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12,CHEMBL7327,6.6
+O=c1c(Cc2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL389418,6.6
+Cc1nnc2n(C)c3ccccc3n2c1=O,CHEMBL113569,5.0
+Cc1n[nH]c2nc3ccccc3n2c1=O,CHEMBL7269,5.4
+Cn1c2ccccc2n2c(=O)c(-c3cccs3)nnc12,CHEMBL7142,7.1
+COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1,CHEMBL7493,5.7
+Cn1c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nnc12,CHEMBL7925,5.0
+Cn1c2ccccc2n2c(=O)c(-c3ccccc3)nnc12,CHEMBL7909,7.205
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12,CHEMBL388969,7.3
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12)c1ccccc1,CHEMBL387870,7.0
+O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL16715,7.1
+O=c1[nH]nc2c(NCCc3ccccc3)nc3ccccc3n12,CHEMBL224453,8.3
+O=c1[nH]nc2c(NCc3ccccc3)nc3ccccc3n12,CHEMBL389039,7.3
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL16774,9.0
+Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1,CHEMBL276321,8.9
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL279870,8.3
+Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1,CHEMBL275421,8.4
+Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16643,7.5
+Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1,CHEMBL416537,7.7
+Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL273578,7.7
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL280278,9.4
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL274267,8.8
+Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL278197,8.0
+CC(=O)Nc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL224569,6.5
+Cc1ccc(CCNc2c(C(=O)OCC3CC3)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL375690,7.2
+O=C(OCC1CC1)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL224307,7.3
+CCCNc1c(C(=O)OCC2CC2)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL375885,7.0
+CCC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL374620,7.2
+CCCNc1c(C(=O)OC(C)CC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL223450,7.3
+CCC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224852,6.7
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL390169,5.0
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL375941,5.0
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL225523,5.7
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCC,CHEMBL376747,6.0
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL223229,6.0
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1,CHEMBL389060,7.4
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(Cl)c1,CHEMBL224619,7.0
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1Cl,CHEMBL223821,7.4
+Cc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL224933,7.3
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL427255,7.5
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL224098,6.2
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL388388,5.7
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL224621,6.0
+CCCNc1c(C(=O)OC(C)C)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL389405,7.7
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224083,7.5
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL390096,6.9
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL224179,5.9
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL224125,5.7
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL223340,5.5
+CCCNc1c(C(=O)OCCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL223451,6.8
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL376193,6.8
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(Cl)c1,CHEMBL389644,6.7
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1Cl,CHEMBL224313,7.1
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(F)c1,CHEMBL224097,7.5
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(C)cc1,CHEMBL376588,7.7
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL391004,7.1
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL225026,6.9
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL225104,5.0
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL225522,5.4
+CCCNc1c(C(=O)OC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL225341,6.8
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224669,6.6
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL314765,7.0
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL312811,6.9
+CCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL82389,7.0
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL432950,7.3
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL312859,6.9
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL388505,7.51
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL225944,7.65
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL226305,7.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL226356,7.52
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226307,7.79
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226304,7.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL375501,7.69
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccncc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388406,7.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(N6CCOCC6)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226303,7.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(C(C)(C)C)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388405,7.73
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc6c(c5)OCO6)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388194,8.08
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5cc(OC)cc(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226245,7.82
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226244,8.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226243,8.33
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL225579,7.5
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(I)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226242,8.28
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Br)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388193,8.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437168,8.51
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226194,8.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226193,8.07
+CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL388145,7.26
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL413686,5.6
+O=C1NCC[C@@]12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL344187,4.92
+CCNC(=O)c1cnn(-c2nc(Nc3ccc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232513,7.05
+CCNC(=O)c1cnn(-c2nc(Nc3ccc(C)cc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232512,6.92
+CCNC(=O)c1cnn(-c2nc(Nc3ccncc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232310,5.97
+O=C(O)c1ccnc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL393185,7.19
+OCc1cnn(-c2nc(Nc3ncc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429619,6.8
+OCc1cnn(-c2nc(Nc3cnccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429073,7.7
+OCc1cnn(-c2nc(Nc3ccc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232096,7.41
+OCc1cnn(-c2nc(Nc3ccncc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL399621,6.87
+OCc1cnn(-c2nc(Nc3ccccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234136,7.44
+OCc1cnn(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL392742,7.51
+Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL400013,7.13
+CNC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL393916,8.1
+CCOC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL428716,7.52
+OC[C@H]1O[C@@H](n2cnc3c(NC45CCC(CC4)C5)nc(-n4cccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL399214,9.4
+O=C(O)c1cnn(-c2nc(NC34CCC(CC3)C4)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL394221,9.0
+CCOC(=O)c1cnn(-c2nc(NC34CCC(CC3)C4)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234974,8.52
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(-n4cccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL393172,7.47
+CCOC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL392958,9.05
+NC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232482,9.22
+O=C(O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232670,8.05
+CCNC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL391208,9.0
+CNC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL400034,8.7
+O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL393496,8.1
+CCOC(=O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL393295,8.22
+O=C(NCc1ccc(Cl)cc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL231881,7.57
+O=C(NCc1ccc(F)cc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234779,7.37
+O=C(NCc1ccccc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232516,8.7
+O=C(O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232515,7.62
+CCCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232313,8.0
+CCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232100,8.0
+CNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232099,7.64
+CCOC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL398588,8.52
+O=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL241987,6.69
+O=c1[nH]c2ccccc2c2cn(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL242204,6.45
+COc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1,CHEMBL388250,7.85
+COc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242203,6.75
+Cc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242202,7.54
+Cc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1,CHEMBL387592,7.92
+Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320805,6.18
+COc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL388458,7.49
+COc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL105913,7.4
+Cc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL106346,7.35
+Cc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL107446,7.68
+CC(=O)Nc1nc2ccccc2c2cn(-c3cccc(C)c3)nc12,CHEMBL242421,6.69
+COc1ccc(-n2cc3c(n2)c(NC(C)=O)nc2ccccc23)cc1,CHEMBL242422,5.54
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccc(C)cc3)nc12,CHEMBL388459,6.34
+Cc1cccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)c1,CHEMBL242424,7.24
+COc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL390407,6.6
+Cc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL242632,6.2
+Cc1cccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)c1,CHEMBL242633,7.22
+COc1ccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)cc1,CHEMBL390408,6.7
+Cc1cccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)c1,CHEMBL242851,6.25
+Cc1cccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)c1,CHEMBL231560,5.17
+O=c1[nH]c2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL192555,6.47
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235935,6.12
+COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235719,6.34
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235718,7.04
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL398787,6.93
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235513,5.57
+Cc1ccc(-c2nn3c(NC(=O)c4cccc(Cl)c4)nc4ccccc4n3c2=O)cc1,CHEMBL235512,6.59
+COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1,CHEMBL400812,7.09
+O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1cccc(Cl)c1,CHEMBL400811,6.41
+COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235295,7.0
+O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1ccccc1,CHEMBL235294,6.69
+Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1,CHEMBL392136,7.72
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL235076,6.97
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL394064,7.1
+COc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL235075,7.05
+Cc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL394063,7.34
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL397821,6.98
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12,CHEMBL235071,7.19
+Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL236958,7.36
+Cc1ccc(-c2nn3c(=O)[nH]c4ccc(Cl)cc4n3c2=O)cc1,CHEMBL192615,6.05
+O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL371834,6.96
+O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL372281,6.02
+COc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL192554,5.97
+Cc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL190768,5.36
+O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12,CHEMBL192198,6.23
+O=C(Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12)c1cccc(Cl)c1,CHEMBL401017,6.04
+O=C(OCc1ccccc1Br)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL430374,7.68
+O=C(OCc1ccccc1Cl)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL392720,6.11
+O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL240487,6.79
+CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL240279,7.49
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4N5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL391031,7.29
+O=C(OCc1ccccc1)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1,CHEMBL240278,6.54
+CC(=O)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1,CHEMBL391030,6.1
+CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1,CHEMBL240277,6.03
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CC[Se]C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL240065,8.1
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCSC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL391029,7.15
+COc1ccc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2c1,CHEMBL246470,5.64
+CC1(C)NC(C)(C)c2cc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21,CHEMBL249294,6.54
+CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O,CHEMBL398669,7.49
+CC(C)(C)c1cc(C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C(C)(C)C)c1O,CHEMBL251708,7.4
+CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1,CHEMBL249492,5.8
+CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O],CHEMBL400746,8.15
+CC1(C)c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL249677,7.82
+CC1(C)CC(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O],CHEMBL399774,7.3
+CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1[O],CHEMBL250316,7.3
+CC1(C)c2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL400567,7.0
+Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL399529,7.25
+CC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL401321,8.03
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1,CHEMBL251975,6.573
+O=C(CN1CCOCC1)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL252345,7.2
+CN(C)CC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL399577,7.55
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccco3)n2)n1,CHEMBL252171,5.765
+CN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccco3)n2)CC1,CHEMBL398272,6.66
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL400190,7.68
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL252198,8.73
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL400782,7.81
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL400189,8.34
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254896,6.08
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254693,5.32
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL399514,6.45
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254064,5.95
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251873,5.25
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O,CHEMBL427887,5.85
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)[nH]c2c1=O,CHEMBL251854,5.46
+O=c1[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL253252,6.68
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL253048,5.38
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL404131,5.74
+O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL252069,5.48
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251874,5.29
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL404130,5.8
+Cc1ccc(-c2nc(NC(=O)COc3ccccc3F)cc(-c3nccs3)n2)o1,CHEMBL404739,6.19
+Cc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc(C)n1,CHEMBL253528,6.13
+Cc1cc(C)nc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)n1,CHEMBL404864,7.02
+COc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)ccc1CN(C)C,CHEMBL253317,6.82
+COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1,CHEMBL429125,7.0
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccc(CN(C)C)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL404863,6.92
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CCN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256755,5.92
+COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1,CHEMBL402781,5.85
+COc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(CN(C)C)c1,CHEMBL429850,6.7
+Cc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(CN(C)C)c1,CHEMBL256548,6.57
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CN(C)C)nc(-c3ccc(C)o3)n2)n1,CHEMBL256547,6.57
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256546,6.27
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL403846,7.11
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256327,6.32
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256332,6.92
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256331,6.85
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL403845,7.14
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256125,6.22
+CCN(C)Cc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1,CHEMBL256124,7.17
+CCNCc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1,CHEMBL256123,7.17
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL401895,7.31
+N#Cc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)c1,CHEMBL255911,7.06
+O=C(COc1cccc(F)c1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1,CHEMBL255699,6.74
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(C#N)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL402904,4.6
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(F)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL255267,5.01
+Cc1ccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)cc1,CHEMBL404744,5.68
+Cc1ccc(-c2nc(NC(=O)COc3cccc(Cl)c3)cc(-c3nccs3)n2)o1,CHEMBL255861,5.82
+Cc1ccc(-c2nc(NC(=O)COc3cccc(C#N)c3)cc(-c3nccs3)n2)o1,CHEMBL255860,5.37
+Cc1ccc(-c2nc(NC(=O)COc3ccc(F)cc3)cc(-c3nccs3)n2)o1,CHEMBL404740,5.89
+Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)cc(-c3nccs3)n2)o1,CHEMBL255859,5.66
+Cc1ccc(-c2nc(NC(=O)COc3ccccc3)cc(-c3nccs3)n2)o1,CHEMBL255649,5.96
+Cc1ccc(-c2nc(NC(=O)CCc3ccccc3F)cc(-c3nccs3)n2)o1,CHEMBL255647,6.39
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3nccs3)n2)n1,CHEMBL271202,5.7
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1,CHEMBL409711,5.36
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1,CHEMBL409934,6.03
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1,CHEMBL271377,6.07
+Cc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)n1,CHEMBL270761,5.77
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1,CHEMBL270715,5.38
+CN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1,CHEMBL270136,6.41
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1,CHEMBL272669,6.14
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270467,6.07
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3nccc3C)n2)o1,CHEMBL272825,6.41
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)o1,CHEMBL409112,6.07
+Cc1cc(C)n(-c2cc(NC(=O)CCN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270314,6.2
+Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1,CHEMBL410234,6.68
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272637,6.66
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429761,6.26
+CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL429575,5.59
+CCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL409229,6.43
+CCN[C@@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL259038,6.57
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409230,5.64
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270355,6.58
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL271606,6.03
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL406397,6.46
+Cc1cc(C)n(-c2cc(NC(=O)CC3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272679,5.99
+COC1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL271786,5.92
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL406921,6.2
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL261176,6.3
+CC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL261177,6.27
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN(C)C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409459,6.42
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409460,7.15
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429428,6.05
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409419,5.68
+CCN1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL409420,5.73
+CN(CCO)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255596,6.63
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255809,6.46
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255975,6.39
+CN1C(=O)C2Nc3cccnc3C2N(C)C1=O,CHEMBL405696,6.42
+Oc1c(Br)cc2[nH]c3cnccc3c2c1Br,CHEMBL272185,5.13
+CN1C(=O)C2C(c3ncccc3N2C)N(C)C1=O,CHEMBL407351,4.87
+CN1C(=O)C2Nc3cnccc3C2N(C)C1=O,CHEMBL408895,4.93
+CCCSc1nc(NC(=O)CC)cc(OC)n1,CHEMBL429435,6.31
+CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1,CHEMBL272795,5.35
+CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1,CHEMBL429131,5.68
+CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1,CHEMBL402848,5.61
+CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1,CHEMBL257256,6.24
+CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1,CHEMBL271106,5.74
+CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1,CHEMBL257487,5.61
+CCCOc1cc(NC(=O)CC)nc(SCCC)n1,CHEMBL271753,5.84
+CCCOc1cc(NC(C)=O)nc(SCCC)n1,CHEMBL272596,5.26
+Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL261345,8.25
+O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1cccs1,CHEMBL406935,7.3
+O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1,CHEMBL263370,6.7
+O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL263372,7.9
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411319,7.2
+CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411482,6.95
+c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1,CHEMBL259430,6.27
+CCOc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL265705,5.43
+COc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL406807,6.48
+OCCN(CCO)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262089,7.23
+CCN(CC)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262353,6.87
+COC(CNc1nc2ccccc2n2nc(-c3ccco3)nc12)OC,CHEMBL262351,6.24
+COCCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258848,7.13
+COCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258849,6.52
+NCC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL409836,6.85
+CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL259178,8.4
+OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL405868,8.5
+c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL430227,7.03
+c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1,CHEMBL410264,7.48
+c1ccc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL261167,6.99
+c1ccc(Nc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL261346,7.34
+COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL410066,6.57
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O,CHEMBL259105,6.44
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21,CHEMBL294223,6.17
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21,CHEMBL412112,7.05
+COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL428605,6.27
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL262332,6.3
+Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL261185,7.75
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1,CHEMBL261667,6.94
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1,CHEMBL408911,6.99
+N#Cc1c(-c2ccccc2)nc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1,CHEMBL430230,7.03
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CC2)nc1-c1ccccc1,CHEMBL261085,8.03
+CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL440416,8.54
+CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL258989,8.19
+CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL259075,8.54
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccccc1,CHEMBL259704,8.92
+CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)n1,CHEMBL259933,8.08
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)OCO2,CHEMBL259319,8.55
+N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2c(c1)OCO2,CHEMBL259607,8.74
+N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1,CHEMBL259736,8.48
+CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL260891,7.75
+CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL407609,7.37
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1)C1CCCC1,CHEMBL261088,8.09
+Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL406714,7.46
+N#Cc1c(NC(=O)C2CC2)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL405614,7.55
+CCCC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N,CHEMBL259532,7.9
+N#Cc1c(NC(=O)C2CCCC2)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL260890,8.28
+CCC(CC)C(=O)Nc1nc(-c2ccccc2)nc(-c2ccc3c(c2)OCO3)c1C#N,CHEMBL412141,7.74
+CCCC(=O)Nc1nc(-c2ccccc2)nc(-c2ccc3c(c2)OCO3)c1C#N,CHEMBL410317,7.87
+N#Cc1c(NC(=O)C2CCCC2)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2,CHEMBL260396,8.24
+N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2,CHEMBL258924,8.31
+N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL260615,7.97
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CC1,CHEMBL409125,7.89
+CCC(CC)C(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL261198,7.55
+CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL409126,8.17
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL259392,7.76
+Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL258834,7.81
+Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL406788,7.6
+C[Se]C[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL412104,7.52
+CSC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL410288,8.3
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@@H]1O,CHEMBL258759,8.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411245,9.05
+CN(C)C(=S)O[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411859,5.66
+CNC(=O)O[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4C4SC45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL279161,6.23
+CN(C)C[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411463,4.93
+CC(=O)NC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL262850,5.23
+CCCNC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411279,5.14
+NC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265947,5.41
+C[Se]C[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL262876,6.55
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O,CHEMBL258760,6.37
+CCCSC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL258972,6.42
+CCSC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL260631,6.91
+CSC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL258489,6.92
+O[C@@H]1[C@@H](CS)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O,CHEMBL260205,6.55
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O,CHEMBL427737,8.01
+O[C@@H]1[C@@H](CF)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O,CHEMBL262604,7.77
+CCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL263643,6.76
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O,CHEMBL261810,6.46
+CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O,CHEMBL258987,6.85
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O,CHEMBL258473,6.17
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O,CHEMBL430044,6.32
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O,CHEMBL261809,6.3
+NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410104,6.46
+O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)N1CCCC1,CHEMBL406594,6.38
+O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1,CHEMBL261546,6.43
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL408266,6.59
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL261554,6.7
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL407969,5.66
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O,CHEMBL428086,6.04
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc[n+]([O-])c4)c3)nc2n(CC)c1=O,CHEMBL410529,5.95
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL427736,5.89
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL259565,5.44
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O,CHEMBL259772,5.6
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O,CHEMBL260878,5.82
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O,CHEMBL261526,6.28
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccn4)c3)nc2n(CC)c1=O,CHEMBL261525,6.39
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL258499,6.2
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL261819,5.83
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL261817,6.46
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL411452,6.66
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL408936,6.5
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL430050,7.12
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL265213,5.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL265212,6.56
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O,CHEMBL405901,6.75
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL412747,6.78
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL259300,6.73
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL259524,6.81
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259129,6.21
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL259130,6.45
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL409852,6.46
+CC(C)Cn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O,CHEMBL406775,6.42
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL258507,6.37
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL427911,6.52
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL260763,6.38
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260976,6.54
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL260975,6.36
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL258686,6.24
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259342,6.56
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260490,6.46
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411329,6.6
+O=C(c1cccs1)c1nc(NCCCO)nc2ccsc12,CHEMBL405235,7.49
+O=C(c1cccs1)c1nc(NCCO)nc2ccsc12,CHEMBL405234,7.85
+O=C(c1cccs1)c1nc(NCc2ccccc2)nc2ccsc12,CHEMBL264433,5.76
+CN(C)c1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL264436,5.84
+CCNc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL404985,6.97
+NNc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL264435,7.48
+Nc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL405026,6.74
+COc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL260547,6.15
+CCc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL407326,6.4
+Cc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL259283,6.31
+O=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL260758,5.26
+Cc1ccc(C(=O)c2nc(C(F)(F)F)nc3ccsc23)o1,CHEMBL408703,6.53
+O=C(c1ccoc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL409547,6.5
+O=C(c1ccco1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL410498,6.33
+O=C(c1ccsc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL258589,5.38
+O=C(c1cccs1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL406932,6.37
+O=C(c1ccc[nH]1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL411922,5.46
+O=C(c1ccncc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL405027,4.84
+O=C(c1cccnc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL264699,5.35
+O=C(c1ccccn1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL264698,4.76
+O=C(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL405028,5.87
+OC(c1ccccc1)c1cc(C(F)(F)F)nc2ccccc12,CHEMBL408869,4.78
+O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411685,5.07
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1,CHEMBL411686,5.91
+O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1,CHEMBL172,4.85
+Clc1nc(-c2cccs2)c2sccc2n1,CHEMBL253753,5.69
+OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL406048,6.6
+OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL260718,7.85
+OCCNc1nc(-c2nccs2)c2sccc2n1,CHEMBL407638,7.24
+CC(C)(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL406049,6.62
+c1csc(-c2nc(C3CC3)nc3ccsc23)n1,CHEMBL260719,6.59
+CC(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL407307,6.68
+Clc1nc(-c2nccs2)c2sccc2n1,CHEMBL260773,6.21
+CN(C)c1nc(-c2cnccn2)c2sccc2n1,CHEMBL406483,6.0
+Cc1ccc(-c2nc(N(C)C)nc3ccsc23)nc1,CHEMBL259952,5.9
+CN(C)c1nc(-c2ccccn2)c2sccc2n1,CHEMBL259953,5.8
+CN(C)c1nc(-c2cn[nH]c2)c2sccc2n1,CHEMBL406745,5.26
+CN(C)c1nc(-c2nccn2C)c2sccc2n1,CHEMBL406314,5.96
+CN(C)c1nc(-c2ncc[nH]2)c2sccc2n1,CHEMBL408146,5.24
+Cc1nc(-c2nc(N(C)C)nc3ccsc23)sc1C,CHEMBL259442,6.6
+Cc1cnc(-c2nc(N(C)C)nc3ccsc23)s1,CHEMBL407064,6.04
+Cc1csc(-c2nc(N(C)C)nc3ccsc23)n1,CHEMBL406315,6.52
+Nc1nc(-c2nccs2)c2sccc2n1,CHEMBL259111,6.17
+CN(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL402464,6.44
+CN(C)c1nc(-c2ccoc2)c2sccc2n1,CHEMBL258901,5.46
+OCCNc1nc(-c2ccco2)c2sccc2n1,CHEMBL258900,6.06
+CN(C)c1nc(-c2ccco2)c2sccc2n1,CHEMBL405567,5.66
+CCNc1nc(-c2ccco2)c2sccc2n1,CHEMBL260667,6.43
+CNc1nc(-c2ccco2)c2sccc2n1,CHEMBL259445,6.25
+Nc1nc(-c2ccco2)c2sccc2n1,CHEMBL406298,6.32
+CN(C)c1nc(-c2cc3ccccc3s2)c2sccc2n1,CHEMBL261754,5.9
+CCc1nc(-c2cccc(C)n2)c2sccc2n1,CHEMBL408624,5.9
+CCc1nc(-c2ccccn2)c2sccc2n1,CHEMBL259337,6.04
+CCc1nc(-n2nccn2)c2sccc2n1,CHEMBL407652,5.31
+CCc1nc(-c2ncc[nH]2)c2sccc2n1,CHEMBL403704,5.26
+CCc1nc(-c2nc(C)cs2)c2sccc2n1,CHEMBL259323,6.38
+CCc1nc(-c2nccs2)c2sccc2n1,CHEMBL407650,6.41
+CCc1nc(-c2ccoc2)c2sccc2n1,CHEMBL259338,5.0
+CCc1nc(-c2ccco2)c2sccc2n1,CHEMBL265695,5.49
+OCCNc1nc(-c2cccs2)c2sccc2n1,CHEMBL405479,6.4
+CN(C)c1nc(-c2cccs2)c2sccc2n1,CHEMBL265696,5.71
+CCNc1nc(-c2cccs2)c2sccc2n1,CHEMBL407327,6.09
+COc1nc(-c2cccs2)c2sccc2n1,CHEMBL265937,5.8
+CCc1nc(-c2cccs2)c2sccc2n1,CHEMBL402817,5.83
+Cc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL258836,5.56
+CN(C)c1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL409152,6.13
+CSc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL411473,6.26
+COc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL410033,6.27
+Nc1nc(-c2cncs2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL258960,6.08
+Nc1nc(-c2ccccc2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL259164,7.22
+Nc1nc(-c2cccs2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL264431,6.9
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1,CHEMBL411034,7.59
+Cc1ccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL264432,7.12
+Cc1cccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL259049,7.59
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1,CHEMBL429144,7.15
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1,CHEMBL259832,6.77
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1,CHEMBL409915,7.55
+C[C@@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1,CHEMBL410679,5.73
+C[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1,CHEMBL409682,6.64
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1,CHEMBL260989,6.2
+Nc1nc(-c2ccco2)c2ncn(C(=O)Nc3ccccc3)c2n1,CHEMBL409879,5.3
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL261203,7.77
+CS(=O)(=O)c1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL260008,5.12
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)cc3)c2n1,CHEMBL424827,5.48
+Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1,CHEMBL371615,6.21
+Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1,CHEMBL260209,5.84
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL410463,5.19
+Nc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL260788,5.4
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL410445,5.24
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL260790,5.41
+COC(=O)c1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL260721,5.71
+COc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL371436,5.77
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc(Cl)c3)c2n1,CHEMBL261349,6.01
+Cc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL261534,5.97
+Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1,CHEMBL196436,5.48
+Nc1nc(-c2ccco2)c2[nH]cnc2n1,CHEMBL404447,5.31
+Nc1nc(-c2ncc[nH]2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL255939,5.31
+Cn1ccnc1-c1nc(N)nc2c1cnn2Cc1ccccc1F,CHEMBL256151,5.21
+Nc1nc(-n2ccnn2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL402606,5.7
+Nc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL402389,6.3
+Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL267200,5.78
+Nc1nc(-c2ccccn2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL257982,6.28
+Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL258006,6.71
+CS(=O)(=O)c1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL402103,5.95
+Nc1nc(-c2ccco2)c2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1,CHEMBL256344,7.33
+Nc1nc(-c2ccco2)c2cnn(Cc3c(F)cccc3F)c2n1,CHEMBL402409,6.89
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL403252,6.58
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL257984,5.2
+Nc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL258181,6.91
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3N)c2n1,CHEMBL403470,6.49
+Nc1nc(-c2ccco2)c2cnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL256153,5.79
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL256360,6.3
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL256359,5.79
+COC(=O)c1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL256361,6.11
+COc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL401973,6.55
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc(Cl)c3)c2n1,CHEMBL257757,6.69
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3Cl)c2n1,CHEMBL257756,6.14
+Cc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL402172,6.6
+CN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL260338,5.14
+OCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL260337,6.76
+Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1,CHEMBL260146,7.89
+Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1,CHEMBL407049,7.77
+Nc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL259210,6.34
+Nc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1,CHEMBL437804,6.15
+Nc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1,CHEMBL259416,5.71
+Nc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1,CHEMBL405789,6.12
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1,CHEMBL259418,6.33
+Nc1nc(-c2ccco2)c2c[nH]nc2n1,CHEMBL260557,6.19
+Nc1nc(-c2ccco2)c2cc[nH]c2n1,CHEMBL406499,5.56
+Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1,CHEMBL410678,6.15
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)NCCNC(C)=O)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL257573,6.74
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)NCCN)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL256312,6.57
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)O)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL256520,6.49
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(=NOC)[nH]c(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL402607,6.58
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL257785,6.34
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@H](O)[C@@H]2O,CHEMBL257833,4.83
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL436649,6.32
+CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL258421,5.98
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#C[Si](C)(C)C)nc31)[C@H](O)[C@@H]2O,CHEMBL257405,6.8
+C#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL402574,6.76
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(I)nc31)[C@H](O)[C@@H]2O,CHEMBL255907,5.51
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],CHEMBL193,5.35
+CC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL485765,8.14
+COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL487569,7.66
+CC(=O)Nc1cc(-c2cccc(N3CCCCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL521356,7.51
+COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1,CHEMBL487554,7.47
+COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1,CHEMBL485972,7.26
+COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL486950,7.19
+CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486140,7.15
+CC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1,CHEMBL487572,7.09
+COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1,CHEMBL487553,7.09
+COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F,CHEMBL486745,6.96
+COCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL519383,6.96
+CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL486162,6.92
+CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL520229,6.89
+COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL458242,6.72
+CC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486130,6.71
+CC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL521029,6.66
+CC(=O)Nc1cc(-c2cccc(N3CCCOCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL520036,6.55
+CC(=O)Nc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1,CHEMBL487765,6.54
+CC(=O)Nc1cc(-c2cccc(N)n2)nc(-n2nc(C)cc2C)n1,CHEMBL487372,6.36
+CC(=O)Nc1cc(-c2cccc(N3CCC(O)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL521223,6.33
+CC(=O)Nc1cc(-c2ccnc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL487371,6.24
+CCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL485752,6.21
+COC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL519549,6.11
+CC(=O)Nc1cc(-c2ccncc2)nc(-n2nc(C)cc2C)n1,CHEMBL520238,6.09
+COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1,CHEMBL486131,6.03
+CC(=O)Nc1cc(-c2cccnc2)nc(-n2nc(C)cc2C)n1,CHEMBL487766,5.68
+CC(=O)Nc1cc(-c2cc(N3CCOCC3)ccn2)nc(-n2nc(C)cc2C)n1,CHEMBL485950,5.34
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL512290,8.66
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL469119,7.75
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O,CHEMBL513681,8.0
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL466021,7.69
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL512276,9.4
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N,CHEMBL468370,7.55
+N#Cc1c(-c2ccc(O)cc2)cc(-c2ccccc2)nc1N,CHEMBL454994,7.21
+Cc1cccc(-c2cc(-c3ccccc3)nc(N)c2C#N)c1,CHEMBL478822,7.82
+N#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)nc1N,CHEMBL469004,7.47
+N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)nc1N,CHEMBL513867,8.15
+COc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC,CHEMBL468831,7.18
+N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N,CHEMBL467387,7.85
+Cc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1,CHEMBL467386,7.19
+N#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccco2)nc1N,CHEMBL468229,6.57
+N#Cc1c(-c2ccc(O)cc2)cc(-c2ccco2)nc1N,CHEMBL467366,7.27
+N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccco2)nc1N,CHEMBL513320,7.96
+COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1OC,CHEMBL502105,6.6
+COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1,CHEMBL468556,7.47
+N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)nc1N,CHEMBL513519,7.17
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccco2)nc1N,CHEMBL468555,7.32
+Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1,CHEMBL444953,7.0
+N#Cc1c(-c2ccco2)cc(-c2ccco2)nc1N,CHEMBL506250,7.92
+N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1N,CHEMBL476298,7.66
+N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1N,CHEMBL476310,7.54
+N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1N,CHEMBL476308,7.92
+N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1N,CHEMBL476311,7.55
+N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1N,CHEMBL455264,7.37
+N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N,CHEMBL447192,8.24
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1,CHEMBL508786,7.98
+CC(=O)Nc1cc(N2CCC[C@@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1,CHEMBL457573,7.19
+CCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1,CHEMBL469488,7.19
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1,CHEMBL521082,7.16
+COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(-n2nc(C)cc2C)n1,CHEMBL482011,7.04
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1,CHEMBL446738,6.9
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1,CHEMBL480443,6.82
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458224,6.79
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2cccs2)n1,CHEMBL510696,6.69
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1,CHEMBL521081,6.67
+CCCC1CCN(c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)C1,CHEMBL456051,6.65
+COCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL516168,6.49
+CC(=O)Nc1cc(N2CCc3ccccc3C2)nc(-n2nc(C)cc2C)n1,CHEMBL456287,6.49
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2cccs2)n1,CHEMBL456068,6.49
+COC[C@H]1C[C@H](OC)CN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL455848,6.45
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1,CHEMBL456069,6.45
+COC[C@H]1C[C@@H](OC)CN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL455849,6.21
+CC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1,CHEMBL515992,6.04
+COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1,CHEMBL480444,6.02
+CC(=O)Nc1cc(N2CCCC2C)nc(-n2nc(C)cc2C)n1,CHEMBL456073,5.98
+COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1,CHEMBL481817,5.89
+CC(=O)Nc1cc(N2CCC[C@H]2CO)nc(-n2nc(C)cc2C)n1,CHEMBL515344,5.81
+COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458232,5.79
+COC[C@H]1CCCN1c1cc(N)nc(-n2nc(C)cc2C)n1,CHEMBL482213,5.61
+COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515190,5.53
+CC(=O)Nc1cc(N2CCCCC2)nc(-n2nc(C)cc2C)n1,CHEMBL457578,5.47
+CCOCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL456271,5.38
+CCN(CC)c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL445755,5.35
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515192,5.35
+COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515218,5.33
+CC(=O)Nc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1,CHEMBL519952,5.31
+CC(=O)Nc1cc(N2CCOCC2)nc(-n2nc(C)cc2C)n1,CHEMBL457579,5.09
+CC(=O)Nc1cc(N2CCC[C@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1,CHEMBL459098,4.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,CHEMBL490262,7.17
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O,CHEMBL450826,7.1
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519813,5.74
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482436,5.65
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,5.96
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520297,5.74
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,5.68
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484900,5.64
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486479,5.25
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL519390,5.64
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,5.58
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482648,5.42
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,6.35
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,5.93
+COC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL489175,5.8
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL491416,6.06
+CON(C)C(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL521621,6.6
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL491616,5.32
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL490403,6.0
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O,CHEMBL522111,5.18
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL490605,5.52
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21,CHEMBL523797,5.51
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21,CHEMBL490606,5.75
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21,CHEMBL490607,5.95
+COc1ccc(OC)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL490405,5.52
+COc1ccc(O)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL522434,5.95
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc21,CHEMBL489795,5.75
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,CHEMBL457015,6.62
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL507754,7.2
+CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O,CHEMBL516154,7.08
+CCCn1c(=O)c2c(cc(-c3ccccc3)n2O)n(CCC)c1=O,CHEMBL457441,7.6
+CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O,CHEMBL289413,7.47
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O,CHEMBL456125,7.1
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL409514,7.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O,CHEMBL506179,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201145,7.68
+CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12,CHEMBL461432,8.24
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL500569,6.28
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL522856,6.1
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O,CHEMBL494086,6.07
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O,CHEMBL509055,5.84
+CNc1ncnc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL493888,5.97
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL522152,7.725
+CC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1,CHEMBL460384,5.91
+CC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL516948,5.89
+O=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1,CHEMBL516871,5.84
+CC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460172,5.62
+O=C(c1ccccc1)c1sc(NCc2cccs2)nc1-c1ccco1,CHEMBL456457,5.52
+CN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL508555,5.47
+O=C(c1ccccc1)c1sc(NCCc2ccc3c(c2)OCO3)nc1-c1ccco1,CHEMBL456455,5.46
+CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL461665,5.45
+O=C(c1ccccc1)c1sc(NC2CCN(Cc3ccccc3F)CC2)nc1-c1ccco1,CHEMBL452203,5.43
+COC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460171,5.4
+O=C(c1ccccc1)c1sc(NCCCc2ccccc2)nc1-c1ccco1,CHEMBL457103,5.2
+COCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460170,5.17
+CN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL456033,5.02
+COc1cccc(-n2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL475146,6.4
+COc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21,CHEMBL475147,6.35
+COc1cc(OC)cc(-n2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL515877,5.33
+COc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c2nc(NC3CC3)ncc21,CHEMBL474747,6.22
+COc1ccccc1Cn1c(=O)n(-c2cccc(C)c2)c2nc(NC3CC3)ncc21,CHEMBL472951,5.73
+COc1ccccc1Cn1c(=O)n(-c2cccc(OC(F)(F)F)c2)c2nc(NC3CC3)ncc21,CHEMBL515088,5.29
+COc1ccccc1Cn1c(=O)n(-c2cccc(C#N)c2)c2nc(NC3CC3)ncc21,CHEMBL472952,5.49
+COc1cccc(-n2c(=O)n(Cc3ccccc3)c3cnc(NC4CC4)nc32)c1,CHEMBL490723,6.25
+COc1cccc(-n2c(=O)n(Cc3ccccc3F)c3cnc(NC4CC4)nc32)c1,CHEMBL521742,6.7
+COc1cccc(-n2c(=O)n(Cc3ccccc3Cl)c3cnc(NC4CC4)nc32)c1,CHEMBL489120,5.55
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC4CC4)nc32)c1,CHEMBL489126,6.63
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL489321,6.48
+COc1cccc(-n2c(=O)n(-c3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL522628,5.9
+CNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491317,5.95
+CCNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491318,5.98
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC(C)C)nc32)c1,CHEMBL491321,6.21
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccccc4)nc32)c1,CHEMBL522462,5.53
+COCCNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491310,5.83
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC4CCCC4)nc32)c1,CHEMBL491311,5.98
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCC4CC4)nc32)c1,CHEMBL523815,5.97
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccccn4)nc32)c1,CHEMBL464928,5.92
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccncc4)nc32)c1,CHEMBL465338,5.92
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4cccnc4)nc32)c1,CHEMBL516556,5.89
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCc4ccccn4)nc32)c1,CHEMBL465538,5.74
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(Nc4cccnc4)nc32)c1,CHEMBL491097,5.74
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCN4CCOCC4)nc32)c1,CHEMBL521785,5.07
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCN(C)C)nc32)c1,CHEMBL491285,5.0
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCc4cccs4)nc32)c1,CHEMBL522268,5.71
+CCN(CC)CCOc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OC,CHEMBL519726,4.37
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OCCN(C)C,CHEMBL486720,4.87
+COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN1CCCC1,CHEMBL486719,4.95
+CN(C)CCOc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL488151,6.1
+CCN(CC)CCOc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL488152,4.85
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCCCC4)c3)nc2n(C)c1=O,CHEMBL488366,5.68
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCOCC4)c3)nc2n(C)c1=O,CHEMBL488367,5.68
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCCC4)c3)nc2n(C)c1=O,CHEMBL486316,5.8
+COc1ccc(-n2nc3c(NC(=O)NCc4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL484112,5.38
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL508203,7.91
+COc1ccc(-n2nc3c(NS(=O)(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL482701,5.57
+COc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1,CHEMBL526134,6.11
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1,CHEMBL502005,5.62
+Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)o1,CHEMBL516966,6.3
+CCCn1c(=O)c2c([nH]c3nc(-c4ccccc4)cn32)n(CCC)c1=O,CHEMBL526122,6.43
+CC(C)Cn1c(=O)c2c([nH]c3nc(-c4ccccc4)cn32)n(CC(C)C)c1=O,CHEMBL520767,6.32
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]nc4c3)c2n1,CHEMBL442670,6.54
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]cc4c3)c2n1,CHEMBL512812,6.72
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,CHEMBL468256,7.57
+CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL511413,5.6
+CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL510134,7.4
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1,CHEMBL516770,6.6
+CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL459322,7.3
+CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL518364,7.59
+Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL447664,7.17
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1,CHEMBL517886,6.92
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1,CHEMBL516800,6.72
+NCc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460976,5.31
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460975,6.72
+Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461008,6.88
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1,CHEMBL516483,7.2
+Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1,CHEMBL506101,7.11
+Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1,CHEMBL460799,6.93
+Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1,CHEMBL461650,7.11
+Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1,CHEMBL517277,5.93
+Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1,CHEMBL449596,6.03
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1,CHEMBL462501,5.95
+CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460805,5.95
+CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460596,6.13
+NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518178,6.15
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL461656,5.38
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1,CHEMBL506511,6.5
+COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517429,6.98
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL505977,6.11
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL508451,6.64
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL517418,6.4
+N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL461007,6.13
+N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517417,6.88
+COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518497,7.11
+COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL443665,6.5
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1,CHEMBL461649,7.0
+Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461651,7.35
+Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL516611,6.74
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1,CHEMBL462488,7.12
+Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1,CHEMBL467246,7.38
+Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1,CHEMBL467245,7.01
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1,CHEMBL513661,6.93
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1,CHEMBL467244,6.96
+Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1,CHEMBL467035,6.64
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1,CHEMBL507426,7.08
+Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467867,6.05
+Nc1nc(-c2cn[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467655,5.53
+Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL511405,6.81
+Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL468701,6.22
+Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1,CHEMBL449469,7.07
+Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1,CHEMBL505787,6.69
+Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL508558,6.26
+Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL461858,5.78
+Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1,CHEMBL461857,7.72
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL517278,6.98
+Nc1nc(-c2ccco2)c2n[nH]nc2n1,CHEMBL459312,5.44
+COc1ccc(-n2nc3c(=O)[nH]c4ncccc4n3c2=O)cc1,CHEMBL475791,6.94
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477444,9.23
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477445,8.81
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O,CHEMBL449575,9.29
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@@H]1O,CHEMBL514541,8.79
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL515330,7.55
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL478071,7.89
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL477665,8.04
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL514701,8.04
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477666,7.19
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477667,6.59
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL523934,5.77
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL489226,5.67
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL489428,5.97
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL489628,5.53
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL489638,6.6
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL522095,8.39
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL489639,8.16
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL489640,9.27
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL490250,9.15
+Nc1ncnc2nc(Br)[nH]c12,CHEMBL65747,4.48
+Cn1cnc2c(N)ncnc21,CHEMBL65976,4.92
+Cn1c(Br)nc2c(N)ncnc21,CHEMBL510288,6.24
+CCn1cnc2c(N)ncnc21,CHEMBL304009,5.13
+CCn1c(Br)nc2c(N)ncnc21,CHEMBL468633,6.55
+CCCn1cnc2c(N)ncnc21,CHEMBL475023,5.03
+CCCn1c(Br)nc2c(N)ncnc21,CHEMBL506450,5.96
+CC(C)n1cnc2c(N)ncnc21,CHEMBL67199,5.37
+CC(C)n1cnc2ncnc(N)c21,CHEMBL448396,4.7
+CC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL446264,6.08
+CCC(C)n1cnc2c(N)ncnc21,CHEMBL466044,4.47
+CCC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL509367,5.51
+CC(C)Cn1c(Br)nc2c(N)ncnc21,CHEMBL474207,5.31
+CCCCn1c(Br)nc2c(N)ncnc21,CHEMBL505089,5.49
+C=CCCn1c(Br)nc2c(N)ncnc21,CHEMBL508561,5.31
+C=CCn1c(Br)nc2c(N)ncnc21,CHEMBL506888,5.08
+Nc1ncnc2c1ncn2C1CCC1,CHEMBL455493,5.06
+Nc1ncnc2c1nc(Br)n2C1CCC1,CHEMBL515419,5.66
+Nc1ncnc2c1ncn2C1CCCC1,CHEMBL294590,5.0
+Nc1ncnc2c1nc(Br)n2C1CCCC1,CHEMBL449924,6.0
+Nc1ncnc2c1nc(Br)n2C1CCCCC1,CHEMBL516238,5.34
+Nc1ncnc2c1ncn2CCO,CHEMBL95897,4.54
+Nc1ncnc2c1nc(Br)n2CCO,CHEMBL474058,5.82
+Nc1ncnc2c1nc(Br)n2CCCO,CHEMBL475455,6.0
+CC(O)Cn1cnc2c(N)ncnc21,CHEMBL504495,4.54
+CC(O)Cn1c(Br)nc2c(N)ncnc21,CHEMBL475617,5.54
+Nc1ncnc2c1nc(Br)n2CC(O)CO,CHEMBL505633,4.8
+Nc1ncnc2c1nc(Br)n2Cc1ccccc1,CHEMBL151071,5.17
+Nc1ncnc2c1nc(Br)n2CCc1ccccc1,CHEMBL503376,4.92
+Nc1nc(NC(=O)c2ccccc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL557624,5.69
+Nc1nc(NC(=O)c2ccncc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL540156,5.7
+Nc1nc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL562421,6.51
+COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-],CHEMBL563034,6.11
+Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL561163,6.53
+Nc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL551177,5.45
+COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-],CHEMBL564224,6.05
+Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1,CHEMBL538629,7.24
+Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1,CHEMBL557084,7.27
+Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1,CHEMBL550636,7.41
+Nc1nc(C(=O)NCc2ccc(F)cc2)cc(-c2ccco2)n1,CHEMBL561244,6.85
+Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1,CHEMBL560904,7.14
+Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL554623,7.91
+Nc1nc(C(=O)NCc2ccc(Cl)cc2)cc(-c2ccco2)n1,CHEMBL552511,7.1
+Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL551368,7.14
+Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL553449,7.42
+Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL557696,6.99
+COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL556083,7.46
+COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL549477,7.33
+COc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL561645,6.8
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1,CHEMBL549885,6.91
+Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1,CHEMBL571672,6.91
+Nc1nc(C(=O)NCc2ccncc2)cc(-c2ccco2)n1,CHEMBL564142,5.87
+Nc1nc(C(=O)NCc2ccco2)cc(-c2ccco2)n1,CHEMBL558291,6.67
+Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL551373,6.88
+Nc1nc(C(=O)NCc2cccc(CO)n2)cc(-c2ccco2)n1,CHEMBL538949,6.59
+COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL564473,7.38
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL561855,5.97
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL549352,6.1
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL549563,5.61
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL561976,5.94
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL558891,5.65
+CCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12,CHEMBL555047,6.04
+CCCOc1cncc2[nH]c3c(=O)n(CCC)c(=O)n(CCC)c3c12,CHEMBL559990,6.46
+CCCn1c(=O)c2[nH]c3cccnc3c2n(CCC)c1=O,CHEMBL550313,6.88
+CCCn1c(=O)c2[nH]c3cnccc3c2n(CCC)c1=O,CHEMBL554967,5.85
+Cn1c(=O)c2[nH]c3cccnc3c2n(C)c1=O,CHEMBL541185,6.42
+Cn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O,CHEMBL569844,4.93
+Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578224,6.86
+Cn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574323,5.84
+CC(C)CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577588,6.36
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576351,7.07
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL573780,6.94
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573771,7.07
+CCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572906,6.89
+CCCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573360,6.42
+Cn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL583960,6.39
+CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574775,7.1
+CCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573593,6.21
+Cn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573594,5.73
+CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572654,6.25
+COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576538,6.88
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576567,6.85
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575205,7.24
+O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575197,7.73
+O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572419,7.64
+CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL572653,6.22
+CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL578008,6.73
+CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575198,6.81
+CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573779,6.83
+Cn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573807,6.35
+Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576369,6.34
+Cn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL575204,6.72
+Cn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575825,6.06
+CCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL576018,6.41
+CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL577135,6.8
+CCCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575386,6.77
+Cn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575604,6.11
+CCCCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL574489,7.15
+CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572601,7.59
+Cn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577162,6.02
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576185,7.86
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573327,7.65
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572386,7.88
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574263,7.32
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578005,7.29
+Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574483,6.13
+CC(C)CCn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL573089,6.92
+Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL574490,6.04
+O=C(Cc1ccc(F)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL574484,6.14
+O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL575855,6.51
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575605,6.62
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576017,6.22
+O=C(Cc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573088,6.59
+O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576153,7.15
+O=C(Cc1c(Cl)cccc1Cl)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL578649,6.1
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572602,5.93
+CCC(=O)N(c1ccc(C(C)NC(=O)[C@H]2O[C@@H](c3nc4ncnc(NC5CCCC5)c4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL572393,6.1
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573950,4.27
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL574602,4.48
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573032,4.99
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573269,5.27
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL575027,5.06
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL576395,6.96
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL582921,5.63
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(F)nc21,CHEMBL568307,6.29
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL567412,6.08
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21,CHEMBL583862,5.8
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL567226,6.59
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL583637,6.15
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL565678,6.32
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583132,6.34
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611359,8.32
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596042,8.27
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL606630,8.2
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL596460,8.18
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596014,8.03
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL594619,7.48
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594625,7.63
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608680,7.16
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL595569,7.31
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603424,6.8
+Cc1cccc(CNC(=O)[C@H]2S[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)c1,CHEMBL596027,5.39
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(F)c2)nc(N)n1,CHEMBL593975,7.51
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2cccc(F)c2)n1,CHEMBL593986,7.42
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1,CHEMBL595132,7.42
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2F)nc(N)n1,CHEMBL593973,7.42
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2cccc(Cl)c2)n1,CHEMBL608980,7.4
+Nc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1,CHEMBL609603,7.39
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2F)n1,CHEMBL611954,7.32
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1,CHEMBL594907,7.25
+Cc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1,CHEMBL609308,7.24
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2)n1,CHEMBL595845,7.18
+Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL593259,7.17
+Cc1ccc(-c2cc(C(=O)NCc3cscn3)nc(N)n2)o1,CHEMBL611048,7.14
+Cc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1,CHEMBL611944,7.13
+Cc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL610738,7.11
+Cc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)cc1,CHEMBL594226,7.08
+Cc1ccc(-c2cc(C(=O)NCc3ccc(C)c(C)n3)nc(N)n2)o1,CHEMBL611020,7.05
+Cc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)o1,CHEMBL608102,7.05
+Cc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1,CHEMBL593508,7.03
+Cc1cccnc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL594676,7.01
+Cc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)c1,CHEMBL594000,6.99
+Cc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL593999,6.98
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1,CHEMBL596088,6.93
+Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL609578,6.88
+CNc1nc(C(=O)NCc2ccccn2)cc(-c2ccc(C)o2)n1,CHEMBL607542,6.82
+Cc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1,CHEMBL611335,6.78
+Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1,CHEMBL594136,6.76
+COc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1,CHEMBL594137,6.7
+COc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL594905,6.69
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1,CHEMBL608383,6.65
+Nc1nc(C(=O)NCc2ccccn2)nc(-c2ccco2)n1,CHEMBL607539,6.65
+COc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL595131,6.6
+Cc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1,CHEMBL596308,6.57
+Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1,CHEMBL594455,6.57
+COc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)cc1,CHEMBL595863,6.56
+CCCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL594454,6.56
+Cc1cc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)no1,CHEMBL595365,6.52
+Cc1ccc(-c2nc(N)nc(C(=O)NCc3ccccn3)c2C)o1,CHEMBL596307,6.5
+Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1,CHEMBL594363,6.43
+CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL603748,6.41
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1,CHEMBL594906,6.4
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(C#N)c2)nc(N)n1,CHEMBL596075,6.4
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2Cl)n1,CHEMBL593058,6.39
+Nc1nc(C(=O)NCc2cccnc2)nc(-c2ccco2)n1,CHEMBL595843,6.39
+CCc1c(C(=O)NCc2ccccn2)nc(N)nc1-c1ccc(C)o1,CHEMBL595364,6.36
+Cc1csc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)n1,CHEMBL595174,6.33
+COc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1,CHEMBL596291,6.32
+N#Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL609304,6.3
+CCc1c(C(=O)NCc2ncccc2C)nc(N)nc1-c1ccc(C)o1,CHEMBL611955,6.3
+Cc1ccc(-c2nc(N)nc(C(=O)NCc3ncccc3C)c2C)o1,CHEMBL594197,6.24
+Nc1nc(C(=O)NCc2ccncc2)nc(-c2ccco2)n1,CHEMBL595844,6.23
+COCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)n1,CHEMBL593746,6.23
+COc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL595363,6.14
+Cc1cccnc1CNC(=O)c1cc(N)nc(-c2ccco2)c1,CHEMBL608100,6.04
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(C(C)C)n2)o1,CHEMBL593749,5.96
+Cc1cccnc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL594662,5.95
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2C#N)nc(N)n1,CHEMBL596074,5.94
+Cc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL611337,5.92
+COc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL607550,5.91
+Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL595405,5.86
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N(C)C)n2)o1,CHEMBL595864,5.85
+N#Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL608093,5.78
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1,CHEMBL595146,5.59
+Cc1nc(C(=O)NCc2ccccn2)cc(-c2ccc(C)o2)n1,CHEMBL595147,5.38
+CCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL593040,5.1
+CCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL611964,5.04
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCS(=O)(=O)CC)c1=O,CHEMBL597973,7.03
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCS(=O)CC)c1=O,CHEMBL599817,6.71
+CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O,CHEMBL597560,6.92
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O,CHEMBL597559,7.0
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O,CHEMBL603878,7.02
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O,CHEMBL597354,6.41
+CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2cccs2)c1=O,CHEMBL592653,6.39
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O,CHEMBL597955,6.17
+Cn1c(=O)c2[nH]c(-c3cccs3)nc2n(CC2CCCCC2)c1=O,CHEMBL597580,6.66
+CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL597169,6.83
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC2CCCO2)c1=O,CHEMBL597167,6.65
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O,CHEMBL598819,7.03
+Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL592679,7.24
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1,CHEMBL591710,7.27
+CCCn1c(=O)c2c(ncn2CCN(CC)CCO)n(CCc2ccc(N)cc2)c1=O,CHEMBL591235,9.24
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,9.0
+O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O,CHEMBL292917,7.92
+C=CCCCCCCCCCOCCOCCOCCOCCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL591242,5.3
+CCCn1c(=O)c2[nH]c(-c3ccccc3OCC(N)=O)nc2n(CCC)c1=O,CHEMBL589288,7.63
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1081811,6.45
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1081812,7.09
+O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1081971,6.03
+O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1,CHEMBL1076562,6.55
+N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1,CHEMBL1079801,6.54
+O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1,CHEMBL1079803,6.6
+O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1,CHEMBL1079804,6.43
+Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1,CHEMBL1082005,7.6
+O=C(Nc1ccc(-c2ccncc2)c(-c2nccs2)n1)C1CC1,CHEMBL1082006,6.04
+O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1,CHEMBL1082171,6.49
+O=C(Nc1ccc(-c2ccncc2)c(-c2ncco2)n1)C1CC1,CHEMBL1080500,6.15
+O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1,CHEMBL1080676,6.2
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1082028,6.91
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1,CHEMBL1076587,7.85
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1,CHEMBL1082208,7.24
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1,CHEMBL1081038,7.46
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1081039,6.03
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1,CHEMBL1081041,6.47
+O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1080513,5.76
+c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1,CHEMBL1080512,6.6
+O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1080497,7.09
+c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1,CHEMBL1080327,6.14
+c1coc(-c2nc3n[nH]cc3cc2-c2ccncn2)c1,CHEMBL1082002,6.32
+Nc1[nH]nc2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1082001,6.45
+Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21,CHEMBL1081841,5.61
+O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1076563,6.5
+Cn1cc2c(nc(N)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091031,6.47
+Cn1cc2c(nc(N)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1090489,6.0
+Cn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1090810,5.31
+Cn1cc2c(nc(N)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1090811,5.54
+COc1ccc(-c2nc3c4cn(C)nc4nc(N)n3n2)cc1,CHEMBL1090812,5.01
+CCn1ncc2c1nc(N)n1nc(-c3ccc(Cl)cc3)nc21,CHEMBL1093430,6.92
+CCn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1089131,5.8
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1093431,7.13
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1093432,7.41
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1089887,6.69
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Br)cc3)nn12,CHEMBL1089902,6.3
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(N)n3n2)cc1,CHEMBL1089903,6.54
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1089904,6.21
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1091134,5.6
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12)c1ccccc1,CHEMBL1093202,6.5
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Br)cc3)nn12)c1ccccc1,CHEMBL1091267,6.57
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091268,6.25
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1091640,5.64
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1091641,5.31
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1091937,4.61
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1090461,4.63
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090687,6.182
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090683,6.808
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090684,6.45
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090682,6.358
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090681,6.48
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090680,6.227
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090688,5.872999999999999
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090686,6.19
+Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,CHEMBL1090685,6.405
+CCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1093271,10.02
+CCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1093270,6.64
+CCCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1092270,6.83
+C=CCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1092271,7.72
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1,CHEMBL1090575,7.32
+Fc1ccc(-n2c(=S)sc3c2ncn2nc(-c4ccco4)nc32)cc1,CHEMBL1090576,8.49
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(Cl)cc1,CHEMBL1090577,10.52
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1cccc(Cl)c1,CHEMBL1090578,9.72
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1I,CHEMBL1093018,9.4
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(I)cc1,CHEMBL1093203,8.21
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1cccc(I)c1,CHEMBL1093479,8.58
+Cc1cn2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL146479,6.46
+O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1,CHEMBL1094143,7.28
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1,CHEMBL1098075,7.57
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1094132,6.54
+Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1094987,6.51
+Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL1096754,6.48
+Cn1cc2c(N)nc(-c3ccccc3)nc2n1,CHEMBL1096753,6.23
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1cccc(Cl)c1,CHEMBL1096409,5.98
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1,CHEMBL1098108,5.98
+Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(-c3ccccc3)nc2n1,CHEMBL1098109,5.97
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(CCc4ccccc4)cc23)cc1,CHEMBL1097050,5.62
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1096410,5.77
+Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1097737,5.6
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL515442,6.92
+CN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088259,6.68
+CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088260,7.02
+CCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088261,7.34
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)NCCN3CCOCC3)ccc1C2=O,CHEMBL1088393,6.67
+CN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1086804,6.59
+CC(C)N1CCC(NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087183,6.92
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)N3CCNCC3)ccc1C2=O,CHEMBL1087184,7.91
+CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087185,7.23
+CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1086697,7.0
+CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087084,7.17
+CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1087085,6.72
+CC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087086,7.08
+CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088710,7.48
+CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O,CHEMBL1087998,7.43
+CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087999,6.99
+CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O,CHEMBL1088132,6.38
+CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O)C(C)C,CHEMBL1094721,6.73
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O,CHEMBL1095487,6.71
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O,CHEMBL1095488,7.32
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O,CHEMBL1095489,6.69
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O,CHEMBL1095490,6.8
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3C4CCC3CC4)ccc1C2=O,CHEMBL1094846,6.47
+CN(C)CCN(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1098457,7.24
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O,CHEMBL1098458,7.9
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccccn3)ccc1C2=O,CHEMBL1098765,7.81
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCOCC3)ccc1C2=O,CHEMBL1095172,7.49
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O,CHEMBL1095811,7.33
+CCN1CCC(Nc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1095812,6.85
+CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1095813,7.79
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCOCC3)ccc1C2=O,CHEMBL1095822,7.49
+CN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1096134,7.45
+CCN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1094244,6.59
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCN(CC4CC4)CC3)ccc1C2=O,CHEMBL1094547,6.6
+CN1CCCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1094548,6.86
+CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C,CHEMBL1087080,6.33
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O,CHEMBL1087081,6.22
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCCCC3)ccc1C2=O,CHEMBL1087727,6.94
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCC(=O)CC3)ccc1C2=O,CHEMBL1099028,7.14
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O,CHEMBL1088247,8.74
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,CHEMBL1099368,7.77
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,CHEMBL1088533,7.18
+CN(C)CCN(C)Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088683,7.7
+Nc1nc(-c2ccco2)c2c(n1)-c1ccccc1C2=O,CHEMBL1095999,9.4
+Nc1nc(-c2ccc(Cl)o2)c2c(n1)-c1ccccc1C2=O,CHEMBL1097494,9.3
+CN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1,CHEMBL1097495,7.4
+Nc1nc(-c2cccs2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086846,8.49
+Nc1nc(-c2nccs2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086847,8.16
+Nc1nc(-c2ccncc2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086977,7.79
+Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O,CHEMBL369573,8.96
+Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O,CHEMBL1096998,7.94
+COc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1,CHEMBL1086978,8.6
+COc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2,CHEMBL1087869,6.76
+CN(C)CCN(C)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087699,6.92
+CCN(CC)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087700,6.97
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCCC3)cccc1C2=O,CHEMBL1087701,7.39
+CN1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087702,7.03
+CC(=O)N1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087819,7.47
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCCCC3)cccc1C2=O,CHEMBL1087820,7.02
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O,CHEMBL1087462,7.48
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O,CHEMBL1087463,6.81
+N#Cc1cccc(-c2nc(N)nc3c2C(=O)c2cccc(CN4CCOCC4)c2-3)c1,CHEMBL1087708,7.12
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,CHEMBL1087709,6.94
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,CHEMBL1087710,7.07
+CC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087711,6.85
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccco3)ccc1C2=O,CHEMBL1087714,7.9
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccccn3)ccc1C2=O,CHEMBL1088235,7.58
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O,CHEMBL1088236,7.69
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O,CHEMBL1088237,7.02
+CN1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1088665,7.06
+CN1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1087726,6.65
+CC1(C)c2ccc(NC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL1097549,7.0
+CC1(C)NC(C)(C)c2cc(NC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21,CHEMBL1098183,6.54
+CC1(C)c2ccc(CNC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL1098184,5.94
+CC1(C)CC(NC2N=CNc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1[O],CHEMBL1094353,7.3
+CC1(C)CC(NC2N=CNc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1,CHEMBL1098507,5.8
+CC(C)(C)c1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C(C)(C)C)c1[O],CHEMBL1098520,6.82
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098521,6.1
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)NC5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099126,5.93
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099127,5.89
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC(C)(C)N([O])C(C)(C)C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099128,5.72
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC(C)(C)NC(C)(C)C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099129,6.02
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC4CC(C)(C)N([O])C4(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098400,6.24
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4cc(C(C)(C)C)c([O])c(C(C)(C)C)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098715,6.21
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(C(C)(C)C)c([O])c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094994,6.61
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094995,6.61
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094996,7.58
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5ccc6c(c5)C(C)(C)N([O])C6(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094997,7.27
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094998,6.98
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094999,6.89
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1095000,7.11
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(NC(=O)CCC(=O)NCCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1095001,7.38
+COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170518,5.8
+COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171898,7.18
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171897,7.18
+COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171718,7.43
+COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172269,7.38
+COc1ccc(N(C(C)=O)C(F)F)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172268,7.52
+COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172267,6.35
+COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171524,7.0
+COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171526,6.96
+COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171525,7.64
+COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170295,5.59
+COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170526,6.25
+CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1170525,6.1
+COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170131,5.8
+CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1170130,7.52
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12,CHEMBL1170129,6.41
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12,CHEMBL1169934,7.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12,CHEMBL1172274,6.73
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12,CHEMBL1170137,6.96
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12,CHEMBL1172277,6.39
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12,CHEMBL1172276,6.4
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12,CHEMBL1172275,6.82
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12,CHEMBL1171349,6.89
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12,CHEMBL1170136,7.11
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12,CHEMBL1170135,6.52
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12,CHEMBL1170134,6.8
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12,CHEMBL1172442,6.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12,CHEMBL1170583,6.92
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc12,CHEMBL1170582,6.73
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCC4)cc3)sc12,CHEMBL1171200,7.3
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12,CHEMBL1170367,7.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12,CHEMBL1170519,7.46
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12,CHEMBL1171164,8.22
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12,CHEMBL1171165,8.05
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O,CHEMBL1170166,7.12
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1=O,CHEMBL1170167,8.76
+COc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL1171379,6.74
+Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL1210734,5.53
+CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222145,7.02
+CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222242,7.04
+Cc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)no1,CHEMBL1222246,6.11
+Cc1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)no1,CHEMBL1222303,6.82
+Cc1nc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)no1,CHEMBL1222304,7.09
+Cc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1,CHEMBL1222306,6.59
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccco1,CHEMBL1222369,6.64
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)C1CC1,CHEMBL1222370,6.51
+CC(C)CC(=O)Nc1nc(-c2ccccc2)c(-c2ncon2)s1,CHEMBL1222371,7.11
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccccc1,CHEMBL1222372,6.52
+O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ncon2)s1,CHEMBL1222373,5.77
+Cc1noc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL1221455,6.57
+CC(=O)Nc1nc(-c2ccccc2)c(-c2nc(C)no2)s1,CHEMBL1221456,6.43
+Cc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1,CHEMBL1221457,7.39
+Cc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1,CHEMBL1221458,7.57
+Cc1noc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221459,6.74
+Cc1noc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221504,6.47
+CCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL1221505,6.19
+CCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1,CHEMBL1221506,6.68
+CCn1nnc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221508,5.92
+CCn1nnc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2-c2ccccc2)n1,CHEMBL1222587,5.8
+CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222241,7.05
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O,CHEMBL3217142,7.77
+Cc1nc2c(=S)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1278104,6.57
+CCc1nc2c(=O)n(Cc3ccccc3)nc(-c3cccnc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1278011,6.74
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3cccnc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1278010,7.32
+CC(C)c1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277926,6.72
+CCCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277925,7.55
+CCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277846,7.14
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277845,7.36
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2cccnc2)nn1Cc1ccccc1,CHEMBL1277116,7.94
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2ccncc2)nn1Cc1ccccc1,CHEMBL1277025,7.99
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3cccc(F)c3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277667,5.49
+CCCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277480,6.25
+CCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277390,5.61
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277302,5.8
+O=c1c2ncn3nc(-c4ccsc4)cc3c2c(-c2cccc(F)c2)nn1Cc1ccccc1,CHEMBL1277024,6.72
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2cccc(F)c2)nn1Cc1ccccc1,CHEMBL1276939,7.03
+O=c1c2ncn3nc(-c4ccsc4)cc3c2c(-c2ccc(F)cc2)nn1Cc1ccccc1,CHEMBL1276938,6.91
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2ccc(F)cc2)nn1Cc1ccccc1,CHEMBL1276852,6.6
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2ccccc2)nn1Cc1ccccc1,CHEMBL1276851,5.84
+Cc1nc2c(=O)n(Cc3ccccc3)nc(Cl)c2c2cc(-c3ccccc3)nn12,CHEMBL1276853,5.79
+CCc1nc2c(=O)n(C(C)c3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12,CHEMBL1277301,5.62
+Cc1nn(C(C)c2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12,CHEMBL1277207,5.51
+Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12,CHEMBL382494,5.49
+Cc1nn(C(C)c2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12,CHEMBL1278194,6.32
+Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12,CHEMBL1278102,7.07
+Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12,CHEMBL213425,6.98
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1277040,5.41
+CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O,CHEMBL1290543,6.09
+COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C,CHEMBL1290544,5.44
+COCCCNC(=O)COc1ccc2[nH]c(=O)c(-c3ccc(F)cc3F)c(CCc3ccccc3)c2c1,CHEMBL1290663,5.22
+COCCCNC(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1,CHEMBL1290781,4.98
+Cn1c(=O)c(S(C)(=O)=O)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21,CHEMBL1290782,6.8
+Cn1c(=O)c(-c2ccc(F)cc2F)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21,CHEMBL1289108,5.15
+CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O,CHEMBL1289228,5.87
+CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1,CHEMBL1289343,6.22
+N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O,CHEMBL1289344,5.96
+O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1,CHEMBL1289461,6.36
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1,CHEMBL1290436,7.0
+O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1,CHEMBL1290435,5.49
+O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1,CHEMBL1290322,7.17
+CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290323,7.17
+C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290210,7.82
+C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290209,6.77
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290101,7.72
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1,CHEMBL1290001,7.89
+CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1,CHEMBL1289462,5.76
+CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1289569,8.07
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1,CHEMBL1289676,8.21
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1289778,5.86
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1287832,6.3
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290002,6.42
+Cc1cc(-c2c(CCc3ccccc3)c3cc(OCC(=O)NC(C)(C)c4ccccc4)ccc3[nH]c2=O)on1,CHEMBL1290102,7.92
+Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12,CHEMBL1290103,5.41
+CS(=O)(=O)c1c(-c2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O,CHEMBL1290211,5.07
+CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12,CHEMBL1290212,5.22
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1,CHEMBL1290324,5.95
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1,CHEMBL1290325,6.74
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1,CHEMBL1290437,5.94
+CCCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,CHEMBL1650144,5.42
+CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1,CHEMBL1650152,6.3
+CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650164,7.32
+CCCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650165,7.63
+CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650173,6.27
+CCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650174,6.17
+CCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1,CHEMBL1650342,6.59
+CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650347,6.44
+CCCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650348,7.07
+CCC(=O)Nc1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1,CHEMBL1650350,7.43
+CCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650365,7.08
+CCCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650366,7.08
+CCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650371,7.5
+CCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650372,7.73
+CCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1,CHEMBL1650374,6.95
+CCCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1,CHEMBL1650375,7.38
+CC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650379,7.76
+CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650380,8.28
+CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650381,8.01
+CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650384,7.39
+CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650385,7.81
+CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650386,8.11
+CCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650388,7.48
+CCCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650389,7.48
+CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650391,6.88
+CCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650392,7.19
+CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650394,7.4
+CCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650395,7.19
+COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1,CHEMBL1671929,5.96
+Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1,CHEMBL1671924,5.96
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1F,CHEMBL1671935,6.19
+Cc1cc(C(=O)Nc2nccs2)cc(Cl)c1NC(=O)CC(C)(C)C,CHEMBL1671937,6.24
+Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C,CHEMBL1671933,6.34
+CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F,CHEMBL1671936,6.39
+COc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C,CHEMBL1671932,6.47
+COc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F,CHEMBL1671938,6.66
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1,CHEMBL1671923,6.66
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl,CHEMBL1671934,6.68
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1672611,7.26
+CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672612,6.34
+CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672613,7.38
+CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672614,7.74
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1,CHEMBL1672615,7.77
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1,CHEMBL1672616,7.57
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)c1ccc(F)cc1,CHEMBL1672617,5.98
+O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672618,7.01
+Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1,CHEMBL1672619,7.96
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1672620,6.51
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672623,7.6
+O=C(Nc1cnc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1672626,5.65
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672631,6.89
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760892,8.7
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760900,8.3
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760896,8.22
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760895,8.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760894,8.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760899,7.72
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760898,7.7
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760889,7.51
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760884,7.34
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760888,7.21
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760897,7.17
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760893,7.11
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760886,7.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760887,6.92
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760891,6.66
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760885,6.66
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760901,6.16
+Nc1nc2c(cnn2CCCc2ccc(OCCCF)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771804,6.0
+COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771805,5.32
+Nc1nc2c(cnn2CCCc2ccc(OCC(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771806,5.77
+NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771807,5.9
+C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771811,5.96
+Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCNC(=O)CCCCc3cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771812,5.89
+CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)nn1,CHEMBL1770169,5.77
+Nc1nc2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12,CHEMBL1795495,6.85
+Nc1nc2c(O)cccc2c2cn(-c3ccccc3)nc12,CHEMBL1795497,7.0
+Nc1nc2c(Br)cccc2c2cn(-c3ccccc3)nc12,CHEMBL1795496,6.52
+Nc1nc2c(NCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12,CHEMBL1795499,6.34
+Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc12,CHEMBL1795502,6.01
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800733,5.69
+C=CCN1C(=O)N2C[C@@H](C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800734,5.6
+C=CCN1C(=O)N2C[C@H](C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800735,5.71
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800736,6.29
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800738,6.21
+CC[C@@H]1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800739,6.1
+CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800740,6.26
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800782,5.82
+C=CCN1C(=O)N2C[C@@H](CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800783,5.6
+C=CCN1C(=O)N2C[C@H](CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800784,5.97
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2CC(C)N=C32)n(C)n1,CHEMBL1800785,5.72
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2C[C@@H](C)N=C32)n(C)n1,CHEMBL1800786,5.59
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2C[C@H](C)N=C32)n(C)n1,CHEMBL1800787,5.76
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OC)nn4C)nc3C2=N1,CHEMBL1800788,6.39
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OCc4ccccc4)nn3C)[nH]c21,CHEMBL1800790,5.92
+CC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800791,5.59
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800792,5.77
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OC)no3)[nH]c21,CHEMBL1800862,5.52
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OC)no4)nc3C2=N1,CHEMBL1800864,6.31
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1834622,5.26
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834624,4.89
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834628,5.35
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL1834630,5.19
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12)c1ccccc1,CHEMBL1834697,6.4
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1,CHEMBL1834698,6.66
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(NC(=O)c4ccccc4)n3n2)cc1,CHEMBL1834699,6.08
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1834700,6.72
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1834701,6.63
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1770311,6.03
+N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL1544,6.62
+O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,CHEMBL283196,6.18
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.01
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,5.06
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,4.94
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.11
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.78
+COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,CHEMBL9514,4.53
+CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,CHEMBL503,4.81
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.14
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,4.86
+COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12,CHEMBL115769,6.29
+CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,CHEMBL192,6.06
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.76
+CC(C)(C)OC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927422,5.27
+Nc1nc(N2CCCC2)nc2nc(-c3ccco3)nn12,CHEMBL1927423,5.71
+CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927426,5.43
+CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927427,5.41
+CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927428,6.46
+CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927429,6.02
+CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927430,5.8
+Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188897,6.01
+Nc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL368488,5.82
+Nc1nc(N2CCN(Cc3ccc(F)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927431,6.18
+Nc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186322,6.66
+Nc1nc(N2CCN(Cc3ccc(Br)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927432,7.06
+NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927433,6.11
+Nc1nc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927434,6.0
+Nc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927436,5.45
+Nc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927442,6.0
+NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927444,5.87
+NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927446,5.53
+Nc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927447,5.13
+Nc1nc(=O)nc2nc(-c3ccco3)[nH]n12,CHEMBL1927631,5.51
+Nc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927632,5.85
+Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1927634,5.74
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935743,7.0
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935744,7.46
+Nc1nc2cn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935745,8.37
+Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935746,7.74
+COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935747,6.1
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935748,6.13
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935749,6.75
+COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935750,6.68
+Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935751,6.45
+Cn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935752,8.0
+CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935753,7.85
+Nc1nc2cnn(CCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935754,7.48
+Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935755,7.07
+COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935756,6.89
+CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c21,CHEMBL1935757,7.21
+COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935758,6.28
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935760,7.52
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935761,7.66
+Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935762,8.31
+Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935763,8.15
+COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935764,6.03
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935765,6.62
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935766,6.12
+Cn1ncc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3c21,CHEMBL1935768,7.92
+CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1945563,6.13
+CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL1946299,6.54
+CCCC/C=C/c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL1946301,6.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950653,5.97
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950654,5.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950655,5.78
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950656,5.79
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950657,5.72
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950658,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950659,5.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950660,6.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950661,6.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950662,6.26
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950663,5.97
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950664,5.67
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950665,6.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950666,6.46
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955897,6.65
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955898,6.19
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Cl)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955899,6.82
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(OC)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955900,6.12
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Br)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955901,6.55
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955902,6.24
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955903,6.13
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc([N+](=O)[O-])cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955894,6.81
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(=O)OCC)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955904,6.3
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(=O)O)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955905,5.34
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955906,6.16
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955907,5.6
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955908,5.35
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955909,6.68
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955910,6.13
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955914,6.56
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Cl)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955915,7.18
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Br)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955916,7.05
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955917,6.76
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(OC)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955918,6.52
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955919,7.19
+CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O,CHEMBL1955922,6.13
+CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O,CHEMBL1955923,6.85
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O,CHEMBL1955924,7.47
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O,CHEMBL1955925,7.35
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O,CHEMBL1955926,7.26
+COc1cc(F)c(F)cc1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012693,5.72
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc21,CHEMBL2012691,5.9
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc21,CHEMBL2012690,5.45
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3F)nc(Cl)nc21,CHEMBL2012687,5.32
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2012686,7.32
+CC(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2012685,7.06
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CC3)nc(Cl)nc21,CHEMBL2012684,7.16
+CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012683,7.1
+CC(C)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012682,7.14
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCCF)nc(Cl)nc21,CHEMBL2012681,7.14
+CCNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012680,6.03
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012679,6.7
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012678,7.08
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCCC3)nc(Cl)nc21,CHEMBL2012677,6.12
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCC3)nc(Cl)nc21,CHEMBL2012676,6.64
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21,CHEMBL2012675,6.85
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCC3)nc(Cl)nc21,CHEMBL2012674,7.29
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CC3)nc(Cl)nc21,CHEMBL2012673,6.68
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012672,6.46
+Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1,CHEMBL1370747,6.565
+Nc1nnc(-c2cccc(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024111,7.25
+Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024112,7.36
+Cc1cc(C)cc(-c2nnc(N)nc2-c2ccccc2)c1,CHEMBL2024113,6.71
+Nc1nnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024114,9.79
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)c1O,CHEMBL2021950,7.78
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1,CHEMBL2024115,7.07
+Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1,CHEMBL2024116,6.4
+Cc1cc(-c2nnc(N)nc2-c2cc(F)cc(F)c2)cc(C)n1,CHEMBL2024117,6.77
+Cc1cc(-c2nnc(N)nc2-c2cccc(F)c2)cc(C)n1,CHEMBL2024118,6.96
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1,CHEMBL2024119,7.505
+Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1,CHEMBL2024120,6.93
+O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL326752,6.52
+O=c1c(-c2ccccc2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12,CHEMBL2030703,5.87
+Nc1nc(SCCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043295,6.27
+Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043426,6.26
+Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043427,6.39
+COc1cccc2cc(C(N)=O)c(=N)oc12,CHEMBL1990267,6.4
+COCCNC(=O)c1cc2cccc(OC)c2oc1=N,CHEMBL2042077,5.2
+COc1cccc2cc(C(=O)NC3CCCC3)c(=N)oc12,CHEMBL2042058,5.5
+COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12,CHEMBL2042061,5.6
+COC(=O)/C(C#N)=C/c1cccc(OC)c1O,CHEMBL2042091,5.6
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(N)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064658,5.82
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2070398,7.82
+CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1235128,7.92
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCO)[C@@H](O)[C@H]1O,CHEMBL1234591,7.89
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL261482,8.72
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL2070507,8.26
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL2070508,7.57
+CCCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070882,5.55
+C=CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070883,5.47
+C#CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070884,6.1
+Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070885,5.47
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070886,6.15
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070887,5.98
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070888,6.14
+Cc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2070889,5.83
+COc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2070890,5.94
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070891,6.78
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070892,6.43
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4cccnc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070893,5.88
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070894,5.93
+CCOC(=O)CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071038,6.46
+CCNC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071039,5.82
+CC(C)NC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071040,5.88
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071041,6.13
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071042,6.12
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071043,6.09
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071044,6.28
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2069325,6.74
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071045,6.95
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071046,6.39
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071047,6.21
+Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2071048,6.4
+COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2071049,6.2
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071050,5.89
+CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1,CHEMBL2071051,5.95
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccccc3Cl)nc21,CHEMBL2089343,5.56
+Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O,CHEMBL2153627,5.15
+Cn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL2153626,4.99
+Cn1c(=O)c2c(nc3n2CCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153614,5.16
+C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151249,5.96
+C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151250,5.28
+C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151252,5.41
+C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151253,5.43
+CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151255,5.82
+Cc1cccc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151256,5.64
+Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151261,5.8
+C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151262,5.48
+O=C(COCc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151264,5.09
+Cc1ccc(-c2nnc(NC(=O)COc3ccccc3)[nH]2)cc1,CHEMBL2151118,5.19
+CCCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151126,6.1
+O=C(Nc1nnc(-c2ccccc2)[nH]1)C1CCCO1,CHEMBL2151127,5.49
+O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccccc1,CHEMBL2151128,5.72
+Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151129,5.89
+COc1ccccc1C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151131,6.3
+CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O,CHEMBL2165804,8.05
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(F)(F)c3cccnc3)ccc1C2=O,CHEMBL2165803,7.53
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)c3cccnc3)ccc1C2=O,CHEMBL2165802,8.74
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cnccc3Cl)ccc1C2=O,CHEMBL2165801,9.3
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3ccncc3F)ccc1C2=O,CHEMBL2165800,8.6
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cncc(F)c3)ccc1C2=O,CHEMBL2165799,8.22
+N#Cc1cncc(Cc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)c1,CHEMBL2165808,8.28
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O,CHEMBL2165807,8.62
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3C4CCC3CC4)ccc1C2=O,CHEMBL2165806,6.65
+CC1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL2165805,7.43
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,CHEMBL1487093,8.14
+N#Cc1cnc(N)nc1-c1ccccc1,CHEMBL2164819,6.05
+C=CCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O,CHEMBL2164818,5.49
+COc1nc(N)c(C#N)c(-c2ccc3c(c2)OCO3)c1C#N,CHEMBL142641,6.29
+COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163561,7.44
+O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163560,7.6
+NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL1512545,7.98
+O=C(O)c1cnn(-c2nc(NC(C3CC3)C3CC3)c3ncn([C@H]4[C@H](O)[C@H](O)[C@@H]5C[C@@H]54)c3n2)c1,CHEMBL2170799,5.97
+COC(=O)c1cnn(-c2nc(NC(C3CC3)C3CC3)c3ncn([C@H]4[C@H](O)[C@H](O)[C@@H]5C[C@@H]54)c3n2)c1,CHEMBL2170798,6.14
+NNc1nc(NC(C2CC2)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL2170797,6.68
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(I)nc21,CHEMBL2170796,6.31
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)ncnc21,CHEMBL2170795,7.25
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](c3ccccc3)C3CC3)nc(Cl)nc21,CHEMBL2170793,5.52
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170792,6.77
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170791,6.31
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170790,6.92
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170789,6.57
+CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170788,6.82
+CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170787,7.12
+CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170786,6.82
+CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170785,7.17
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170800,6.11
+O=C1NCCC12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2181969,4.92
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1F,CHEMBL2181967,5.33
+CCCN1C(=O)N2CCN=C2c2nc(-c3ccc(Br)cc3)[nH]c21,CHEMBL2181965,5.74
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1625681,5.79
+Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1,CHEMBL2181977,6.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181973,6.49
+O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL88147,6.64
+CNC(=O)[C@]1(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)SC[C@H](O)[C@@H]1O,CHEMBL2177153,6.96
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181970,6.98
+CNc1nc(C#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2181972,7.15
+OC[C@H]1O[C@@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181971,7.85
+Cn1cc2c(nc(NC(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180906,6.77
+Cn1cc2c(nc(N3CCOCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180909,5.62
+CN1CCN(c2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2180908,4.82
+Cn1cc2c(nc(N3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180907,5.67
+Cn1cc2c(nc(N3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180927,6.48
+CCN(CCO)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180926,4.82
+Cn1cc2c(nc(N(Cc3ccccc3)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180925,6.15
+CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180924,6.25
+CN(c1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C1CCCCC1,CHEMBL2180923,5.99
+CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180922,5.48
+CCN(CC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180921,5.84
+CCCCN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180920,5.97
+CN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180919,5.32
+Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180918,6.19
+COCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180917,5.62
+CON=c1[nH]c2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180916,5.56
+Cn1cc2c(nc(NCCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180915,6.32
+Cn1cc2c(nc(NCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180914,6.28
+Cn1cc2c(nc(NCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180913,5.98
+Cn1cc2c(nc(NC(CO)CO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180912,6.19
+CCC(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180911,6.66
+CC(O)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180910,6.43
+Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181143,6.67
+Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181142,6.19
+Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL2181141,5.9
+CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181140,6.88
+COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2181139,5.8
+Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180940,6.13
+Cn1cc2c(nc(NCc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180939,4.76
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2180938,5.57
+Cn1cc2c(nc(NCc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180937,5.91
+Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180936,6.08
+Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180935,6.49
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180934,6.35
+Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180933,6.27
+C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180932,6.02
+C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180931,6.47
+Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180930,6.28
+Cn1cc2c(nc(NC3C4CC5CC(C4)CC3C5)n3nc(-c4ccco4)nc23)n1,CHEMBL2180929,6.12
+Cn1cc2c(nc(NC34CC5CC(CC(C5)C3)C4)n3nc(-c4ccco4)nc23)n1,CHEMBL2180928,5.48
+Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181164,6.1
+Cn1cc2c(nc(NC3CCCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181163,6.32
+Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181162,6.65
+Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181161,6.78
+Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181160,7.1
+Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181159,6.77
+Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181158,6.68
+Cn1cc2c(nc(NC(C)(C)C(C)(C)C)n3nc(-c4ccco4)nc23)n1,CHEMBL2181157,6.01
+CCCCC(CC)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181156,6.22
+CCCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181155,6.58
+CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181154,6.61
+CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181153,6.32
+CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181152,6.78
+CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181151,6.89
+CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181150,6.88
+CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181149,6.48
+CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181148,6.22
+CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181147,5.71
+CCOc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181146,5.11
+Cn1cc2c(nc(Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL2181144,5.18
+O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc21,CHEMBL2261733,5.11
+COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)c(F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2261342,6.6
+O[C@@H]1[C@@H](CF)O[C@@H](n2cnc3c(NC4CCOCC4)ncnc32)[C@@H]1O,CHEMBL2261343,7.6
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2163568,7.8
+Nc1nc2ccccc2c2cc(-c3ccco3)nn12,CHEMBL2312725,7.46
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1,CHEMBL2311741,7.65
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2326828,6.14
+Cc1nc(NC(=O)Cc2ccccc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322925,6.29
+Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322918,6.82
+Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322917,7.12
+Cc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL2322916,7.15
+CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12,CHEMBL2347374,6.4
+CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12,CHEMBL2349310,6.88
+Nc1nc(-c2ccccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377100,5.43
+N#Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377224,5.5
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377225,5.52
+Nc1nc(C2CCCO2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377227,5.53
+Cc1ccc(-c2nc(N)c3cc(CCc4ccccc4)sc3n2)o1,CHEMBL2377108,5.56
+Cn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377085,5.63
+CC(c1ccccc1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL2377094,5.75
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1,CHEMBL2377230,5.83
+Nc1nc(-c2cccnc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377101,5.85
+Cc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1,CHEMBL2377234,5.85
+N#Cc1cncc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377107,5.94
+Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377223,6.06
+Nc1nc(-c2ccncc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377102,6.09
+Nc1nc(-c2ncccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377104,6.21
+Cc1ccc(-c2nc(N)c3cc(-c4ccccc4)sc3n2)o1,CHEMBL2377238,6.28
+COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1,CHEMBL2377226,6.29
+Cc1ccc(-c2nc(N)c3ccsc3n2)o1,CHEMBL2377237,6.31
+Cc1ccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)o1,CHEMBL2377112,6.36
+Nc1nc(-c2ncco2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377228,6.51
+Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377239,6.53
+CC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377114,6.55
+COc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377099,6.58
+Cc1nc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)cs1,CHEMBL2377084,6.58
+Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12,CHEMBL2377087,6.63
+CCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377113,6.65
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377090,6.65
+COc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1,CHEMBL2377231,6.73
+Nc1nc(-c2ccccc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377088,6.82
+COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL2377091,6.89
+Nc1nc(-c2cccc(F)c2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377097,6.91
+COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C)o3)nc2s1,CHEMBL2377109,6.91
+Nc1nc(-c2cnco2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377229,6.97
+Nc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377103,7.04
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)n1,CHEMBL2377232,7.3
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1,CHEMBL2377233,7.54
+Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1,CHEMBL2377110,7.58
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)c1,CHEMBL2377092,7.61
+O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1,CHEMBL2382425,6.44
+O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1,CHEMBL2382423,6.11
+Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1,CHEMBL2382420,6.0
+O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL2380383,5.36
+O=C(C/C=C/c1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382440,6.25
+COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382439,6.3
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,6.09
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,6.67
+O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382434,5.6
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,5.86
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,5.98
+Cc1sc2nc(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391835,4.92
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391842,4.98
+Cc1sc2nc(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391847,5.14
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391843,5.44
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL2391844,6.1
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccn3)s2)cc1,CHEMBL2391840,6.16
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL2391837,6.27
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1,CHEMBL2391831,6.39
+O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1,CHEMBL2391833,6.56
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1)c1ccco1,CHEMBL2391832,6.75
+O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1,CHEMBL2391834,9.24
+CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398486,6.71
+Cn1c(-n2nccn2)nc2c(N)nc(CCCCO)nc21,CHEMBL2398485,6.82
+C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398484,7.47
+C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398483,7.28
+CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398482,7.545
+CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398480,6.8
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(S(=O)(=O)O)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2401954,6.42
+Cn1cc2c(nc(=NNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1,CHEMBL2413249,5.02
+N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCCC(=O)Nc5nc6ccc(Cl)cc6c6nc(-c7ccco7)nn56)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O,CHEMBL2413248,7.06
+CCNC(=O)C1OC(n2cnc3c(NCCCCNC(=O)COc4ccc([CH+]C=c5ccc6n5[B-](F)(F)n5c(ccc5-c5cccs5)C=6)cc4)ncnc32)C(O)C1O,CHEMBL2413232,6.58
+CCNC(=O)C1OC(n2cnc3c(NCCCNC(=O)COc4ccc([CH+]C=c5ccc6n5[B-](F)(F)n5c(ccc5-c5cccs5)C=6)cc4)ncnc32)C(O)C1O,CHEMBL2413231,6.38
+CCNC(=O)C1OC(n2cnc3c(NCCNC(=O)COc4ccc([CH+]C=c5ccc6n5[B-](F)(F)n5c(ccc5-c5cccs5)C=6)cc4)ncnc32)C(O)C1O,CHEMBL2413230,6.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413115,5.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413114,5.45
+N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(Br)cc1,CHEMBL2419150,9.6
+N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Br)cc1,CHEMBL2419149,6.73
+CCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419142,8.63
+CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419141,4.61
+N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Cl)cc1,CHEMBL2419140,6.38
+CCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,CHEMBL2419138,6.22
+CCCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,CHEMBL2419137,10.0
+CCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,CHEMBL2419147,6.99
+CCCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,CHEMBL2419146,7.78
+N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(F)cc1,CHEMBL2419145,6.05
+CCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419143,7.7
+O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccco1,CHEMBL2435537,6.46
+O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1,CHEMBL2435536,6.79
+Cc1ccc(NC(=O)Nc2ncnc3c2nc(-c2ccco2)n3C)cc1,CHEMBL3087714,6.12
+Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21,CHEMBL3087713,6.3
+Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1,CHEMBL3087712,6.04
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21,CHEMBL3087711,6.36
+Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21,CHEMBL3087710,5.52
+Cn1c(-c2ccco2)nc2c(NC(=O)c3ccc(-c4ccccc4)cc3)ncnc21,CHEMBL3087709,6.19
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21,CHEMBL3087708,6.23
+Nc1ncnc2c1nc(-c1ccco1)n2CCCO,CHEMBL3087707,7.22
+CCCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087706,7.72
+Nc1ncnc2c1nc(-c1ccco1)n2CCO,CHEMBL3087717,7.16
+Cn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087716,7.21
+CCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087715,7.62
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093237,5.77
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O,CHEMBL3093233,5.0
+CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(CC)c1=O,CHEMBL3093230,5.98
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2OC)n(CC)c1=O,CHEMBL3093225,5.41
+CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O,CHEMBL3093325,5.18
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL3093323,5.73
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCO2)n(C)c1=O,CHEMBL3093322,5.94
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL3093321,5.63
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL3091482,6.06
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O,CHEMBL3093320,5.85
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093318,5.36
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL3093317,5.08
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL3093316,4.94
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O,CHEMBL3093315,6.39
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093313,4.99
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O,CHEMBL3093312,5.88
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O,CHEMBL3093311,6.22
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL3093310,6.6
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cc(OC)cc(OC)c2)n(C)c1=O,CHEMBL3093332,5.02
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O,CHEMBL3093330,5.02
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093329,5.44
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093328,4.78
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,9.15
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114165,4.5
+Cn1cc2c(Cl)nc(N)nc2n1,CHEMBL3114139,4.53
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114147,4.71
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114152,4.78
+Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114163,4.79
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114149,4.86
+CC(C)(C)Cn1cc2c(Cl)nc(N)nc2n1,CHEMBL3114141,4.92
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CC(C)(C)C)nc3n2)cc1,CHEMBL3114154,4.95
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114151,4.96
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CCc4ccccc4)nc3n2)cc1,CHEMBL3114158,4.97
+CC(C)n1cc2c(Cl)nc(N)nc2n1,CHEMBL3114140,5.05
+CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114160,5.1
+O=C(Cc1ccccc1)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114166,5.19
+Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114142,5.37
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(C(C)C)nc3n2)cc1,CHEMBL3114150,5.39
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccccc1,CHEMBL3114155,5.42
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114148,5.47
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccc(F)cc1,CHEMBL3114156,5.57
+CC(C)n1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114164,5.72
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O,CHEMBL3121723,8.59
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O,CHEMBL3121728,8.73
+CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121720,8.74
+CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121721,8.8
+Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O,CHEMBL3121722,8.88
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121724,8.92
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O,CHEMBL3121727,9.05
+CCCCC#Cc1nc(NC2CCCC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125715,5.8
+CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125714,5.66
+CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC,CHEMBL3133075,5.3
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(Br)o3)nc2s1,CHEMBL3222089,7.4
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222062,7.0
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)c1,CHEMBL3217867,6.89
+CC(C)c1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1,CHEMBL3222072,6.85
+Nc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222058,6.82
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3217800,6.73
+CCc1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1,CHEMBL3222070,6.72
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222084,6.72
+N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1,CHEMBL3217866,6.68
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)(F)C3)cc12,CHEMBL3222086,6.61
+Nc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3222061,6.54
+Nc1nc(-c2ccco2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222066,6.54
+Cc1csc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)n1,CHEMBL3222095,6.52
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(C4CC4)o3)nc2s1,CHEMBL3222074,6.48
+Nc1nc(-c2ccco2)nc2sc(CN3CCSCC3)cc12,CHEMBL3222065,6.43
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL3222110,6.34
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1,CHEMBL3222097,6.3
+Cc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1,CHEMBL3222053,6.21
+Cc1ccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)o1,CHEMBL3222052,6.21
+Nc1nc(-c2cccc(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222104,6.21
+Nc1nc(-c2cc3ccccc3o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222102,6.2
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222082,6.19
+Nc1nc(-c2ccon2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222096,6.17
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC3)cc12,CHEMBL3222080,6.15
+Nc1nc(-c2ccc(Br)o2)nc2sc(CN3CCCC3)cc12,CHEMBL3222087,6.15
+Nc1nc(-c2ccc(Br)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222088,6.14
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1,CHEMBL3222076,6.14
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222059,6.13
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222085,6.11
+Nc1nc(-c2cccc(Cl)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222105,6.1
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1,CHEMBL3217864,6.08
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1,CHEMBL3217865,6.01
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1,CHEMBL3222109,6.0
+Nc1nc(-c2cccs2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222099,5.99
+Cc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1,CHEMBL3222056,5.98
+C[C@H]1CN(Cc2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)C[C@@H](C)O1,CHEMBL3217868,5.97
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222083,5.97
+Nc1nc(-c2ccco2)nc2sc(CN3CCCCCC3)cc12,CHEMBL3222054,5.93
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)C3)cc12,CHEMBL3222068,5.91
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)C3)cc12,CHEMBL3222067,5.87
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCCCC3)cc12,CHEMBL3222081,5.85
+N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)cc1,CHEMBL3217871,5.79
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222077,5.78
+Nc1nc(-c2ccco2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222055,5.77
+COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1,CHEMBL3217882,5.74
+Nc1nc(-c2ccco2)nc2sc(CNC3CC3)cc12,CHEMBL3222049,5.72
+N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)c1,CHEMBL3222108,5.68
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3222079,5.68
+CCN(CC)Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222048,5.67
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)CC3)cc12,CHEMBL3222060,5.65
+Nc1nc(-c2cc(F)cc(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222106,5.64
+N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)cc1,CHEMBL3217872,5.63
+Nc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12,CHEMBL3222050,5.61
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222075,5.57
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(=O)CC3)cc12,CHEMBL3222064,5.57
+Nc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222093,5.56
+Nc1nc(-c2ccc(F)c(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222107,5.54
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1,CHEMBL3217863,5.53
+Nc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222092,5.53
+Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CC=CC3)cc12,CHEMBL3217873,5.53
+Nc1nc(-c2cocn2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222101,5.53
+COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1,CHEMBL3217881,5.52
+Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3217874,5.52
+COc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1,CHEMBL3217880,5.49
+Nc1nc(-c2ncco2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222090,5.49
+Cc1ccc(-c2nc(N)c3cc(CN4CCc5ccccc5C4)sc3n2)o1,CHEMBL3222057,5.48
+CN(C)Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222047,5.45
+Nc1nc(-c2ccc(C(F)(F)F)cc2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3217875,5.45
+Nc1nc(-c2ncco2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222091,5.41
+Nc1nc(-c2cocn2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222100,5.41
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(O)CC3)cc12,CHEMBL3222063,5.4
+N#Cc1ccccc1-c1nc(N)c2cc(CN3CCC(F)CC3)sc2n1,CHEMBL3217869,5.3
+Nc1nc(-c2ccco2)nc2sc(CN3CCCC3)cc12,CHEMBL3222051,5.19
+N#Cc1ccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)cc1,CHEMBL3217870,5.07
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)(F)CC3)cc12,CHEMBL3222078,4.75
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1,CHEMBL3235279,8.85
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1-c1ccc(OCCO)cc1,CHEMBL3234936,8.32
+CC(=O)Nc1ccc(-c2nc(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N)c2C#N)cc1,CHEMBL3234937,7.85
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1-c1ccccc1,CHEMBL3234938,8.05
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1-c1ccc(O)cc1,CHEMBL3234940,7.82
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1-c1ccc(OC(F)(F)F)cc1,CHEMBL3234942,6.73
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234945,7.85
+N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234946,7.82
+N#Cc1c(N)nc(SCc2coc(-c3ccc(F)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234947,7.7
+N#Cc1c(N)nc(SCc2coc(-c3cccc(F)c3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234948,7.82
+N#Cc1c(N)nc(SCc2csc(-c3ccc(F)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234949,8.17
+N#Cc1c(N)nc(SCc2csc(-c3cccc(F)c3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234950,7.85
+Cc1ccc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc5c(c4)OCO5)n3)cs2)cc1,CHEMBL3234951,8.51
+COc1ccc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc5c(c4)OCO5)n3)cs2)cc1,CHEMBL3234952,8.74
+N#Cc1c(N)nc(SCc2csc(-c3ccc4c(c3)OCO4)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234953,8.6
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Br)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234954,8.28
+N#Cc1c(N)nc(SCc2csc(-c3ccc(I)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234955,8.0
+N#Cc1c(N)nc(SCc2csc(-c3cccc(Cl)c3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234956,7.38
+N#Cc1c(N)nc(SCc2csc(-c3ccccc3Cl)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234958,7.12
+N#Cc1c(N)nc(SCc2csc(-c3ccccc3F)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234959,7.92
+N#Cc1c(N)nc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234960,7.74
+N#Cc1c(N)nc(SCc2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234961,7.96
+N#Cc1c(N)nc(SCc2csc(-c3ccccc3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234962,8.62
+N#Cc1c(N)nc(SCc2csc(C3CCCCC3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234963,8.2
+N#Cc1c(N)nc(SCc2csc(N3CCOCC3)n2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234964,8.72
+N#Cc1c(N)nc(SCc2cscn2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234965,8.01
+N#Cc1c(N)nc(SCc2cnc[nH]2)nc1-c1ccc2c(c1)OCO2,CHEMBL3233035,7.08
+CN(C)c1ccc(-c2nc(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N)c2C#N)cc1,CHEMBL3234943,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950649,7.11
+CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL317052,5.42
+Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1950553,5.0
+Cc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1,CHEMBL520782,6.39
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL395472,6.22
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccccn5)nc43)CC2)cc1,CHEMBL246675,5.87
+Cc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL513364,6.45
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3cccc(C#N)c3)nn2c(N)n1,CHEMBL482329,5.95
+CN(C)CCn1ncc2c1nc(N)n1c(=O)n(Cc3cccc(Cl)c3)nc21,CHEMBL1762513,5.85
+Nc1nc2c(cnn2CCN2CCOCC2)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762515,5.85
+COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12,CHEMBL3260725,5.06
+COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL3260726,5.68
+COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,CHEMBL2105747,5.87
+CC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1,CHEMBL3260727,5.0
+CC1CN(c2nnc(N)nc2-c2ccccc2)CC(C)O1,CHEMBL3260728,5.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335523,6.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335526,5.72
+S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCCC2)nn1Cc1ccccc1,CHEMBL3359415,8.02
+S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCC2)nn1Cc1ccccc1,CHEMBL3359421,8.62
+CCc1nc2c(=S)n(Cc3ccccc3)nc(C3CCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359420,8.33
+S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1,CHEMBL3359418,7.89
+CCc1nc2c(=O)n(Cc3ccccc3)nc(C3CCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359414,8.85
+Cc1nc2c(=O)n(Cc3ccccc3)nc(C3CCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359413,8.47
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCC2)nn1Cc1ccccc1,CHEMBL3359412,8.72
+CCc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359411,8.46
+Cc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL379204,8.21
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1,CHEMBL3359410,7.49
+CCc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359409,7.82
+Cc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359408,8.02
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCCC2)nn1Cc1ccccc1,CHEMBL3359407,6.76
+COc1ccc(-c2nc3cnc4ccc(C)cc4n3n2)cc1,CHEMBL3356374,5.7
+Cc1ccc2ncc3nc(-c4ccccc4)nn3c2c1,CHEMBL3356373,5.88
+Clc1ccc2ncc3nc(-c4ccccc4)nn3c2c1,CHEMBL3356371,6.89
+CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21,CHEMBL3355976,7.07
+CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21,CHEMBL3355975,5.81
+CCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355974,6.25
+CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355973,6.25
+COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355972,5.83
+CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355971,6.87
+CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21,CHEMBL3355970,5.34
+CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21,CHEMBL3355968,5.87
+Nc1ncnc2cn(-c3ccccc3)nc12,CHEMBL3317555,7.1
+CCc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317556,7.05
+Nc1nc(Cc2ccc3c(c2)OCO3)nc2cn(-c3ccccc3)nc12,CHEMBL3317559,7.12
+COc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317560,6.43
+COc1cccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)c1,CHEMBL3317561,7.05
+Nc1nc(Cc2ccccc2F)nc2cn(-c3ccccc3)nc12,CHEMBL3317565,7.46
+Nc1nc(Cc2ccccc2Cl)nc2cn(-c3ccccc3)nc12,CHEMBL3317566,6.81
+Nc1nc(Cc2ccccc2O)nc2cn(-c3ccccc3)nc12,CHEMBL3317554,7.19
+Nc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12,CHEMBL3317568,6.51
+Nc1nc(/C=C/c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317571,6.32
+COc1ccc(CCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3317572,6.42
+Nc1nc(CCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317573,6.38
+Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317574,8.275
+COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317575,8.88
+COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1,CHEMBL3317576,9.82
+COc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3317577,7.8
+Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12,CHEMBL3317578,9.27
+Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12,CHEMBL3317579,9.66
+Nc1nc(CCCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317580,7.74
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3311282,6.91
+CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314900,5.8
+CCOC(=O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314901,6.05
+CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314894,6.36
+CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314895,6.03
+CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314896,5.87
+CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314897,5.9
+CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314898,6.03
+CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314899,6.06
+CCOC(=O)c1cnc(SC)n2nc(-c3ccco3)nc12,CHEMBL3314870,5.24
+CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314871,6.5
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314872,6.02
+CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314873,6.37
+COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314874,6.41
+CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314875,6.87
+Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3313941,7.24
+CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314876,6.73
+CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314877,6.9
+CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314878,5.05
+CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314879,6.53
+O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314880,6.44
+O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314882,6.5
+CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314883,6.49
+C=C(OCC)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314884,4.9
+CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12,CHEMBL3314887,6.01
+CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314888,6.79
+CCCCCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314889,6.21
+CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314890,7.4
+CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314891,5.94
+CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314892,7.22
+CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314893,7.46
+CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314902,6.03
+CCOC(=O)c1cnc(NC2CCC2)n2nc(-c3ccco3)nc12,CHEMBL3314903,7.12
+CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314904,6.64
+C=C(CCC)C1=CC=C(CC2CCCCCCC2)C2C=C(C3=CC=CC3)C=C12,CHEMBL3314905,6.75
+CCOC(=O)c1cnc(N2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314906,4.81
+CCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314907,5.05
+CCOC(=O)c1cnc(NCCOC)n2nc(-c3ccco3)nc12,CHEMBL3314908,5.64
+CCOC(=O)c1cnc(N(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314909,4.87
+CCOC(=O)c1cnc(NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314911,6.85
+CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314913,7.34
+CCOC(=O)c1c[nH]c(=NOC)n2nc(-c3ccco3)nc12,CHEMBL3314914,5.19
+CCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314916,4.92
+CCCCCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314917,4.98
+CC(C)Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314918,5.35
+CCCCC(CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314919,5.75
+O=C(O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314920,5.95
+O=C(O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314921,5.42
+O=C(O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314922,5.56
+O=C(O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314923,5.29
+Cc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314924,5.56
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314925,5.24
+O=C(O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314929,4.52
+O=C(O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314930,5.61
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403724,4.39
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2,CHEMBL3403728,5.11
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403729,4.63
+Cc1ccc(Nc2nc(N(C)C)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)cc1,CHEMBL3403733,4.49
+Cc1ccc(-c2nc(Nc3ccccc3)sc2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,CHEMBL3403734,5.62
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403739,4.85
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403741,4.72
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410324,6.22
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3407529,5.57
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410323,6.22
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12,CHEMBL3410322,5.23
+CCOC(=O)c1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410320,4.75
+CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410315,5.59
+CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410313,5.6
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410312,5.3
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410311,5.29
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3410310,5.57
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C(C)C)cc12,CHEMBL3410309,6.15
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C(C)C)cc12,CHEMBL3410307,5.55
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410306,5.37
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C)cc12,CHEMBL3410302,4.85
+CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410301,5.46
+CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12,CHEMBL3410300,5.4
+CCOC(=O)c1nc(N)nc2nn(C(C)C)cc12,CHEMBL3410299,6.05
+CCOC(=O)c1nc(N)nc2nn(C)cc12,CHEMBL3410298,5.06
+NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410297,4.4
+CC(C)n1cc2c(C(N)=O)nc(N)nc2n1,CHEMBL3410295,5.09
+Cn1cc2c(C(N)=O)nc(N)nc2n1,CHEMBL3410294,4.99
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414936,9.04
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414938,8.45
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414939,8.07
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414940,9.17
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414941,9.51
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414942,9.34
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414943,9.14
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414944,8.91
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414945,8.97
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414946,9.36
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414947,8.78
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414948,8.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCOC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416804,6.83
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416805,6.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(Cl)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416806,8.09
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416807,7.35
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416808,8.34
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416810,8.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)OCC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416811,7.12
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C(C)(C)C)c4)C[C@H]3C)nc21,CHEMBL3596590,4.72
+CCn1cc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cn1,CHEMBL3596589,4.7
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4nsnc4Cl)C[C@H]3C)nc21,CHEMBL3596518,5.9
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4sc(C)nc4C)C[C@H]3C)nc21,CHEMBL3596517,5.72
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnc(C)s4)C[C@H]3C)nc21,CHEMBL3596516,5.37
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(C)s4)C[C@H]3C)nc21,CHEMBL3596515,5.23
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21,CHEMBL3596514,4.8
+COc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1,CHEMBL3596513,5.62
+COc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1,CHEMBL3596512,5.3
+COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1,CHEMBL3596511,5.08
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncccn4)C[C@H]3C)nc21,CHEMBL3596510,5.81
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccncc4)C[C@H]3C)nc21,CHEMBL3596509,5.1
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21,CHEMBL3596508,5.06
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccn4)C[C@H]3C)nc21,CHEMBL3596507,5.51
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21,CHEMBL3596506,5.96
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cn4)C[C@H]3C)nc21,CHEMBL3596505,5.56
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cc4)C[C@H]3C)nc21,CHEMBL3596502,5.84
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4F)C[C@H]3C)nc21,CHEMBL3596503,5.45
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccc(F)c4)C[C@H]3C)nc21,CHEMBL3596504,5.86
+CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612941,5.61
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612945,5.87
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CCC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612946,6.15
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Br)cn4)n3)c2C#N)cc1,CHEMBL3613137,7.28
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Cl)cn4)n3)c2C#N)cc1,CHEMBL3613136,7.62
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccccn4)n3)c2C#N)cc1,CHEMBL3613135,8.02
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(C)cc4)n3)c2C#N)cc1,CHEMBL3613134,7.72
+COc1ccc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc(OC)cc4)c3C#N)cs2)cc1,CHEMBL3613133,8.03
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Cl)c(Cl)c4)n3)c2C#N)cc1,CHEMBL3613132,7.96
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccccc4Cl)n3)c2C#N)cc1,CHEMBL3613131,7.96
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4cccc(Cl)c4)n3)c2C#N)cc1,CHEMBL3613130,7.92
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(I)cc4)n3)c2C#N)cc1,CHEMBL3613129,8.41
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Br)cc4)n3)c2C#N)cc1,CHEMBL3613128,8.42
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(F)cc4)n3)c2C#N)cc1,CHEMBL3613127,8.64
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(N4CCOCC4)n3)c2C#N)cc1,CHEMBL3613126,8.49
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccccc4)n3)c2C#N)cc1,CHEMBL3613125,8.08
+COc1ccc(-c2c(C#N)c(N)nc(SCc3cscn3)c2C#N)cc1,CHEMBL3613124,8.89
+COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Br)c2C#N)cc1,CHEMBL3613123,6.79
+COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Cl)c2C#N)cc1,CHEMBL3613122,7.06
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc2c(c1)OCO2,CHEMBL3613121,8.34
+N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(O)cc1,CHEMBL3613120,8.82
+COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Cl)cc4)n3)c2C#N)cc1,CHEMBL3613119,8.3
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3545407,9.01
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL3642150,8.58
+O=S(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642151,8.39
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642152,7.97
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642153,8.88
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642154,8.83
+O=S(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL3642155,8.87
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL3642156,8.1
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O,CHEMBL2205239,8.24
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O,CHEMBL3642983,8.15
+O=S(=O)(O)C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642984,8.39
+OC1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H]1O,CHEMBL3703593,6.07
+OC1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H]1O,CHEMBL3703594,6.1
+OC1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H]1O,CHEMBL3703595,6.28
+OC1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703586,5.6
+OC1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H]1O,CHEMBL3703592,5.84
+CCn1cnc2c(NCCc3ccccc3)ncnc21,CHEMBL567012,5.06
+CCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL576447,6.48
+CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3742158,6.42
+CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3741012,5.57
+CCCn1cnc2c(NCCCc3ccccc3)ncnc21,CHEMBL3739802,4.73
+CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3741337,5.61
+CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3740619,5.71
+CCCn1cnc2c(NCCc3ccccc3)ncnc21,CHEMBL3742213,4.72
+CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21,CHEMBL3739903,6.26
+CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21,CHEMBL3741167,5.25
+CCCn1cnc2c(NCc3ccccc3)ncnc21,CHEMBL3739799,4.37
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3740992,6.64
+CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3739922,6.23
+CCCn1cnc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3741942,5.44
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3740141,7.1
+CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739795,6.43
+CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739985,5.63
+CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3741217,6.86
+CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3740631,6.45
+CCCn1cnc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3740172,5.12
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N(C)C)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740939,5.75
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740507,6.06
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741543,6.46
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741931,5.92
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741805,6.04
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740959,6.19
+O=C(Nc1nc(C2CC2)cs1)c1ccoc1,CHEMBL3747370,5.53
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc[nH]1,CHEMBL3746686,5.5
+CSc1sc(NC(=O)C=C(C)C)nc1C,CHEMBL3747257,4.53
+CC(C)(C)C(=O)Nc1nc(C2CC2)cs1,CHEMBL3746209,4.91
+O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2s1,CHEMBL3745868,5.43
+O=C(Nc1nc2c(s1)CCC2)c1cc2ccccc2s1,CHEMBL2006198,5.55
+O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1,CHEMBL1316867,5.21
+COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12,CHEMBL3746510,5.51
+CCc1cc2c(=O)nc[nH]c2s1,CHEMBL6215,4.12
+CCc1cc2c(=O)nc(-c3ccoc3)[nH]c2s1,CHEMBL3745803,4.25
+CCc1cc2c(=O)nc(-c3ccncc3)[nH]c2s1,CHEMBL1417979,4.64
+CCc1cc2c(=O)nc(C3CC3)[nH]c2s1,CHEMBL3746858,4.21
+Cc1sc2[nH]c(-c3ccoc3)nc(=O)c2c1C,CHEMBL3745825,5.71
+O=c1nc(-c2ccco2)[nH]c2scc(-c3ccco3)c12,CHEMBL3747100,6.46
+CCNc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3747461,5.72
+CCNc1nc([N-][N+]#N)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3746260,6.15
+Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3752432,5.83
+CNc1nc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752753,5.51
+c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3754573,6.11
+CNc1nc(NCc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754336,5.56
+c1ccc(CNc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753690,7.19
+c1coc(-c2nc3nc(NC4CCCCC4)nc(NC4CCCCC4)n3n2)c1,CHEMBL3753384,6.51
+CC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3753698,6.1
+CNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3754333,6.44
+c1ccc(Oc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753118,6.12
+O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3753079,6.17
+O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3754417,6.0
+CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752488,5.15
+CNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754704,5.05
+O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752342,5.84
+O=C(Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752421,5.12
+CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754760,4.61
+CNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3753604,4.98
+O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752621,6.51
+O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3753012,6.02
+CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754685,5.93
+CNc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754353,5.41
+Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752514,7.02
+Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3752431,6.86
+CC(C)Nc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3754099,5.37
+CNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3752868,5.59
+O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3753976,6.16
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1,CHEMBL3753642,6.12
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1,CHEMBL3752862,6.33
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccco1,CHEMBL3751978,6.26
+Cc1nc(N)c2nn(-c3ccccc3)nc2n1,CHEMBL3753083,6.67
+Nc1nc(Cc2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3753291,6.4
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3754656,7.28
+Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12,CHEMBL3753937,6.6
+Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765387,4.75
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765818,7.05
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1,CHEMBL3764083,7.92
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1,CHEMBL3763717,7.51
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1,CHEMBL3764467,6.46
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1,CHEMBL3764434,6.67
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1,CHEMBL3763830,8.0
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1,CHEMBL3764070,7.48
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C(F)(F)F)c2n1,CHEMBL3763199,5.89
+CSc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3763806,6.88
+CS(=O)(=O)c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3764006,5.32
+N#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3763571,6.47
+COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3765580,8.22
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1,CHEMBL3765379,7.7
+Cn1nccc1-c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3764736,5.22
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1,CHEMBL3764945,5.2
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1,CHEMBL3764338,7.3
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1,CHEMBL3764260,7.4
+Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1,CHEMBL3764613,7.08
+Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1,CHEMBL3765526,6.77
+Cc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)c1,CHEMBL3763215,6.95
+Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12,CHEMBL3764697,6.94
+Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1,CHEMBL3763234,6.22
+Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1,CHEMBL3764249,6.25
+C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12,CHEMBL3763766,7.24
+C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12,CHEMBL3763668,6.28
+Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1,CHEMBL3765449,7.05
+Nc1nc(C(=O)NCc2cccc3c2NCCC3)c2cccc(F)c2n1,CHEMBL3764486,6.67
+Nc1nc(C(=O)NCc2cccc3c2OCCO3)c2cccc(F)c2n1,CHEMBL3763972,6.99
+Nc1nc(C(=O)NCc2cccc3c2OCCN3)c2cccc(F)c2n1,CHEMBL3763434,6.87
+Nc1nc(C(=O)NCc2cccc3nc[nH]c23)c2cccc(F)c2n1,CHEMBL3764397,6.55
+CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc21,CHEMBL3764687,7.62
+Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1,CHEMBL3765062,7.27
+Nc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c2cccc(F)c2n1,CHEMBL3765164,8.27
+Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1,CHEMBL3765399,5.0
+Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1,CHEMBL3764081,7.11
+Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1,CHEMBL3765268,7.08
+Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1,CHEMBL3764552,7.11
+COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3763374,7.16
+CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3764812,6.6
+CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3763647,6.13
+Nc1nc(C(=O)NCc2cccc3c(C(=O)N4CCN(c5ccccc5)CC4)ccnc23)c2cccc(F)c2n1,CHEMBL3763829,5.22
+CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1,CHEMBL3763871,6.68
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)NCCCCCc4ccccc4)cnc23)c2cccc(F)c2n1,CHEMBL3765424,6.8
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCCc5ccccc54)cnc23)c2cccc(F)c2n1,CHEMBL3763969,6.8
+COCCOc1ccc(N2CCN(C(=O)c3cnc4c(CNC(=O)c5nc(N)nc6c(F)cccc56)cccc4c3)CC2)cc1,CHEMBL3764598,6.92
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCN(c5ccccn5)CC4)cnc23)c2cccc(F)c2n1,CHEMBL3763514,6.96
+CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3770601,7.85
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL3800360,5.27
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(OC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3799847,6.1
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4F)cc3n2)o1,CHEMBL3797666,6.51
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1,CHEMBL3798214,6.6
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1,CHEMBL3799848,7.22
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1,CHEMBL3799921,6.95
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(O)c4)cc3n2)o1,CHEMBL3800254,7.19
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1,CHEMBL3798754,6.87
+Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12,CHEMBL3798383,6.62
+COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1,CHEMBL3798766,7.01
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12,CHEMBL3800218,6.8
+Cc1ccc(-c2nc(N)c3nn(-c4ccccc4)cc3n2)o1,CHEMBL3797433,7.38
+Nc1nc(-c2ccco2)nc2cn(-c3ccccc3O)nc12,CHEMBL3799249,6.43
+Nc1nc(-c2ccco2)nc2cn(-c3ccccc3)nc12,CHEMBL3797284,6.69
+Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3O)nc12,CHEMBL3797927,7.28
+COc1ccccc1-n1cc2nc(Cc3ccccc3)nc(N)c2n1,CHEMBL3799215,6.99
+Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3O)nc12,CHEMBL3799771,7.77
+COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1,CHEMBL3800301,7.31
+Cc1nc(N)c2nn(-c3ccccc3F)cc2n1,CHEMBL3800476,6.39
+COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1,CHEMBL3800587,6.92
+COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1,CHEMBL3799351,7.74
+O=c1oc2c(O)cccc2cc1-c1cccs1,CHEMBL3818884,5.47
+O=c1oc2c(O)c(O)ccc2cc1-c1cccs1,CHEMBL3819594,5.49
+O=c1oc2c(O)cccc2cc1-c1ccsc1,CHEMBL3819227,5.23
+O=c1oc2c(O)c(O)ccc2cc1-c1ccsc1,CHEMBL3818574,5.47
+O=c1oc2c(O)c(O)ccc2cc1-c1cc(Br)cs1,CHEMBL3818390,4.79
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCC)c1=O,CHEMBL3827623,5.7
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CCCC)c1=O,CHEMBL3827598,6.27
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827187,5.92
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCCC)c1=O,CHEMBL3827074,6.18
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCCC3)cc2)n(CCCC)c1=O,CHEMBL3827201,6.15
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CC)c1=O,CHEMBL3827583,5.69
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,5.81
+Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088337,4.6
+COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088336,4.94
+Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1,CHEMBL3828648,4.75
+Clc1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3828047,4.9
+O=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1,CHEMBL3088338,5.14
+CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3088349,4.78
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3828082,6.26
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3828238,6.2
+COc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828306,6.15
+Cc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828388,6.4
+Fc1cccc(F)c1Nc1nc2c(N3CCCC3)ncnc2s1,CHEMBL3827582,5.64
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12,CHEMBL3828448,5.1
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3827171,6.28
+COc1cc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc(OC)c1OC,CHEMBL3827396,6.01
diff --git a/chembl_200/CHEMBL228.csv b/chembl_200/CHEMBL228.csv
new file mode 100644
index 0000000000000000000000000000000000000000..22665383ded198a039f0c2499e03b7cc347cf070
--- /dev/null
+++ b/chembl_200/CHEMBL228.csv
@@ -0,0 +1,1868 @@
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12,CHEMBL129053,9.07
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cccc5occc45)C[C@@H]3C)cccc2[nH]1,CHEMBL2112352,8.14
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL421660,9.28
+COc1cccc2ccc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12,CHEMBL2112353,9.47
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4cccc5sccc45)C[C@@H]3C)cccc2[nH]1,CHEMBL313023,8.36
+O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1,CHEMBL327227,7.78
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5c(C)csc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112355,9.24
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccoc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112354,8.42
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5sccc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL314163,9.52
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccccc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112350,9.4
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccsc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112358,9.12
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cccc5ccsc45)C[C@@H]3C)cccc2[nH]1,CHEMBL2112357,8.03
+Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5occc5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL329583,8.77
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5scc(C)c5c4)C[C@@H]3C)cccc2[nH]1,CHEMBL2112356,9.27
+COC(=O)C1C(c2ccc(OC)c(OC)c2)CC2CCC1N2C,CHEMBL335423,7.34
+CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+](=O)[O-],CHEMBL356755,4.82
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-],CHEMBL142517,5.55
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N,CHEMBL142158,6.19
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1CO,CHEMBL113382,7.26
+CSc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL2114391,8.74
+CCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL147040,7.71
+CCCN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL146615,6.095
+CC(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL424496,6.705
+CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL147950,8.44
+CCCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344116,6.88
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL341898,8.31
+CC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL359025,6.825
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(OC)cc1)CN23,CHEMBL612232,7.33
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294105,5.625
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL2079586,6.97
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,5.49
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C,CHEMBL1790051,6.747999999999999
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL306208,7.35
+Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL281594,6.83
+CN1C2CCC1C(C(=O)NCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL432727,6.99
+CN1C2CCC1C(C(=O)NCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL407803,5.5
+CN1C2CCC1C(C(=O)NCCCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL307314,8.1
+CN1C2CCC1C(C(=O)NCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL303266,6.45
+Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2,CHEMBL124069,9.3
+CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL417049,5.85
+Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL67024,6.66
+CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL443797,7.06
+c1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL421867,7.26
+Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL66112,6.46
+c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL63703,5.67
+c1ccc(CCCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67203,6.68
+c1ccc(CCCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67078,6.49
+Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL417035,6.05
+CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1,CHEMBL69380,6.28
+COc1cccc2c1O[C@@H](CN1C3C=C(n4ccc5cc(F)ccc54)CC1CC3)CO2,CHEMBL150050,8.07
+COc1cccc2c1O[C@@H](CN1C3C=C(c4ccc(Cl)c(Cl)c4)CC1CC3)CO2,CHEMBL149776,8.33
+COc1cccc2c1O[C@@H](CN1C3C=C(c4ccc5ccccc5c4)CC1CC3)CO2,CHEMBL357321,8.85
+COc1cccc2c1O[C@@H](CN1C3C=C(c4cccc5ccccc45)CC1CC3)CO2,CHEMBL356904,7.59
+COc1cccc2c1O[C@@H](CN1C3C=C(c4cccc5cccnc45)CC1CC3)CO2,CHEMBL348708,7.48
+CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,CHEMBL623,6.54
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,10.12
+CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1,CHEMBL326713,4.5
+CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1,CHEMBL325669,5.44
+CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1,CHEMBL332098,5.97
+CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1,CHEMBL324967,5.02
+CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1,CHEMBL332097,4.19
+OC1(c2ccc3c(c2)OCO3)c2ccccc2C2=NCCCN21,CHEMBL544370,7.59
+OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21,CHEMBL336100,7.42
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,7.3
+Oc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL130668,7.11
+COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1,CHEMBL336940,6.06
+COc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL133043,7.25
+OC1(c2ccccc2)c2ccccc2C2=NCCN21,CHEMBL133902,5.75
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21,CHEMBL130477,7.41
+OC1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21,CHEMBL132955,5.87
+COc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132082,5.99
+COc1cccc2c1C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132954,5.7
+Clc1ccc(C2c3ccccc3C3=NCCN32)cc1,CHEMBL336613,7.59
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL318604,7.03
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL318738,6.56
+Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL105390,7.33
+Fc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL105204,7.7
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL104144,7.35
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL442391,6.41
+Fc1ccc2c(C3CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL322915,6.89
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3[nH]ccc23)C1,CHEMBL421027,7.39
+CNCCC(Oc1cccc2ccccc12)c1cccc(OC)c1,CHEMBL337791,8.66
+CNCCC(Oc1cccc2ccccc12)c1ccc(Br)cc1,CHEMBL139168,8.39
+CNCCC(Oc1cccc2ccccc12)c1nccs1,CHEMBL138031,8.19
+CNCCC(Oc1cccc2ccccc12)c1cccc(C)c1,CHEMBL139277,8.4
+CNCCC(Oc1cccc2ccccc12)c1cccc(C(F)(F)F)c1,CHEMBL141974,7.72
+CNCCC(Oc1cccc2ccccc12)c1ccccc1,CHEMBL141681,8.62
+CNCCC(Oc1cccc2ccccc12)c1ccccc1C(F)(F)F,CHEMBL334929,8.0
+CNCCC(Oc1cccc2ccccc12)c1cccc(Br)c1,CHEMBL337798,8.12
+CNCCC(Oc1cccc2ccccc12)c1ccc(Cl)cc1,CHEMBL139245,8.42
+CNCCC(Oc1cccc2ccccc12)c1ccsc1,CHEMBL142028,8.96
+CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1,CHEMBL342716,9.02
+CNCCCOc1cccc2ccccc12,CHEMBL343324,7.12
+CNCCC(Oc1cccc2ccccc12)c1cccs1,CHEMBL424660,8.85
+CNCCC(Oc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1,CHEMBL137936,7.84
+CNCCC(Oc1cccc2ccccc12)c1ccccc1OC,CHEMBL139106,8.64
+CNCCC(Oc1cccc2ccccc12)c1ccco1,CHEMBL337822,9.15
+CNCCC(Oc1cccc2ccccc12)c1ccc(C)cc1,CHEMBL141114,8.68
+CNCCC(Oc1cccc2ccccc12)c1ccccc1C,CHEMBL141741,8.7
+CNCCCCOc1cccc2ccccc12,CHEMBL138195,7.51
+CNCCC(Oc1cccc2ccccc12)c1ccc(OC)cc1,CHEMBL415244,8.46
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,7.26
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,8.91
+COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,CHEMBL294733,7.41
+COC(=O)C1C(c2cccc(-c3ccsc3)c2)CC2CCC1N2C,CHEMBL303232,7.13
+COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL67387,8.02
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,5.33
+Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL121611,6.9
+O=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL122859,6.94
+CN(CCCc1ccccc1)CCCN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL123252,6.36
+O=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL420900,5.94
+O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL333667,6.25
+CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1,CHEMBL122452,5.82
+O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112594,6.28
+CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1,CHEMBL121027,6.26
+CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL121460,6.11
+O=C(Cc1ccc(F)cc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL123830,6.45
+O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1,CHEMBL124222,5.23
+O=C(CCc1ccc(Br)cc1)NCC=NCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112595,6.23
+COC(=O)C1C2CCC(C[C@@H]1c1ccc(I)cc1)CN2C,CHEMBL348552,9.17
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL14144,6.41
+COC(=O)C1C(c2ccc(/C=C\Br)cc2)CC2CCC1N2C,CHEMBL14305,10.1
+COC(=O)C1C2CCC(CC1c1ccc(/C=C\I)cc1)N2,CHEMBL428706,10.375
+COC(=O)C1C(c2ccc(/C=C\I)cc2)CC2CCC1N2C,CHEMBL275212,9.96
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,9.44
+COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2,CHEMBL14257,10.1
+COC(=O)C1C(c2ccc(C=C(Br)Br)cc2)CC2CCC1N2C,CHEMBL14924,8.87
+COC(=O)C1C2CCC(CC1c1ccc(/C=C\Br)cc1)N2,CHEMBL14531,10.4
+CN(C)Cc1ccccc1Sc1ccc(C#N)cc1N,CHEMBL106939,8.957
+CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N,CHEMBL104673,9.48
+COc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL107077,8.72
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N,CHEMBL432394,9.57
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2,CHEMBL328631,8.27
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2,CHEMBL98889,7.2
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL95218,8.6
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL419894,8.25
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2,CHEMBL101411,8.89
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2,CHEMBL101361,7.29
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2,CHEMBL419336,8.15
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2,CHEMBL99916,7.68
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2,CHEMBL98646,8.57
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2,CHEMBL101596,8.72
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2,CHEMBL328195,8.32
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2,CHEMBL319573,7.89
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2,CHEMBL319119,8.49
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2,CHEMBL329065,8.12
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,8.76
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL98541,8.89
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,8.517000000000001
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2,CHEMBL419316,8.232999999999999
+COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1,CHEMBL99868,8.8
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2,CHEMBL100879,7.13
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2,CHEMBL263424,9.22
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2,CHEMBL420830,7.46
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2,CHEMBL319530,7.66
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C\I)cc1)N2,CHEMBL174088,10.3
+CC(C)OC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)CN2C,CHEMBL345689,6.37
+C[C@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112915,7.19
+C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112916,7.07
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21,CHEMBL334577,8.26
+OC1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL340281,7.96
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL133646,6.65
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21,CHEMBL337020,6.22
+OC1(c2ccc3ccccc3c2)c2ccccc2C2=NCCN21,CHEMBL132676,8.64
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C/I)cc1)N2,CHEMBL173427,8.94
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.45
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO,CHEMBL278165,9.28
+CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL361259,11.0
+CN(C)Cc1ccccc1Sc1ccc(I)cc1CO,CHEMBL114275,10.018
+CNCC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL331799,8.31
+CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1,CHEMBL113136,7.6
+CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1,CHEMBL322067,7.24
+CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1,CHEMBL109517,8.24
+CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12,CHEMBL323447,7.28
+CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL109571,8.55
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL111128,8.44
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL326466,8.64
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL137020,6.61
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL538405,7.06
+Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL77867,7.17
+Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1,CHEMBL136057,7.39
+Fc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL35411,6.43
+Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL416409,6.64
+Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1,CHEMBL343534,7.35
+Fc1ccc(C(OCCC2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL136249,6.79
+Fc1ccc(C(OCCC2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL137718,7.33
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL136154,7.07
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,5.39
+c1ccc2c(c1)Cc1ccccc1C21CCNC1,CHEMBL307956,5.41
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL324269,8.59
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1,CHEMBL419385,7.33
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL432022,8.36
+COc1ccc2cc([C@H]3C4CCC(C4)[C@@H]3CN(C)C)ccc2c1,CHEMBL323678,7.6
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1,CHEMBL322348,7.92
+c1ccc(CC(c2ccccc2)c2ccncc2)cc1,CHEMBL342055,6.04
+c1ccc(C(c2ccccc2)c2ccccn2)cc1,CHEMBL347772,4.46
+c1ccc(C(c2ccccc2)c2ccncc2)cc1,CHEMBL150045,5.94
+c1ccc(C(c2ccccc2)c2cccnc2)cc1,CHEMBL149246,4.9
+Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1,CHEMBL320597,6.27
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,8.41
+COc1cccc2c1CCC[C@@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL75342,7.04
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1,CHEMBL2112978,7.8
+C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1,CHEMBL2112981,7.08
+c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112984,9.3
+CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112970,7.8
+CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112973,7.64
+CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112975,8.59
+CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL426959,7.21
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112983,8.01
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112985,8.05
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2,CHEMBL2112971,7.82
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2,CHEMBL2112974,6.82
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2,CHEMBL2112976,8.82
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ncccc5c4)CC3)[C@@H]1CN2,CHEMBL2112980,7.66
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2,CHEMBL2112969,6.81
+COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1,CHEMBL2112977,6.98
+C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL2112979,6.97
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL2112982,8.14
+COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL2112972,8.85
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1,CHEMBL180470,8.44
+COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL435352,8.35
+CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL179237,7.77
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1,CHEMBL369378,7.25
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1,CHEMBL176261,8.46
+CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL176116,8.11
+COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL175853,8.24
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1,CHEMBL175911,7.59
+C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1,CHEMBL180322,7.39
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1,CHEMBL178588,7.92
+C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1,CHEMBL425324,7.89
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,7.11
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,8.77
+Cc1cc(N)c(Sc2ccccc2CN(C)C)cc1F,CHEMBL192824,6.75
+CN(C)Cc1ccccc1Sc1ccc(F)cc1N,CHEMBL190860,8.84
+CN(C)Cc1ccccc1Sc1ccc(CO)cc1N,CHEMBL190937,9.193
+CN(C)Cc1ccccc1Sc1ccc(CF)cc1N,CHEMBL143707,8.98
+CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N,CHEMBL363396,8.26
+Cc1ccc(Sc2ccccc2CN)c(N)c1,CHEMBL366170,7.52
+CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL192619,7.15
+Cc1ccc(Sc2ccccc2CNCCF)c(N)c1,CHEMBL192528,7.15
+CCCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL425010,5.66
+Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1,CHEMBL195585,6.29
+C=CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL365812,7.09
+CN(C)Cc1ccccc1Oc1ccc(I)cc1CO,CHEMBL183470,9.92
+CN(C)Cc1ccccc1Oc1ccc(I)cc1N,CHEMBL186962,9.6
+CN(C)Cc1ccccc1Cc1ccc(I)cc1N,CHEMBL186056,7.31
+CN(C)Cc1ccccc1Sc1ccccc1N,CHEMBL190700,8.8
+C=Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL190703,8.95
+CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL189367,9.31
+CN(C)Cc1ccccc1Sc1ccc(CCO)cc1N,CHEMBL187935,7.3
+CN(C)Cc1ccccc1Sc1ccc(CCCO)cc1N,CHEMBL413562,7.03
+CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-],CHEMBL2113055,7.08
+CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-],CHEMBL2113054,8.71
+CCc1ccc(Sc2ccccc2CNC)c(N)c1,CHEMBL189375,8.69
+CNCc1ccccc1Sc1ccc(CO)cc1N,CHEMBL362783,7.82
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL535371,7.6
+CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL180101,6.18
+OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL114453,8.0
+CN(C)CCCc1c[nH]c2ccc(C#N)cc12,CHEMBL180630,8.7
+CN(C)CCCc1c[nH]c2ccc(F)cc12,CHEMBL361949,8.4
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL196468,9.495
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(C#N)cccc12,CHEMBL197354,9.24
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(C#N)ccc12,CHEMBL197966,8.13
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12,CHEMBL198018,6.51
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12,CHEMBL198019,8.925
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(F)cccc12,CHEMBL364050,8.0
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(F)ccc12,CHEMBL194960,7.42
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(F)c12,CHEMBL194909,7.23
+CN(C)CC1CC1c1c[nH]c2ccc(C#N)cc12,CHEMBL1162965,8.15
+CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12,CHEMBL196513,7.735
+CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL195774,8.05
+CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12,CHEMBL197315,7.39
+CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL373211,8.24
+CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL194910,7.77
+CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(F)cc12,CHEMBL383347,7.0
+CN(C)C[C@H]1C[C@@H]1c1cn(C)c2ccc(C#N)cc12,CHEMBL199053,8.19
+CCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(C#N)ccc21,CHEMBL199054,8.74
+CCCC1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O,CHEMBL199116,6.8
+CCC1(CCCNC)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O,CHEMBL199093,6.89
+O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1)C1CCNCC1,CHEMBL89245,6.6
+Cc1cc(C)cc(OCC(=O)N(c2ccc(Cl)c(Cl)c2)C2CCNCC2)c1,CHEMBL91418,7.5
+CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12,CHEMBL183921,7.3
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,8.2
+O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1,CHEMBL180700,7.1
+CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN,CHEMBL252923,8.19
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL83617,10.0
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL42553,7.92
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOC(=O)C4C(c5ccc(Cl)c(Cl)c5)CC5CCC4N5C)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL372378,5.83
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCC4CCC(C(=O)NCCN5C6CCC5C(C(=O)OC)C(c5ccc(Cl)c(Cl)c5)C6)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL216773,6.15
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3350391,5.06
+CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085019,4.31
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085018,6.46
+NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085023,4.96
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085031,6.22
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3085030,6.3
+CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085029,5.58
+C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085028,5.41
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1,CHEMBL3085027,5.38
+CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C,CHEMBL3085033,4.76
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3085032,5.52
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+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,5.21
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+CCCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL201960,5.42
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1,CHEMBL204288,5.61
+CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL205028,5.29
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+CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL201977,6.2
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+CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL377498,5.41
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+CCCC(C(=O)c1ccc(OC)c(OC)c1)N1CCCC1,CHEMBL382768,5.13
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL203488,6.7
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+CCCC(C(=O)c1cccc(C)c1)N1CCCC1,CHEMBL204254,5.23
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+CC#Cc1ccc(C(=O)C(CCC)N2CCCC2)cc1,CHEMBL204538,5.17
+CCCC(C(=O)c1ccc(C(F)(F)F)cc1)N1CCCC1,CHEMBL204490,6.02
+CCCC(C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1,CHEMBL201666,5.44
+CCCC(C(=O)c1ccc(OC)cc1)N1CCCC1,CHEMBL381127,5.39
+CCCC(C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1,CHEMBL379446,5.61
+CCCC(C(=O)c1cccc(I)c1)N1CCCC1,CHEMBL426304,5.85
+CCCC(C(=O)c1ccc(I)cc1)N1CCCC1,CHEMBL202479,6.52
+CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1,CHEMBL202420,6.08
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+O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL383464,7.42
+O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL202860,7.805
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL380406,7.09
+O[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL204530,7.215
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL204586,6.35
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+Cc1ccc(Nc2ccccc2CN(C)C)c(N)c1,CHEMBL383422,7.99
+Cc1ccc(Oc2ccccc2CN(C)C)c(N)c1,CHEMBL204199,9.28
+Cc1ccc(S(=O)c2ccccc2CN(C)C)c(N)c1,CHEMBL203821,8.38
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1,CHEMBL300115,7.78
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(F)ccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129238,9.62
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+Cc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL311964,9.36
+C[C@H]1C[C@H](c2cc3cc(Cl)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL79151,9.24
+C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL309396,9.51
+C[C@H]1C[C@H](c2cc3ccccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL311701,9.29
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL308388,8.94
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL76747,9.57
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL310883,7.87
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL307874,7.83
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(F)cc3s2)CC1,CHEMBL56601,8.7
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)cc12,CHEMBL300340,7.29
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL56795,7.9
+CC(C)CN(Cc1ccccc1)C1CCNCC1,CHEMBL207837,8.08
+Cc1ccc(CN(CC(C)C)C2CCNCC2)cc1,CHEMBL380191,9.0
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL209324,6.7
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.84
+CN1CCCCCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2,CHEMBL379181,6.96
+CN1CCCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2,CHEMBL380056,7.03
+CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL378243,5.78
+CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2,CHEMBL379333,5.91
+CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL379755,6.54
+CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL211372,8.72
+CN1C2CCC1C1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL385359,6.29
+CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2,CHEMBL214209,7.3
+FC(F)(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL375131,7.6
+CCCOc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL213754,7.74
+C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL377785,8.11
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL215236,7.73
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL216015,7.01
+C=C1CN2C3CCC2C1C(c1ccc(I)cc1)C3,CHEMBL380383,10.05
+C=C1CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL378536,9.09
+C=C1CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL212452,9.55
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL383873,8.25
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/I)c1)N2,CHEMBL216736,9.7
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/Br)c1)N2,CHEMBL385173,9.7
+CCCCCC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL219703,5.55
+CC(C)CC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL220247,5.3
+CCCCC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL218849,5.345
+CC(C)C(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL218848,5.28
+CCCC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL218847,5.53
+CCC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL376852,5.245
+COC(=O)C(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL219116,5.225
+CC(C)CC(c1cccc(Cl)c1)C1CCCCN1,CHEMBL219335,5.49
+Clc1ccc(C(C2CCCC2)C2CCCCN2)cc1,CHEMBL375118,5.29
+CCC(CC)C(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL219334,5.365
+Clc1ccc(C(CCCc2ccccc2)C2CCCCN2)cc1,CHEMBL441864,5.985
+Clc1ccc(C(CCc2ccccc2)C2CCCCN2)cc1,CHEMBL219281,5.965
+Clc1ccc(C(CC2CCCC2)C2CCCCN2)cc1,CHEMBL219653,5.515
+CC(C)(C)CC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL374769,5.435
+CC(C)CCC(c1ccc(Cl)cc1)C1CCCCN1,CHEMBL373710,5.235
+CC(=O)C(c1ccccc1)C1CCCCN1,CHEMBL219540,5.11
+CC(C)CC(c1ccc(C(C)C)cc1)C1CCCCN1,CHEMBL218193,5.625
+COc1cccc(C(CC(C)C)C2CCCCN2)c1,CHEMBL217975,5.4
+COc1ccc(C(CC(C)C)C2CCCCN2)cc1,CHEMBL218894,5.785
+CC(C)CC(c1ccc(Cl)c(Cl)c1)C1CCCCN1C,CHEMBL387117,5.855
+CCCCC(c1ccc(Cl)c(Cl)c1)C1CCCCN1,CHEMBL374634,5.925
+COC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCN1,CHEMBL220195,5.7
+N#Cc1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,CHEMBL218997,7.365
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=N)N)cc(C(C)=O)c1,CHEMBL220766,7.72
+CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL384649,6.65
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1,CHEMBL383879,5.26
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(C(C)=O)c1,CHEMBL386493,6.48
+C#CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL220765,6.52
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1,CHEMBL220713,7.31
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(C(C)=O)c1,CHEMBL385607,6.15
+CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL376737,7.96
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(C(C)=O)c1,CHEMBL384199,6.67
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(C(C)=O)c1,CHEMBL218568,7.4
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL218262,7.16
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL386073,6.78
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1,CHEMBL220801,7.3
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221903,6.66
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1,CHEMBL220819,6.93
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221067,6.53
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C)c1,CHEMBL218174,6.24
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(C(C)=O)c1,CHEMBL217987,8.46
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1,CHEMBL219048,7.74
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,CHEMBL218581,7.38
+COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC2CC[C@H]1N2C,CHEMBL374712,6.36
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL2096860,8.22
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL2096859,6.85
+COC(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL2096858,6.45
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C,CHEMBL373385,6.41
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C,CHEMBL375889,8.23
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)N2C,CHEMBL224819,7.69
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)N2C,CHEMBL375888,8.32
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)N2C,CHEMBL222705,6.34
+COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)N2C,CHEMBL376899,6.29
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL312037,7.64
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL218082,9.02
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL610897,8.4
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(F)cc2)N3C)cc1,CHEMBL225235,7.6
+COc1ccc([C@@H]2C3CCC(C[C@H]2c2ccc(C)cc2)N3C)cc1OC,CHEMBL388825,5.83
+COc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1OC,CHEMBL388605,5.9
+COc1ccc([C@H]2C3CCC(C[C@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2096878,6.42
+COc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL224062,6.39
+Cc1ccc([C@H]2C3CCC(C[C@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL426178,6.04
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2096877,6.6
+Cc1ccc([C@H]2C3CCC(C[C@H]2c2ccccc2)N3C)cc1,CHEMBL2096876,6.0
+Cc1ccc([C@@H]2C3CCC(C[C@@H]2c2ccccc2)N3C)cc1,CHEMBL387758,5.39
+Cc1ccc([C@@H]2CC3CCC([C@@H]2c2ccccc2)N3C)cc1,CHEMBL2096875,5.82
+Cc1ccc([C@H]2CC3CCC([C@H]2c2ccccc2)N3C)cc1,CHEMBL224771,7.0
+CN1C2CCC1[C@H](c1ccccc1)[C@H](c1ccccc1)C2,CHEMBL2096874,5.43
+CN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2,CHEMBL388850,5.72
+CNCCCN1c2ccccc2CCc2ccccc21,CHEMBL72,7.7
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227179,5.57
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL2113279,5.11
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)N3C)cc1,CHEMBL376113,5.53
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL226933,5.44
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1,CHEMBL226984,6.24
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1,CHEMBL229436,5.79
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)N3C)cc1,CHEMBL436132,6.06
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Br)cc4)s2)N3C)cc1,CHEMBL375685,5.73
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1,CHEMBL229381,5.88
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)N3C)cc1,CHEMBL229699,5.76
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL388832,5.44
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)c(Cl)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388612,5.57
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL227233,5.28
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc([N+](=O)[O-])c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388760,6.13
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc([N+](=O)[O-])cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227232,5.74
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc(Br)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227231,5.82
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Br)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388759,5.24
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227180,5.62
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL390743,6.19
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1,CHEMBL429440,7.72
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1,CHEMBL232218,8.06
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)C(C)C)CC4)ccc32)cc1,CHEMBL232621,7.82
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)=O)CC4)ccc32)cc1,CHEMBL232620,7.38
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1,CHEMBL232010,7.48
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccncc5)CC4)ccc32)cc1,CHEMBL242820,8.4
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5nccs5)CC4)ccc32)cc1,CHEMBL396981,8.28
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C#N)cc5)CC4)ccc32)cc1,CHEMBL395022,8.1
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccccc5O)CC4)ccc32)cc1,CHEMBL242817,8.14
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C5CC5)CC4)ccc32)cc1,CHEMBL245130,7.74
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)C)CC4)ccc32)cc1,CHEMBL394787,8.74
+CCN1CCN(CCCOc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)CC1,CHEMBL396459,8.7
+COc1ccc(C2CN(C)Cc3cc(OCCCN(C4CC4)C4CC4)ccc32)cc1,CHEMBL232661,8.01
+COc1ccc(C2CN(C)Cc3cc(OCCCNC4CC4)ccc32)cc1,CHEMBL232660,7.71
+CCN(CC)CCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL427845,8.4
+CCNCCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL396945,8.47
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)C4)ccc32)cc1,CHEMBL234732,8.14
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CC(F)(F)C4)ccc32)cc1,CHEMBL396703,8.54
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC4)ccc32)cc1,CHEMBL234526,8.32
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCS(=O)(=O)CC4)ccc32)cc1,CHEMBL234525,7.92
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C(F)(F)F)CC4)ccc32)cc1,CHEMBL233681,7.85
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C#N)CC4)ccc32)cc1,CHEMBL394801,8.28
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(CO)CC4)ccc32)cc1,CHEMBL233471,8.49
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(O)CC4)ccc32)cc1,CHEMBL394800,8.42
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCC(F)(F)C4)ccc32)cc1,CHEMBL233470,8.09
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ccc32)cc1,CHEMBL395096,8.19
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL233053,8.19
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL394861,8.392000000000001
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706925,8.89
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706924,8.06
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706923,8.89
+N#Cc1ccc2c(N3CCN(CC[C@@H]4OCCc5cc(C(N)=O)ccc54)CC3)cccc2c1,CHEMBL391273,8.24
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL233210,8.66
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc3cc(F)ccc3c2)CC1,CHEMBL234449,8.09
+C[C@H]1CN(c2ccc3cc(F)ccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391272,8.68
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL234448,8.13
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391271,8.52
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL234447,9.1
+C#Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394158,8.46
+C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394157,8.04
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2,CHEMBL398370,8.38
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2,CHEMBL235569,6.87
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2,CHEMBL391864,7.37
+COC(=O)C1=C(c2ccc(-c3ccccc3)cc2)CCCCC1,CHEMBL232299,4.49
+COC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCCC1,CHEMBL232879,4.54
+CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCNC1,CHEMBL396754,5.52
+CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL243141,6.66
+CCOC(=O)C1=C(c2ccc3ccccc3c2)CCNC1,CHEMBL388257,6.36
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1,CHEMBL242920,5.55
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1,CHEMBL215988,6.54
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccccc1,CHEMBL388255,4.33
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccccc1,CHEMBL243204,4.57
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C,CHEMBL242338,8.31
+COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(-c2ccccc2)cc1,CHEMBL231684,4.14
+O=C(OCCF)C1C2CCC(CC1c1ccc(/C=C\I)cc1)N2,CHEMBL230000,10.1
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,9.1
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.44
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,9.6
+CNCc1cc(C#CCCN2CCCCC2)ccc1Oc1ccc(SC)cc1,CHEMBL393036,9.15
+CNCc1cc(C#CCCN2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL398981,8.44
+CNCc1cc(C#CCCN2CCN(C(C)C)C(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL393009,8.92
+CNCc1cc(C#CCCN2CCNC(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL237514,8.89
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237513,8.23
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL237512,8.96
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL235814,8.85
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL442080,7.92
+CNCc1cc(C#CCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238182,8.46
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237747,7.57
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL391074,9.05
+CNCc1cc(C#CCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL441137,7.89
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237319,8.17
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL237317,8.6
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(F)cc1Cl,CHEMBL397577,8.44
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(Cl)c1,CHEMBL397575,8.14
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1,CHEMBL236674,7.62
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL236676,7.77
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL236675,8.57
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1,CHEMBL428024,7.52
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)cc1,CHEMBL236475,8.92
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL391947,8.72
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL236047,8.74
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236046,9.1
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CN(C)C2,CHEMBL236252,7.555
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL235824,8.57
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL235614,8.48
+CNCc1cc(CCCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238143,8.7
+CNCc1cc(CCCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238141,8.85
+CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236010,8.72
+CNCc1ccc(C#CCCN2CCOCC2)cc1Oc1ccc(SC)cc1,CHEMBL235794,8.47
+CNCc1cc(Br)ccc1Oc1ccc(SC)cc1,CHEMBL237521,8.77
+CSc1ccc(C2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)n4)ccc32)cc1,CHEMBL236604,7.475
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)nc4)ccc32)cc1,CHEMBL400831,7.855
+CSc1ccc(C2CN(C)Cc3cccc(Oc4cncc(CN5CCCCC5)c4)c32)cc1,CHEMBL400830,6.435
+CSc1ccc(C2CN(C)Cc3cccc(Oc4ccnc(CN5CCCCC5)c4)c32)cc1,CHEMBL236782,6.69
+CSc1ccc(C2CN(C)Cc3cccc(Oc4cccc(CN5CCCCC5)c4)c32)cc1,CHEMBL236605,6.405
+CSc1ccc(C2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)c4)ccc32)cc1,CHEMBL400629,7.745
+CSc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL238051,8.44
+N[C@]1(C(=O)O)C[C@@H](C(=O)O)C[C@H]1C(=O)O,CHEMBL240127,5.0
+CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N,CHEMBL238867,9.6
+CN(C)Cc1cc(O)ccc1Sc1ccccc1N,CHEMBL241228,7.77
+COc1ccc(Sc2ccccc2N)c(CN(C)C)c1,CHEMBL241648,8.3
+CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N,CHEMBL397889,9.68
+CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N,CHEMBL241647,8.89
+CN(C)Cc1cc(OCCO)ccc1Sc1ccc(F)cc1N,CHEMBL241646,8.92
+CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N,CHEMBL396402,8.96
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N,CHEMBL239302,9.82
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N,CHEMBL239301,9.02
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N,CHEMBL393625,8.85
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N,CHEMBL239297,10.3
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N,CHEMBL239079,10.52
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N,CHEMBL238868,10.0
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL395609,7.89
+COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL247161,7.89
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL246955,8.302999999999999
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(OC(F)F)cc2)C1,CHEMBL246954,8.37
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(S(C)(=O)=O)cc2)C1,CHEMBL395608,6.87
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(SC(F)(F)F)cc2)C1,CHEMBL246953,7.47
+Cc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246749,7.89
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C#N)cc2)C1,CHEMBL246748,7.8
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(C(F)(F)F)c2)C1,CHEMBL246747,7.82
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C(F)(F)F)cc2)C1,CHEMBL246542,8.07
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2)C1,CHEMBL397065,7.34
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cc(Cl)ccc2Cl)C1,CHEMBL246541,6.97
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL246540,7.68
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2Cl)C1,CHEMBL246333,7.74
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(Cl)c2)C1,CHEMBL397300,7.62
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)cc2)C1,CHEMBL246332,7.96
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1Cl,CHEMBL246331,8.24
+CCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246127,8.33
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)c1,CHEMBL397299,8.37
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl,CHEMBL394732,7.49
+COc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247671,7.21
+COc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247670,7.03
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CN(C)C3)CC1,CHEMBL392933,7.51
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CNC3)CC1,CHEMBL247669,7.43
+c1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL391605,5.32
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247472,7.15
+COc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247470,6.72
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2,CHEMBL247268,5.7
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2,CHEMBL247267,7.18
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CNC2,CHEMBL247266,6.65
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CNC2,CHEMBL247265,7.59
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2F)C1,CHEMBL247063,6.11
+c1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL247062,5.63
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2)C1,CHEMBL247061,5.94
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(F)cc2)C1,CHEMBL241712,6.44
+COc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL241706,6.83
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1,CHEMBL241705,6.52
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL247094,6.83
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1,CHEMBL392429,6.08
+Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21,CHEMBL247076,5.88
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1,CHEMBL246874,6.97
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL246873,6.85
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL247683,6.92
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL198298,8.08
+CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1,CHEMBL245307,5.83
+CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1,CHEMBL248377,6.55
+CN(C)CCC(Oc1ccccc1)c1cccc(OCCCN2CCCCC2)c1,CHEMBL248376,6.7
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL248375,7.85
+CN(C)CCC(Oc1ccc(C#N)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246126,6.8
+CN(C)CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246125,8.06
+CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245921,8.4
+CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL391193,8.05
+CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245716,7.8
+CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL394322,7.34
+COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL245715,7.96
+COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245714,7.22
+Cc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245516,7.8
+CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL394321,8.0
+CN(C)CCC(Oc1ccccc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245515,7.54
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245514,7.21
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245309,6.61
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1,CHEMBL393071,7.38
+CC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245308,6.77
+c1cnn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)c1,CHEMBL392196,7.91
+c1ccn2c([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cnc2c1,CHEMBL245294,6.92
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)[nH]n1,CHEMBL397597,6.92
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)n1,CHEMBL391829,6.54
+c1ncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)s1,CHEMBL247136,7.71
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cs1,CHEMBL439389,8.3
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cs1,CHEMBL394928,8.89
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL246927,8.22
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL246716,8.57
+c1cnc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cn1,CHEMBL397643,7.06
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)nc1,CHEMBL247335,7.5
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)nc1,CHEMBL247935,7.73
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL439561,7.91
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,8.08
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)ccn1,CHEMBL393669,7.18
+c1cn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)cn1,CHEMBL246913,7.78
+O=C(OCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL248825,4.62
+O=C(OCCO)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL249214,4.3
+O=C(NCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399429,4.62
+CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,CHEMBL250689,5.54
+CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C,CHEMBL249854,4.54
+CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N,CHEMBL253182,8.9
+CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N,CHEMBL253387,9.51
+CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N,CHEMBL253184,9.54
+CSc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL257917,8.43
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270625,8.23
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL269966,7.43
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL270411,6.44
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL270396,6.27
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL270607,6.81
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,CHEMBL403148,7.55
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256390,7.62
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257743,7.41
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL404247,7.64
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256044,7.62
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402590,7.82
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL258153,7.8
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402644,8.17
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL408206,8.2
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL409877,7.96
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL273157,8.09
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270165,8.3
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272289,6.94
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL272077,8.19
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL272503,7.85
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL267267,8.3
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257909,8.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL257738,8.05
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL257221,7.92
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL257434,8.54
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C#N,CHEMBL257009,6.1
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1F,CHEMBL272698,7.39
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)c(Cl)c1,CHEMBL272917,7.44
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL403377,7.77
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C(F)(F)F,CHEMBL439246,5.85
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)cc1,CHEMBL258349,7.17
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL401867,6.63
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1F,CHEMBL402949,6.25
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL401683,6.64
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272699,7.33
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(OC)c1,CHEMBL273136,7.89
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1,CHEMBL402286,7.02
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1OC(F)(F)F,CHEMBL255127,6.15
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C#N)cc1,CHEMBL404572,7.03
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(C#N)c1,CHEMBL257208,6.91
+CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL403441,8.0
+CSc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL272003,7.04
+COc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL223166,6.73
+COC(=O)c1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL270099,6.3
+FCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL411262,6.92
+FCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL411263,6.13
+COc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL181188,8.01
+COC(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL272002,6.21
+Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1,CHEMBL270791,5.39
+CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1,CHEMBL273208,6.08
+CCCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL258291,5.55
+CCCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL258292,6.09
+Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1,CHEMBL403363,5.83
+CNCc1cnc(C)cc1Oc1ccccc1C(C)C,CHEMBL401651,5.7
+Cc1cc(Oc2ccccc2Cl)c(CN(C)C)cn1,CHEMBL401550,6.62
+CNCc1cnc(C)cc1Oc1ccccc1Cl,CHEMBL440584,7.06
+CSc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL405017,6.42
+CNCc1cnc(C)cc1Oc1ccccc1SC,CHEMBL403956,6.88
+Cc1cc(Oc2ccccc2C)c(CN(C)C)cn1,CHEMBL404885,6.63
+CNCc1cnc(C)cc1Oc1ccccc1C,CHEMBL270366,6.87
+CCOc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL429759,5.32
+CCOc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL408329,6.66
+COc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL265951,5.85
+CNCc1cnc(C)cc1Oc1ccccc1OC,CHEMBL262357,6.58
+CCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL436673,6.55
+CCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL261465,6.36
+CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C,CHEMBL256293,7.89
+CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC,CHEMBL403251,7.74
+COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@@H]1CNCCO1,CHEMBL264173,7.06
+COc1cc(Cl)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1,CHEMBL263920,7.16
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1C)[C@@H]1CNCCO1,CHEMBL264174,7.15
+COc1cc(Cl)ccc1O[C@@H](c1ccc(F)cc1)[C@@H]1CNCCO1,CHEMBL409277,7.21
+COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1,CHEMBL264159,7.24
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1F)[C@@H]1CNCCO1,CHEMBL264158,7.15
+COc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL264160,7.02
+COc1cc(C(F)(F)F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL410286,7.39
+COc1cc(Br)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL258713,7.52
+COc1cc(C#N)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL409546,6.96
+Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl,CHEMBL408230,7.0
+c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,CHEMBL258930,7.7
+c1ccc([C@H](Oc2cccc3c2OCC3)[C@@H]2CNCCO2)cc1,CHEMBL411921,5.74
+Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1F,CHEMBL264418,7.92
+Fc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1F,CHEMBL264680,5.47
+Cc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL404956,7.47
+Cc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL427563,6.73
+Fc1ccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c(Cl)c1,CHEMBL260823,7.7
+Fc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL407732,6.59
+COc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL259765,7.66
+COc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260258,6.13
+COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL408868,7.96
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,6.96
+COc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1,CHEMBL261076,7.31
+CCOc1c(Cl)cccc1OC(c1ccccc1)C1CNCCO1,CHEMBL263373,6.545
+CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL476954,8.05
+c1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1,CHEMBL478836,5.97
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL478622,5.27
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL514560,6.39
+CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL514232,5.48
+CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL477573,5.57
+CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O,CHEMBL477572,5.9
+CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL501919,5.54
+O=S(=O)(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)C(F)(F)F,CHEMBL477571,5.28
+CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478835,5.33
+CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476313,5.25
+CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL515936,5.25
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476312,5.39
+CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL516094,5.3
+CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL476320,6.35
+CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1,CHEMBL502707,6.45
+CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL516730,6.37
+CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL503378,6.12
+CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477783,6.1
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478834,5.95
+COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL517978,5.35
+CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL478833,6.64
+CSc1ccccc1CN(C(=O)C(C)C)[C@H]1CCNC1,CHEMBL518276,7.3
+CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL476527,6.88
+CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1,CHEMBL450435,6.91
+CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL476942,6.26
+CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476941,6.38
+CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476116,6.02
+CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL507723,6.14
+CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477782,5.57
+CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL479044,5.24
+O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL449235,6.06
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,5.925
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,7.25
+Clc1ccc(C23CNCC2C3)cc1Cl,CHEMBL528995,7.2
+Clc1ccc([C@@]23CNC[C@@H]2C3)cc1Cl,CHEMBL488638,6.89
+COc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1,CHEMBL470488,5.74
+Cc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL511288,6.0
+Cc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1,CHEMBL513206,6.53
+Cc1ccc([C@H]2CC3CCC([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1,CHEMBL469889,6.06
+Cc1noc([C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)c1-c1ccc(Cl)cc1,CHEMBL471899,6.41
+Cc1noc([C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)c1-c1ccc(F)cc1,CHEMBL512189,6.04
+COc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL487875,7.39
+COc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL487874,7.84
+Cc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL487873,7.05
+Cc1ccc(Cc2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL519910,7.37
+Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1,CHEMBL486042,7.07
+CN1C2CCC1[C@@H](c1cc(Cc3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL520035,7.1
+Cc1ccc([C@H]2CC3CCC([C@H]2c2cc(Cc4ccc(F)cc4)no2)N3C)cc1,CHEMBL486041,6.95
+CN1C2CCC1[C@@H](c1cc(Cc3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL488423,7.14
+COc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(C)cc3)N4C)on2)cc1,CHEMBL469888,6.44
+COc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL469887,6.27
+Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL470690,6.28
+CN1C2CCC1[C@@H](c1cc(-c3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL511466,6.18
+CC1(C)Cc2cccc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)c2O1,CHEMBL491839,8.6
+Cc1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL444398,8.2
+Cc1ncc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489195,8.7
+O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1,CHEMBL523095,8.0
+O=C1COc2ccc(CCN3CCN(c4nccc5ccccc45)CC3)cc2N1,CHEMBL490211,9.1
+O=C1COc2ccc(CCN3CCN(c4cccc5nc(-c6ccccc6)ccc45)CC3)cc2N1,CHEMBL484059,9.8
+Cc1cc(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(C)nc2c1,CHEMBL484260,7.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL521506,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL485491,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL497980,8.8
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL497979,8.4
+Cc1ccc2c(N3C[C@H]4C[C@@H]3CN4CCc3ccc4c(c3)NC(=O)CO4)cccc2n1,CHEMBL523064,8.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3C)cccc2n1,CHEMBL495705,8.0
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@H](C)C3)cccc2n1,CHEMBL521873,9.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@@H](C)C3)cccc2n1,CHEMBL495703,9.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL496520,8.3
+Cc1ccc2c(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL496317,9.1
+Cc1ccc2c(N3CCN(CCc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL489394,8.9
+CCN1C(=O)COc2ccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cc21,CHEMBL489393,7.1
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL522257,7.7
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,8.867
+CNCCC(c1ccccc1)c1c[nH]c2ccccc12,CHEMBL487763,8.05
+CCCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463585,7.8
+CCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463389,7.18
+CC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463388,6.06
+N#Cc1c[nH]c2ccc(C3(Cc4ccccc4)CCNC3)cc12,CHEMBL517305,7.18
+CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL463387,7.66
+CNC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL442924,7.89
+NC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457931,8.7
+N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457930,9.4
+CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL512551,8.4
+Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21,CHEMBL459176,8.4
+c1ccc(CCC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL504231,7.89
+COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1,CHEMBL514759,7.47
+Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL513258,7.82
+c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1,CHEMBL456654,7.28
+c1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1,CHEMBL514447,7.64
+c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1,CHEMBL486538,7.39
+c1ccc(CC2(c3ccc4sccc4c3)CCNC2)cc1,CHEMBL486537,8.15
+c1ccc(CC2(c3ccc4n[nH]cc4c3)CCNC2)cc1,CHEMBL520869,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL513715,6.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469345,8.0
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5)CC3)cccc2n1,CHEMBL512724,7.0
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5C)CC3)cccc2n1,CHEMBL472289,6.8
+CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21,CHEMBL472290,7.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C(C)C)CC3)cccc2n1,CHEMBL469567,6.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C4CC4)CC3)cccc2n1,CHEMBL469568,6.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC4CC4)CC3)cccc2n1,CHEMBL469995,6.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC(F)F)CC3)cccc2n1,CHEMBL511279,7.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL511815,8.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1,CHEMBL471047,7.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469374,8.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL513875,8.7
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469375,9.4
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL469376,9.3
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469589,9.5
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL470217,9.1
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL470849,7.4
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL55505,6.79
+Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL26649,7.44
+FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL513859,6.72
+FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468208,6.96
+O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL511756,5.85
+O=C(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL468207,7.06
+CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL512280,5.7
+CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468376,6.51
+C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL466733,5.48
+C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466538,6.37
+O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL466750,5.6
+O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL511950,6.6
+CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL469165,5.74
+CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL512636,6.82
+C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL467757,5.74
+C=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL467585,6.72
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL27907,5.89
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL283662,6.66
+Fc1ccc(C(OCCN2CCN(C[C@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL468212,6.27
+Fc1ccc(C(OCCN2CCN(C[C@@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL468211,6.54
+CO[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468573,6.6
+CO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL513858,6.66
+N[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466936,7.66
+N[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466145,7.06
+CC(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL511718,6.82
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282380,5.74
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28149,5.66
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27490,6.8
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27646,6.64
+O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26477,7.07
+O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26478,6.87
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL215376,7.54
+O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL489582,6.64
+CCOc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL522307,6.19
+CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL523965,5.98
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL490613,6.96
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccc3c(c2)OCCO3)CC1,CHEMBL491799,6.75
+COc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL478039,5.46
+CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL478040,5.22
+NCC1c2ccccc2Cc2cc(Br)ccc21,CHEMBL85882,5.92
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,6.31
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.21
+NCC1CCC(c2ccccc2)O1,CHEMBL458639,7.37
+NCC1CCC(c2ccc(Cl)cc2)O1,CHEMBL447825,5.96
+NCC1CCC(c2ccc(Br)cc2)O1,CHEMBL461268,5.95
+COc1ccc(C2CCC(CN)O2)cc1,CHEMBL451652,5.16
+NCC1CCC(c2ccc3ccccc3c2)O1,CHEMBL504028,7.35
+NCC1CCC(c2cccc3ccccc23)O1,CHEMBL456638,6.76
+NCC1CCC(CCc2ccccc2)O1,CHEMBL456639,7.17
+NCC1CCC(CCc2cccc3ccccc23)O1,CHEMBL511163,7.74
+NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1,CHEMBL452928,5.67
+NCC1CCC(CCc2cccnc2)O1,CHEMBL508678,5.34
+NCCC1CCC(Cc2ccccc2)O1,CHEMBL448912,5.42
+Cc1cc(CCC2CCC(CCN)O2)ccc1F,CHEMBL457968,6.16
+NCCC1CCC(CCc2ccc(O)cc2)O1,CHEMBL457966,5.13
+COc1ccc(F)cc1[C@H]1CC[C@H](CN)O1,CHEMBL442843,5.2
+COc1ccc(F)cc1C1CCC(CN)O1,CHEMBL457967,5.16
+COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1,CHEMBL512736,5.74
+COc1ccc(F)cc1[C@@H]1CC[C@H](CCN)O1,CHEMBL456017,5.32
+COc1ccc(F)cc1C[C@H]1CC[C@H](CN)O1,CHEMBL456221,6.72
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1,CHEMBL450987,6.82
+COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1,CHEMBL456222,7.7
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1,CHEMBL450769,7.68
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1,CHEMBL511500,8.49
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CN)O1,CHEMBL456223,7.66
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1,CHEMBL462311,8.68
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1,CHEMBL460406,7.71
+COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1,CHEMBL460407,9.1
+COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1,CHEMBL459367,8.55
+COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1,CHEMBL455221,8.4
+COc1ccc(F)cc1CCCCC1CCC(CCN)O1,CHEMBL460204,8.7
+COc1ccc(CCC2CCC(CCN)O2)c2ccccc12,CHEMBL459390,7.04
+COc1ccc2ccccc2c1CCC1CCC(CCN)O1,CHEMBL459391,7.07
+COc1ccc(F)cc1CCC1CCC(CCN)O1,CHEMBL464422,8.68
+COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1,CHEMBL505431,6.81
+COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1,CHEMBL451500,6.71
+CNCCC1CCC(CCc2cc(F)ccc2OC)O1,CHEMBL473966,7.67
+COc1ccc(CCN(C)CCN2CCCCC2)cc1,CHEMBL493384,4.28
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL526849,5.48
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL498564,5.02
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL498566,5.42
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL493369,5.15
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,6.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,5.8
+CN1[C@H]2CC[C@@H]1[C@@H](c1cn(Cc3ccccc3)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL523916,6.79
+CN1[C@H]2CC[C@@H]1[C@@H](c1cn(CCN3CCCCC3)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL496911,6.86
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL496913,7.72
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL522699,6.21
+CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494814,7.09
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C#Cc2ccccc2)N3C)cc1,CHEMBL494807,6.14
+C#C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL449047,7.74
+C#C[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL451071,7.27
+CN1[C@H]2CC[C@@H]1[C@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494624,7.12
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2C=C(Br)Br)N3C)cc1,CHEMBL524188,6.6
+CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL494626,8.15
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C=C(Br)Br)N3C)cc1,CHEMBL495464,7.41
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL494786,6.74
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL520970,6.19
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL483316,5.625
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL503609,7.91
+Cc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL179249,7.83
+FCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL505592,6.33
+FCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL466187,6.37
+Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL467432,7.03
+NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL465123,7.3
+NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL446084,7.59
+COc1ccc(C2=NN(CCCCCNCC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL454507,6.52
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL499461,7.19
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@H]2CC[C@H]1N2C,CHEMBL457865,9.02
+COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL512202,8.37
+CCOc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,CHEMBL458488,8.77
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(F)c2)C[C@H]2CC[C@H]1N2C,CHEMBL458072,8.32
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(Br)c2)C[C@H]2CC[C@H]1N2C,CHEMBL513090,8.51
+COC(=O)[C@H]1[C@@H](c2cc(Br)c(OC)c(Br)c2)C[C@H]2CC[C@H]1N2C,CHEMBL458282,8.54
+COC(=O)[C@H]1[C@@H](c2ccc(OC)c(I)c2)C[C@H]2CC[C@H]1N2C,CHEMBL457415,8.46
+COC(=O)[C@H]1[C@@H](c2cc(I)c(OC)c(I)c2)C[C@H]2CC[C@H]1N2C,CHEMBL457416,8.12
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC(C)C)N3C)cc1,CHEMBL515988,6.87
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC2CC2)N3C)cc1,CHEMBL457635,7.54
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC2CCC2)N3C)cc1,CHEMBL455937,7.0
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)N3C)cc1,CHEMBL457866,8.54
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)cc2)N3C)cc1,CHEMBL458080,8.08
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(NC(C)=O)cc2)N3C)cc1,CHEMBL457655,8.26
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)c(Br)c2)N3C)cc1,CHEMBL514424,8.39
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2cc(Br)c(N)c(Br)c2)N3C)cc1,CHEMBL516933,8.7
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)c(I)c2)N3C)cc1,CHEMBL459332,8.46
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2cc(I)c(N)c(I)c2)N3C)cc1,CHEMBL459333,9.0
+COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccc(C)cc4)no2)N3C)cc1,CHEMBL461241,6.07
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462431,9.37
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL525952,9.48
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462410,9.59
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL462585,9.48
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C/I)c1)N2,CHEMBL516825,7.82
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,5.45
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,5.66
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,5.51
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,5.58
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.0
+NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl,CHEMBL451232,5.98
+C[C@H]1CNCCc2ccc(Cl)cc21,CHEMBL360328,5.58
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,5.57
+NCC1CC1c1ccccc1Br,CHEMBL492916,5.57
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,5.42
+Cc1cccc([C@H]2C[C@@H]2CN)c1,CHEMBL445747,5.26
+CC(C)CN(C(=O)c1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL564071,6.18
+Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551935,6.93
+CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564059,6.75
+CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551471,6.46
+O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564021,7.41
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1,CHEMBL552338,6.65
+CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL561739,6.63
+CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556539,6.58
+CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556093,6.07
+O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1,CHEMBL562569,6.1
+O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1,CHEMBL549584,6.82
+CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1,CHEMBL541196,7.21
+CCCN(C(=O)c1ccccc1SC)[C@H]1CCNC1,CHEMBL549509,5.96
+CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,CHEMBL549510,7.44
+CSc1ccccc1C(=O)N(c1ccccc1)[C@H]1CCNC1,CHEMBL557660,7.19
+CSc1ccccc1C(=O)N(C1CCCCC1)[C@H]1CCNC1,CHEMBL553395,7.8
+CC(C)N(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL555121,6.34
+O=C(c1ccccc1C(F)(F)F)N(C1CCC1)[C@H]1CCNC1,CHEMBL560673,6.68
+O=C(c1ccccc1C(F)(F)F)N(CC1CC1)[C@H]1CCNC1,CHEMBL559802,6.24
+O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1,CHEMBL562533,6.95
+O=C(c1ccccc1C(F)(F)F)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL564934,6.96
+CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1,CHEMBL570781,6.11
+CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1,CHEMBL571443,5.54
+CCCN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL569364,5.28
+CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,CHEMBL550401,6.18
+CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL550402,6.48
+CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL554336,6.18
+CCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL563117,5.79
+O=C(c1ccccc1Oc1ccccc1)N(C1CCC1)[C@H]1CCNC1,CHEMBL561878,6.65
+CC(C)CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL558651,6.8
+O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1,CHEMBL564935,7.17
+CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL562802,5.97
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL563384,5.78
+CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL559319,5.7
+O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL558853,6.23
+O=C(C1CCC1)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL560999,6.73
+COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL550870,8.8
+NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL552341,8.2
+N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564285,8.6
+N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL570317,9.6
+N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL550469,8.4
+Fc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL551818,8.7
+Fc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL564094,8.9
+Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL557119,8.4
+c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1,CHEMBL571893,7.4
+c1ccc(CCN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564288,8.2
+O=C(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL555565,7.6
+CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL561599,7.4
+Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21,CHEMBL552938,8.4
+c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1,CHEMBL556714,7.9
+c1ccc(CN(c2ccc3n[nH]cc3c2)C2CCNCC2)cc1,CHEMBL561598,8.9
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNC2)cc1,CHEMBL551135,7.7
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCCNC2)cc1,CHEMBL560536,8.2
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL560535,9.1
+c1ccc(N(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL559137,6.0
+CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL550932,6.4
+CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL556299,7.5
+CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558329,7.94
+CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558065,7.48
+CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL553224,8.69
+CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558525,7.52
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2C,CHEMBL579056,9.15
+CCSc1ccc([C@H]2CC3CCC([C@H]2C(=O)OC)N3C)cc1,CHEMBL575854,8.35
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(C)C)cc1)N2C,CHEMBL579254,7.64
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(F)(F)F)cc1)N2C,CHEMBL573844,8.1
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)c(Br)c1)N2C,CHEMBL578419,9.22
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(S(C)=O)c(Br)c1)N2C,CHEMBL574020,8.49
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(S(C)=O)cc1)N2C,CHEMBL574317,8.37
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(S(C)(=O)=O)cc1)N2C,CHEMBL574543,6.68
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2,CHEMBL574544,9.72
+CCSc1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)OC)cc1,CHEMBL574546,8.9
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CCCF,CHEMBL575199,8.52
+CCSc1ccc([C@H]2CC3CCC([C@H]2C(=O)OC)N3CCCF)cc1,CHEMBL573831,7.57
+C=CCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2,CHEMBL578219,8.26
+C=CCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SCC)cc1)C2,CHEMBL575206,7.33
+CCCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2,CHEMBL573361,8.24
+CCCN1C2CCC1[C@@H](C(=O)OC)[C@@H](c1ccc(SCC)cc1)C2,CHEMBL575648,7.31
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(OC)cc1)N2C,CHEMBL574081,8.37
+Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1,CHEMBL574008,8.7
+Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1,CHEMBL573971,8.7
+Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1,CHEMBL573898,8.7
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1,CHEMBL575700,7.77
+Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1,CHEMBL583332,7.59
+Fc1cccc(OCc2ccccc2)c1C1CCNCC1,CHEMBL575930,7.55
+Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1,CHEMBL574629,7.4
+Fc1cccc(OCc2ccccc2C2CCNCC2)c1,CHEMBL573766,7.31
+c1ccc(N2CCNCC2)c(COc2ccccc2C2CC2)c1,CHEMBL575289,7.28
+Fc1ccccc1COc1ccccc1C1CCNCC1,CHEMBL573897,7.25
+c1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573769,7.13
+O=C1C(Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1,CHEMBL574126,7.09
+O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F,CHEMBL575699,7.01
+Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1,CHEMBL574231,6.8
+Clc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL575290,6.68
+Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,CHEMBL574427,6.59
+Fc1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573531,6.56
+Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL584173,6.5
+c1ccc(OCc2ccccc2C2CCNCC2)cc1,CHEMBL574348,6.44
+Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1,CHEMBL574347,6.37
+Fc1cccc(Oc2ccccc2)c1C1CCNCC1,CHEMBL574428,6.15
+c1ccc(OCc2ccccc2N2CCNCC2)cc1,CHEMBL574127,6.11
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1F,CHEMBL575714,6.11
+Fc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL583752,6.05
+Fc1ccccc1COc1ccccc1N1CCNCC1,CHEMBL575899,6.01
+Fc1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573972,6.0
+Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1,CHEMBL574004,5.98
+c1ccc(COc2ccccc2N2CCNCC2)cc1,CHEMBL582928,5.94
+c1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL575077,5.75
+c1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573532,5.73
+Fc1cccc(C2CCNCC2)c1Oc1ccccc1,CHEMBL583751,5.63
+Fc1cccc(C2CCNCC2)c1OCc1ccccc1,CHEMBL583750,5.53
+Fc1cccc(Oc2ccccc2N2CCNCC2)c1,CHEMBL573973,5.51
+Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl,CHEMBL565844,5.68
+CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL568140,5.83
+Cc1cc(C(=O)C(C)NC(C)(C)C)ccc1Br,CHEMBL565845,5.92
+CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566208,6.07
+CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566050,6.07
+CC(NC1CCC1)C(=O)c1cccc(Cl)c1,CHEMBL566418,5.46
+CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1,CHEMBL567479,5.21
+CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565594,5.21
+CC(C(=O)c1cccc(Cl)c1)N1CCCCC1,CHEMBL566420,5.26
+CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1,CHEMBL566001,5.38
+CC(NC(C)(C)C)C(O)c1ccccc1,CHEMBL157455,5.4
+CC(NC1CC1)C(=O)c1cccc(Cl)c1,CHEMBL569700,5.47
+O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL565935,7.6
+O=C1Cc2c(ccc3c2OC[C@H](CNCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1,CHEMBL566155,5.28
+O=C1Cc2c(ccc3c2OC[C@H](CNCCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1,CHEMBL1237165,7.65
+O=c1[nH]c2cccc(N3CCN(CC4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1,CHEMBL566380,7.21
+O=c1[nH]c2cccc(N3CCN(CCCC4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1,CHEMBL568103,7.21
+O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL569513,7.575
+O=c1[nH]c2cccc(OC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL567454,8.52
+O=c1[nH]c2cccc(OC3CCN(CCC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL565553,5.92
+O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL566396,9.4
+O=c1[nH]c2cccc(OCC3CCN(CCC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL569476,8.0
+O=c1[nH]c2cccc(CN3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1,CHEMBL566172,7.39
+O=C1Cc2c(cccc2N2CCN(CC3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1,CHEMBL571464,5.94
+O=C1Cc2c(cccc2N2CCN(CCC3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1,CHEMBL2094011,5.33
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccsc3)cc1)N2C,CHEMBL595677,9.24
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL596001,9.07
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595190,8.46
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL610766,8.38
+CN1C2CCC1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL606809,7.7
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL608703,7.68
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595638,7.57
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607547,7.21
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611961,7.19
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595767,6.8
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595751,6.6
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611962,6.57
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607546,6.47
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595674,6.33
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611963,6.14
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)CC1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL594388,6.09
+CN1C2CCC1[C@@H](C(=O)NCc1cccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)c1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607548,6.07
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611959,5.82
+CN1C2CCC1[C@@H](C(=O)NCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595766,5.68
+CN1C2CCC1[C@@H](C(=O)NCCC1CCN(C(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595540,5.6
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611960,5.59
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL608704,5.49
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595539,5.4
+CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL336920,8.6
+NCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL594585,8.08
+NCC[C@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL595063,7.74
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3cccc4ccccc34)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL596175,6.9
+COc1ccc(C2=NN(CCCCCNCC[C@H](Oc3cccc4ccccc34)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL596185,6.14
+O=C1NCCc2cc(F)c3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL595744,7.57
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3c(c2C1)C(=O)NCC3,CHEMBL595055,7.82
+O=C1NCCc2cc(F)c3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL592939,6.95
+O=C1NCCc2ccc3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL606149,8.0
+CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL604063,7.77
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL594788,7.52
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL592953,7.21
+CC(C)N(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL592951,8.1
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL593865,7.59
+CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NCC3,CHEMBL594807,6.74
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1)CO3,CHEMBL594357,7.55
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CCC(F)(F)F)CO3,CHEMBL605919,6.47
+O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3,CHEMBL610163,6.17
+O=C1NCc2ccc3c(c21)CC(NCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL594829,8.1
+CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NC3,CHEMBL592028,8.05
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NC3,CHEMBL592029,8.1
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL607419,8.113
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1)CO3,CHEMBL591561,7.2
+CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3c(c2C1)C(=O)NC3,CHEMBL594219,6.21
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)CC1CCCCC1)CO3,CHEMBL603835,5.91
+O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3,CHEMBL593281,7.51
+N#Cc1ccc2[nH]cc(CCCNC3COc4ccc5c(c4C3)C(=O)NC5)c2c1,CHEMBL606864,7.89
+N#Cc1ccc2[nH]cc(CCCCN(CC3CC3)C3COc4ccc5c(c4C3)C(=O)NC5)c2c1,CHEMBL596297,7.763
+O=C1NCc2ccc3c(c21)CC(NCCCCc1c[nH]c2ccc(F)cc12)CO3,CHEMBL595622,7.7
+O=C1NCc2ccc3c(c21)CC(N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3,CHEMBL589141,6.86
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.61
+Cc1ccc(Sc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592696,7.89
+Cc1ccc(Oc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592697,8.15
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,8.1
+Cc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1,CHEMBL589086,6.28
+Cc1ccc(Oc2ccc(OCCF)cc2CN(C)C)c(N)c1,CHEMBL591514,6.4
+Cc1ccc(Oc2cc(OCCCF)ccc2CN(C)C)c(N)c1,CHEMBL589177,6.35
+Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1,CHEMBL589178,8.15
+Cc1ccc(Oc2ccc(OCCCCF)cc2CN(C)C)c(N)c1,CHEMBL589179,7.92
+Fc1ccccc1Oc1cccc(F)c1C1CCNCC1,CHEMBL598346,5.9
+c1ccc(Oc2ncccc2C2CCNCC2)cc1,CHEMBL608148,5.72
+Fc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597530,6.14
+Clc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL609904,7.24
+COc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597531,6.21
+Cc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596714,6.53
+FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596715,6.69
+Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl,CHEMBL600854,8.7
+Fc1cccc(Oc2ncccc2C2CCNCC2)c1F,CHEMBL611677,6.96
+Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL599371,7.44
+Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1,CHEMBL598562,8.57
+Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL598767,7.52
+Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1,CHEMBL598560,6.6
+COc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL598561,6.05
+Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1,CHEMBL597134,6.71
+Fc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL597135,5.73
+Cc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL599592,6.99
+Clc1ccc([C@]2(CCOC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL611367,9.7
+CCC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596806,9.5
+CC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596805,9.5
+CCOCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL609023,9.3
+COCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL602323,9.5
+CCC(C)OC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL598228,9.6
+FC(F)(F)COC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL610220,9.0
+Clc1ccc([C@]2(COC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL590472,9.4
+Clc1ccc([C@]2(COCC3CC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL598644,9.2
+CCOC[C@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021583,5.6
+CCOC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021582,9.3
+Cc1csc(C[C@@H]2[C@H]3CNC[C@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL603480,7.8
+Cc1csc(C[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL597000,9.9
+Cc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL596796,9.0
+Cc1cnc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)o1,CHEMBL596795,7.8
+CCOCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL597608,9.1
+COCC[C@H]1[C@@]2(c3ccc(Cl)c(Cl)c3)CNC[C@]12C,CHEMBL2021581,7.5
+COCC[C@H]1[C@]2(C)CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL2021580,9.35
+OCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL598216,8.6
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc2ccccc2c1,CHEMBL598215,10.1
+CCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL600645,9.0
+CSC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599242,7.6
+CSC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL599241,9.25
+CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL611990,8.4
+Fc1ccc(OC[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)cc1,CHEMBL599240,8.9
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCCC2)cc1Cl,CHEMBL605119,9.0
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCCC2)cc1Cl,CHEMBL596989,8.1
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCC2)cc1Cl,CHEMBL596987,9.45
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCC2)cc1Cl,CHEMBL596784,7.6
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCC2)cc1Cl,CHEMBL611063,9.35
+CC(C)OC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL605209,9.9
+FC(F)(F)COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL597190,9.2
+CCOC[C@H]1[C@@H]2CN(C)C[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL605502,8.9
+CCOC[C@H]1[C@@H]2CNC[C@@]21C,CHEMBL2021577,7.6
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,9.7
+CCCOC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL598825,9.6
+Clc1ccc([C@]23CNC[C@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL607871,7.5
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599638,7.59
+COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL596809,9.023
+COC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL603540,7.14
+OC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL606120,7.81
+OC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL592375,7.29
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL610795,9.5
+O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3,CHEMBL1079460,8.64
+Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCC2,CHEMBL1080884,7.68
+CCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1078312,7.54
+CCCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080069,7.8
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080787,8.22
+O=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1,CHEMBL1080788,7.41
+O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1,CHEMBL1080789,7.82
+CC(C)(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080790,8.4
+O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1,CHEMBL1080968,8.22
+CCC(CC)N(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080969,7.7
+O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1,CHEMBL1079263,8.22
+O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCNC1,CHEMBL1079264,8.52
+CC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1,CHEMBL1079265,8.52
+CC(C)CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCNC1,CHEMBL1077647,7.27
+CC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1,CHEMBL1078741,8.22
+CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1,CHEMBL1078742,8.4
+CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1,CHEMBL1078743,7.72
+CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@H]1CCNC1,CHEMBL1077638,7.96
+Cc1c(Cl)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078162,8.52
+Cc1c(F)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078163,7.89
+CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCNC1,CHEMBL1078164,7.82
+CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCNC1,CHEMBL1078073,8.0
+CC(C)CN(C(=O)c1cccc(F)c1C(F)(F)F)[C@H]1CCNC1,CHEMBL1078074,7.6
+CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1,CHEMBL1078076,8.15
+CC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL1078169,5.88
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCNC1,CHEMBL1078170,7.89
+CSc1ccc(CC(C)N)cc1,CHEMBL6467,6.35
+CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3c(c2)NC(=O)CC3)ccc1F,CHEMBL1087585,8.3
+CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3c(c2)NC(=O)CC3)c1,CHEMBL1087818,8.77
+O=C1CCc2ccc(CC3C4CCC3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1,CHEMBL1087817,8.82
+O=C1CCc2ccc(CC3CC4CCC(C3)N4C[C@@H]3COc4c(ccc5c4CC(=O)N5)O3)cc2N1,CHEMBL1088000,9.59
+CS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F,CHEMBL1087872,7.52
+CS(=O)(=O)Nc1cccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,CHEMBL1087745,7.66
+O=C1CCc2ccc(OC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1,CHEMBL1087744,7.7
+CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F,CHEMBL1087743,7.7
+CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,CHEMBL1088560,7.72
+O=C1CCc2ccc(CC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1,CHEMBL1087455,8.72
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087454,7.03
+O=C1CCc2ccc(OCCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087453,7.03
+O=C1CCc2ccc(OCCN3CCN(c4cccc5[nH]c(=O)oc45)CC3)cc2N1,CHEMBL1087452,6.27
+CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL1085510,7.8
+Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL1084971,8.1
+CC(C)Oc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1083405,7.74
+c1ccc(C(Cc2ccccc2OC2CC2)N2CCNCC2)cc1,CHEMBL1083705,7.72
+c1ccc(C(Cc2ccccc2OCC2CC2)N2CCNCC2)cc1,CHEMBL1083706,7.72
+c1ccc(C(Cc2cccc3c2OCC3)N2CCNCC2)cc1,CHEMBL1083707,8.1
+COc1c(F)cccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1086273,8.7
+COc1cccc(F)c1CC(c1ccccc1)N1CCNCC1,CHEMBL1086274,8.05
+Fc1cccc(OC(F)F)c1CC(c1ccccc1)N1CCNCC1,CHEMBL1086275,7.72
+COc1ccccc1CC(c1ccccc1F)N1CCNCC1,CHEMBL1085959,8.0
+COc1ccccc1CC(c1cccc(F)c1)N1CCNCC1,CHEMBL1085321,8.1
+COc1ccccc1CC(c1ccc(F)cc1)N1CCNCC1,CHEMBL1085567,8.1
+Fc1ccccc1C(Cc1ccccc1OC(F)F)N1CCNCC1,CHEMBL1084309,7.77
+Fc1cccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)c1,CHEMBL1084577,7.92
+Fc1ccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)cc1,CHEMBL1083425,8.05
+Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1,CHEMBL1083426,7.59
+Fc1cccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1,CHEMBL1083427,7.8
+Fc1ccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1,CHEMBL1084033,7.627000000000001
+CC(N)Cc1ccc2c(c1)OCO2,CHEMBL6731,5.64
+c1cc2n[nH]cc2cc1N1CCNC[C@H]1CC1CCOCC1,CHEMBL1171007,9.0
+c1cc2n[nH]cc2cc1N1CCNC[C@@H]1CC1CCOCC1,CHEMBL1170397,7.1
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCOCC1,CHEMBL1170396,8.4
+COCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169916,8.7
+CCOCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170213,7.8
+COCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1171425,6.8
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCCCC1,CHEMBL1171424,7.4
+CC(C)CC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172526,8.3
+CCCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172525,8.4
+CCC[C@@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172524,8.2
+CCC[C@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169912,7.5
+CCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170374,7.8
+c1ccc(CCC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1170373,8.4
+c1ccc(C2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1169733,7.7
+c1ccc(CC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1171975,8.9
+c1ccc(CC2CNCCN2c2cnc3[nH]ccc3c2)cc1,CHEMBL1170212,7.2
+Fc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170211,7.8
+Clc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170210,8.5
+COc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170209,7.3
+NC(=O)c1cc2cc(N3CCNCC3Cc3ccccc3)ccc2[nH]1,CHEMBL1170017,8.1
+NC(=O)c1c[nH]c2ccc(N3CCNCC3Cc3ccccc3)cc12,CHEMBL1170795,7.0
+Cn1ccc2cc(N3CCNCC3Cc3ccccc3)ccc21,CHEMBL1170794,8.1
+Clc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl,CHEMBL1170793,7.8
+CNc1ccc(N2CCNCC2Cc2ccccc2)cc1,CHEMBL1170585,7.1
+c1ccc(CC2CNCCN2c2ccccc2)cc1,CHEMBL1171392,7.8
+c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1,CHEMBL1171391,7.9
+COC[C@@]12CN(C(C)C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1172760,6.2
+COC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1170233,7.9
+COC[C@@]12CNC[C@@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173086,6.6
+COC[C@@]12CNC[C@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173085,7.0
+COC[C@@]12CNC[C@@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173520,8.4
+COC[C@@]12CNC[C@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173519,8.3
+COC[C@@]12CN[C@@H](C)C[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173416,8.1
+CC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173754,9.0
+CC#CNC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173753,7.0
+NC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173752,7.0
+CCOC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173751,7.8
+FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173594,8.2
+COC[C@@]12CNCC[C@]1(c1ccc(C(F)(F)F)c(Cl)c1)C2,CHEMBL1173415,7.8
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(C(F)(F)F)c1)C2,CHEMBL1173414,7.8
+COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2,CHEMBL1173413,8.8
+COC[C@@]12CNCC[C@]1(c1ccc(OC(F)(F)F)cc1)C2,CHEMBL1169622,8.5
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)cc1)C2,CHEMBL1173412,7.8
+COC[C@@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1173342,8.0
+COC[C@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172381,7.3
+Clc1ccc([C@@]23CCNC[C@@H]2C3)cc1Cl,CHEMBL1237064,7.632999999999999
+COC[C@@H]1[C@@H]2CCNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172919,7.5
+Clc1ccc([C@]23CNCC[C@H]2C3)cc1Cl,CHEMBL1173341,6.867000000000001
+Clc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl,CHEMBL1173607,9.5
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C/C=C/CF,CHEMBL1214005,6.45
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/CF,CHEMBL1214006,7.95
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C/C=C/CF,CHEMBL1214007,8.07
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C/C=C/CF,CHEMBL1214059,8.66
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/CF,CHEMBL1214060,6.83
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,CHEMBL1224562,8.2
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224402,8.65
+CC(C)CC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224490,9.2
+CCOCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224491,8.5
+CCCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224492,9.05
+CC(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224320,9.25
+CC(C)(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224321,9.2
+Cc1ccc(C(=O)C2(CCC(C)(C)C)CCNC2)cc1Cl,CHEMBL1224399,9.0
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL1224400,8.8
+CC(C)(C)CCC1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1,CHEMBL1224401,8.5
+CC(C)(C)CCC1(C(=O)c2cc(Cl)c(Cl)s2)CCNC1,CHEMBL1224241,8.3
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1,CHEMBL1224316,7.9
+CC(C)(C)CCC1(C(=O)c2ccc(N)c(Cl)c2)CCNC1,CHEMBL1224317,9.0
+CC(C)(C)CCC1(C(=O)c2cnc(N)c(Cl)c2)CCNC1,CHEMBL1224318,7.5
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCNC1,CHEMBL1224319,9.2
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3s2)CCNC1,CHEMBL1224237,9.0
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3[nH]2)CCNC1,CHEMBL1224238,8.2
+CC(C)(C)CCC1(C(=O)c2ccc3ccccc3n2)CCNC1,CHEMBL1224239,8.7
+Cc1cccc2nc(C(=O)C3(CCC(C)(C)C)CCNC3)ccc12,CHEMBL1224240,9.7
+CCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1,CHEMBL1224164,8.7
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCCN1,CHEMBL1224165,8.2
+CCC[C@@]1(C(=O)c2ccc(Cl)c(Cl)c2)CCCN1,CHEMBL1224025,8.1
+CCCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224089,8.7
+CC(C)CC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224090,9.4
+CC(C)OCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224091,8.9
+CCCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224092,7.8
+CC(C)CC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224093,8.6
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224094,8.3
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CNC1,CHEMBL1224095,6.1
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1,CHEMBL1224160,5.9
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCNC1,CHEMBL1224161,7.9
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNCC1,CHEMBL1224162,8.1
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCCNC1,CHEMBL1224163,7.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1,CHEMBL1242904,7.7
+Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241547,7.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1,CHEMBL1241548,7.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C(F)(F)F)cn4-5)CC3)cccc2n1,CHEMBL1241641,7.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4cncn4-5)CC3)cccc2n1,CHEMBL1241642,7.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnc(C)n4-5)CC3)cccc2n1,CHEMBL1241738,6.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C)nnn4-5)CC3)cccc2n1,CHEMBL1241546,8.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1,CHEMBL1241639,7.3
+CCOC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241640,7.8
+CC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241736,7.5
+CO/N=C(\C)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241737,7.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241824,7.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C#N)ncn4-5)CC3)cccc2n1,CHEMBL1241825,6.9
+CNC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241912,7.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,7.52
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241998,8.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242081,7.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242167,7.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242257,8.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NCC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242345,8.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242436,8.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242533,7.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242623,8.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242717,7.3
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258881,7.965
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258535,7.81
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258763,7.845
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258879,7.59
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258534,7.51
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258314,7.52
+O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258428,7.26
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258199,7.28
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1257969,7.07
+O=C1NCc2cc(F)c(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258762,6.96
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(F)c21,CHEMBL1258085,6.8
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21,CHEMBL1258313,6.59
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21,CHEMBL1258084,5.6
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21,CHEMBL1258427,5.57
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258087,8.06
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cc(F)ccc34)CC1)C(=O)NC2,CHEMBL1258086,7.87
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257384,7.69
+Cc1c(OCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257736,7.67
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1257385,7.34
+Cc1c(OCCCCN2CCN(c3cccc4cc(F)ccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257737,7.33
+O=C1NCc2cc(Cl)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257263,7.17
+O=C1NCc2cc(Cl)c(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1257264,7.02
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(Cl)c21,CHEMBL1258882,6.98
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257971,6.93
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4cccc(F)c34)CC1)C(=O)NC2,CHEMBL1257970,6.76
+Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257494,6.71
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257147,6.67
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)c(Cl)c21,CHEMBL1257146,6.64
+Cc1c(OCCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257616,6.53
+Cc1c(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2,CHEMBL1257495,6.41
+Cc1c(OCCCN2CCN(c3cccc4cccc(F)c34)CC2)ccc2c1C(=O)NC2,CHEMBL1257615,6.36
+Cc1cc2c(cc1OCCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257859,6.3
+Cc1cc2c(cc1OCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2,CHEMBL1257858,5.98
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.05
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,6.5
+CNCCC(c1ccccc1)c1cccc2ccccc12,CHEMBL1277686,8.62
+CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12,CHEMBL1277411,8.15
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290486,6.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290487,7.9
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5)CC3)cccc2n1,CHEMBL1290596,7.3
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5C)CC3)cccc2n1,CHEMBL1290597,7.6
+Cc1ccc2c(N3CCN(CCc4cccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1290715,6.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1290716,8.6
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1,CHEMBL1289047,7.0
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289048,7.9
+Cc1ccc2c(N3CCN(CCc4c(F)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289163,7.9
+Cc1ccc2c(N3CCN(CCc4c(Cl)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289164,7.8
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cc(F)cc2n1,CHEMBL1289276,8.0
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@H](C)C3)cccc2n1,CHEMBL1289277,8.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL1289394,9.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1287827,8.6
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1,CHEMBL1289509,9.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289510,9.3
+Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1,CHEMBL1289617,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)C(C)(C)C3)cccc2n1,CHEMBL1289618,9.6
+Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1,CHEMBL1289721,8.9
+c1ccc(Oc2ccccc2OC2CNC2)cc1,CHEMBL1645596,5.57
+Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1,CHEMBL1645599,5.77
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1,CHEMBL1645601,5.94
+Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1,CHEMBL1645605,7.03
+Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645608,5.69
+Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645609,5.49
+Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1,CHEMBL1645613,5.65
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C/C=C/I,CHEMBL1643897,6.3
+CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL173861,7.24
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.0
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL296602,9.7
+Cc1cnc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)o1,CHEMBL1818443,8.2
+Cc1csc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818444,9.3
+Cc1cc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)no1,CHEMBL1818446,8.1
+Cc1noc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818447,8.1
+Cc1csc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818448,10.0
+Cc1coc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818449,8.7
+Cc1ncoc1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818450,8.5
+Cc1cnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818453,9.1
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818454,9.4
+FC(F)(F)c1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818456,8.7
+FC(F)(F)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818457,8.7
+N#Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818458,8.3
+N#Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818459,9.0
+Cc1cc(C(F)(F)F)nn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818460,9.0
+Cc1cc(C(F)(F)F)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818461,9.1
+CC(C)(C)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818462,9.6
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cccc2)C3)cc1Cl,CHEMBL1818463,9.4
+N#Cc1cccn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818464,8.6
+N#Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818465,9.2
+Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818466,9.3
+Cc1ccc(C)n1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818467,8.6
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818468,8.7
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cncn2)C3)cc1Cl,CHEMBL1818469,8.4
+Cc1nc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818542,8.5
+CC(C)c1nnnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818544,7.2
+CC(C)c1nnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818545,9.1
+Clc1ccc([C@]23CCNCC2(Cn2ccc4ccccc42)C3)cc1Cl,CHEMBL1818546,8.9
+Clc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl,CHEMBL1818441,9.6
+Clc1ccc([C@]23CCNCC2(Cn2cc4ccccc4n2)C3)cc1Cl,CHEMBL1818547,9.7
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,6.53
+Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12,CHEMBL1836102,8.21
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,5.89
+CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,CHEMBL253376,5.95
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL135,5.24
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,5.71
+CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL418971,4.97
+CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,CHEMBL990,6.12
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,5.59
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.15
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.74
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,5.12
+Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,CHEMBL153479,5.74
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.75
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.43
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.91
+CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CHEMBL311469,5.49
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.37
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.19
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.13
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.65
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.64
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,CHEMBL193482,5.26
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1405,5.55
+CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1200623,7.37
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.58
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,6.1
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,7.54
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.93
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,6.05
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,7.89
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.66
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.69
+COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,CHEMBL1771,6.52
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,5.85
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.1
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,5.48
+COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,CHEMBL52440,8.84
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.51
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,6.91
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,6.0
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.18
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.47
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.24
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.09
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.79
+COc1cc(NC(C)CCCN)c2ncccc2c1,CHEMBL506,8.08
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.61
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.34
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1162,5.62
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,5.67
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,7.6
+C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,CHEMBL2107797,6.23
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,6.46
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,8.16
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,6.37
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,6.69
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.21
+CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,CHEMBL1201237,5.58
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,CHEMBL1201151,7.66
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,5.96
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,6.38
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,6.97
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,5.69
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,6.55
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,5.93
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,5.8
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,6.59
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.99
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.9
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,6.4
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.91
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,7.12
+CC(C)NC[C@@H](O)COc1cccc2ccccc12,CHEMBL275742,6.49
+C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C,CHEMBL2103774,7.32
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,6.18
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.18
+CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,CHEMBL1419,5.96
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.22
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.72
+CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914699,7.69
+CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914698,7.96
+CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914697,7.98
+CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914696,8.13
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914695,4.54
+CN1C2CCC1[C@@H](C(=O)Nc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914694,4.99
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914693,4.81
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914692,5.49
+C[C@H](N)Cc1ccccc1,CHEMBL612,5.24
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C(\I)C(F)(F)F,CHEMBL1947087,6.6
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL41140,9.77
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,7.52
+Fc1cccc(CCCN2CCCC2)c1,CHEMBL2030637,5.36
+O=C(NC1CCCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031873,6.77
+C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031876,6.49
+C[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031877,6.41
+CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1,CHEMBL2031884,6.52
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C1=O,CHEMBL2031885,6.09
+N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,CHEMBL439849,9.3
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,7.47
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,7.19
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946258,8.28
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,7.19
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,5.93
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,6.78
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.04
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,5.88
+c1ccc2c(c1)CN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037523,6.73
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037524,6.31
+O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037518,6.15
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,6.25
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,6.55
+O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1,CHEMBL2037527,6.63
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,7.09
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,6.53
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,7.19
+Cc1c(Sc2ccc(Cl)cc2)c2ncccc2n1CC(=O)O,CHEMBL2181744,6.84
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,5.71
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,8.8
+CCCN1CCC(c2cc3ccccc3s2)CC1,CHEMBL2207498,6.89
+CCCN1CCC(c2ccc3ccccc3c2)CC1,CHEMBL2207497,6.9
+CCCN1CCC(c2cccc3ccccc23)CC1,CHEMBL2207496,7.28
+CCCN1CCC(N2C(=O)C(=O)c3ccccc32)CC1,CHEMBL2207495,4.62
+CCCN1CCC(n2c(=O)n(C)c3cc(Cl)ccc32)CC1,CHEMBL2207494,5.65
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,5.45
+CCCN1CCC(n2cnc3ccccc32)CC1,CHEMBL2207492,6.91
+CCCN1CCC(n2ccc3ccccc32)CC1,CHEMBL2207491,7.27
+CCCN1CCC(c2[nH]nc3ccccc23)CC1,CHEMBL2207490,5.25
+CCCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL2207489,4.53
+CCCN1CCC(c2coc3ccccc23)CC1,CHEMBL2207488,6.08
+CCCN1CCC(c2csc3ccccc23)CC1,CHEMBL2207487,8.19
+CCCN1CCC(c2cn(C)c3ccc(F)cc23)CC1,CHEMBL2207486,7.24
+CCCN1CCC(c2cn(C)c3cc(F)ccc23)CC1,CHEMBL2207485,7.35
+CCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL2207484,7.35
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205814,5.37
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.26
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.35
+Cc1ccc2c(c1)CN(C)C[C@H]2c1cccc(F)c1,CHEMBL2206511,5.64
+Cc1ccc2c(c1)CN(C)CC2c1ccc(Cl)cc1,CHEMBL2206510,6.94
+Cc1ccc2c(c1)CN(C)C[C@H]2c1ccc(F)cc1,CHEMBL2206509,6.64
+Cc1ccc2c(c1)CN(C)CC2c1cc(F)cc(F)c1,CHEMBL2206508,5.67
+Cc1ccc2c(c1)CN(C)CC2c1cccc(Cl)c1,CHEMBL2206507,6.47
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206536,6.23
+Cc1ccc(C2CN(C)Cc3cc(C)ccc32)cc1,CHEMBL2206535,6.92
+CN1Cc2cc(O)ccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206534,6.54
+COc1ccc2c(c1)CN(C)CC2c1ccc(C)c(F)c1,CHEMBL2206533,6.95
+COc1ccc2c(c1)CN(C)CC2c1cccc(C)c1,CHEMBL2206532,6.32
+COc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206531,6.28
+CN1Cc2cc(F)ccc2C(c2ccccc2)C1,CHEMBL2206530,5.83
+Cc1ccc(C2CN(C)Cc3c(C)cccc32)cc1,CHEMBL2206529,6.09
+Cc1cc(C2CN(C)Cc3ccccc32)ccc1F,CHEMBL2206527,6.93
+Cc1ccc(C2CN(C)Cc3ccccc32)cc1F,CHEMBL2206526,6.99
+CN1Cc2ccccc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL2206525,7.09
+CN1Cc2ccccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206524,6.58
+CN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1,CHEMBL400964,5.955
+CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1,CHEMBL51697,5.975
+COc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206521,5.8
+Cc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206520,5.55
+Cc1ccc2c(c1C)CN(C)CC2c1ccccc1,CHEMBL207867,5.76
+CCOc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206519,6.45
+COc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206518,5.84
+CCc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206517,6.12
+Cc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206516,5.91
+CN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL2206515,5.82
+CN1Cc2c(O)cccc2C(c2ccccc2)C1,CHEMBL2206514,5.69
+COc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206513,5.37
+Cc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206512,5.84
+CN1Cc2c(N)cccc2C(c2ccccc2)C1,CHEMBL273575,5.75
+CN(C)Cc1cc(I)ccc1Sc1ccccc1CO,CHEMBL2314217,10.52
+O=C(OCCF)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2,CHEMBL2314215,10.1
+CN(C)Cc1cc(I)ccc1Sc1ccccc1N,CHEMBL2314216,9.0
+OCC[C@]1(c2cc3ccccc3o2)CCCNC1,CHEMBL2321993,6.64
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321992,6.6
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321991,7.38
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2321990,6.64
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2326695,7.51
+COCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326694,6.27
+OCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326693,6.82
+Clc1ccc(C2CCCCNC2)cc1Cl,CHEMBL2326692,6.85
+CN1CCCCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326691,6.59
+C1=CCC(c2cc3ccccc3o2)CNC1,CHEMBL2326690,6.62
+CN1CC=CCC(c2cc3ccccc3o2)C1,CHEMBL2326689,6.1
+Fc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2326686,5.82
+Cc1cc(C2CC=CCN(C)C2)ccc1Cl,CHEMBL2326684,6.57
+Cc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2322002,6.22
+C1=CCC(c2ccc3ccccc3c2)CNC1,CHEMBL2322001,7.2
+Clc1ccc([C@@H]2CC=CCNC2)cc1Cl,CHEMBL2322000,6.38
+Clc1ccc([C@H]2CC=CCNC2)cc1Cl,CHEMBL2321999,6.66
+Clc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2321998,6.66
+CN1CC=CC[C@@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321997,6.89
+CN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321996,7.08
+CN1CC=CCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321995,7.0
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc4cccc(-c5ccc6c(c5)COC6(CCCN(C)C)c5ccc(F)cc5)c4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2336610,6.65
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(N)c3)ccc21,CHEMBL1215761,6.41
+CN1CCc2c(cccc2C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCCCC2)C1,CHEMBL2338351,7.8
+NC(=O)CCCc1c[nH]c2ccc(F)cc12,CHEMBL2347181,6.2
+N#CCCCc1c[nH]c2ccc(F)cc12,CHEMBL2347179,6.74
+NCC(N)CCc1c[nH]c2ccc(F)cc12,CHEMBL2347178,7.92
+N#CSCCCc1c[nH]c2ccc(F)cc12,CHEMBL2347177,6.67
+ONCCCc1c[nH]c2ccc(F)cc12,CHEMBL2347176,7.7
+CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O,CHEMBL2347175,7.92
+CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O,CHEMBL2346670,6.76
+NCCSCCCc1c[nH]c2c(F)cccc12,CHEMBL2347171,6.27
+NCCSCCc1c[nH]c2c(F)cccc12,CHEMBL2347170,7.62
+NCCSCCCc1c[nH]c2ccc(F)cc12,CHEMBL2347169,9.05
+NCCSCCc1c[nH]c2ccc(F)cc12,CHEMBL2347168,8.64
+OCCNCCCc1c[nH]c2ccc(F)cc12,CHEMBL2347167,7.21
+OCCNCCc1c[nH]c2ccc(F)cc12,CHEMBL2347166,8.0
+Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1,CHEMBL2347165,7.28
+Fc1ccc2[nH]cc(CCCN3CCN(c4ccccc4)CC3)c2c1,CHEMBL2347034,7.44
+NCCCCc1c[nH]c2c(F)cccc12,CHEMBL2347032,8.1
+NCCCc1c[nH]c2c(F)cccc12,CHEMBL2347030,7.62
+NCCc1c[nH]c2c(F)cccc12,CHEMBL205229,7.54
+CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,CHEMBL1118,7.82
+COc1ccc(O[C@H](CC(C)C)[C@@H]2CCNC2)c(C)n1,CHEMBL2386166,9.12
+COc1ccc(O[C@@H](CC(C)C)[C@@H]2CCNC2)c(C)n1,CHEMBL2386165,9.08
+COc1ccc(O[C@H](CC(C)C)[C@H]2CCNC2)c(C)n1,CHEMBL2386164,9.64
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,5.997000000000001
+O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CHEMBL394755,5.42
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.7
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,6.15
+COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432046,7.15
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.38
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.66
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL538876,6.3
+O=C(OCCF)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105243,8.62
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL1945251,8.82
+O=C(O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105242,7.15
+NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126730,6.57
+NCCSC(c1ccccc1)c1ccccc1,CHEMBL1516187,6.16
+CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126751,5.08
+COc1cc2c(cc1OC)CN(C)CC2,CHEMBL1196025,4.33
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,7.175
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233143,7.51
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccncc3)CC[C@@H]12,CHEMBL3233407,7.0
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCOc3ccc(F)cc3)CC[C@@H]12,CHEMBL3233409,7.57
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCNC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233410,5.71
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3[nH]nc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233413,7.05
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCc3cc4c(cc3Cl)NC(=O)C4)CC[C@@H]12,CHEMBL3233415,7.55
+Cc1ccn2c(=O)c(CCN3CC[C@H]4[C@@H](C3)c3cccc5c3N4CCN5C)c(C)nc2c1,CHEMBL3233416,7.24
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,7.01
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,9.0
+Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1,CHEMBL3260335,7.57
+FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1,CHEMBL3260336,6.91
+C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1,CHEMBL3260337,6.65
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCCC4(c5ccc(F)cc5)OCc5cc(C#N)ccc54)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL3287654,6.67
+CN(C)Cc1ccc2c(c1)CN(C)CC2c1ccc2sccc2c1,CHEMBL3323179,8.47
+CN1Cc2ccccc2C(c2ccc3[nH]ccc3c2)C1,CHEMBL3323101,6.86
+CN1Cc2ccccc2C(c2cc3ccccc3s2)C1,CHEMBL3323097,8.0
+CN1Cc2ccccc2C(c2ccc3sccc3c2)C1,CHEMBL3323095,8.4
+CN1Cc2ccccc2C(c2cccc3ccoc23)C1,CHEMBL3323094,7.72
+CN1Cc2ccccc2C(c2cc3ccccc3o2)C1,CHEMBL3323091,7.03
+CN1Cc2ccccc2C(c2ccc3ccoc3c2)C1,CHEMBL3323090,6.6
+CN1Cc2ccccc2C(c2ccc3occc3c2)C1,CHEMBL3323089,7.72
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1,CHEMBL3323088,6.64
+CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3323182,8.15
+CN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3323105,7.64
+CN1Cc2ccccc2C(c2ccc3n[nH]cc3c2)C1,CHEMBL3323104,6.74
+CN1Cc2ccccc2C(c2ccc3cc[nH]c3c2)C1,CHEMBL3323102,7.86
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,5.73
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,5.65
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,6.8
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,6.38
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.59
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,6.5
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.64
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.99
+CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)CCc1ccc([N-][N+]#N)c(I)c1,CHEMBL3586681,6.64
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CNC(=O)CCc3ccc([N-][N+]#N)c(I)c3)ccc21,CHEMBL3586682,7.42
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CNC(=O)c3ccc([N-][N+]#N)c(I)c3)ccc21,CHEMBL3586683,7.62
+OCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(O)CCO4)CC2)ccc1Br,CHEMBL3656907,7.14
+COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C(O)CO4)CC2)ccc1Br,CHEMBL3656908,8.57
+O=C1c2cc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)ccc2OCC1O,CHEMBL3656909,7.74
+O=C1c2cc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)ccc2OCC1O,CHEMBL3656910,7.96
+COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br,CHEMBL3656911,9.57
+O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)cc12,CHEMBL3656912,8.46
+O=C1CCOc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc21,CHEMBL3656913,8.19
+O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12,CHEMBL3656914,8.77
+COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)CC(O)O4)CC2)ccc1Br,CHEMBL3656915,8.89
+COCCOc1cc(CC2CCN(CC(O)c3ccc4c(c3)C(=O)CCO4)CC2)ccc1Br,CHEMBL3656916,8.66
+COCCOc1cc(CC2CCNCC2)ccc1Br,CHEMBL3656922,6.42
+OCCOc1cc(CC2CCNCC2)ccc1Br,CHEMBL3656923,6.64
+O=C(O)COc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C(O)CO4)CC2)ccc1Br,CHEMBL3656917,6.15
+COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br,CHEMBL3656920,9.06
+Oc1cc(CC2CCN(CCc3ccc4c(c3)C(O)CCO4)CC2)ccc1Br,CHEMBL3656921,7.39
+Cc1ccc(C2CN(C)Cc3ccccc32)o1,CHEMBL3663909,5.12
+COc1c(C2CN(C)Cc3ccccc32)ccc2sccc12,CHEMBL3663915,8.37
+CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663914,8.48
+Cc1ccc(C2CN(C)Cc3ccccc32)s1,CHEMBL3663908,5.5
+CN1Cc2ccccc2C(c2ccc3sncc3c2)C1,CHEMBL3663920,7.98
+Cc1noc(C)c1C1CN(C)Cc2ccccc21,CHEMBL3663906,5.85
+COc1cccc2cc(C3CN(C)Cc4ccccc43)oc12,CHEMBL3663911,7.57
+CN1Cc2cc(-c3cncnc3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663913,7.03
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663912,8.66
+CCN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3663919,7.65
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3o2)C1,CHEMBL3663918,8.39
+CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3663917,8.66
+COc1c(C2CN(C)Cc3cc(-c4ccc(C)nn4)ccc32)ccc2sccc12,CHEMBL3663916,7.89
+COc1ccc(C2CN(C)Cc3ccccc32)cn1,CHEMBL3663910,6.33
+CN1Cc2ccccc2C(c2cccs2)C1,CHEMBL3663907,5.61
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.0
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,7.52
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,6.57
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,7.39
+C=CCN(CC=C)CCc1c[nH]c2ccccc12,CHEMBL3752576,6.82
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,6.44
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,6.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,7.44
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.9
+CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOc3ccc4ccccc4c3)cc21,CHEMBL3799072,5.903
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,5.51
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,8.165
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.41
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,7.6
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.74
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,6.95
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,6.79
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,5.37
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,5.81
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.05
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,5.61
diff --git a/chembl_200/CHEMBL229.csv b/chembl_200/CHEMBL229.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1f1fe18abb5ed4642275f08663bf899b85cb1cd2
--- /dev/null
+++ b/chembl_200/CHEMBL229.csv
@@ -0,0 +1,1129 @@
+COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12,CHEMBL139505,8.79
+COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1,CHEMBL2112774,6.7
+COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL2112779,8.3
+COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1,CHEMBL444590,9.48
+COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL2112778,7.48
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,7.84
+COc1cccc2c1CCCC2CCCNCCOc1ccccn1,CHEMBL344432,9.26
+c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101739,7.25
+Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1,CHEMBL101579,8.1
+CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O,CHEMBL419164,5.78
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21,CHEMBL322688,7.89
+COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL431631,8.19
+O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21,CHEMBL98167,6.1
+C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL100878,7.15
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL101869,7.28
+O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2,CHEMBL100052,7.51
+CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O,CHEMBL99614,7.7
+Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL98430,8.1
+O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21,CHEMBL98168,7.35
+C1COC(NC(C2CC2)C2CC2)=N1,CHEMBL289480,5.135
+Clc1cccc(Cl)c1NC1=NCCN1,CHEMBL134,6.15
+c1ccc2c(c1)CCCC2NC1=NCCO1,CHEMBL75030,6.795
+C1CCCC(NC2=NCCO2)CC1,CHEMBL305928,5.56
+c1ccc2c(c1)CCCC2NC1=NCCCO1,CHEMBL306377,5.685
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,6.5
+COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL137598,8.86
+COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC,CHEMBL136458,5.95
+COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL434228,8.09
+COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC,CHEMBL343283,7.72
+COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC,CHEMBL430717,7.99
+COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL424658,7.71
+COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC,CHEMBL335731,7.62
+COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL137903,8.8
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL96467,9.738
+O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL311247,9.55
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1,CHEMBL83272,10.08
+Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12,CHEMBL82056,6.83
+Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL83041,8.51
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL311890,9.92
+Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1,CHEMBL432947,8.92
+COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311014,6.3
+Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1,CHEMBL420578,7.7
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1,CHEMBL309949,7.05
+O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL83226,9.89
+COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311290,5.99
+O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL82877,9.8
+CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL309518,10.24
+CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O,CHEMBL81173,8.62
+Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL81006,10.0
+COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O,CHEMBL83340,10.19
+O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL83592,9.57
+CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL316495,8.42
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC(F)(F)F)N1,CHEMBL320736,7.94
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1,CHEMBL95736,8.42
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,8.32
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,8.727
+CCNC(=O)C1C(=COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95253,8.52
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)C(=COCCN)N1,CHEMBL432026,8.77
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2C(=COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL322405,8.5
+CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL95263,6.9
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL95548,8.86
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COC)N1,CHEMBL100045,7.71
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1,CHEMBL95434,8.36
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1,CHEMBL99864,8.29
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,5.63
+CCNC(=O)C1=C(CC)NC(=COCCN)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95290,8.35
+COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3C(=COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1,CHEMBL330401,8.2
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL98038,6.34
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL8412,7.06
+CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1,CHEMBL3349545,7.01
+CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1,CHEMBL1169493,8.52
+CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL418926,7.0
+CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL82267,9.29
+COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1,CHEMBL79532,7.36
+O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12,CHEMBL436760,4.9
+Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1,CHEMBL302637,5.67
+CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12,CHEMBL302882,6.85
+Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)c[nH]3)c[nH]c2c1,CHEMBL292801,6.11
+Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5ccccc45)n3)c[nH]c2c1,CHEMBL63208,6.26
+O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2cc(O)ccc12,CHEMBL303282,5.32
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,5.82
+NCC(O)c1cc(O)c(O)cc1F,CHEMBL281232,5.82
+CNCC(O)c1cc(O)c(O)cc1F,CHEMBL42359,6.15
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,5.7
+CNCC(O)c1ccc(O)c(O)c1F,CHEMBL43711,4.78
+Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71479,6.11
+O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21,CHEMBL70740,6.21
+CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1,CHEMBL74114,6.38
+CS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL544290,6.23
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,6.83
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,7.36
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,7.68
+CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1,CHEMBL74467,6.09
+CCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL70973,5.92
+CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70634,6.27
+CS(=O)(=O)Nc1ccc(F)c([C@@H](O)CN)c1,CHEMBL72958,5.95
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,7.24
+CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1,CHEMBL419448,6.26
+COc1ccc(SC)c(NCC2=NCCN2)c1,CHEMBL70691,6.76
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,7.73
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,6.23
+COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71001,5.79
+CCCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL554416,5.66
+CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL74071,5.57
+CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1,CHEMBL70563,6.34
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,7.68
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,7.48
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,7.36
+CS(=O)c1ccccc1NCC1=NCCN1,CHEMBL542402,5.89
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,7.8
+CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1,CHEMBL70326,6.18
+Cc1c(NC2=NCCN2)cccc1-c1ccccc1,CHEMBL92221,6.7
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,6.43
+Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1,CHEMBL69967,5.14
+Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1,CHEMBL70918,5.14
+CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12,CHEMBL300647,7.325
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,7.813
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,5.98
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,9.66
+COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,CHEMBL709,8.045
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19826,5.77
+COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19476,6.38
+COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19376,6.08
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,9.74
+O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1,CHEMBL90184,7.72
+CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O,CHEMBL91616,9.92
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL93693,7.96
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL90420,9.74
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1,CHEMBL91405,9.41
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C,CHEMBL90421,9.74
+COC=C1NC(=O)N[C@H](c2ccc(F)c(F)c2)C1C(=O)NCCCN1CCC(c2ccc(F)cc2)CC1,CHEMBL92951,9.62
+CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O,CHEMBL419497,8.64
+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359430,7.66
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145746,9.44
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145178,8.92
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145587,9.4
+COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145278,8.44
+COC=C1N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(c2ccc(F)c(F)c2)C1C(=O)OC,CHEMBL141604,9.4
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F,CHEMBL357842,9.3
+COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL142981,10.0
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145770,9.52
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL436407,9.3
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1,CHEMBL142606,8.96
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359421,9.4
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145001,9.0
+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL342347,7.7
+COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1,CHEMBL145353,8.38
+COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1,CHEMBL144731,8.17
+COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1,CHEMBL144534,9.4
+CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F,CHEMBL142719,7.85
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL358313,8.46
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145411,10.0
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL357828,9.22
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL357131,8.8
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC[N-][N+]#N)N1,CHEMBL98063,8.48
+COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1,CHEMBL418882,6.24
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1,CHEMBL69339,7.74
+COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,CHEMBL67932,6.89
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1,CHEMBL70178,7.4
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1,CHEMBL421297,8.74
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1,CHEMBL69848,9.7
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1,CHEMBL67713,9.3
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL420184,7.85
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1,CHEMBL66823,6.38
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1,CHEMBL303485,6.48
+COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1,CHEMBL302495,6.69
+COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1,CHEMBL68241,7.92
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL305029,9.52
+COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12501,7.01
+CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1,CHEMBL11828,7.55
+CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL418531,7.08
+CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL12529,7.7
+CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1,CHEMBL268030,7.28
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1,CHEMBL12603,7.7
+O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL12364,6.89
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12062,9.185
+CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1,CHEMBL12202,7.42
+CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1,CHEMBL12127,7.74
+CC(C)Oc1ccccc1N1CCN(CC(O)=CC(=O)CN2CCCCC2=O)CC1,CHEMBL274529,6.38
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL275469,8.045
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,7.492999999999999
+COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,CHEMBL320397,6.205
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1,CHEMBL303464,8.85
+Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL304132,9.8
+Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1,CHEMBL303248,9.05
+COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL302940,9.11
+CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL71473,8.1
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1,CHEMBL68601,9.02
+CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL419624,8.37
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1,CHEMBL308671,8.82
+COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL68203,9.64
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL67552,9.39
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL70892,9.7
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL302246,8.82
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL68604,9.06
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL303627,8.99
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1,CHEMBL68746,8.74
+COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL304591,9.96
+Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL69295,9.18
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1,CHEMBL69143,9.05
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL67648,9.1
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+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1,CHEMBL71580,9.12
+Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL431362,9.54
+COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC,CHEMBL70095,9.01
+COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL302942,8.68
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,9.48
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL69264,9.74
+COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL68045,7.66
+COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC,CHEMBL68913,8.91
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1,CHEMBL68699,8.52
+COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O,CHEMBL68565,8.83
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1,CHEMBL302092,8.92
+COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL69245,8.16
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,8.585
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL14199,8.07
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1,CHEMBL13754,8.58
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1,CHEMBL13735,9.46
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1,CHEMBL13903,9.06
+COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1,CHEMBL14213,8.51
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,8.38
+COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)C(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1,CHEMBL265001,9.44
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL355910,8.21
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL358406,8.22
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL346649,8.43
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1,CHEMBL356623,8.04
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL358253,8.21
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL356829,8.85
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151825,8.32
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151668,7.23
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL148552,8.38
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1,CHEMBL150743,5.36
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL356923,5.42
+COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL357061,8.27
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347499,8.72
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL149263,8.11
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1,CHEMBL150696,6.34
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347501,8.44
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1,CHEMBL359375,7.2
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146815,8.59
+CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347522,7.57
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL41844,8.447000000000001
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1,CHEMBL151045,8.11
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1,CHEMBL347559,8.54
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151878,8.66
+CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL357681,8.32
+CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146983,5.6
+CC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1,CHEMBL25537,7.0
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2,CHEMBL50490,8.04
+NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL50081,8.64
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1,CHEMBL299539,9.05
+COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL300272,7.21
+COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL51019,7.82
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL301077,8.96
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2,CHEMBL51871,9.22
+N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL298579,8.24
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1,CHEMBL299984,7.46
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1,CHEMBL310471,8.68
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1,CHEMBL440499,8.43
+CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1,CHEMBL76643,7.05
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1,CHEMBL421324,8.42
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1,CHEMBL75808,7.1
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1,CHEMBL76867,8.05
+CCc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL123448,7.24
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+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145894,10.22
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1,CHEMBL359012,9.7
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1,CHEMBL357628,9.15
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1,CHEMBL142929,10.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1,CHEMBL145571,8.1
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL144989,8.72
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342126,9.7
+COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1,CHEMBL239806,7.72
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342543,9.52
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL146654,10.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL142307,9.1
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142236,10.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1,CHEMBL142398,9.7
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145525,8.31
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145574,9.15
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145443,9.15
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1,CHEMBL341849,10.3
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142718,8.89
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145394,9.755
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1,CHEMBL141821,9.22
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1,CHEMBL145843,11.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145756,7.8
+COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL145072,10.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1,CHEMBL145547,10.7
+CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1,CHEMBL142251,10.0
+CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL445577,10.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL344525,9.52
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342731,9.7
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145338,9.7
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145122,6.37
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL358795,9.4
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL357439,7.85
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359433,7.92
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1,CHEMBL145190,10.05
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL357172,9.52
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL299914,8.77
+Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL301416,7.11
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1,CHEMBL62045,9.32
+Cc1ccc(C2(c3ccc(C)cc3)CC(=S)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1,CHEMBL60452,6.66
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1,CHEMBL59590,8.7
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL62249,8.01
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1,CHEMBL61643,8.24
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C#N)CC3)cccc2c1=O,CHEMBL125989,9.14
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C(N)=O)CC3)cccc2c1=O,CHEMBL125365,8.74
+CC1=[N+]([O-])ONC1=COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL338608,9.8
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL278865,9.157
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O,CHEMBL338029,10.03
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1,CHEMBL2111563,7.89
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL2114249,9.05
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1,CHEMBL2112365,7.52
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,8.415
+COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2,CHEMBL324090,10.4
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,9.415
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O,CHEMBL49851,8.23
+COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1,CHEMBL301078,8.96
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O,CHEMBL51074,8.71
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1,CHEMBL301726,8.32
+O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL135974,6.41
+O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL134428,7.11
+O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL132378,6.02
+O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL135973,7.44
+COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL286003,7.677
+c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL37883,7.43
+COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1,CHEMBL42472,10.3
+COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1,CHEMBL40325,8.63
+COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1,CHEMBL42558,9.4
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1,CHEMBL43905,10.05
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O,CHEMBL44403,9.6
+COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1,CHEMBL42231,9.29
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,5.95
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,5.55
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,5.29
+Cc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL49137,5.83
+Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12,CHEMBL74342,4.85
+Brc1c(NC2=NCCO2)ccc2nccnc12,CHEMBL73164,4.04
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,4.74
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,6.01
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.67
+CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL180932,9.295
+C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,CHEMBL24778,10.42
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,7.962999999999999
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)N1,CHEMBL25121,9.18
+COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C,CHEMBL25300,9.4
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL24777,8.93
+COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O,CHEMBL267336,9.7
+O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1,CHEMBL286591,7.8
+CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1,CHEMBL88272,9.21
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(CC)N1,CHEMBL276932,8.9
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1,CHEMBL27899,7.16
+COc1ccc(CCNCC2CCc3ccccc3C2)cc1,CHEMBL282214,8.38
+COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1,CHEMBL24981,8.65
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL143558,6.01
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL144286,7.02
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3,CHEMBL145785,6.54
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3,CHEMBL143026,7.07
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL145793,5.59
+COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3,CHEMBL423018,6.8
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL144779,5.77
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3,CHEMBL2112853,7.5
+N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1,CHEMBL140450,7.02
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL342062,7.91
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,7.23
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,7.69
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,8.75
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,9.28
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,8.15
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,8.06
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,8.83
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,8.74
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,7.44
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,7.25
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,7.79
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,6.5
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,8.73
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,8.95
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,9.64
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,7.27
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,8.05
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,8.86
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,8.06
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,8.97
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,8.93
+CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL57740,8.6
+Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL55290,9.5
+COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL418112,8.8
+C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O,CHEMBL56375,8.3
+Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL55695,9.8
+O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL299452,8.9
+CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL291951,8.2
+Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O,CHEMBL292403,8.7
+Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C,CHEMBL292189,10.4
+O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,CHEMBL301650,7.7
+O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,CHEMBL56863,10.2
+O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL59153,9.0
+Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL417758,8.4
+Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL293149,9.3
+Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O,CHEMBL55629,9.1
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL56331,9.6
+O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL55645,8.1
+CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL53675,9.1
+O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL298838,9.0
+O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL417954,9.6
+Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1,CHEMBL56489,8.8
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL27013,9.78
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC,CHEMBL341665,9.49
+COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL29591,9.38
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL43116,9.33
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,9.1
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42335,8.85
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,8.96
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42640,9.0
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL43651,7.89
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,8.72
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL41996,6.59
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,9.7
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL287791,9.15
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL43594,8.15
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL44042,8.49
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,9.4
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL288768,8.74
+CC1=C(C(=O)NCC(C)CN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42053,7.38
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,9.0
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL40464,8.52
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.6
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,6.66
+COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78785,8.59
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL80599,9.28
+CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1,CHEMBL78874,9.72
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL77618,9.36
+COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1,CHEMBL80132,7.73
+COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL420959,8.52
+COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL81486,9.0
+COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80730,9.74
+COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL311479,9.66
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1,CHEMBL420205,9.49
+COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78676,8.7
+COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78584,6.79
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL77901,8.64
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL79161,9.05
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1,CHEMBL310599,9.52
+COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80458,9.55
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80260,8.82
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80641,9.2
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56438,6.89
+CC(C)(C)c1ccc(C2=NCCN2)cc1,CHEMBL276868,7.04
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,CHEMBL312448,7.04
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1,CHEMBL299691,6.2
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,6.21
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL446180,5.42
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,5.39
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,6.0
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,5.36
+COc1ccccc1N1CCN(CCCNc2cc(=O)nc(Nc3c(Cl)cccc3Cl)[nH]2)CC1,CHEMBL179401,8.44
+O=C(NCCCCN1CCN(c2csc3cc(F)ccc23)CC1)c1cnccn1,CHEMBL369520,8.85
+Clc1ccc(C2(Cn3ccnc3)OCC(CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1,CHEMBL178921,6.52
+Nc1ccc(C(=O)NCCN2CCC(c3cccc4[nH]ccc34)CC2)cc1,CHEMBL179721,8.02
+N=C(CC(O)COc1ccccc1-c1ccccc1)N1CCCCC1,CHEMBL181583,5.6
+COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,CHEMBL179440,6.37
+CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2cnc[nH]2)c1,CHEMBL362863,6.31
+COc1cccc(OC)c1OCCNC[C@H]1CSc2ccccc2O1,CHEMBL181215,9.7
+COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1,CHEMBL72657,9.46
+COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1,CHEMBL182998,9.44
+N=C(Nc1ccccc1)N1CCN(/C=C2/N=C(c3cccc4ccccc34)OC2=O)CC1,CHEMBL181071,7.39
+CCOC(=O)C1CCC(=O)N1CC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL180312,7.23
+COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1,CHEMBL362051,9.0
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,8.39
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,8.1
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL301224,7.44
+COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,CHEMBL142635,8.297
+C[C@@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@@H]1O,CHEMBL360688,8.3
+Cn1c(NCCCN2CCN(c3ccc4c(c3)OCC(CO)O4)CC2)cc(=O)n(C)c1=O,CHEMBL181475,7.7
+COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178923,8.85
+COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178673,9.54
+COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL175934,9.09
+COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC,CHEMBL179743,8.9
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,7.7
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,7.57
+COc1cccc(N(N=C2NCCO2)c2ccc(C)cc2)c1,CHEMBL194323,8.28
+Cc1ccc(N(N=C2NCCO2)c2cccc(O)c2)cc1,CHEMBL370818,8.28
+COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1,CHEMBL200580,8.7
+COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1,CHEMBL427552,8.7
+COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC,CHEMBL198431,8.7
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1,CHEMBL196817,8.9
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1,CHEMBL197442,9.5
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-],CHEMBL200136,8.1
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1,CHEMBL200366,8.7
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1,CHEMBL199080,9.4
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C,CHEMBL382972,8.8
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1,CHEMBL200446,9.6
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1,CHEMBL198860,9.6
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl,CHEMBL200839,8.85
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.38
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,7.41
+O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCN2CCCC2)c1,CHEMBL209497,7.11
+COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215421,9.39
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218732,6.49
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL385371,7.18
+COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214506,6.63
+COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214762,7.06
+COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214552,7.79
+COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214694,8.25
+COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214952,8.03
+COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215151,8.92
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2,CHEMBL217143,7.94
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2,CHEMBL383938,8.55
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL215857,7.0
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218079,7.6
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL439346,8.34
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL217469,8.8
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1,CHEMBL436955,6.99
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1,CHEMBL215188,7.47
+COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214986,7.95
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL301707,9.56
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL222896,8.46
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL220221,8.83
+Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL220717,7.52
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1,CHEMBL220515,8.88
+Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C,CHEMBL219719,6.74
+O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL219718,5.37
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL223289,7.27
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL386005,8.08
+COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1,CHEMBL99142,8.52
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL220781,8.48
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,6.9
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL228333,7.85
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390129,8.7
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390473,7.37
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228659,8.48
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228658,7.64
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228608,7.8
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL228607,7.51
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL387833,7.92
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL228606,7.16
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL538397,8.015
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL228554,7.42
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL387832,8.27
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228553,7.92
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228496,8.15
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228494,8.32
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228445,8.23
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL390192,8.0
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL442059,8.21
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL228390,8.66
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL439197,8.4
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228389,7.68
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228334,8.74
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL389104,7.8
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228332,8.42
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228280,8.74
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL228279,8.35
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL388897,8.89
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL228278,7.96
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL229085,9.04
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL229084,8.85
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL390184,8.52
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL388361,7.55
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1,CHEMBL243229,9.4
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1,CHEMBL243228,9.1
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1,CHEMBL243864,8.74
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1,CHEMBL243692,8.57
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1,CHEMBL243690,7.42
+COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242934,8.38
+COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242725,7.31
+COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL389978,7.98
+COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242724,8.37
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242723,7.59
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1,CHEMBL242508,7.56
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242507,7.63
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL388884,8.46
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL233790,8.46
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL232609,7.84
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL391017,7.87
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL232607,8.31
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL391016,8.24
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL234854,8.3
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234650,8.41
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234649,8.92
+O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL234476,7.44
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1,CHEMBL234474,7.72
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC,CHEMBL233584,6.72
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,CHEMBL394139,7.35
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233582,8.52
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233410,7.96
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL393105,9.25
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL233407,7.92
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL393104,8.8
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL391035,8.35
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234609,8.82
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234423,7.96
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234422,9.0
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429623,8.37
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234232,7.6
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234231,7.44
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429076,8.0
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233849,8.8
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234607,8.42
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL392066,7.96
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233814,8.22
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233623,9.05
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL393725,7.74
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL234194,7.77
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL236832,8.06
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL236621,7.64
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL392377,7.0
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL236830,7.77
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236618,8.12
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236617,8.32
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL428197,8.89
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL234874,8.25
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233416,7.7
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233592,7.85
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232780,9.14
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232779,8.46
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232593,9.0
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232592,8.2
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL234681,9.06
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL399195,8.25
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234680,9.11
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234679,8.02
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL234669,8.57
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL391107,7.86
+COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1,CHEMBL185271,7.4
+Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1,CHEMBL242004,6.74
+Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C,CHEMBL242003,6.0
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1,CHEMBL245231,6.7
+CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1,CHEMBL389129,4.47
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1,CHEMBL363548,6.82
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL238402,7.27
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL438673,8.92
+CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL238401,7.64
+CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL429453,7.82
+COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL271913,7.235
+COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1,CHEMBL256853,7.045
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,7.15
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,7.7
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,7.38
+COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1,CHEMBL481322,7.08
+Fc1ccn(Cc2c(F)ccc3c2CC[C@H]3c2ncc[nH]2)n1,CHEMBL474796,8.3
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,10.7
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.0
+c1ccc(OCCNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1,CHEMBL521694,6.27
+COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493697,6.625
+COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493486,7.67
+c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL493285,6.83
+COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493284,7.05
+COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493283,7.13
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL495289,6.65
+COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL493043,6.33
+COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL452437,6.7
+COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL493041,7.06
+c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1,CHEMBL492785,6.39
+COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL493661,6.29
+COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1,CHEMBL521665,6.36
+COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL494908,6.8
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.47
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.84
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL564481,8.55
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL558890,8.47
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL549764,7.09
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC,CHEMBL561851,8.73
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,7.22
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,8.15
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,7.72
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,8.85
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,8.7
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.7
+Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1084658,6.93
+COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1088072,7.31
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1077168,7.04
+COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1087942,7.0
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC,CHEMBL1079066,7.07
+COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1078954,6.52
+CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078953,8.18
+CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078773,8.68
+c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1078772,6.31
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL1083182,7.68
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1,CHEMBL1086156,7.45
+COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1,CHEMBL1209158,7.12
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,8.4
+COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223615,7.64
+Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl,CHEMBL1223616,7.48
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1,CHEMBL1223617,6.23
+Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223680,7.77
+Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223681,7.85
+Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C,CHEMBL1223682,7.4
+COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1,CHEMBL271989,8.22
+Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl,CHEMBL1223683,7.34
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,CHEMBL1223747,7.92
+COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1,CHEMBL1223748,8.22
+Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl,CHEMBL1223749,7.22
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1,CHEMBL1223750,7.17
+Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1,CHEMBL1223799,8.0
+Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl,CHEMBL1223800,7.68
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1,CHEMBL1223801,6.64
+Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1,CHEMBL1223802,8.05
+Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl,CHEMBL1223856,7.24
+FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1,CHEMBL1223857,6.92
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,CHEMBL1223858,6.57
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1,CHEMBL1223859,7.14
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,8.56
+COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1242352,9.58
+COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242444,8.86
+COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242445,7.9
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242541,9.06
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242542,7.94
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242632,9.2
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242633,7.57
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242724,8.54
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242725,7.39
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242818,8.18
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242819,7.67
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1242912,8.69
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1241557,8.0
+COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,CHEMBL31354,7.715
+Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O,CHEMBL1241328,6.05
+O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1,CHEMBL1242923,6.59
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,7.74
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,7.96
+COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254582,8.5
+COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254659,8.01
+COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254660,7.7
+CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254742,8.5
+COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254743,8.95
+COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254828,8.6
+COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254829,8.6
+CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254914,8.7
+COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254915,8.5
+Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255002,8.2
+Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255003,8.1
+Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255085,8.3
+c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1,CHEMBL1255086,8.0
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.28
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,7.06
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccn1,CHEMBL1289503,5.7
+O=C1O[C@]2(CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289820,5.7
+Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5ccc(OC(F)(F)F)cc5[nH]4)CC3)OC2=O)n1,CHEMBL1289609,5.8
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289267,5.9
+O=C1O[C@]2(CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccn1,CHEMBL1289936,5.9
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1F,CHEMBL1289268,6.1
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccc(F)cc1,CHEMBL1289386,6.1
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1cccc(F)n1,CHEMBL1289714,6.3
+O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289154,6.7
+O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1290706,7.0
+O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1290707,7.0
+O=C1OC2(CCN(c3nc4ccc(F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289039,7.0
+O=C1OC2(CCN(c3nc4ccc(Br)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289038,7.4
+COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O,CHEMBL1630942,7.94
+COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O,CHEMBL1630941,7.72
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O,CHEMBL1630940,9.22
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O,CHEMBL1630939,9.46
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O,CHEMBL1630938,9.47
+COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767147,5.8
+CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767163,5.8
+CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767139,6.1
+Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767148,6.3
+CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12,CHEMBL1767153,6.3
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O,CHEMBL1767146,6.4
+CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767135,6.5
+CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767157,6.5
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767162,6.5
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O,CHEMBL1767138,6.6
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O,CHEMBL1767149,6.7
+CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O,CHEMBL1767152,6.7
+CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767134,6.8
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767161,6.8
+CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767158,6.8
+COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767137,6.9
+O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767166,7.0
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767160,6.9
+CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767155,7.0
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767159,7.0
+COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1,CHEMBL1767165,7.2
+CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL639,7.3
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O,CHEMBL1767140,7.2
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O,CHEMBL1767145,7.3
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767164,7.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1765111,7.5
+CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767154,7.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767168,7.5
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767136,7.55
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767167,7.6
+CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL1767156,7.8
+Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767141,8.0
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,6.75
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,7.11
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796028,5.46
+O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796029,5.49
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796030,7.33
+O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796031,7.32
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796032,6.72
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796033,8.67
+O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796034,7.8
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796035,7.44
+COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796036,7.66
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796037,5.77
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796038,5.16
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796039,7.55
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796040,7.31
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796041,7.17
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796042,7.85
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796043,7.68
+COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796044,7.99
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796045,7.46
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796046,7.575
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796047,7.02
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796048,5.47
+COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796049,7.2
+COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796050,8.005
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,5.01
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,7.8
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,7.13
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.44
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1,CHEMBL1910243,7.88
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1,CHEMBL1775000,6.82
+COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946777,9.58
+c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1946778,7.27
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1,CHEMBL1946779,7.57
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946780,9.19
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1,CHEMBL1946783,7.4
+COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O,CHEMBL1946786,6.96
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1,CHEMBL1946787,7.41
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1,CHEMBL1946788,7.35
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O,CHEMBL2146804,7.7
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146805,7.9
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146806,8.2
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146801,7.9
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146484,6.2
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146807,7.0
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146808,6.5
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146809,6.7
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146810,7.3
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146811,6.8
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O,CHEMBL2146812,6.4
+O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL2146813,7.5
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146802,7.8
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146803,7.7
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1,CHEMBL2153551,8.66
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1,CHEMBL2153552,7.18
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1,CHEMBL2153553,9.04
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1,CHEMBL2153554,7.78
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1,CHEMBL2153555,9.05
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1,CHEMBL2153556,8.25
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1,CHEMBL2153557,9.19
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1,CHEMBL2153558,7.74
+COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1,CHEMBL2153559,7.62
+COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1,CHEMBL2153560,6.09
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,7.41
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,6.23
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.33
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCOc1c(OC)cccc1OC)C3,CHEMBL2234451,5.77
+COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccoc1)C3,CHEMBL2234450,6.8
+COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1,CHEMBL2234448,7.04
+COc1ccccc1N1CCN(CC2CO[C@H](c3ccccc3)O2)CC1,CHEMBL2234447,7.54
+COc1ccccc1N1CCN(CC2CO[C@H](c3cccc4ccccc34)O2)CC1,CHEMBL2234446,8.1
+COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1,CHEMBL2234445,7.44
+O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56620,7.26
+COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1,CHEMBL57540,7.63
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL299454,7.15
+O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2,CHEMBL299253,7.365
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1,CHEMBL298595,6.63
+CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL300152,6.825
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL59262,8.84
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1,CHEMBL293539,7.06
+N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL57868,6.395
+Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL431354,7.02
+Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL59149,7.0
+N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL299022,6.77
+CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL60583,8.55
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1,CHEMBL293968,5.57
+COc1cccc(OC)c1OCCNC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1,CHEMBL2234444,8.06
+COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1,CHEMBL2234443,10.075
+COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1,CHEMBL2234442,8.63
+COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1,CHEMBL2234441,10.3
+C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1178679,7.54
+COc1cccc(OC)c1OCCNC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2234440,6.47
+c1ccc(OCCNC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2234439,6.77
+COc1ccccc1OCCNC1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL2234456,7.13
+c1ccc(OCCNC2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL2234455,6.65
+COc1cccc(OC)c1OCCN[C@H]1COC[C@H](c2ccccc2)O1,CHEMBL2234454,6.33
+c1ccc(OCCN[C@H]2COC[C@H](c3ccccc3)O2)cc1,CHEMBL2234453,6.39
+COc1cccc(OC)c1OCCN[C@H]1CO[C@H](c2ccccc2)CO1,CHEMBL2234452,6.29
+c1ccc(OCCN[C@H]2CO[C@H](c3ccccc3)CO2)cc1,CHEMBL2234457,6.27
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261608,7.59
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1,CHEMBL2261607,7.56
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261606,7.63
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261605,8.46
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261604,7.91
+COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312227,7.56
+c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312537,6.77
+COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312536,6.59
+COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312225,6.47
+c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312538,6.36
+O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL241115,6.48
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,8.17
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.67
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2,CHEMBL3217244,7.5
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2,CHEMBL3216590,8.42
+COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419766,6.36
+COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419765,6.75
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2,CHEMBL2419771,8.7
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2,CHEMBL2419772,7.77
+COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419770,8.04
+COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419769,9.31
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,7.1
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.64
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.22
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.54
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.625
+N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O,CHEMBL2307889,6.44
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,6.3
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,7.14
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12,CHEMBL3233411,6.5
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,6.58
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,9.1
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.59
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298745,8.96
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298746,8.83
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298747,8.15
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298748,8.28
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298749,8.96
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298750,9.49
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3297829,9.03
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298017,8.79
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298018,8.16
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1,CHEMBL3298019,8.77
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298020,8.41
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298021,8.47
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298022,8.45
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298023,9.04
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298024,9.0
+c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL3343975,7.585
+Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343976,6.87
+Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343977,6.92
+COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343978,7.16
+Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12,CHEMBL3343979,8.14
+COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL532818,6.71
+c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL533979,6.9
+Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343980,6.21
+COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1,CHEMBL3343981,6.5
+Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343982,6.95
+COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343983,6.59
+COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL3343984,7.13
+COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1,CHEMBL3342852,8.07
+COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1,CHEMBL3341769,7.77
+COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1,CHEMBL3342853,8.17
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1,CHEMBL3342855,8.01
+COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1,CHEMBL3342856,7.31
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1,CHEMBL3342857,8.19
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1,CHEMBL3342858,7.75
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342859,7.97
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342860,7.99
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1,CHEMBL3342861,7.67
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1,CHEMBL3342862,7.51
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1,CHEMBL3342863,7.93
+COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1,CHEMBL3342864,7.22
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342866,8.1
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1,CHEMBL3342867,8.34
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1,CHEMBL3342868,8.19
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342869,8.05
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1,CHEMBL3342870,8.28
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1,CHEMBL3342871,8.52
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1,CHEMBL3342872,8.1
+COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1,CHEMBL3342873,7.73
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1,CHEMBL3342874,7.92
+CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2,CHEMBL3342875,7.7
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1,CHEMBL3342876,7.9
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,7.77
+CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582272,7.52
+COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC,CHEMBL3582271,8.33
+CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582270,9.52
+COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC,CHEMBL3582269,8.89
+COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC,CHEMBL3582268,8.68
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,8.22
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,7.96
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.48
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739897,7.52
+c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739932,6.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,6.2
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,5.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,6.28
+C=CCN(CC=C)CCc1c[nH]c2ccccc12,CHEMBL3752576,5.78
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,8.04
+Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL3758881,7.52
+O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1,CHEMBL3758330,7.33
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1,CHEMBL3759607,7.41
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,CHEMBL218203,7.52
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL3759513,7.3
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL3758920,6.78
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL154508,6.98
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C,CHEMBL3758741,6.64
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1,CHEMBL3758711,6.55
+O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)c1ccc2ccccc2c1,CHEMBL3759491,5.82
+O=C(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3759865,7.72
+O=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1,CHEMBL3759441,6.68
+O=C(NCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1)c1ccc2ccccc2c1,CHEMBL3760110,6.8
+CS(=O)(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3758610,6.8
+CCOC(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL3758665,5.99
+COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1,CHEMBL3758991,8.3
+COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1,CHEMBL3759312,6.94
+COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1,CHEMBL3760063,7.09
+COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1,CHEMBL26962,6.02
+COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1,CHEMBL3758913,7.18
+COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1,CHEMBL3758403,6.38
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1,CHEMBL3758368,7.99
diff --git a/chembl_200/CHEMBL2292.csv b/chembl_200/CHEMBL2292.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c4e4465fd782129ba1c30bd3c87683ad66afc13e
--- /dev/null
+++ b/chembl_200/CHEMBL2292.csv
@@ -0,0 +1,512 @@
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,5.485
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.7
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,7.48
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.0
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.3
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.9
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.5
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,5.9
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,5.8
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.5
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.7
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,7.5
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,7.0
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,8.1
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,6.1
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,7.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.0
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.5
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.8
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.7
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.0
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,7.2
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.5
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,7.2
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,7.6
+O=C1NCc2c1cccc2-c1cccs1,CHEMBL1991782,4.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.7
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.9
+Clc1cc2n[nH]nc2cc1Cl,CHEMBL1996923,5.4
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.6
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.0
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.2
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.3
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,5.2
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,6.7
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.8
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,7.5
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,6.2
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,6.5
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,6.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.4
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,6.3
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.1
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,5.2
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,8.1
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,6.9
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.0
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.9
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,7.4
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.9
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.5
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.8
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.7
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.7
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.3
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,6.1
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.7
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,5.6
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,7.4
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.4
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.9
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,5.7
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,8.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.3
+O=c1[nH]ccc2cnc(-c3ccccc3)n12,CHEMBL1975911,4.2
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.5
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.1
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,5.4
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.6
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL1992645,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.3
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,6.2
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,6.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,9.1
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.7
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.6
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.3
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,6.4
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,7.1
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.7
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.7
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,6.0
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,6.7
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,6.1
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.8
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.7
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.9
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.7
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,7.0
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.9
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,7.1
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.7
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,7.6
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,6.0
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,6.5
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,7.6
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.5
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,6.9
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.6
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,6.0
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.8
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.0
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,5.8
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.2
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,6.1
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,6.0
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,5.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.5
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.8
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,6.6
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,5.4
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.7
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.9
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,8.5
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC,CHEMBL1991434,5.6
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.9
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.4
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.4
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.0
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.7
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,6.8
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.5
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.4
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,7.0
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.6
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.3
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.2
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,5.1
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.3
+Cn1ccc2c(-c3ccccc3F)nc(N(C(N)=O)c3c(F)cccc3F)nc21,CHEMBL1981723,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.4
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,8.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.5
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,5.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,5.9
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,5.5
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.1
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,5.8
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.7
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,6.2
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.3
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.3
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,5.4
+Nc1nnc2sc3ccccc3n12,CHEMBL2001704,4.4
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,6.8
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.4
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.1
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.6
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,7.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,7.5
+CN(C)c1ccc(N)c2ccccc12,CHEMBL1998253,5.8
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.5
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.1
+N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1,CHEMBL1999718,5.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,7.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.5
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.8
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,7.1
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.8
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,8.1
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,5.9
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.7
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,5.8
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.6
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.6
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,8.3
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.8
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.5
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.7
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,6.1
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,6.3
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,5.7
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,6.7
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.4
+O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,5.6
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.2
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,4.2
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,6.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,8.6
+O=c1sn(-c2ccc3c(c2)OCO3)c(=O)n1Cc1ccccc1,CHEMBL1984632,5.9
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.4
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.4
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,7.1
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,5.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.6
+COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL2004072,6.1
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.4
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.5
+CCNNc1cc(C)c(C#N)c2nc3ccccc3n12,CHEMBL2000433,5.3
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,6.4
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.5
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.1
+CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,CHEMBL1173055,6.3
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.0
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.1
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.0
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.4
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,6.0
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.6
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,7.5
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.5
+O=c1oc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL1968646,5.8
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.9
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.6
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,7.3
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,CHEMBL1419458,5.2
+Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL2006785,6.1
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,7.5
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.2
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,8.3
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.2
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.3
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.3
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.4
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,5.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,7.7
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.2
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.2
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.4
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,6.4
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,8.2
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.6
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1987648,5.5
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,4.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,7.5
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,8.4
+O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3,CHEMBL1970806,5.2
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.9
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,7.6
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,7.4
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,6.1
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.4
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,8.6
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,6.2
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.5
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.9
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.4
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,6.6
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.2
+NC(=O)c1csc2c1NCCC2=O,CHEMBL1973399,4.5
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,6.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.0
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.6
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.3
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,7.4
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,9.4
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,8.5
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,7.2
+COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N,CHEMBL1999778,5.3
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.7
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.8
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1,CHEMBL1993413,6.6
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.4
+O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,5.2
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.7
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.8
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.8
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.4
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.2
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,6.4
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.2
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,8.0
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.8
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,5.8
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,5.2
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC,CHEMBL1996604,5.2
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,5.2
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,7.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,8.2
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.5
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.6
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,7.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.4
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.4
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.3
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.9
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.2
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,7.5
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,6.1
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,4.7
+Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1968103,5.5
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,5.7
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.9
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.6
+NCCOc1cccc(Nc2ccnc(N)n2)c1,CHEMBL1995448,5.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.5
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCCC1,CHEMBL2006481,5.2
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.6
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.8
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.8
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.7
+Cc1cc2c(c(C#N)c1C)OC1(CCCCC1)C(N)C2=O,CHEMBL1994581,5.8
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.5
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.3
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.9
+CN(C)c1c(NC(=O)Cc2ccccc2)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1971485,6.4
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,7.6
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,6.1
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,6.5
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.0
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,5.2
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.3
+Nc1ncnc2nc3ccccc3n12,CHEMBL1983884,4.4
+O=C(Nc1ccc(CO)cc1)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL1974363,5.9
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,6.5
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.4
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.7
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.8
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.4
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.7
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,8.4
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.9
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,7.1
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.7
+Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21,CHEMBL207400,5.3
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,5.8
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.9
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,6.1
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,7.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,7.4
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.5
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.6
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.8
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.1
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,7.0
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,5.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.6
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.8
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.6
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.4
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.8
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,7.0
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.6
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.5
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.8
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,5.2
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,6.8
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.6
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.8
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.9
+CCn1c(=C(C#N)C(=O)O)sc(=CNc2ccccc2)c1=O,CHEMBL1986996,5.8
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,7.7
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.0
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.7
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.8
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.2
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.7
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.2
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.1
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,6.9
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,6.4
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.2
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,8.3
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,7.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,7.7
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,6.3
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.8
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,6.6
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,6.7
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.2
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccsc2)n1,CHEMBL2006567,5.7
+CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL86066,5.5
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.2
+O=c1[nH]c2ccc(Br)cc2n1-c1cc(Cl)c(O)cc1O,CHEMBL1996473,5.3
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.6
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.9
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,6.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.2
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,7.9
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.4
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,6.6
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,5.4
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.0
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,7.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,8.2
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.2
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.7
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,6.0
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.6
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.4
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.6
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.1
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,7.3
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,6.0
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.2
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,7.7
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,7.0
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.3
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.5
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,7.5
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.6
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.1
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,5.2
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.6
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,5.3
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.7
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,6.0
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,7.3
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.5
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.7
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,6.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,9.1
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.9
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.7
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,7.4
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.3
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.2
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.7
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,7.5
+CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Cl)cc1,CHEMBL2004601,5.6
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,6.5
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,6.6
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.6
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.0
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,7.8
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.6
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.6
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.6
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,5.3
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.3
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.5
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.4
+Nc1ncnc2sccc12,CHEMBL1972934,5.4
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,6.9
+COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1,CHEMBL1972937,5.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.4
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.8
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,5.7
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.1
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,6.2
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.7
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.5
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.3
+O=C(O)c1cnc2sccn2c1=O,CHEMBL1971679,4.2
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,8.0
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.8
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,6.2
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,6.4
+CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,CHEMBL52387,5.8
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.7
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.7
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,6.5
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,7.5
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.3
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,9.0
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.4
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,8.2
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.4
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,5.8
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.2
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.4
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,6.1
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,7.2
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,8.4
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,7.3
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.4
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,6.6
+O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1,CHEMBL1972489,5.3
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.5
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.4
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.8
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,7.1
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,5.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,7.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.6
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,7.2
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.8
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,6.0
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,6.8
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.4
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,5.8
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.2
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.3
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,6.2
diff --git a/chembl_200/CHEMBL231.csv b/chembl_200/CHEMBL231.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0e6a61ddb6c127a886ece96146be7a77badfd5a9
--- /dev/null
+++ b/chembl_200/CHEMBL231.csv
@@ -0,0 +1,983 @@
+CN(C)CC1C[C@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL96732,7.57
+CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL327651,8.43
+O=C(c1ccc(F)cc1)C1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL328662,8.72
+CNCC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329685,8.03
+CN1CCN(CC2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1,CHEMBL316068,8.92
+CN(C)CC1C[C@@H]2c3ccccc3Sc3ccccc3[C@H]2O1,CHEMBL327306,8.37
+CN(C)CC1C[C@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL330713,7.49
+c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1,CHEMBL314968,7.33
+OCCN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL92337,8.43
+CNC[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3[C@@H]2O1,CHEMBL2112371,8.46
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1,CHEMBL328573,9.19
+CN(C)CC1C[C@@H]2c3ccccc3Oc3ccccc3[C@H]2O1,CHEMBL96158,7.85
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,9.32
+Clc1cccc(N2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1,CHEMBL92333,6.33
+CN(C)CC1C[C@@H]2c3ccccc3N(C)c3ccccc3[C@H]2O1,CHEMBL328356,8.22
+CN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,CHEMBL318659,8.52
+CN(C)CC1C[C@@H]2c3ccccc3OCc3ccccc3[C@H]2O1,CHEMBL93321,8.02
+CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329268,9.2
+CN(C)CC1C[C@@H]2c3ccccc3COc3ccccc3[C@H]2O1,CHEMBL328209,7.69
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+c1ccc2c(c1)Cc1ccccc1[C@H]1CC(CN3CCOCC3)O[C@H]21,CHEMBL96429,8.63
+CN(C)CC1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL92667,9.15
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL96467,7.27
+C[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL158595,6.05
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+Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL107293,5.26
+CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1,CHEMBL102840,4.85
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1,CHEMBL104808,5.04
+CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL105071,5.64
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+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1,CHEMBL430502,4.89
+Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL103027,5.18
+CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1,CHEMBL319231,4.025
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL320174,4.22
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+N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL101748,5.05
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+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1,CHEMBL104344,5.6
+Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL322678,4.04
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL102390,4.1
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+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1,CHEMBL321709,5.82
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+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1,CHEMBL101691,5.04
+N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,CHEMBL420108,5.21
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1,CHEMBL322695,5.0
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+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL316968,4.12
+N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL2112451,4.7
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1,CHEMBL104809,5.23
+Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,CHEMBL102929,4.8
+COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL107162,5.36
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+CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL303824,6.0
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+NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)O1,CHEMBL74779,6.18
+NC(=O)N(O)CCC#Cc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1,CHEMBL73706,6.26
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+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1,CHEMBL105483,6.45
+N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1,CHEMBL106596,5.11
+N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL106483,5.49
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+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1,CHEMBL105669,7.56
+CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1,CHEMBL104947,5.83
+N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1,CHEMBL421026,5.54
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+CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL322873,6.56
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+N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1,CHEMBL105967,5.41
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+N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1,CHEMBL105594,5.05
+N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1,CHEMBL102416,6.24
+C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL2112461,5.41
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1,CHEMBL101692,6.3
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1,CHEMBL106602,6.35
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL319000,5.72
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL105762,6.25
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+O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1,CHEMBL60435,4.02
+N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL305371,5.01
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+N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL303737,4.84
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+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1,CHEMBL62660,4.33
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+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1,CHEMBL303369,4.78
+N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64059,5.0
+N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL61792,4.02
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+CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL418666,5.33
+C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64608,5.82
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+N[C@@H](C(=O)O)C1Cc2ccccc2C1,CHEMBL434785,4.97
+CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL291821,4.33
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+C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62804,4.27
+CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62050,4.87
+O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1,CHEMBL423666,4.66
+N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL417215,5.03
+C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL61288,5.76
+N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60189,4.92
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1,CHEMBL64321,5.48
+CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL59931,4.99
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+N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64124,4.34
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+C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL302196,4.16
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+N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60559,5.01
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+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1,CHEMBL65518,5.38
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1,CHEMBL64100,6.45
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1,CHEMBL64021,6.42
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1,CHEMBL63631,4.95
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1,CHEMBL64479,6.06
+CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1,CHEMBL64334,6.18
+CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1,CHEMBL60360,7.22
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,CHEMBL440864,6.68
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL294519,6.54
+CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1,CHEMBL64253,5.65
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1,CHEMBL294502,5.72
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1,CHEMBL62066,5.78
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL431172,4.58
+CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL304714,6.13
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1,CHEMBL291882,7.1
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1,CHEMBL63632,4.87
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1,CHEMBL61070,6.22
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,CHEMBL64247,6.25
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1,CHEMBL60620,5.8
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1,CHEMBL60383,7.01
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1,CHEMBL64408,5.97
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1,CHEMBL291394,6.32
+C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL264761,6.01
+CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1,CHEMBL59798,6.34
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1,CHEMBL64775,6.56
+CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1,CHEMBL432144,5.47
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1,CHEMBL60509,5.37
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1,CHEMBL292275,6.21
+CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1,CHEMBL302445,5.22
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1,CHEMBL64667,5.98
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1,CHEMBL62312,6.4
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1,CHEMBL64773,5.92
+CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1,CHEMBL62840,5.65
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1,CHEMBL418691,6.09
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1,CHEMBL64317,6.24
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1,CHEMBL61396,6.98
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1,CHEMBL305313,6.45
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1,CHEMBL63036,6.38
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1,CHEMBL302886,5.75
+CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL62949,6.3
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1,CHEMBL305338,7.25
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1,CHEMBL64235,5.96
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1,CHEMBL304027,5.99
+CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL449040,6.25
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62948,5.85
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1,CHEMBL62726,7.13
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1,CHEMBL62115,5.69
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1,CHEMBL444307,6.37
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1,CHEMBL64884,7.25
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1,CHEMBL2113738,6.35
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1,CHEMBL294349,4.67
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1,CHEMBL418658,6.14
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1,CHEMBL62527,5.4
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnc[nH]3)CC2)cc1,CHEMBL59715,6.28
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1,CHEMBL64259,6.51
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,6.3
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,5.85
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,5.81
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,5.6
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,8.663
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL318801,5.25
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1,CHEMBL104669,5.35
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1,CHEMBL105268,6.42
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1,CHEMBL105385,6.45
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1,CHEMBL105267,4.86
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1,CHEMBL105952,6.79
+N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1,CHEMBL102452,5.45
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1,CHEMBL318320,7.09
+N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,CHEMBL25688,5.3
+Cn1ccc2c1CCn1ccnc1C2=C1CCNCC1,CHEMBL360953,7.66
+Cn1ccc2c1C(=O)Cn1ccnc1C2=C1CCNCC1,CHEMBL444353,7.92
+O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL1201190,7.3
+NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1,CHEMBL539843,7.72
+COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL366925,8.3
+CC(C)COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL181085,8.12
+O=C(OCc1ccccc1)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL360666,7.75
+CCOC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL179590,8.23
+CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL180233,8.02
+NC(=O)N(O)CCC#Cc1ccc(OCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,CHEMBL185905,7.72
+NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,CHEMBL188021,7.85
+NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,CHEMBL360202,7.3
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,8.975
+NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,CHEMBL425358,6.52
+NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,CHEMBL187264,8.05
+NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,CHEMBL186125,7.52
+NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL187637,6.53
+NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL185825,6.96
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,8.85
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,8.8
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,7.48
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,8.12
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.85
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.37
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,7.38
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,8.92
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,9.25
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,6.95
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,6.34
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,9.37
+CN(C)C/C=C1\c2ccccc2COc2ccc(CC(=O)O)cc21,CHEMBL302005,7.96
+O=C(O)Cc1ccc2c(c1)/C(=C\CN1CCC(Cc3ccccc3)CC1)c1ccccc1CO2,CHEMBL372588,7.7
+CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1,CHEMBL292195,8.15
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,6.82
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.08
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,5.06
+CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1,CHEMBL213912,8.1
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,7.13
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC,CHEMBL236587,6.2
+CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl,CHEMBL241329,6.57
+O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL559206,5.9
+O=C(c1ccc(F)cc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1,CHEMBL537219,5.6
+O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1,CHEMBL240352,5.7
+N#Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,CHEMBL534958,5.7
+O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL534512,5.7
+Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,CHEMBL536991,5.7
+CC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270177,5.96
+CC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL273170,8.1
+CC1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL429136,7.74
+C[C@@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256694,8.59
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)OCC(=O)N6)n3C)cccc2n1,CHEMBL271066,6.8
+CC(=O)N1CCOc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL272702,6.0
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)N(C)C(=O)CO4)n1C,CHEMBL257534,5.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)N(C)C(=O)CO6)n3C)cccc2n1,CHEMBL256652,6.6
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)OCC(=O)N4)n1C,CHEMBL257536,5.7
+Cc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3,CHEMBL401576,6.2
+CCc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL403181,6.9
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6onc(C)c6cc5CC4)n3C)cccc2n1,CHEMBL257946,7.0
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6ncoc6cc5CC4)n3C)cccc2n1,CHEMBL271844,5.6
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL255827,5.6
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL273165,6.0
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL271097,5.6
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL257369,5.9
+CCc1nc2cc3c(c(Br)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256482,5.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL402087,5.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL255566,6.0
+Cc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL256471,5.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)sc6cc5CC4)n3C)cccc2n1,CHEMBL271632,6.0
+CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256477,6.2
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)C(=O)N(C)C6)n3C)cccc2n1,CHEMBL272480,5.5
+Cc1cc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2cn1,CHEMBL273199,6.1
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL85606,6.2
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(-c7cc(C)nn7C)nc6c5CC4)n3C)cccc2n1,CHEMBL402853,6.0
+Cc1nc(C)c(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1,CHEMBL270376,6.0
+Cn1c(SCCCN2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)nnc1-c1ccccc1,CHEMBL270387,5.9
+Cc1ccc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,CHEMBL404404,5.7
+Cc1cnc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,CHEMBL270602,5.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)C(F)(F)F)nc6c5CC4)n3C)cccc2n1,CHEMBL271034,5.7
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(C)(F)F)nc4c3CC2)n1C,CHEMBL437792,5.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)F)nc6c5CC4)n3C)cccc2n1,CHEMBL272150,6.3
+CCc1nc2c3c(ccc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL442456,6.3
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,CHEMBL244946,6.1
+Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6cc(C(F)(F)F)ccn6c5CC4)n3C)cccc2n1,CHEMBL411293,6.1
+Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6ccccn6c5CC4)n3C)cccc2n1,CHEMBL406678,5.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6ccc(Cl)cn6c5CC4)n3C)cccc2n1,CHEMBL257716,6.0
+CCc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256442,6.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C)sc6c5CC4)n3C)cccc2n1,CHEMBL271909,6.6
+Cc1cnc(-c2nnc(SCCCN3CCc4ccc5c(C)noc5c4CC3)n2C)cn1,CHEMBL271702,5.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(C)(F)F)oc6c5CC4)n3C)cccc2n1,CHEMBL256488,5.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(F)(F)F)oc6c5CC4)n3C)cccc2n1,CHEMBL404363,5.4
+CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1,CHEMBL261551,6.13
+COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL408868,7.59
+COc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL259765,8.0
+c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,CHEMBL258930,8.0
+Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1F,CHEMBL264418,8.0
+Cc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL404956,8.0
+Fc1ccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c(Cl)c1,CHEMBL260823,8.0
+Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,CHEMBL855,8.8
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,5.99
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.72
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,6.04
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,6.01
+O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL478617,6.2
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476935,6.8
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240,5.45
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.38
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,9.105
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL457957,6.25
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL460402,6.16
+CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459350,7.1
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,8.885
+CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517244,7.4
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,8.54
+CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459373,6.69
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,8.43
+CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517407,6.53
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,CHEMBL464811,6.72
+O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL455288,6.41
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,6.72
+CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1,CHEMBL454890,7.01
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.43
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.29
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.03
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,6.36
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.18
+CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL914,7.57
+CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1,CHEMBL560741,9.22
+CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL559251,8.4
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1,CHEMBL556506,8.872
+C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL564144,8.4
+CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1,CHEMBL540982,7.96
+CN(C)CCc1sc2ccccc2c1Cc1cnccn1,CHEMBL551340,7.12
+C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12,CHEMBL563920,9.05
+CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL549599,8.62
+CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL558933,8.55
+CN(CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL559557,8.62
+CN(Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL551888,8.44
+CN(c1ncccn1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL561489,7.12
+CN(c1nc(=O)cc[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL94454,8.57
+COc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1,CHEMBL562894,8.15
+Cc1cnn(C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1,CHEMBL556450,8.16
+Fc1ccc(Cn2c(N3CCC(n4cccn4)CC3)nc3ccccc32)cc1,CHEMBL551347,7.74
+Fc1ccc(Cn2c(N3CCC(n4ccnc4)CC3)nc3ccccc32)cc1,CHEMBL556449,8.89
+Fc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1,CHEMBL558339,7.23
+O=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL552026,8.18
+CN(C)CCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL559061,8.54
+COc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL563055,7.85
+Fc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL559060,8.35
+CN(CCO)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL557210,8.49
+COCCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL550337,8.66
+COc1ccc(Cn2c(N3CCC(N(C)CC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL558663,7.85
+CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL550818,8.41
+COc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,CHEMBL558468,8.62
+Cc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,CHEMBL563451,8.82
+CN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL558467,8.74
+Cc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL571389,7.41
+O=C(O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL570033,6.69
+CC1CCC(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1,CHEMBL571174,7.21
+OC(c1ccccc1)(c1ccccc1)C1CCNCC1,CHEMBL127508,6.18
+COC(=O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL568892,7.7
+Cc1ccc(CCCCN2CCCCC2)cc1,CHEMBL571073,5.49
+Cc1ccc(CCCCN2CCC(C(O)c3ccccc3)CC2)cc1,CHEMBL572034,6.92
+Cc1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL571390,7.8
+Cc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL571391,7.19
+Cc1ccc(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL570695,6.81
+NCC1c2ccccc2Cc2ccccc21,CHEMBL47482,6.71
+CNCC1c2ccccc2Cc2ccccc21,CHEMBL73307,6.72
+CN(C)CC1c2ccccc2Cc2ccccc21,CHEMBL160933,7.6
+NCCC1c2ccccc2Cc2ccccc21,CHEMBL160893,6.86
+CNCCC1c2ccccc2Cc2ccccc21,CHEMBL595158,7.32
+CN(C)CCC1c2ccccc2Cc2ccccc21,CHEMBL593988,8.22
+NCCCC1c2ccccc2Cc2ccccc21,CHEMBL158780,6.76
+CNCCCC1c2ccccc2Cc2ccccc21,CHEMBL348302,8.52
+CN(C)CCCC1c2ccccc2Cc2ccccc21,CHEMBL346230,9.3
+CN(C)CC(c1ccccc1)c1ccccc1,CHEMBL10602,5.29
+NCCC(c1ccccc1)c1ccccc1,CHEMBL609579,5.56
+CNCCC(c1ccccc1)c1ccccc1,CHEMBL593494,7.19
+CN(C)CCC(c1ccccc1)c1ccccc1,CHEMBL610739,7.12
+NCCCC(c1ccccc1)c1ccccc1,CHEMBL593734,5.78
+CNCCCC(c1ccccc1)c1ccccc1,CHEMBL594138,6.41
+CN(C)CCCC(c1ccccc1)c1ccccc1,CHEMBL608689,7.15
+COc1ccc2c3c(ccc2c1)Cc1ccccc1C3CN,CHEMBL598753,5.58
+c1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL590241,6.62
+c1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL609328,6.14
+c1ccc(CCCCNCC2c3ccccc3Cc3ccccc32)cc1,CHEMBL597528,6.02
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,6.0
+O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,CHEMBL1085672,5.7
+c1ccc(N2CCN(CC3CCCCN3)C2)cc1,CHEMBL1084132,5.6
+CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N,CHEMBL236788,5.59
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl,CHEMBL236610,6.58
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F,CHEMBL393436,6.08
+CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC,CHEMBL393718,6.28
+CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC,CHEMBL1078896,6.03
+CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC,CHEMBL1078240,5.99
+CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F,CHEMBL1079180,5.86
+CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC,CHEMBL1077908,6.7
+CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1,CHEMBL1079686,5.3
+CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1,CHEMBL1082036,4.42
+CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1,CHEMBL1078745,5.44
+N#C/N=C(/NCCCCc1cnc[nH]1)NCCSc1ccccc1,CHEMBL1078642,4.59
+CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1090432,7.92
+CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1,CHEMBL1093044,4.49
+C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12,CHEMBL1091775,8.41
+CC(c1cccnc1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091776,5.0
+C[C@@H](c1cccnc1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091778,4.1
+Cc1ccnc(C(C)c2c(CCN(C)C)sc3ccccc23)c1,CHEMBL1091791,6.41
+COc1cccc(C(C)c2c(CCN(C)C)sc3ccccc23)n1,CHEMBL1091792,7.23
+CC(c1cccc(F)n1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091793,7.42
+Cc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092126,8.03
+COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091069,8.3
+C[C@@H](c1ncccc1F)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092377,8.57
+C[C@@H](c1ncccc1Cl)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092494,8.1
+C[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092495,7.89
+Cc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1,CHEMBL1092496,7.16
+COc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1,CHEMBL1092812,6.92
+Cc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092813,7.77
+COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12,CHEMBL1093294,8.54
+C[C@H](c1cccnc1F)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092765,8.77
+C[C@H](c1cccnc1Cl)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092766,8.54
+CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092767,7.46
+C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091782,8.34
+C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092118,8.28
+CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1,CHEMBL1093607,6.91
+C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1,CHEMBL1093058,8.36
+Cc1cncc(CC2=C(CCN(C)C)Cc3ccccc32)n1,CHEMBL1088882,7.92
+Cc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21,CHEMBL1088898,7.2
+Cc1cnc(CC2=C(CCN(C)C)Cc3ccccc32)cn1,CHEMBL1088899,7.46
+COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21,CHEMBL1088900,8.66
+CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1,CHEMBL1090197,8.11
+CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1,CHEMBL1090198,7.82
+COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc21,CHEMBL1092597,9.0
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1,CHEMBL1092598,9.1
+Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1,CHEMBL1092599,8.51
+Cc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1,CHEMBL1092600,7.92
+COc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1,CHEMBL1092258,8.05
+CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1,CHEMBL1092259,8.85
+CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1,CHEMBL1092649,8.85
+COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21,CHEMBL1092650,8.82
+COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc21,CHEMBL1092651,9.1
+CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1,CHEMBL1092652,8.68
+CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1,CHEMBL1092662,8.77
+Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1,CHEMBL1092663,8.38
+COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1,CHEMBL1090175,8.51
+COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc21,CHEMBL1090176,8.57
+COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC,CHEMBL1090186,8.89
+COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21,CHEMBL1090526,9.15
+C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1,CHEMBL1090527,9.52
+Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1,CHEMBL1090528,8.66
+COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1,CHEMBL1093623,8.6
+CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21,CHEMBL1087493,8.32
+COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1,CHEMBL1087367,8.08
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,9.2
+O=C(O)CCN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1,CHEMBL1222553,7.3
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222554,7.6
+CC(C)(CN1CCCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222623,7.3
+CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O,CHEMBL1222624,7.7
+C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,CHEMBL1222625,7.5
+O=C(O)C1CC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)C1,CHEMBL1222626,7.75
+O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1,CHEMBL1222692,7.05
+Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222693,7.4
+Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2,CHEMBL1222694,7.3
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O,CHEMBL1222695,7.1
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O,CHEMBL1222762,7.4
+CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O,CHEMBL1222763,7.4
+COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,CHEMBL1222764,6.9
+O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1,CHEMBL1242923,6.11
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,6.21
+FC(F)(F)c1ccc(SCC(c2ccncc2)c2cnc[nH]2)cc1,CHEMBL1243367,6.27
+FC(F)(F)c1ccc(SC[C@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243394,6.55
+FC(F)(F)c1ccc(SC[C@@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243395,7.32
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,6.3
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,5.82
+NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259172,7.19
+CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL1259187,7.19
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,9.72
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,7.92
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,7.82
+CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259173,8.44
+CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259174,8.6
+CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259189,8.35
+CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL1259190,8.3
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,6.32
+O=C(O)[C@@H]1CCCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)C1,CHEMBL1277492,6.7
+O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(F)ccc2Sc2ccccc23)CC1,CHEMBL1277491,6.7
+O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)CC1,CHEMBL1277401,6.0
+O=C(O)C1=CCCN(C2CCC3(C2)C(=O)c2ccccc2Cc2ccccc23)C1,CHEMBL1277400,7.1
+O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277312,7.3
+O=C(O)[C@@H]1CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277311,6.9
+O=C(O)C1(F)CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277217,6.8
+O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277216,7.1
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277126,7.3
+O=C(O)C1=CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277125,7.0
+O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277035,6.7
+O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277034,6.5
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276948,8.2
+O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,CHEMBL1276947,7.5
+O=C(O)[C@@H]1[C@H]2CN(C3CCC4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21,CHEMBL1276860,7.4
+O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276859,7.5
+CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278202,7.9
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278201,7.8
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1,CHEMBL1278113,7.0
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1,CHEMBL1278112,7.2
+O=C(O)C1(F)CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278019,6.1
+O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277584,7.7
+O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277585,7.6
+O=C(O)C1(F)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277678,7.4
+O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277679,7.3
+CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277769,7.3
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277770,7.3
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277854,7.4
+O=C(O)C1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1,CHEMBL1277855,7.4
+O=C(O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277935,7.65
+COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278020,7.8
+O=C(O)C1=CCCN(C2CC[C@@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1278021,6.8
+O=C(O)CCNC1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278114,8.0
+O=C(O)CCNC1CC[C@@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278115,7.6
+CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,CHEMBL1278116,8.4
+COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,CHEMBL74355,6.0
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,9.83
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,5.9
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.62
+CCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL1669405,8.14
+CCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL1669406,7.39
+CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1,CHEMBL1669407,7.62
+C[C@H](C1=C(CCN(C)CCF)Cc2ccccc21)c1cnccn1,CHEMBL1669408,7.89
+C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc21)c1cnccn1,CHEMBL1669409,7.49
+C[C@H](C1=C(CCN(C)CCC#N)Cc2ccccc21)c1cnccn1,CHEMBL1669410,6.96
+C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc21)c1cnccn1,CHEMBL1669411,7.04
+c1ccc2c(c1)CC(CCN1CCC1)=C2Cc1cnccn1,CHEMBL1669412,8.37
+c1ccc2c(c1)CC(CCN1CCCC1)=C2Cc1cnccn1,CHEMBL1669413,8.55
+FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,CHEMBL1669414,7.31
+FC1(F)CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,CHEMBL1669415,5.34
+FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,CHEMBL1669416,6.6
+FC1CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,CHEMBL1669417,7.98
+C[C@H](C1=C(CCN(C)Cc2ccco2)Cc2ccccc21)c1cnccn1,CHEMBL1669418,8.09
+C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc21)c1cnccn1,CHEMBL1669419,8.17
+C[C@H](C1=C(CCN(C)Cc2nccs2)Cc2ccccc21)c1cnccn1,CHEMBL1669420,7.32
+C[C@H](C1=C(CCN(C)Cc2ncco2)Cc2ccccc21)c1cnccn1,CHEMBL1669421,6.79
+C[C@H](C1=C(CCN(C)Cc2ncc[nH]2)Cc2ccccc21)c1cnccn1,CHEMBL1669422,8.06
+C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1,CHEMBL1669423,7.55
+C[C@H](C1=C(CCN(C)Cc2ccccn2)Cc2ccccc21)c1cnccn1,CHEMBL1669424,7.86
+C[C@H](C1=C(CCN(C)Cc2ccncc2)Cc2ccccc21)c1cnccn1,CHEMBL1669425,8.31
+C[C@H](C1=C(CCN(C)Cc2cnccn2)Cc2ccccc21)c1cnccn1,CHEMBL1669426,7.61
+C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1,CHEMBL1669427,7.82
+COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OC,CHEMBL1767150,5.8
+COC(=O)c1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767143,6.2
+CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O,CHEMBL1767151,7.1
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O,CHEMBL1767142,6.4
+CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767157,7.2
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767162,7.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767159,7.3
+CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767163,7.4
+CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O,CHEMBL1767152,7.5
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767168,7.6
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767161,7.7
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1765111,7.8
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767160,7.8
+O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767166,7.9
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767167,7.9
+CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767135,8.0
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767164,7.933
+COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1,CHEMBL1767165,8.1
+CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767155,8.2
+CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767139,8.3
+CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767158,8.6
+COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767147,8.7
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O,CHEMBL1767146,8.8
+CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12,CHEMBL1767153,8.8
+CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL639,8.91
+CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL1767156,9.0
+Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767148,9.1
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O,CHEMBL1767145,9.3
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O,CHEMBL1767140,9.5
+CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767154,9.5
+CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767134,9.6
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O,CHEMBL1767149,9.6
+Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767141,9.7
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767136,9.795
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O,CHEMBL1767138,9.8
+COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767137,10.0
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,5.62
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,9.43
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,5.93
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.96
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,8.48
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,7.74
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.28
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,9.14
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,10.31
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,7.765
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,9.965
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.68
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,6.43
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,8.35
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.47
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,8.06
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.81
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,8.01
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.84
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,9.4
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,9.48
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,8.94
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,8.23
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,8.55
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,7.72
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,8.74
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,8.51
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.76
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,7.38
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.08
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.61
+O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1,CHEMBL1910386,8.26
+COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1,CHEMBL1910385,6.67
+COc1ccc(CN(CCN[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccn2)cc1,CHEMBL1910384,6.34
+O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL1910383,6.65
+COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910382,7.0
+COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910381,8.15
+COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910380,6.22
+COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910379,6.11
+COc1ccc(CN(CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910378,6.77
+c1ccc(Cc2ccccc2OC2CCNCC2)cc1,CHEMBL1923521,8.21
+CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1,CHEMBL1923522,7.21
+NC1=Nc2nc3ccccc3n2C(c2ccccc2)N1,CHEMBL1923523,6.37
+Cc1cccc2c(CCN)cn(Cc3ccccc3)c12,CHEMBL1923524,6.27
+CN(C)CCSc1nc2ccccc2c2nnnn12,CHEMBL1923525,6.15
+OCCN1CCN(c2ncnc3sccc23)CC1,CHEMBL1923526,6.15
+CNCCCOc1cccc2ccccc12,CHEMBL343324,6.1
+c1cnc2c(c1)cc([C@@H]1CCCO1)n2CCN1CCCCC1,CHEMBL3557423,5.75
+C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1,CHEMBL1403257,5.72
+CNCC(O)CN1c2ccccc2C2CCCCC21,CHEMBL1923528,5.64
+c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21,CHEMBL1923529,5.58
+c1ccc2c(N3CCN(C4CCCC4)CC3)ncnc2c1,CHEMBL1923530,5.49
+c1ccc2c(c1)n(CCN1CCCCC1)c1ncnn21,CHEMBL1923531,5.38
+CC(C)NCc1ccc(-c2ccccc2)o1,CHEMBL1923532,5.34
+OCCN1CCN(c2ncnc3c2oc2ccccc23)CC1,CHEMBL434001,5.27
+OC(CNC1CC1)Cn1c2ccccc2c2ccccc21,CHEMBL1923533,5.2
+NCCSc1nc(C2CCCCC2)n(-c2ccccc2)n1,CHEMBL1923534,5.09
+C=CCn1c(=N)n(CC(=O)c2ccccc2)c2ccccc21,CHEMBL1617548,4.97
+NCCc1ccccc1Oc1ccccc1,CHEMBL1923535,4.96
+CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1,CHEMBL1935571,5.13
+CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1,CHEMBL1935572,5.55
+CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1,CHEMBL1935573,5.19
+Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,CHEMBL1935574,4.98
+CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1087089,9.3
+CN(C)C(=O)CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1935431,8.145
+CCN(CC)C(=O)CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1935432,8.2
+O=C(CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCCCC1,CHEMBL1935433,8.31
+O=C(CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1,CHEMBL1935434,7.78
+Fc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1,CHEMBL1935435,7.985
+OCCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1935436,9.0
+Fc1ccc(Cn2c([C@@H]3CCCNC3)nc3ccccc32)cc1,CHEMBL1935437,8.92
+CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1095819,9.05
+c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1,CHEMBL1935438,9.0
+CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,CHEMBL1094510,9.1
+CN(C)C(=O)CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,CHEMBL1935439,8.115
+c1ccc(OCCn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1,CHEMBL1935440,7.61
+Cc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1,CHEMBL1935441,9.0
+Fc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1,CHEMBL1935442,9.1
+Fc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1,CHEMBL1935446,8.89
+COc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1,CHEMBL1935447,8.85
+COc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1,CHEMBL1935448,7.04
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940412,7.2
+c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940414,7.17
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,6.78
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,6.67
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.58
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1,CHEMBL1946122,5.38
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,5.76
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,6.1
+Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946126,6.29
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,5.9
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,7.21
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,6.18
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+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146802,9.04
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+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O,CHEMBL2146804,9.16
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146805,9.46
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146806,9.4
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146801,9.6
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+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146807,9.2
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146808,9.0
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+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146810,9.2
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+O=C(O)c1cccc(CN2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2158832,7.3
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+O=C(O)COc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2158829,8.3
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+O=C(O)Cc1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2158827,7.7
+O=C(O)Cc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2158826,8.3
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+O=C(O)c1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2158824,7.2
+O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2158823,8.3
+O=C(O)c1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2158822,8.2
+O=C(O)[C@@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2158821,7.0
+O=C(O)[C@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2158820,7.6
+O=C(O)C(c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2158819,7.3
+O=C(O)C(c1ccccc1)N1CCO[C@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL2158818,7.0
+O=C(O)C(c1ccccc1)N1CCO[C@@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL2158817,7.7
+O=C(O)C(c1ccccc1)N1CCCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL2158816,7.2
+O=C(O)C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2158815,7.2
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2158814,7.5
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,8.7
+Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1Cl,CHEMBL2171021,7.6
+O=C(c1c[nH]c(=O)c2ccccc12)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171020,7.6
+CS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171019,8.1
+Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2171013,8.6
+Cc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccccc4)CC3)CC2)c1Cl,CHEMBL2171016,7.6
+O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1,CHEMBL2171015,7.0
+Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)NS(=O)(=O)c4ccc(N(C)C)cc4)CC3)CC2)c1Cl,CHEMBL2171014,7.7
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+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(F)c(F)c4)CC3)CC2)cc1,CHEMBL2171050,6.0
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4)CC3)CC2)cc1,CHEMBL2171049,6.9
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4C)CC3)CC2)cc1,CHEMBL2171048,7.6
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1,CHEMBL2171047,7.7
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4Cl)CC3)CC2)cc1,CHEMBL2171046,7.8
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171045,7.4
+N#Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171044,7.7
+O=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171043,8.1
+Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171042,7.5
+CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171041,7.6
+COc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171040,7.7
+O=C(NS(=O)(=O)c1ccccc1Cl)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171039,7.3
+Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171038,7.3
+CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2171037,7.7
+COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL2171036,7.7
+O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171035,7.7
+O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171034,7.3
+O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171033,7.5
+CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)[C@H](C(=O)O)C2)c1,CHEMBL2171032,6.7
+O=C(O)CCCCn1nnc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)CC3)cc2)n1,CHEMBL2171029,7.4
+O=C(O)CCNc1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171028,7.8
+O=C(O)CCCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171027,7.1
+O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171026,7.5
+O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171025,7.8
+O=C(O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171024,6.9
+O=C(O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2171023,7.6
+O=C(O)COc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL2171022,7.0
+Cc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)nn1,CHEMBL2178580,7.33
+O=C(O)Cc1ccc2c(c1)/C(=C/CN1CCCC(Cc3ccccc3)C1)c1ccccc1CO2,CHEMBL2178582,7.7
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,6.23
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,6.17
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,6.74
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,5.42
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.05
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.43
+Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O,CHEMBL2207665,8.3
+Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl,CHEMBL2207664,8.0
+Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1,CHEMBL2207663,8.0
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+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn[nH]c1C1CC1,CHEMBL2207661,7.9
+Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl,CHEMBL2207660,7.4
+Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1,CHEMBL2207659,7.6
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn[nH]c1C(F)(F)F,CHEMBL2207658,7.8
+Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1,CHEMBL2207657,8.6
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+NS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,CHEMBL2207282,7.7
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+CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,CHEMBL2207671,7.7
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+N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl,CHEMBL2207669,6.9
+N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1,CHEMBL2207668,6.3
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+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,CHEMBL2207642,6.31
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,CHEMBL2207641,6.0
+COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,CHEMBL2207639,5.19
+COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,CHEMBL2207638,5.26
+COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,CHEMBL2207637,5.59
+COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,CHEMBL2207635,5.85
+N#Cc1cccc(OC[C@@H](O)CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208424,9.5
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c(=O)c2ccccc12,CHEMBL2208431,8.2
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1[nH]nc2ccccc12,CHEMBL2208429,8.1
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+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)n1c(=O)[nH]c2ccccc21,CHEMBL2208432,7.7
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12,CHEMBL2208430,7.5
+N#Cc1cccc(OC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208419,8.5
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+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cnnc2ccccc12,CHEMBL2208435,7.9
+N#Cc1cccc(OCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208420,7.9
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1,CHEMBL2208425,7.8
+N#Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208423,7.7
+COc1cccc(SC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208421,7.7
+COc1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)ccc1N,CHEMBL2208427,7.2
+N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208422,7.1
+CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)s1,CHEMBL2208426,7.0
+CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1,CHEMBL2208428,6.7
+O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1,CHEMBL2208418,6.5
+N#Cc1cccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208436,6.3
+N#Cc1ccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL2208417,6.3
+CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL2208437,5.9
+CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCCC1,CHEMBL272899,6.51
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,5.78
+CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1,CHEMBL2376804,4.68
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1,CHEMBL2376803,4.78
+CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376801,4.95
+CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376800,4.47
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.54
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.37
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,5.99
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,6.29
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,5.32
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.38
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.25
+COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432046,5.87
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,5.85
+Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,CHEMBL2441619,6.4
+O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092650,5.6
+CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL1783890,5.8
+c1ccc(COc2ccc3c(c2)CCN(CC2CC2)CC3)cc1,CHEMBL3094114,6.0
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCO1)CC2,CHEMBL3094216,5.7
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CC1)CC2,CHEMBL3094215,5.7
+c1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1,CHEMBL3094214,6.0
+c1cc2c(cc1OCCCN1CCCCC1)CCNCC2,CHEMBL3094130,5.9
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,7.32
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.3
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,8.5
+Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238444,4.53
+Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238445,4.98
+C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O,CHEMBL3238446,4.5
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1,CHEMBL3233067,5.21
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238447,5.65
+Clc1ccc(CCCOCCCN2CCCCC2)cc1,CHEMBL462605,5.94
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,7.16
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.14
+CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(OC)cnc32)CC1,CHEMBL3357024,5.71
+CCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL331603,6.77
+CC(C)COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357035,5.89
+C/C=C/C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357041,6.82
+CC(C)CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357042,6.54
+CCCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357043,6.83
+O=C(CC1CCCCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357045,6.36
+CC(C)C[C@@H](N)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL3357049,5.33
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1,CHEMBL3358509,6.96
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.89
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,6.16
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,6.94
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,5.76
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,5.38
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,6.01
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,5.92
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.0
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,6.8
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,5.89
+CN1CCN(c2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)CC1,CHEMBL3753705,5.93
+CN1CCN(c2nc(NCCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,CHEMBL3753985,5.73
+COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1,CHEMBL3752972,5.97
+CN1CCN(c2nc(NCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,CHEMBL3753967,5.72
+CN1CCN(c2nc(NCCc3ccccc3)cc(-c3ccccc3)n2)CC1,CHEMBL3752978,5.71
+COc1ccc(CNc2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1,CHEMBL3754008,5.38
+CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1,CHEMBL3753849,5.6
+CN1CCN(c2cc(-c3ccccc3)nc(NCCc3ccccc3)n2)CC1,CHEMBL3752383,5.48
+COc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1,CHEMBL3752195,5.28
+CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1,CHEMBL3752085,5.95
+COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1,CHEMBL3753784,5.2
+CN1CCN(c2nc(NCCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,CHEMBL3753621,5.09
+CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,CHEMBL3752885,6.05
+CN1CCN(c2nc(NCCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3753962,5.03
+COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,CHEMBL3752225,5.24
+CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3753334,5.71
+Cc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,CHEMBL3754176,5.47
+CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3752270,5.68
+CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1,CHEMBL494093,5.04
+CC(C)CN/C(=N/C#N)NC[C@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806255,5.06
+CC(C)CN/C(=N/C#N)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3805003,5.08
+N#C/N=C(/NCCCc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3805663,5.03
+N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3805361,5.205
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806079,5.47
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805220,5.1
+N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805431,5.17
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,6.57
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,6.27
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,6.56
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.295
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,6.6
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.73
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,5.99
+O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,CHEMBL3817911,5.44
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,6.08
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,6.13
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.42
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,7.06
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,7.185
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.775
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,5.825
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,6.685
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,6.22
diff --git a/chembl_200/CHEMBL232.csv b/chembl_200/CHEMBL232.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4caf5229d5aed22ecf0d1f23395971a52cb822e0
--- /dev/null
+++ b/chembl_200/CHEMBL232.csv
@@ -0,0 +1,1074 @@
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL288772,6.44
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL295395,6.07
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL42640,6.48
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL291166,6.37
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43491,7.0
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,CHEMBL287791,7.27
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL43860,7.43
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL288768,5.98
+CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,CHEMBL295001,6.09
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+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.0
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,6.3
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+COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC,CHEMBL335731,8.04
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+Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1,CHEMBL302637,6.28
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+COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311014,5.78
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+O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL313990,7.62
+COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL311290,5.71
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+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1,CHEMBL95736,6.74
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCCN)N1,CHEMBL95578,6.35
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL180561,6.46
+CCNC(=O)C1C(=COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL95253,6.6
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+CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1,CHEMBL95263,6.9
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+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,5.1
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+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL8412,6.66
+CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1,CHEMBL1169493,6.03
+CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL418926,5.85
+CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,CHEMBL82267,6.77
+COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1,CHEMBL79532,5.66
+O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL135973,7.33
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL96467,6.92
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56438,8.0
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1,CHEMBL298595,7.94
+O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56620,7.08
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1,CHEMBL294023,6.1
+CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl,CHEMBL55790,6.04
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1,CHEMBL56869,6.91
+COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1,CHEMBL57540,6.88
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1,CHEMBL292686,6.56
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1,CHEMBL60699,6.58
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL299454,7.44
+Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL58476,6.92
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1,CHEMBL293539,8.0
+Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL291908,7.13
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL301224,8.1
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1,CHEMBL56804,7.45
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL57593,7.06
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1,CHEMBL56899,7.32
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL59262,8.27
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1,CHEMBL440118,7.43
+O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL294646,7.06
+O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2,CHEMBL299253,7.69
+CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL300152,7.88
+O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL55319,7.87
+CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1,CHEMBL57317,7.36
+O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2,CHEMBL292366,7.8
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1,CHEMBL299691,7.185
+Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL431354,6.77
+COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1,CHEMBL57859,7.26
+Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL55654,7.58
+CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL292399,6.89
+O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL294235,7.27
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL57364,6.66
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1,CHEMBL56292,8.11
+CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL60583,8.3
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1,CHEMBL55655,6.09
+Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL59149,6.71
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL431943,7.24
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1,CHEMBL293968,6.58
+N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL57868,7.77
+COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL417939,8.09
+N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL299022,7.34
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1,CHEMBL58384,6.35
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL293111,7.28
+Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1,CHEMBL293734,7.08
+O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL55882,7.1
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21,CHEMBL60722,8.48
+COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21,CHEMBL2115086,8.79
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21,CHEMBL294098,8.59
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21,CHEMBL291588,7.98
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21,CHEMBL440865,9.04
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21,CHEMBL304215,8.48
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21,CHEMBL291769,7.79
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21,CHEMBL302203,8.64
+COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC,CHEMBL445325,7.82
+COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2,CHEMBL303988,7.02
+COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2,CHEMBL302192,7.2
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21,CHEMBL291528,8.64
+COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1,CHEMBL61225,8.42
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21,CHEMBL293695,9.18
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21,CHEMBL61483,9.48
+COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC,CHEMBL58862,8.48
+COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2,CHEMBL59575,6.94
+COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC,CHEMBL58612,7.54
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21,CHEMBL62206,7.9
+COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1,CHEMBL58956,9.18
+COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1,CHEMBL293236,8.47
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21,CHEMBL60721,8.89
+COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2,CHEMBL58585,6.72
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21,CHEMBL299907,8.09
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21,CHEMBL58105,7.95
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21,CHEMBL60471,8.57
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21,CHEMBL432147,8.51
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21,CHEMBL431720,8.88
+COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2,CHEMBL291305,7.21
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl,CHEMBL62109,8.03
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21,CHEMBL60510,8.39
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21,CHEMBL61598,9.08
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21,CHEMBL291839,8.79
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21,CHEMBL62110,8.98
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21,CHEMBL62033,8.81
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21,CHEMBL290387,7.45
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21,CHEMBL445071,9.0
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21,CHEMBL292881,8.68
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC,CHEMBL291303,8.19
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1,CHEMBL62028,9.13
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21,CHEMBL61491,8.94
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21,CHEMBL294027,8.15
+COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1,CHEMBL369154,8.79
+COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2,CHEMBL324090,10.03
+O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,CHEMBL279516,7.513
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL423294,9.642
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,8.15
+COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC,CHEMBL97698,9.23
+N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1,CHEMBL140450,7.565
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,7.29
+COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1,CHEMBL72657,7.68
+COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,CHEMBL76168,8.8
+COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1,CHEMBL286565,6.71
+COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19476,8.7
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19826,8.46
+COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19376,7.6
+c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101739,7.26
+Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1,CHEMBL101579,7.28
+Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101610,7.62
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21,CHEMBL322688,7.62
+COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL431631,6.76
+O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21,CHEMBL98167,5.89
+C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL100878,7.28
+O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21,CHEMBL101869,7.32
+O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2,CHEMBL100052,7.31
+CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O,CHEMBL99614,6.83
+Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2,CHEMBL98430,6.66
+O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21,CHEMBL98168,6.86
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1,CHEMBL179334,6.74
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,7.37
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL290860,7.185
+CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O,CHEMBL91616,7.28
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL93693,7.07
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C,CHEMBL90420,7.7
+CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C,CHEMBL90421,6.92
+CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O,CHEMBL419497,6.49
+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359430,5.77
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145746,7.0
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145178,6.32
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145587,7.17
+COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145278,6.36
+COC=C1N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(c2ccc(F)c(F)c2)C1C(=O)OC,CHEMBL141604,6.4
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F,CHEMBL357842,6.8
+COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL142981,6.85
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145770,6.85
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL436407,7.47
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1,CHEMBL142606,6.3
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359421,7.03
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145001,6.31
+COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL342347,5.82
+COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1,CHEMBL145353,6.39
+COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1,CHEMBL144731,6.49
+COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1,CHEMBL144534,6.51
+CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F,CHEMBL142719,6.06
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL358313,6.09
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145411,6.6
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL357828,6.62
+COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL357131,6.37
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCC[N-][N+]#N)N1,CHEMBL98063,7.01
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,8.16
+COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1,CHEMBL418882,5.73
+COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,CHEMBL67932,6.12
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1,CHEMBL421297,6.21
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1,CHEMBL69848,6.59
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1,CHEMBL67713,6.42
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1,CHEMBL66823,5.59
+COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1,CHEMBL302495,5.97
+COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1,CHEMBL68241,6.23
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL305029,6.38
+COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12501,5.0
+CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1,CHEMBL11828,5.0
+CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL418531,5.0
+CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1,CHEMBL12529,4.58
+CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1,CHEMBL268030,5.0
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1,CHEMBL12603,5.45
+O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL12364,5.0
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1,CHEMBL12062,5.0
+CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1,CHEMBL12202,5.65
+CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1,CHEMBL12127,5.27
+CC(C)Oc1ccccc1N1CCN(CC(O)=CC(=O)CN2CCCCC2=O)CC1,CHEMBL274529,5.0
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1,CHEMBL275469,4.34
+C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3,CHEMBL25467,7.66
+COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21,CHEMBL320397,6.44
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.76
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1,CHEMBL303464,7.51
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1,CHEMBL68601,6.22
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1,CHEMBL67552,6.32
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1,CHEMBL70892,6.59
+COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1,CHEMBL304591,6.44
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1,CHEMBL71580,6.22
+CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL69264,6.33
+COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O,CHEMBL68565,5.79
+CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1,CHEMBL302092,5.91
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,8.33
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL14199,7.8
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1,CHEMBL13754,8.43
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1,CHEMBL13735,8.91
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1,CHEMBL13903,8.73
+COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1,CHEMBL14213,8.35
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,8.04
+COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12,CHEMBL139505,8.38
+COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1,CHEMBL2112774,6.48
+COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL2112779,7.36
+COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1,CHEMBL444590,8.1
+COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL2112778,7.27
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,6.57
+COc1cccc2c1CCCC2CCCNCCOc1ccccn1,CHEMBL344432,7.58
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2,CHEMBL50490,6.92
+NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL50081,6.46
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1,CHEMBL299539,6.52
+COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL300272,5.92
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL300222,6.46
+COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL51019,6.47
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL301077,6.89
+O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2,CHEMBL51871,6.68
+N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1,CHEMBL298579,6.01
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1,CHEMBL299984,6.41
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1,CHEMBL310471,5.41
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1,CHEMBL440499,5.51
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1,CHEMBL421324,5.35
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+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145894,7.1
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1,CHEMBL359012,6.31
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1,CHEMBL357628,6.21
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1,CHEMBL142929,6.89
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1,CHEMBL145571,5.55
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL144989,7.44
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342126,7.7
+COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1,CHEMBL239806,5.71
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342543,6.15
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL146654,7.74
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL142307,7.77
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142236,7.0
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1,CHEMBL142398,7.82
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145525,7.37
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145574,6.77
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145443,8.08
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1,CHEMBL341849,7.89
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL142718,6.14
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1,CHEMBL145394,6.795
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1,CHEMBL141821,7.8
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1,CHEMBL145843,7.64
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL145756,6.29
+COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL145072,6.89
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1,CHEMBL145547,7.31
+CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1,CHEMBL142251,8.06
+CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1,CHEMBL445577,7.49
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1,CHEMBL344525,7.77
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL342731,8.12
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1,CHEMBL145338,7.6
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145122,5.89
+CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL358795,6.66
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL357439,6.39
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1,CHEMBL359433,6.82
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1,CHEMBL145190,7.82
+COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1,CHEMBL357172,7.24
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL299914,5.72
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1,CHEMBL62045,7.01
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1,CHEMBL59590,6.24
+Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1,CHEMBL62249,5.82
+Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1,CHEMBL61643,5.74
+CC1=[N+]([O-])ONC1=COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1,CHEMBL338608,8.33
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C#N)CC3)cccc2c1=O,CHEMBL125989,8.19
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC=C4NO[N+]([O-])=C4C(N)=O)CC3)cccc2c1=O,CHEMBL125365,7.8
+Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O,CHEMBL338029,8.92
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1,CHEMBL2111563,7.13
+C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL2114249,7.32
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1,CHEMBL2112365,7.12
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,9.078
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O,CHEMBL49851,7.87
+COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1,CHEMBL301078,7.82
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O,CHEMBL51074,7.81
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1,CHEMBL301726,7.66
+O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL135974,5.74
+O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL134428,7.03
+COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL286003,7.332999999999999
+c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL37883,7.2
+CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL37962,6.59
+COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1,CHEMBL42472,10.4
+COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1,CHEMBL40325,7.56
+COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1,CHEMBL42558,8.55
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1,CHEMBL43905,8.94
+COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O,CHEMBL44403,8.91
+COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1,CHEMBL42231,7.91
+Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71479,5.46
+O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21,CHEMBL70740,5.67
+CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1,CHEMBL74114,6.42
+CS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL544290,5.89
+CSc1c(F)cccc1NCC1=NCCN1,CHEMBL70692,6.62
+CCSc1ccccc1NCC1=NCCN1,CHEMBL540035,7.12
+CSc1cc(F)ccc1NCC1=NCCN1,CHEMBL306792,7.82
+CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1,CHEMBL74467,5.88
+CCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL70973,6.04
+CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70634,5.53
+CS(=O)(=O)Nc1ccc(F)c([C@@H](O)CN)c1,CHEMBL72958,4.95
+CC(C)Sc1ccccc1NCC1=NCCN1,CHEMBL553276,6.77
+CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1,CHEMBL419448,5.64
+COc1ccc(SC)c(NCC2=NCCN2)c1,CHEMBL70691,6.16
+CSc1ccc(Cl)cc1NCC1=NCCN1,CHEMBL70751,7.16
+CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1,CHEMBL72724,5.69
+COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1,CHEMBL71001,5.34
+CCCS(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL554416,6.08
+CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1,CHEMBL74071,6.0
+CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1,CHEMBL70563,6.19
+CSc1ccc(C)cc1NCC1=NCCN1,CHEMBL72441,6.91
+CSc1ccc(F)cc1NCC1=NCCN1,CHEMBL72768,7.39
+CSc1ccccc1NCC1=NCCN1,CHEMBL540542,7.18
+CS(=O)c1ccccc1NCC1=NCCN1,CHEMBL542402,6.1
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.08
+CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1,CHEMBL70326,6.29
+Brc1c(NC2=NCCN2)ccc2c1NCCN2,CHEMBL74283,5.36
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,5.27
+Clc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL72753,4.98
+Cc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL49137,5.48
+c1cnc2cc(NC3=NCCN3)ccc2n1,CHEMBL49395,5.49
+Ic1c(NC2=NCCN2)ccc2nccnc12,CHEMBL70676,5.72
+Brc1c(NC2=NCCS2)ccc2nccnc12,CHEMBL73392,4.22
+Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)C)cc2)CC1,CHEMBL100481,5.39
+CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1,CHEMBL100434,5.02
+CCOc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1,CHEMBL433014,7.21
+O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN2c3ccccc3OCC2C1,CHEMBL95605,5.11
+COc1ccccc1C1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL99761,8.54
+CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC2)cc1,CHEMBL95986,4.0
+COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1,CHEMBL99142,7.68
+O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL57163,8.59
+CCc1nc2c3ccccc3nc-2c(O)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL99979,7.56
+Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1,CHEMBL317556,5.69
+COc1ccccc1N1CCN(CCCn2cnc3c4ccccc4nc-3c2O)CC1,CHEMBL98807,6.79
+COc1ccccc1N1CCN(CCn2cnc3c4ccccc4nc-3c2O)CC1,CHEMBL433203,7.86
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL301707,8.74
+CCc1nc2c3ccccc3nc-2c(O)n1CCN1CCN(c2ccccc2OC)CC1,CHEMBL329971,6.61
+CCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL317555,7.84
+O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2O)CC1,CHEMBL99879,7.93
+COc1ccccc1N1CCN(CCCn2c(C)nc3c4ccccc4nc-3c2O)CC1,CHEMBL316677,7.57
+CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(=COCCN)N1,CHEMBL180932,6.49
+C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,CHEMBL24778,7.7
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL284470,7.03
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)N1,CHEMBL25121,6.83
+COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C,CHEMBL25300,8.9
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL24777,7.1
+COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O,CHEMBL267336,7.8
+O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1,CHEMBL286591,6.7
+CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1,CHEMBL88272,7.8
+CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(CC)N1,CHEMBL276932,6.55
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1,CHEMBL27899,6.76
+COc1ccc(CCNCC2CCc3ccccc3C2)cc1,CHEMBL282214,7.4
+COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1,CHEMBL24981,7.9
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL144286,7.91
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3,CHEMBL145785,8.13
+COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3,CHEMBL423018,7.1
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL143558,7.4
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3,CHEMBL143026,8.05
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3,CHEMBL145793,6.53
+COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3,CHEMBL144779,6.66
+COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3,CHEMBL2112853,7.9
+CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1,CHEMBL315392,5.93
+COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL88448,6.62
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1,CHEMBL314960,6.91
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL327931,7.38
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1,CHEMBL315538,6.69
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91956,7.11
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1,CHEMBL313160,6.79
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1,CHEMBL89243,6.82
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,CHEMBL92322,6.86
+CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL327775,6.78
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88628,5.75
+CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL313251,6.01
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1,CHEMBL327712,6.94
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL91415,6.65
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL91022,7.87
+CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1,CHEMBL313953,6.79
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2,CHEMBL88388,6.42
+COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1,CHEMBL315914,6.57
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL312871,5.93
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1,CHEMBL91550,6.61
+CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL89685,6.58
+CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL57740,7.0
+Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL55290,7.4
+COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL418112,6.8
+C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O,CHEMBL56375,6.6
+Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL55695,8.0
+O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL299452,7.0
+CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL291951,6.7
+Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O,CHEMBL292403,7.0
+Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C,CHEMBL292189,7.8
+O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,CHEMBL301650,8.2
+O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,CHEMBL56863,8.3
+O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL59153,6.9
+Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL417758,6.4
+Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL293149,7.8
+Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O,CHEMBL55629,7.2
+Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,CHEMBL56331,7.5
+O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL55645,6.8
+CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,CHEMBL53675,7.1
+O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL298838,7.3
+O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1,CHEMBL417954,7.0
+Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1,CHEMBL56489,6.8
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL27013,9.96
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC,CHEMBL341665,9.78
+COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL29591,8.97
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,5.7
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,5.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,5.7
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL43116,9.27
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,5.8
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.0
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,5.7
+O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL114345,7.72
+O=c1[nH]c2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL115262,7.36
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL430706,8.89
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2cc3ccccc3[nH]2)CC1,CHEMBL331803,7.05
+O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL323778,6.51
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(F)cc2)CC1,CHEMBL413707,7.52
+O=C(c1ccc(Cl)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL116292,7.03
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL355910,5.41
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1,CHEMBL358406,6.81
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL346649,6.41
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1,CHEMBL356623,5.26
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL358253,6.67
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151825,6.28
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151668,4.54
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL148552,6.14
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1,CHEMBL150743,4.4
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL356923,4.35
+COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL357061,5.8
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347499,5.93
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1,CHEMBL149263,5.47
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1,CHEMBL150696,4.61
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347501,5.8
+CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL147077,5.347
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1,CHEMBL359375,6.28
+COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146815,5.93
+CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL347522,5.28
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1,CHEMBL151045,5.72
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1,CHEMBL347559,5.99
+CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL151878,5.57
+CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,CHEMBL357681,5.51
+CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL146983,4.4
+COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78785,8.26
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL80599,8.09
+CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1,CHEMBL78874,8.84
+COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL77618,8.84
+COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1,CHEMBL80132,7.48
+COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL420959,7.31
+COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL81486,8.75
+COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80730,9.19
+COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL311479,8.7
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1,CHEMBL420205,8.42
+COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78676,8.7
+COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL78584,6.59
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL77901,7.3
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1,CHEMBL79161,7.27
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1,CHEMBL310599,9.12
+COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80458,8.4
+COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80260,7.69
+COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1,CHEMBL80641,8.48
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,6.59
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL446180,5.96
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,5.85
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,6.42
+COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178923,8.9
+COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL178673,9.51
+COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC,CHEMBL175934,9.27
+COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC,CHEMBL179743,9.17
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.0
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,6.5
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.5
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.7
+COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1,CHEMBL362954,6.99
+Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL194849,6.07
+COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1,CHEMBL200580,9.4
+COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1,CHEMBL427552,8.7
+COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC,CHEMBL198431,8.2
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1,CHEMBL196817,9.4
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1,CHEMBL197442,9.1
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-],CHEMBL200136,8.6
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1,CHEMBL200366,9.6
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1,CHEMBL199080,9.6
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C,CHEMBL382972,9.1
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1,CHEMBL200446,9.0
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1,CHEMBL198860,9.8
+COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl,CHEMBL200839,9.25
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.42
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,CHEMBL150161,7.185
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,7.37
+COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215421,8.24
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218732,6.26
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL385371,6.43
+COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214506,6.26
+COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214762,6.73
+COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214552,7.21
+COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214694,7.96
+COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214952,6.82
+COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215151,7.75
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2,CHEMBL217143,7.31
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2,CHEMBL383938,7.72
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL215857,6.4
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218079,6.24
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL439346,7.07
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL217469,7.8
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1,CHEMBL436955,6.37
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1,CHEMBL215188,6.05
+COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214986,7.14
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL222896,7.76
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1,CHEMBL220221,7.76
+Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL220717,7.08
+COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1,CHEMBL220515,8.35
+Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C,CHEMBL219719,6.22
+O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL219718,4.72
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL223289,7.04
+COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL386005,7.97
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1,CHEMBL220781,8.05
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390129,6.83
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL390473,5.83
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228659,6.52
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228658,6.19
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC,CHEMBL228608,6.16
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL228607,6.17
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC,CHEMBL387833,6.54
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL228606,5.36
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC,CHEMBL538397,6.425
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL228554,6.52
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1,CHEMBL387832,7.12
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228553,6.45
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1,CHEMBL228496,6.58
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228494,6.1
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228445,6.74
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL390192,6.15
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1,CHEMBL442059,6.67
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL228390,7.04
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2,CHEMBL439197,7.04
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228389,6.43
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL228334,6.91
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL228333,6.47
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2,CHEMBL389104,6.56
+O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228332,6.47
+O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL228280,6.97
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL228279,6.52
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1,CHEMBL388897,7.09
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL228278,6.88
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC,CHEMBL229085,6.85
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL229084,5.86
+CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,CHEMBL390184,6.33
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL388361,6.83
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL8618,9.02
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1,CHEMBL243229,7.65
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1,CHEMBL243228,7.35
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1,CHEMBL243864,7.82
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1,CHEMBL243692,5.97
+CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1,CHEMBL243690,5.39
+COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242934,9.31
+COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242725,8.23
+COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL389978,8.5
+COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242724,9.62
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242723,8.86
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1,CHEMBL242508,9.06
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL242507,9.06
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL388884,9.51
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL233790,6.55
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1,CHEMBL232609,6.9
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL391017,6.57
+COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL232607,6.77
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL391016,6.72
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1,CHEMBL234854,6.4
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234650,6.7
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1,CHEMBL234649,7.09
+O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F,CHEMBL234476,6.02
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1,CHEMBL234474,6.22
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC,CHEMBL233584,6.44
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,CHEMBL394139,5.73
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL391530,6.96
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233582,6.61
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,CHEMBL233410,7.0
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL393105,6.46
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,CHEMBL233407,6.92
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL393104,6.22
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL391035,6.75
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234609,6.71
+Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl,CHEMBL234423,6.78
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234422,6.76
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429623,7.07
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234232,6.59
+COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234231,6.33
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL429076,6.88
+COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233849,7.38
+COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL234607,6.6
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL392066,6.15
+COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233814,6.79
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL233623,6.66
+COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL393725,6.79
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL234194,6.37
+COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,CHEMBL236832,6.82
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC,CHEMBL236621,6.9
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL392377,5.9
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,CHEMBL236830,6.76
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236618,6.41
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1,CHEMBL236617,6.71
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL428197,6.52
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL234874,6.82
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233416,6.48
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL233592,6.65
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232780,6.26
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1,CHEMBL232779,6.97
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232593,6.63
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1,CHEMBL232592,6.7
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL234681,6.41
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1,CHEMBL399195,6.99
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234680,7.51
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1,CHEMBL234679,6.66
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL234669,6.31
+CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1,CHEMBL391107,6.95
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL238402,7.41
+COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC,CHEMBL438673,7.07
+CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL238401,6.96
+CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1,CHEMBL429453,6.49
+COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL271913,6.885
+COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1,CHEMBL256853,6.495
+COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1,CHEMBL272340,6.81
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.2
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,6.25
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,5.84
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,7.33
+COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493697,6.6
+COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL493486,7.455
+c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL493285,7.1
+COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493284,6.9
+COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL493283,7.13
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL495289,6.85
+COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL452437,6.57
+COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL493041,6.52
+COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1,CHEMBL521665,6.58
+COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1,CHEMBL494908,6.55
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,6.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,6.7
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.49
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,6.3
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.26
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL564481,9.38
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL558890,8.85
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL549764,7.65
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC,CHEMBL561851,9.03
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,4.69
+NC[C@H](O)c1ccc(O)c(O)c1F,CHEMBL295072,5.4
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,5.92
+O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,CHEMBL1085672,6.5
+c1ccc(N2CCN(CC3CCCCN3)C2)cc1,CHEMBL1084132,6.6
+Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1084658,6.62
+COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1088072,7.38
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1077168,7.23
+COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1087942,7.12
+COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC,CHEMBL1079066,6.76
+COc1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1OC,CHEMBL1079065,6.86
+COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1,CHEMBL1078954,6.35
+CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078953,7.27
+CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1,CHEMBL1078773,7.7
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL1083182,7.0
+COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1,CHEMBL1086156,6.93
+C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,CHEMBL1222552,8.5
+COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1242352,8.17
+COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242444,6.76
+COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242445,7.15
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242541,6.89
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242542,7.29
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242632,7.14
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242633,7.74
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242724,7.07
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242725,6.65
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242818,7.33
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1,CHEMBL1242819,6.88
+COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1242912,8.03
+COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1,CHEMBL1241557,8.0
+Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O,CHEMBL1241328,6.12
+O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1,CHEMBL1242923,6.04
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950,7.19
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,7.72
+COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254582,9.3
+COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254659,8.16
+COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254660,7.8
+CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254742,9.1
+COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254743,8.3
+COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254828,8.1
+COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254829,8.3
+CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254914,7.9
+COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1254915,7.7
+Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255002,7.1
+Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255003,7.0
+Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1,CHEMBL1255085,7.0
+c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1,CHEMBL1255086,7.0
+C[C@]12C[C@@]1(c1cnc[nH]1)Cc1ccccc12,CHEMBL1255771,7.4
+CC1(C)[C@@H]2c3ccccc3C[C@@]21c1cnc[nH]1,CHEMBL1255770,6.75
+CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255724,8.45
+CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1255723,7.78
+C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1,CHEMBL1256378,7.48
+CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1255616,8.05
+CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256610,7.39
+C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256609,8.21
+CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256608,6.5
+CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256566,7.94
+CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1,CHEMBL1256565,7.4
+CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1cnc[nH]1,CHEMBL1256502,6.04
+CCC1(c2cnc[nH]2)Cc2ccc(F)cc2C1,CHEMBL1255582,5.68
+CCC1(c2cnc[nH]2)Cc2ccccc2C1,CHEMBL353972,5.71
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.37
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,5.04
+COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O,CHEMBL1630942,7.5
+COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O,CHEMBL1630941,7.17
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O,CHEMBL1630940,8.26
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O,CHEMBL1630939,8.68
+COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O,CHEMBL1630938,8.72
+CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12,CHEMBL1767153,6.0
+Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767148,6.3
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O,CHEMBL1767146,6.2
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O,CHEMBL1767145,6.4
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O,CHEMBL1767138,6.4
+CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767135,6.5
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O,CHEMBL1767149,6.5
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767162,6.5
+CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767157,6.5
+CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767134,6.7
+CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O,CHEMBL1767152,6.7
+CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767158,6.8
+COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767137,6.8
+O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767166,6.9
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767159,6.9
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767161,7.0
+CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,CHEMBL1767155,7.1
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O,CHEMBL1767140,7.1
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767160,7.1
+CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL639,7.3
+COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1,CHEMBL1767165,7.3
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767168,7.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767167,7.3
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767164,7.5
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1765111,7.5
+Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767141,7.8
+CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767154,7.7
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767136,7.95
+CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL1767156,8.2
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,7.6
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,6.73
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796028,5.13
+O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796029,5.65
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796030,6.95
+O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796031,6.95
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796032,6.48
+O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796034,7.52
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796035,6.97
+COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1,CHEMBL1796036,7.01
+COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796037,6.95
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796038,5.0
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796039,6.9
+O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1796040,6.87
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CHEMBL1796041,6.61
+COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796042,6.89
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1,CHEMBL1796043,6.68
+COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796044,6.89
+COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796045,6.71
+COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1,CHEMBL1796047,6.82
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796048,5.3
+COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1,CHEMBL1796049,6.63
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,6.75
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,6.96
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.42
+COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946777,8.17
+c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1946778,6.91
+COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1,CHEMBL1946779,7.4
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1,CHEMBL1946780,8.05
+COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1,CHEMBL1946783,6.85
+O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1,CHEMBL1946785,6.54
+COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O,CHEMBL1946786,7.13
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1,CHEMBL1946787,6.78
+COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1,CHEMBL1946788,6.61
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146806,8.1
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146801,8.0
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146484,6.8
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146807,7.0
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146808,6.5
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146809,7.3
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146810,7.7
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146811,7.4
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O,CHEMBL2146812,6.6
+O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL2146813,7.4
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146802,7.8
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146803,7.9
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O,CHEMBL2146804,6.9
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146805,7.6
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1,CHEMBL2153551,7.51
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1,CHEMBL2153552,6.4
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1,CHEMBL2153553,8.56
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1,CHEMBL2153554,7.1
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1,CHEMBL2153555,8.66
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1,CHEMBL2153556,7.47
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1,CHEMBL2153557,8.62
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1,CHEMBL2153558,6.99
+COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1,CHEMBL2153559,6.35
+COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1,CHEMBL2153560,6.19
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,6.53
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,5.98
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.42
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,6.02
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.46
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.56
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.27
+COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261608,8.86
+COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1,CHEMBL2261607,9.06
+COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261606,9.06
+COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261605,9.51
+COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312227,7.25
+c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312537,6.92
+c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL2312538,6.77
+COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312225,6.49
+COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312536,6.38
+COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2312226,5.78
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.57
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2,CHEMBL3217244,6.43
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2,CHEMBL3216590,7.45
+COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419766,5.72
+COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419765,6.31
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2,CHEMBL2419772,6.79
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2,CHEMBL2419771,7.66
+COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419770,6.9
+COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419769,7.54
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.46
+c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432045,5.21
+CN(CC1CCCCC1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432063,8.03
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,5.65
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.49
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,6.0
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,8.0
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,7.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,7.0
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,8.0
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,7.51
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12,CHEMBL3233411,6.53
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233412,7.18
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,6.98
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298745,8.0
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298746,7.55
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298747,7.47
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298748,7.44
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298749,8.57
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298750,9.08
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3297829,8.72
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298017,8.19
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298018,8.13
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1,CHEMBL3298019,8.78
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1,CHEMBL3298020,7.41
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298021,7.52
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298022,7.72
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1,CHEMBL3298023,8.19
+COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1,CHEMBL3298024,8.12
+c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL3343975,7.55
+Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343976,7.72
+Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343977,7.32
+COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343978,7.3
+Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12,CHEMBL3343979,7.4
+COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL532818,6.49
+c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1,CHEMBL533979,6.83
+Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1,CHEMBL3343980,6.82
+COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1,CHEMBL3343981,6.83
+Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1,CHEMBL3343982,7.29
+COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1,CHEMBL3343983,7.46
+COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12,CHEMBL3343984,6.81
+COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1,CHEMBL2234448,6.9
+COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1,CHEMBL3342852,6.85
+COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1,CHEMBL3341769,6.49
+COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1,CHEMBL3342853,7.78
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)CC3)O2)CC1,CHEMBL3342854,6.32
+COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1,CHEMBL3342855,6.54
+COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1,CHEMBL3342856,7.37
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1,CHEMBL3342857,6.81
+COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1,CHEMBL3342858,6.0
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342859,7.17
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342860,7.2
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1,CHEMBL3342861,6.8
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1,CHEMBL3342862,6.96
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1,CHEMBL3342863,6.8
+COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1,CHEMBL3342864,6.0
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1,CHEMBL3342865,6.0
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1,CHEMBL3342866,7.07
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1,CHEMBL3342867,8.08
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1,CHEMBL3342868,7.16
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1,CHEMBL3342869,6.83
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1,CHEMBL3342870,6.96
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1,CHEMBL3342871,7.16
+COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1,CHEMBL3342872,7.07
+COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1,CHEMBL3342873,6.44
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1,CHEMBL3342874,7.09
+CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2,CHEMBL3342875,6.62
+COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1,CHEMBL3342876,6.89
+CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582272,7.52
+COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC,CHEMBL3582271,8.14
+CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1,CHEMBL3582270,10.0
+c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739897,7.1
+c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3739932,6.94
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.7
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,5.75
+C=CCN(CC=C)CCc1c[nH]c2ccccc12,CHEMBL3752576,5.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,6.1
diff --git a/chembl_200/CHEMBL2326.csv b/chembl_200/CHEMBL2326.csv
new file mode 100644
index 0000000000000000000000000000000000000000..71472e67b878626664330816307cffb0c5161c02
--- /dev/null
+++ b/chembl_200/CHEMBL2326.csv
@@ -0,0 +1,449 @@
+Cc1ccc(S(N)(=O)=O)cc1,CHEMBL574,7.06
+NCc1ccc(S(N)(=O)=O)cc1,CHEMBL419,7.12
+NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL7087,7.1
+Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL6853,7.12
+Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL7092,6.92
+Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL6724,7.21
+Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL268177,6.82
+Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL418,7.0
+Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL266240,6.68
+Nc1nnc(S(N)(=O)=O)s1,CHEMBL265674,8.28
+Cn1nc(S(N)(=O)=O)sc1=N,CHEMBL6753,8.37
+Nc1ccc(S(=O)(=O)NC2NN=C(S(N)(=O)=O)S2)cc1,CHEMBL427312,8.15
+Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL266026,8.25
+Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL7146,8.19
+Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL6633,8.17
+NS(=O)(=O)c1nc2ccccc2s1,CHEMBL168552,8.4
+NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1,CHEMBL360356,8.27
+NS(=O)(=O)c1ccc(CO)cc1,CHEMBL6919,7.22
+NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL6784,7.18
+NS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL414,7.28
+NNc1ccccc1S(N)(=O)=O,CHEMBL176495,7.17
+CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL19,8.68
+CCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL18,9.101
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL218490,8.46
+CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL220491,8.55
+CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL220492,9.051
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,9.35
+Nc1ccccc1S(N)(=O)=O,CHEMBL6705,7.35
+Nc1ccc(S(N)(=O)=O)cc1,CHEMBL21,7.15
+NNc1ccc(S(N)(=O)=O)cc1,CHEMBL7204,7.05
+O=[As](O)(O)c1ccccc1,CHEMBL364571,4.9
+OB(O)c1ccccc1,CHEMBL21485,5.08
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,7.46
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395981,7.6
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)NCc5ccc(S(N)(=O)=O)cc5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395734,7.64
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL233019,8.0
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4Cl)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232816,7.74
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(S(N)(=O)=O)c4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232617,7.1
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232616,7.39
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL390035,7.62
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,8.1
+NS(=O)(=O)Cc1noc2ccccc12,CHEMBL750,6.93
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,7.05
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,6.29
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,9.64
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,8.55
+Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,CHEMBL878,8.68
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,5.04
+O=C(O)c1ccccc1O,CHEMBL424,4.09
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,7.64
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,7.72
+NS(=O)(=O)c1ccc2c(c1)CCC2,CHEMBL364869,8.29
+NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL457996,8.8
+NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL186263,8.1
+CC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL184674,8.0
+CC(=O)NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL454461,8.15
+CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL359768,8.77
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,8.03
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,8.77
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,9.11
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,8.09
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,CHEMBL184361,8.17
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,8.72
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)cc(F)c1F)C2,CHEMBL186963,8.43
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,8.41
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,8.35
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,8.19
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,8.72
+CCCCCCCCCC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL456889,8.82
+COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL500454,8.57
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2,CHEMBL364127,8.82
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,7.14
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.96
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,7.0
+CCCCCCCCOS(N)(=O)=O,CHEMBL24261,7.12
+CCCCCCCCCCOS(N)(=O)=O,CHEMBL153094,7.05
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,7.1
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,7.03
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,5.35
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,5.05
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,5.05
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,4.77
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,5.01
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,4.84
+COC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL567896,5.49
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,5.43
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,4.49
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,4.5
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,4.3
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,7.49
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.21
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,4.52
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,4.35
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,4.82
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,5.39
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,5.15
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,5.11
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.62
+O=c1ccc2ccccc2o1,CHEMBL6466,5.48
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.11
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.22
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.13
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.19
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.28
+O=C(O)c1ccc(O)cc1,CHEMBL441343,5.39
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.32
+O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CHEMBL6246,5.13
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,7.08
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,8.54
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209038,7.46
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,7.32
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,5.66
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,6.14
+NCCCCCCN,CHEMBL303004,6.36
+NCCCCCN,CHEMBL119296,6.38
+NCCNCCN,CHEMBL303429,4.92
+NCCNc1cccc2ccccc12,CHEMBL1214195,6.44
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,7.0
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,5.96
+CC(=O)NCCNc1cccc2ccccc12,CHEMBL1214323,5.91
+NCCNCCNCCN,CHEMBL609,4.35
+NCCCNCCCCNCCCN,CHEMBL23194,6.15
+NCCCCNCCCN,CHEMBL19612,5.91
+NCCNCCCNCCN,CHEMBL1214193,4.24
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,5.36
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.37
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,5.03
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,6.35
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,5.33
+COc1cc2c(cc1OC)CN(S(N)(=O)=O)CC2,CHEMBL1089044,8.27
+COc1cc2c(cc1OC)C(C)N(S(N)(=O)=O)CC2,CHEMBL1089045,8.19
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1,CHEMBL582841,8.21
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1,CHEMBL573381,8.07
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1,CHEMBL574245,8.1
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1,CHEMBL582965,8.11
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1,CHEMBL574021,8.28
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1,CHEMBL583971,8.16
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1,CHEMBL575660,8.27
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1,CHEMBL573859,8.26
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,CHEMBL574783,8.17
+NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1,CHEMBL574780,8.16
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1,CHEMBL583171,8.12
+NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1,CHEMBL574779,8.15
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1,CHEMBL584387,8.14
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1,CHEMBL573335,8.16
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1,CHEMBL574246,8.15
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL573127,8.21
+CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23285,5.14
+CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083756,6.06
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1085092,5.08
+CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085095,6.22
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1084064,6.24
+CCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1083382,7.28
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)CC,CHEMBL1084702,5.29
+CCC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083684,7.19
+CCC(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085033,7.27
+CCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085034,8.3
+CCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL73460,7.15
+CCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085467,7.19
+CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1084856,7.31
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1085093,6.25
+CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085094,7.21
+CCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1084063,7.22
+CCC(C)C(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083381,7.27
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1083383,8.19
+CC(C)(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1084951,8.24
+CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1082898,7.29
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL191045,8.03
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,8.08
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,7.22
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,7.92
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,7.46
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,7.04
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,6.38
+OC(=S)c1ccccc1,CHEMBL1955873,5.24
+[O-][n+]1ccccc1S,CHEMBL1356238,5.11
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,5.33
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,6.08
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,6.57
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.1
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.17
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.05
+COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2048917,8.24
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2,CHEMBL2048918,7.13
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)NCC2,CHEMBL2048919,8.34
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)N(S(N)(=O)=O)CC2,CHEMBL2048920,8.15
+COc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048921,7.21
+CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048922,8.32
+CCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048923,8.23
+NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1,CHEMBL2048924,7.86
+COc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048925,7.99
+CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048926,8.19
+CCCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048927,8.1
+NS(=O)(=O)c1ccc(C2=NCCc3cc(O)ccc32)cc1,CHEMBL2048928,7.27
+COc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048929,8.24
+CCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048930,8.24
+CCCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048931,8.09
+NS(=O)(=O)c1ccc(C2NCCc3cc(O)ccc32)cc1,CHEMBL2048932,7.46
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048933,7.63
+CCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048934,7.75
+CCCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048935,8.1
+NS(=O)(=O)c1ccc(C2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1,CHEMBL2048936,7.29
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,5.41
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,6.04
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,6.06
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,6.2
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,6.22
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,6.22
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.19
+Nc1cccc(O)c1,CHEMBL269755,5.23
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,5.17
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,5.49
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.15
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,5.43
+COc1ccc(OC)cc1,CHEMBL1668604,5.41
+COc1ccccc1OC,CHEMBL1668603,5.14
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.16
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.07
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.09
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.05
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.05
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.11
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,5.14
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.04
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.12
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.09
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,5.1
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.1
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.12
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.15
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.18
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.08
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.08
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,5.08
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,4.17
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.27
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.09
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.07
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,4.14
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,6.03
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.06
+COC(=O)c1ccc(O)cc1,CHEMBL325372,6.11
+COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(OS(=O)(=O)O)c(OC)cc2-3)cc1O,CHEMBL2334357,4.11
+COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O,CHEMBL2334356,4.23
+COc1cc2oc(=O)ccc2cc1O,CHEMBL390320,4.62
+COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)cc1O,CHEMBL2334355,4.84
+COc1c2c(c(OC)c3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL2334350,5.03
+COc1cc2ccc(=O)oc2c(OC)c1OC,CHEMBL253551,5.03
+CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,CHEMBL303846,5.04
+COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL225024,5.04
+CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL1995684,5.04
+COc1c2c(c3ccc(=O)oc3c1/C=C/C(C)(C)O)OC(C)(C)C=C2,CHEMBL258230,5.05
+CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O,CHEMBL7121,5.05
+COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C,CHEMBL1098016,5.05
+COc1cc2ccc(=O)oc2cc1O,CHEMBL71851,5.06
+COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34,CHEMBL2334354,5.07
+COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2,CHEMBL479462,5.09
+C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL56918,5.11
+COc1cc(OC)c2ccc(=O)oc2c1OC,CHEMBL596221,5.15
+C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO,CHEMBL2334353,5.16
+COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL501358,5.2
+COc1cc2ccc(=O)oc2c(O)c1OC,CHEMBL2334351,5.25
+COc1c(O)ccc2ccc(=O)oc12,CHEMBL2331585,5.34
+COc1cc2ccc(=O)oc2c(O)c1O,CHEMBL54909,5.36
+COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,CHEMBL293864,5.41
+C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O,CHEMBL2003049,5.43
+C=C(C)/C=C/c1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2,CHEMBL2334004,6.19
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.03
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.05
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.07
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.31
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.24
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.15
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.2
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.02
+NNc1c(F)c(F)c(S(N)(=O)=O)c(F)c1F,CHEMBL2333414,6.33
+COC(=O)CCNS(=O)(=O)Oc1ccccc1O,CHEMBL466083,4.16
+O=S(=O)(N1CCOCC1)N1CCOCC1,CHEMBL388326,6.33
+O=S(=O)(NC1CCCCC1)NC1CCCCC1,CHEMBL388325,6.49
+O=S(=O)(NC1CC1)NC1CC1,CHEMBL229189,6.8
+CCCCNS(=O)(=O)NCCCC,CHEMBL229137,6.39
+O=S(=O)(NCc1ccccc1)NCc1ccccc1,CHEMBL229190,6.42
+CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL375030,6.49
+CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1,CHEMBL229904,6.77
+NS(=O)(=O)NCc1ccccc1,CHEMBL168526,6.52
+CCCC(CCC)COS(N)(=O)=O,CHEMBL2335233,5.37
+CCCCCCOS(N)(=O)=O,CHEMBL2335232,6.15
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,4.6
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL77517,6.91
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Br)c1,CHEMBL2414443,8.66
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1,CHEMBL2414442,8.33
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(F)c1,CHEMBL2414441,8.89
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,CHEMBL2414440,7.33
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1,CHEMBL2414439,8.46
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377796,8.51
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2414438,8.46
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377770,8.68
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL2419991,7.34
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419990,6.85
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4Cl)C4=C3CCCC4=O)cc2)cc1,CHEMBL2419989,7.66
+N#Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL2419988,7.85
+COc1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1O,CHEMBL2419987,8.3
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL2419986,6.43
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419985,6.65
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419984,6.48
+CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419983,6.3
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419982,6.9
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1,CHEMBL2419981,6.82
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL2419980,6.58
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL2419979,6.43
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL2419978,6.61
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL2419977,7.39
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL2419976,6.7
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL2419994,7.19
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL2419993,7.26
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL2419992,8.4
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,7.74
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Br)c1,CHEMBL2424829,7.17
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Cl)c1,CHEMBL2424828,7.14
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(F)c1,CHEMBL2424827,7.08
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O,CHEMBL2424826,6.76
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1,CHEMBL2424825,7.1
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424832,7.11
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424831,7.23
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424830,7.27
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,7.35
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,8.08
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,8.19
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,8.17
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,8.07
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,7.66
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,8.21
+CN1CNc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,CHEMBL3098846,5.3
+NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1,CHEMBL379206,7.34
+NS(=O)(=O)Oc1ccc2c(c1)OC(=O)C1CCCCCC21,CHEMBL3098847,7.64
+NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,CHEMBL3098848,7.4
+NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1,CHEMBL3098849,7.2
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,7.52
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,6.87
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,8.19
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,8.0
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,7.3
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,7.62
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,6.6
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,7.54
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,7.66
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,7.75
+CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402958,8.02
+CCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402959,8.0
+CCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL1338403,8.01
+C=CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402960,8.0
+C#CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402961,8.02
+NS(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL3402962,8.08
+NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1,CHEMBL3402963,8.01
+NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL3402964,8.05
+NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1,CHEMBL3402965,8.05
+NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3402966,9.05
+NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1,CHEMBL3402967,8.03
+NS(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1,CHEMBL3402968,7.01
+NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1,CHEMBL3402969,7.15
+NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1,CHEMBL3402970,7.06
+NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1,CHEMBL3402971,8.11
+NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1,CHEMBL3402972,7.13
+C#CCN(CC#C)c1ccc(S(N)(=O)=O)cc1,CHEMBL3402973,8.07
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F,CHEMBL3402974,8.08
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1,CHEMBL3613783,8.07
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(O)ccc32)cc1,CHEMBL3613782,8.4
+NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1,CHEMBL3613780,8.04
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1,CHEMBL3613779,8.55
+COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2,CHEMBL3613778,8.51
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1,CHEMBL3613777,6.09
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2,CHEMBL3613776,6.06
+NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1,CHEMBL3613775,8.62
+O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL117,6.77
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,8.33
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,7.61
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL150,7.6
+COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,CHEMBL379064,8.36
+O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,CHEMBL9352,8.37
+O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,CHEMBL8996,8.37
+COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,CHEMBL399121,8.48
+O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CHEMBL337309,6.31
+O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,CHEMBL8145,8.38
+COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CHEMBL131921,6.43
+O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,CHEMBL486386,6.34
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL250450,8.42
+C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL2262641,8.41
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL233930,6.37
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL266564,8.34
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1O,CHEMBL3628129,8.33
+CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O,CHEMBL3628130,7.58
+O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL457077,7.15
+O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL518243,6.57
+O=C(/C=C/c1cc(O)cc2c1[C@H](C(O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL541265,7.45
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,6.14
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,6.09
+COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O,CHEMBL457076,6.2
+COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,CHEMBL481245,6.21
+COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O,CHEMBL3628210,6.28
+O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1,CHEMBL1095574,6.14
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,6.14
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,6.15
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3739554,8.41
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3740241,8.29
+COc1cc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)cc1OC,CHEMBL3740966,8.54
+O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3740937,8.48
+Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)c1,CHEMBL3740404,8.46
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741546,9.34
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3742377,9.46
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741601,9.51
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,CHEMBL3740022,8.37
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+NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL3814487,8.7
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diff --git a/chembl_200/CHEMBL2327.csv b/chembl_200/CHEMBL2327.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4e2ab9f99293d14fa4547fdc15c31ac5da200abd
--- /dev/null
+++ b/chembl_200/CHEMBL2327.csv
@@ -0,0 +1,694 @@
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+CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL56481,8.46
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+CN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1,CHEMBL292415,7.33
+CN(CC(CCN1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1,CHEMBL301437,8.11
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+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O,CHEMBL411905,5.99
+CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL339767,9.04
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+CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O,CHEMBL103939,6.81
+CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O,CHEMBL431641,7.9
+CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(N)=O,CHEMBL103634,7.35
+CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL105060,8.02
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+CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47275,6.56
+C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47179,8.21
+CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47544,8.34
+C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47412,8.62
+CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL33868,8.8
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,CHEMBL47775,9.15
+C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47739,9.22
+CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12,CHEMBL296122,8.04
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1,CHEMBL45362,8.38
+C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL45129,9.1
+CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL295059,7.29
+CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL44722,6.76
+C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C(C)(C)C,CHEMBL295770,9.0
+CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL296857,8.82
+C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL432301,7.48
+CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47713,8.24
+CC(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12,CHEMBL47555,6.09
+CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12,CHEMBL297086,7.73
+CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47408,7.65
+CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,CHEMBL45961,8.92
+CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,CHEMBL346178,7.252000000000001
+CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10284,6.56
+COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL429951,5.53
+CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9960,6.63
+CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12,CHEMBL129683,9.205
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78132,9.15
+CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL75698,8.92
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76093,8.6
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76437,9.1
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+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL306624,8.59
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL80355,9.3
+CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21,CHEMBL430609,8.44
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL75478,8.39
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75422,9.0
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+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL263243,9.3
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+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312612,8.51
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77042,8.77
+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL308983,8.31
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL74956,9.4
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306952,8.82
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78851,8.74
+CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL77023,9.4
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310273,9.1
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76965,9.3
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL311712,8.55
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL307498,9.05
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL307877,8.28
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76529,8.32
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL306124,8.4
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78284,9.7
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL404599,9.1
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75479,8.92
+O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1(=O)=O)c1ccccc1,CHEMBL407769,5.3
+CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1=O,CHEMBL311857,6.1
+O=C(C1=C(c2ccccc2)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1=O)c1ccccc1,CHEMBL308177,6.1
+CC1=C(C(=O)Oc2ccccc2)S(=O)C2C(O1)OC(COCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1,CHEMBL310084,6.4
+CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1,CHEMBL308613,4.9
+CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1,CHEMBL72979,4.9
+CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2S1=O,CHEMBL74882,5.4
+CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2S1,CHEMBL73540,5.4
+CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1=O,CHEMBL308176,6.6
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320548,6.66
+CC(=O)Nc1ccc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL108997,8.89
+CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1,CHEMBL107469,9.05
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL318081,6.57
+O=C(c1cc(Br)cc(Br)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL106572,7.85
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320487,8.47
+COc1cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,CHEMBL316740,6.91
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL110219,8.31
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL107306,7.8
+O=C(c1ccccc1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL106608,8.47
+O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1,CHEMBL110507,6.76
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCNCC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106404,7.7
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL108955,8.96
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL109053,8.08
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL108350,8.52
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106877,8.89
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106300,8.96
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccc(O)cc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320486,8.15
+O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL107407,7.66
+O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1,CHEMBL323741,6.52
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL321270,7.77
+O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL109092,7.85
+COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL319474,7.57
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL108364,7.55
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106816,8.49
+CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10079,6.63
+CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1,CHEMBL275017,6.5
+CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL429615,7.09
+CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL430118,6.84
+CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10224,6.95
+CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113673,6.48
+CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10303,6.67
+CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10334,6.56
+CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10162,6.76
+NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL405129,7.47
+NC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL407749,7.47
+O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL293432,6.91
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL72930,8.15
+O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76334,6.45
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL311387,6.4
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77235,6.77
+CCOCCCNC(=O)CN1CCN(CCC(/C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N/OC)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL76727,6.42
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312295,6.25
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75367,7.62
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77752,6.43
+CCOC(=O)C1CCN(C(=O)CN2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL41068,6.39
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76704,7.51
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310703,7.68
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312539,6.68
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75436,7.89
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312573,7.55
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75018,7.52
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310019,6.7
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC3CCCCC32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77592,6.32
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78065,6.59
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1,CHEMBL77265,6.13
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL305826,6.01
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306052,6.66
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL265499,7.28
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306121,7.48
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(N(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312528,7.02
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(NC(C)=O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306097,7.32
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78070,7.59
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78092,6.89
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78091,6.58
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL74918,7.42
+CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL149326,7.534
+CCc1nc2nc(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL97958,5.16
+CCCc1nc2nc(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL318254,5.63
+CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O,CHEMBL98929,6.26
+Cc1nc2nc(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL327531,4.76
+CC(C)c1nc2nc(N3CCOCC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL98977,5.51
+CC(C)c1nc2nc(NCCCN)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL321137,5.59
+CC(C)c1nc2nc(N3CCC4(CC3)OCCO4)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL329749,5.36
+CC(C)c1nc2nc(N3CCC(=O)CC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL97764,5.23
+CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(C(C)C)nc2n1,CHEMBL97140,5.46
+COC1(OC)CCN(c2nc(Nc3ccc(Cl)cc3)c3[nH]c(C(C)C)nc3n2)CC1,CHEMBL98976,5.46
+CC(C)c1nc2nc(NCc3ccccc3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL318880,5.25
+CC(C)c1nc2nc(N3CCOCC3)nc(Nc3ccc(C(F)(F)F)cc3)c2[nH]1,CHEMBL330220,5.55
+CC(C)c1nc2nc(N3CCC(O)CC3)nc(Nc3ccc(C(F)(F)F)cc3)c2[nH]1,CHEMBL95347,5.75
+CC(C)c1nc2nc(N3CCC(O)(c4ccccc4)CC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL99823,5.65
+CC(C)c1nc2nc(N3CCC(C)(O)CC3)nc(Nc3ccc(Cl)cc3)c2[nH]1,CHEMBL318198,5.68
+CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL339051,7.46
+COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL129321,7.17
+COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@](C)=O)c1,CHEMBL340326,9.47
+CO/N=C(\COCc1ccccn1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL34460,7.37
+CO/N=C(\COCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285476,8.0
+CO/N=C(\COCC1CCCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32533,7.89
+CO/N=C(\COCc1ccc(F)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285929,7.68
+CO/N=C(\COCc1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284269,7.55
+CO/N=C(\COCc1ccc2ccccc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32717,7.92
+CO/N=C(\CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL274557,6.48
+CO/N=C(\COCC12CC3CC(CC(C3)C1)C2)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32201,8.15
+CO/N=C(\COCc1ccc(-c2ccccc2)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33479,7.42
+CO/N=C(\COCc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32700,6.89
+CO/N=C(\CN(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32430,8.1
+CO/N=C(\COCc1ccc2ccc(C(F)(F)F)nc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL34167,7.7
+CO/N=C(\CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL418224,8.4
+CO/N=C(\C(C)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284244,6.8
+CO/N=C(\CNC(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286640,7.27
+CO/N=C(\COCc1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284396,7.74
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33215,8.22
+CO/N=C(\CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285422,8.1
+CO/N=C(\CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33194,6.54
+CO/N=C(\COCc1ccc(C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32173,8.05
+CO/N=C(\CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL287523,7.66
+CO/N=C(\CN(C)C(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285986,7.96
+CO/N=C(\COCc1noc(C(C)(C)C)n1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33106,9.0
+CO/N=C(\COCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286433,6.93
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(-c2cccs2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286646,8.22
+CO/N=C(\COCc1ccc2nonc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL290786,7.77
+CO/N=C(\COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32385,7.82
+CO/N=C(\COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33302,8.1
+CO/N=C(\CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL35891,6.89
+CO/N=C(\C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285475,6.78
+CO/N=C(\COC/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284597,7.7
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(N2CCCC2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33243,8.52
+CO/N=C(\CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33249,8.7
+CO/N=C(\CN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32309,8.05
+CO/N=C(\COCc1ccccc1C)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL417490,6.87
+CO/N=C(\CO/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286589,7.0
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(N(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32124,9.0
+CO/N=C(\COCc1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32215,7.4
+CO/N=C(\COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33198,7.6
+CO/N=C(\CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32273,8.4
+CO/N=C(\COCc1cccc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32477,7.85
+CO/N=C(\COC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32431,7.46
+CO/N=C(\CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32197,8.7
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32163,8.4
+CO/N=C(\COCc1ccc(C(C)(C)C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284145,8.4
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+O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,CHEMBL389511,9.8
+O=C1C[C@@H](NC2CCS(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,CHEMBL224081,10.6
+O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,CHEMBL389510,10.0
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(F)cc2s1,CHEMBL395971,9.63
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Br)cc2s1,CHEMBL244362,10.24
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1,CHEMBL395972,10.22
+COc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,CHEMBL395973,9.85
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,CHEMBL266125,10.12
+N#Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,CHEMBL266108,8.86
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,CHEMBL395974,10.01
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1,CHEMBL242631,9.19
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Cl)cc2s1,CHEMBL243711,10.28
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1sc2ccccc2c1Cl,CHEMBL394543,7.52
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cccc(Cl)c2s1,CHEMBL395975,9.43
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccc(Cl)cc2s1,CHEMBL244566,9.55
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1,CHEMBL244364,8.82
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2c(Cl)cccc2s1,CHEMBL244363,8.54
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL389744,9.07
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL243498,9.26
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL243497,8.71
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL243496,9.65
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL220365,8.71
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL394607,8.93
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL242619,9.05
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL242626,9.93
+CN1CCN(C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1,CHEMBL242625,8.97
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL394350,9.12
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL242624,8.33
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CCO)CCO)CCCC1)c1cc2ccccc2s1,CHEMBL244766,8.31
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC(CO)CO)CCCC1)c1cc2ccccc2s1,CHEMBL437164,8.07
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCNC2CCOCC2)CCCC1)c1cc2ccccc2s1,CHEMBL243278,8.42
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL231173,8.69
+NS(=O)(=O)N1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1,CHEMBL394780,9.88
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(O)CC2)CCCC1)c1cc2ccccc2s1,CHEMBL428217,8.5
+C[C@H]1CN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)C[C@@H](C)N1,CHEMBL2113292,9.09
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCSCC2)CCCC1)c1cc2ccccc2s1,CHEMBL389355,9.37
+O=C(/C=C/c1ccccc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1,CHEMBL394531,8.03
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)s1,CHEMBL230424,9.12
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL230324,8.8
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1,CHEMBL230326,7.59
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ccccc2c1,CHEMBL397264,8.67
+Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21,CHEMBL230426,8.62
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2[nH]1,CHEMBL397263,8.64
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2o1,CHEMBL389525,8.31
+O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCCC1,CHEMBL231261,7.96
+O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(I)cc2)CCCC1,CHEMBL243933,7.55
+Cc1cc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)ccc1Br,CHEMBL395774,8.42
+O=C(Nc1ccc(F)c(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1,CHEMBL243726,7.14
+O=C(Nc1ccc(I)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1,CHEMBL243725,8.04
+CSc1ccc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc1,CHEMBL243503,8.38
+O=C(Nc1ccc(Br)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1,CHEMBL243502,7.9
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(I)cc1,CHEMBL243280,7.83
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1,CHEMBL397704,7.04
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cccc(Cl)c1,CHEMBL428394,6.91
+CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1,CHEMBL390174,7.97
+CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1,CHEMBL243071,7.61
+CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(=O)c1cc2ccccc2s1,CHEMBL243069,6.0
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC=CC1)c1cc2ccccc2s1,CHEMBL397702,8.26
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC1)c1cc2ccccc2s1,CHEMBL242848,7.02
+CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1,CHEMBL242847,7.68
+CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O,CHEMBL238181,7.15
+CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1,CHEMBL237048,8.6
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1,CHEMBL398028,8.7
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1,CHEMBL394420,8.9
+CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1,CHEMBL396827,8.8
+CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1,CHEMBL235353,8.7
+CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1,CHEMBL235431,8.4
+CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1,CHEMBL237082,7.0
+CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL394889,9.4
+CC1CCCCN1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL394648,8.1
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL428203,9.1
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL437777,7.6
+CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL237517,7.3
+O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL237516,7.0
+CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(C)C,CHEMBL400209,7.5
+O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL237304,8.4
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL237303,7.7
+O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCCCC2)CCCCC1)c1cc2ccccc2s1,CHEMBL429631,7.2
+CCN(CC)CCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL237081,7.0
+NCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL236874,6.9
+CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL237097,8.9
+CCCCN(CCCC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL397576,8.2
+NCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL428906,7.0
+CCN(CC)CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL236873,7.0
+NCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL236661,6.6
+CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN,CHEMBL236659,7.0
+NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1,CHEMBL3143849,6.4
+NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21,CHEMBL3143848,7.9
+NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1,CHEMBL236890,7.7
+NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1,CHEMBL398982,7.3
+NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)cc1,CHEMBL236458,6.9
+NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL236250,7.9
+NCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL236248,6.4
+CCN(CC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL428905,7.4
+CN(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1,CHEMBL392523,6.5
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CCCCC1)c1cc2ccccc2s1,CHEMBL391710,6.5
+CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O,CHEMBL238392,7.3
+CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O,CHEMBL429452,6.5
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O,CHEMBL391696,5.0
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240,8.51
+C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL447955,8.62
+Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)cc2)cc1,CHEMBL447439,9.5
+CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1,CHEMBL474991,6.48
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O,CHEMBL583102,5.8
+CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL565894,6.96
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567849,6.29
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567198,6.02
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(N)(=O)=O)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084161,9.2
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084158,9.4
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084159,9.3
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083879,10.0
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)c5cccn5C)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083880,9.4
+CC/N=C(\N1CCOCC1)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1,CHEMBL1084164,9.1
+CCS(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1,CHEMBL1084163,9.2
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)C(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084162,9.3
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(S(=O)(=O)N(C)C)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084160,9.5
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C=O)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1084251,8.7
+CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1,CHEMBL1083878,9.5
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5nnn(C)n5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083877,9.5
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cnc[nH]5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083876,9.0
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccoc5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083875,9.8
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccsc5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083874,9.8
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083873,9.8
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083872,9.6
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083871,9.5
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083870,9.8
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccc(F)cc5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083869,9.9
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ncccn5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083868,9.1
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083867,9.2
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083866,9.6
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083865,9.3
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083864,9.2
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083863,9.9
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083862,7.8
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083861,9.3
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083860,9.1
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)CN4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,CHEMBL1083859,8.7
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCN(C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083858,10.1
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CCO)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083857,8.7
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083856,8.9
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083855,9.5
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083854,9.3
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083853,8.7
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CN5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083852,9.0
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083851,9.2
+N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1,CHEMBL1083974,10.1
+Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1,CHEMBL1083850,10.3
+O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1,CHEMBL1083849,9.6
+Cc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1,CHEMBL1083848,9.4
+COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1,CHEMBL1083847,9.2
+O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1,CHEMBL1083846,9.6
+O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1,CHEMBL1084765,9.2
+O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1,CHEMBL1083561,9.5
+O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1083560,9.3
+Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1,CHEMBL1083559,9.2
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1,CHEMBL1683146,9.63
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1Cl,CHEMBL1683147,8.4
+O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1F,CHEMBL1683148,8.49
+CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1,CHEMBL1683149,8.34
+CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1,CHEMBL1683150,7.57
+O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1,CHEMBL1683151,9.49
+O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2cn1,CHEMBL1683152,8.69
+COc1cc2ccccc2cc1C(=O)NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1,CHEMBL1683153,8.08
+COc1c(C(=O)NC2(C(=O)N[C@H](CCCN3CCN(CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc12,CHEMBL1683154,7.35
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682624,7.06
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1,CHEMBL1682680,7.12
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1,CHEMBL1760200,4.92
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760338,5.1
+COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760339,4.72
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1,CHEMBL1760205,5.0
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1,CHEMBL1760206,4.89
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,6.19
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.81
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.0
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.82
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.24
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.19
+O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,CHEMBL283196,5.71
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.31
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.19
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.25
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.7
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,5.86
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.13
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,5.32
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.54
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.38
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.47
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.5
+CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,CHEMBL3545252,6.28
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,5.82
+C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,CHEMBL160,5.86
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.04
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.05
+CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,CHEMBL428647,5.69
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.97
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,5.01
+CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,CHEMBL503,5.03
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.79
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,5.87
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,6.27
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.89
+CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL115,5.77
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,5.24
+CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,CHEMBL553025,6.27
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.91
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.78
+CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,CHEMBL163,6.06
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.65
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.68
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.05
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.88
+COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1,CHEMBL1916635,4.0
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O,CHEMBL2390989,8.3
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O,CHEMBL3360202,5.71
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)Nc1ccc([N+](=O)[O-])c2nonc12)[C@@H](C)O)C(C)C)C(N)=O,CHEMBL3360201,8.23
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)Nc1ccc([N+](=O)[O-])c2nonc12)C(C)C)C(N)=O,CHEMBL3360200,8.08
+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNCC(=O)Nc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O,CHEMBL3360199,8.8
+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O,CHEMBL3360198,8.83
+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O,CHEMBL3360197,8.84
+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)C(CCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O,CHEMBL3360196,8.87
+CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O,CHEMBL2370064,9.81
+C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1,CHEMBL3422009,6.1
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1,CHEMBL3422010,4.9
+CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1,CHEMBL3422015,5.0
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422018,4.9
diff --git a/chembl_200/CHEMBL233.csv b/chembl_200/CHEMBL233.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d763b105694db2a659575bd81c5b1aabc173f9ea
--- /dev/null
+++ b/chembl_200/CHEMBL233.csv
@@ -0,0 +1,2761 @@
+CCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117319,6.03
+CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117183,7.82
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2,CHEMBL114203,7.27
+CCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114123,7.41
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114358,7.57
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324505,6.12
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL115998,6.59
+CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL325052,5.38
+CCCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL116643,6.5
+CCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL113703,8.47
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C,CHEMBL115917,8.38
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326548,6.74
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116738,7.23
+CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326103,7.8
+CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324392,6.11
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL114163,6.8
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117321,6.9
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL117128,5.86
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116354,6.0
+CCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL326571,5.91
+CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117379,8.82
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2,CHEMBL326370,5.76
+CN1CCC23c4c5ccc(O)c4OC2c2nc(N)ncc2CC3(O)C1C5,CHEMBL332947,8.14
+CN1CCC23c4c5ccc(O)c4OC2c2nc(-c4ccccc4)ncc2CC3(O)C1C5,CHEMBL112656,8.13
+Cc1ncc2c(n1)C1Oc3c(O)ccc4c3C13CCN(C)C(C4)C3(O)C2,CHEMBL431074,8.28
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]ncc2CC3(O)C1C5,CHEMBL112035,8.76
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]c(=O)ncc2CC3(O)C1C5,CHEMBL114803,8.43
+O=C1NCN(c2ccccc2F)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL431002,6.4
+O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL77877,8.1
+O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2,CHEMBL1907858,7.9
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL281274,8.215
+O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL77324,7.5
+Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1,CHEMBL75676,7.3
+O=C1NCN(c2cccc(Cl)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL312021,7.7
+O=C1NCN(c2cccc(Br)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL419272,7.9
+Cc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,CHEMBL308522,8.0
+O=C1NCN(c2cccc(F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL78156,8.4
+Cc1cc(C)cc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,CHEMBL78163,7.7
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2,CHEMBL355202,8.4
+COc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,CHEMBL311185,7.4
+O=C1NCN(c2ccc(F)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL306150,7.6
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,CHEMBL326171,9.54
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,CHEMBL324390,7.87
+CC[C@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(O)cc31)[C@@H]2C,CHEMBL422551,8.99
+O=C(Cc1cccc2occc12)NCC12CCCN1CCC2,CHEMBL170603,5.47
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL242756,8.82
+Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1,CHEMBL299713,6.7
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1,CHEMBL301701,8.08
+CN1CC[C@]23c4c5cc6sc(N)nc6c4OC2[C@@H](O)CCC3[C@H]1C5,CHEMBL294168,7.52
+C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL59092,9.49
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48241,8.48
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,9.68
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1,CHEMBL56356,7.32
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL49269,10.21
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL390866,8.15
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL301160,9.659
+CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113671,9.19
+CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113672,9.17
+CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169582,8.32
+CO[C@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169583,8.8
+O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL146756,9.7
+O=C(CCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL405131,9.05
+COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL357334,9.64
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL147511,10.05
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL433697,9.8
+O=C(CCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL346436,9.01
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL56585,9.8
+O=C(CCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL424328,8.74
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL413512,9.85
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL358104,9.03
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1,CHEMBL1161423,9.36
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,CHEMBL25230,6.59
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCC(CO)C1,CHEMBL541804,6.25
+CN(C(=O)Cc1cccc2ccsc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL555100,6.19
+CN(C(=O)Cc1ccc2sccc2c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL536550,6.32
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL544960,6.39
+CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC,CHEMBL556414,5.55
+CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12,CHEMBL542102,5.28
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1,CHEMBL553665,6.12
+O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545654,5.48
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCC[C@H]1N1CCCC1,CHEMBL553010,5.44
+CN(C(=O)Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL558227,6.37
+CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL555649,4.84
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1,CHEMBL540277,6.1
+CN(C(=O)Cc1cccc2[nH]ccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL43104,6.08
+O=C(Cc1cccc2sccc12)NCCN1CCCC1,CHEMBL554205,5.0
+Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)CCCC2,CHEMBL610534,8.24
+O=C(/C=C/c1ccc(Cl)cc1)NC12CCC(=O)C3Oc4cccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610542,9.27
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL362991,6.82
+NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O,CHEMBL8072,5.12
+NCCCC[C@H](C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)C(=O)O,CHEMBL276502,6.0
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC,CHEMBL410260,5.41
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC,CHEMBL428276,5.29
+CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110816,7.64
+CCCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL326875,6.66
+CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL107655,8.32
+CCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323987,7.58
+CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL324644,7.5
+CCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108938,7.39
+CCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL106758,7.87
+CC(C)CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323726,7.32
+CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323398,7.87
+CCCCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL432403,7.25
+O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL109009,7.43
+CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL91683,7.65
+CCCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108024,7.21
+O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108083,7.63
+CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110487,7.51
+CCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110894,7.6
+COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)C3Cc5ccc(O)c6c5[C@@]2(CCN3CC2CC2)[C@H]4O6)cc1,CHEMBL431060,8.33
+O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL111530,7.36
+CCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL321408,7.42
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5,CHEMBL2113380,8.31
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)Cc2ccccc2)C1C5,CHEMBL2113379,7.53
+CCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113377,7.43
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113383,7.12
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCCc2ccccc2)C1C5,CHEMBL2113378,7.99
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)C1C5,CHEMBL2113376,5.98
+CCCCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113372,7.48
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCc2ccccc2)C1C5,CHEMBL2113382,8.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)CCc2ccccc2)C1C5,CHEMBL2113373,8.02
+CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113381,7.29
+CCC(=O)N(CCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,CHEMBL147949,7.64
+CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,CHEMBL147044,8.98
+CCC(=O)N(CCCCCCCCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,CHEMBL147569,6.32
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,8.47
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+CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL320804,5.14
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+CCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106084,5.67
+CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106190,5.33
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+CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL108900,5.4
+CCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106235,5.09
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+CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL106366,5.22
+O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1,CHEMBL291901,7.32
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+O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1,CHEMBL54603,6.92
+O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1,CHEMBL54735,7.33
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+CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1,CHEMBL140979,6.99
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL266609,7.12
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL356210,5.57
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL355931,6.3
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[C@@H]1C(C)(C)C,CHEMBL2371034,6.43
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL358403,7.28
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL217379,7.45
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369408,5.56
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2369407,4.81
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL413729,5.18
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369394,4.71
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2369393,4.82
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)O,CHEMBL269483,7.92
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369366,5.78
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369391,4.9
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2369395,4.79
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369390,5.22
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(N)=O,CHEMBL2369389,5.21
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216640,8.185
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL265813,8.1
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CHEMBL407832,7.62
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CHEMBL63188,7.39
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369370,5.51
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CHEMBL293465,7.42
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccccc2CN1,CHEMBL10872,7.48
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112473,8.42
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C,CHEMBL2112474,7.88
+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,CHEMBL281986,9.49
+CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,CHEMBL31030,9.23
+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL416765,9.59
+CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL31605,9.3
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL384227,5.76
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216696,8.71
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL266538,8.95
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL269377,5.77
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407389,5.24
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405097,5.49
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405190,7.17
+CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1,CHEMBL286411,6.02
+CCN1C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL283301,6.7
+CCN1C(=O)N(C2CCN(C3CCC4CCCCC4C3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL2113273,6.55
+CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL27018,6.15
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL2113262,6.68
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL27539,7.57
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL284217,5.85
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1,CHEMBL280778,5.97
+CCN1C(=O)N(C2CCN(C(C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21,CHEMBL281322,6.4
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL29571,5.91
+CCCC1CCC(N2CCC(N3C(=O)N(CC)[C@@H]4CCCC[C@H]43)CC2)CC1,CHEMBL282376,5.66
+CCN1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL418197,6.57
+CC(C)CCC(C)N1CCC(N2C(=O)N[C@@H]3CCCC[C@H]32)CC1,CHEMBL26909,6.37
+CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1,CHEMBL26681,6.36
+CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL26464,6.04
+CCN1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL282195,6.38
+CCN1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21,CHEMBL29953,6.35
+Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL346879,7.77
+Cc1c(-c2ccccc2)c2c(n1Cc1ccccc1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL348268,7.28
+Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)C4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,CHEMBL356473,7.11
+Oc1ccc2c3c1O[C@H]1c4[nH]cc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL436273,7.68
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL440179,7.4
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL151476,7.31
+N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112373,8.24
+CCCN/C(=N\CC1CC1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610799,7.65
+N=C(NCc1cccc(O)c1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610040,7.85
+N=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610032,7.58
+CCCC/N=C(\NCCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610034,7.74
+N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112374,7.43
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(N)cc1,CHEMBL610038,8.11
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc([N+](=O)[O-])cc1,CHEMBL610033,8.04
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N/C(=N/CC6CC6)NCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610037,7.75
+N=C(NCc1ccc(O)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610036,7.83
+N=C(NCc1ccc(N)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610044,8.1
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(Cl)cc1,CHEMBL610041,8.11
+CCCC/N=C(\NCCCC)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610039,8.1
+N=C(NCc1ccccc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610043,7.98
+CCC/N=C(\NCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610035,8.01
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccccc1,CHEMBL610042,8.45
+N=C(NCc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610045,7.53
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161417,8.8
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161413,9.62
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161415,8.92
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161429,9.43
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161412,8.92
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1,CHEMBL1161419,9.16
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161414,9.77
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161425,9.35
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1,CHEMBL1161427,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161416,9.38
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161430,9.54
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161428,9.19
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1,CHEMBL1161424,9.62
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161422,9.14
+CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C,CHEMBL28198,9.85
+COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O,CHEMBL283432,8.12
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2,CHEMBL26638,7.88
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2,CHEMBL27716,7.91
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2,CHEMBL27699,8.05
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283910,8.23
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2,CHEMBL447779,7.96
+Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL280827,7.5
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,CHEMBL283617,7.78
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2,CHEMBL26999,7.82
+CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,CHEMBL27729,8.59
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2,CHEMBL28172,7.59
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283480,8.14
+C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,CHEMBL283265,8.23
+O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL285377,7.72
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL418020,8.08
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3cc(Cl)ccc3C1)CC2,CHEMBL27093,7.11
+O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1,CHEMBL26483,7.21
+O=C1N(CCO)CN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,CHEMBL26987,8.48
+NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,CHEMBL72885,7.645
+C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL136838,8.49
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL336234,8.33
+Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1,CHEMBL342479,7.89
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1,CHEMBL136612,6.82
+C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138473,8.01
+COc1cccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)c1,CHEMBL138408,7.82
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1,CHEMBL138036,7.96
+C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138778,8.28
+C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138653,8.08
+COC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,CHEMBL423726,6.07
+C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138910,8.21
+C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL140138,7.16
+CNC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,CHEMBL136421,7.15
+C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL136196,8.51
+C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL334700,7.28
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(=O)N(C)C)c1,CHEMBL138448,5.92
+C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL343063,7.8
+COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)c(OC)c1,CHEMBL141261,8.06
+CSc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,CHEMBL336664,8.77
+C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL337341,8.1
+CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)CC(C)(C)C,CHEMBL138930,9.3
+C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138465,7.54
+CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)c1ccccc1,CHEMBL139180,8.3
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL319536,8.748
+CC(=O)Nc1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,CHEMBL138750,7.17
+COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,CHEMBL138842,8.26
+CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL88560,8.8
+O=Cc1cc2ccc(C(=O)N[C@@H]3CC[C@@]4(O)C5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2cc1C=O,CHEMBL555713,9.13
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL420903,8.64
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL122321,8.7
+CC1(C)SC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL331043,6.89
+CC1(C)SC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL122981,6.2
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+O=C(CCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL346885,8.48
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+CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL318859,7.66
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1,CHEMBL330291,6.14
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1,CHEMBL2112346,6.18
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(Cc4ccccc4)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112343,6.81
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112345,6.37
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1,CHEMBL315551,7.06
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(c4ccccc4)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112347,6.87
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112344,6.3
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112341,6.75
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112348,6.76
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1,CHEMBL316086,6.38
+CCCCN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1,CHEMBL2112342,6.56
+CC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL287752,7.185
+COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2C)[C@H]5O4,CHEMBL610524,7.03
+NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370989,5.71
+NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370979,5.48
+NC(=O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL2370980,5.49
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370996,5.35
+C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1,CHEMBL318723,7.1
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,5.89
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)C1C5,CHEMBL98324,5.7
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,6.85
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5,CHEMBL95319,5.1
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)C1C5,CHEMBL319592,5.35
+CS[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL420653,6.54
+CC[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL107737,6.87
+CC1(C)c2cc(O)ccc2C[C@@H](S(C)(=O)=O)[C@H]1N,CHEMBL107442,5.94
+CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL104169,8.96
+C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)C2N,CHEMBL108068,9.1
+CC1(C)c2cc(O)ccc2C[C@@H](S)[C@H]1N,CHEMBL104200,6.79
+CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL421038,7.68
+CC1(C)c2cc(O)ccc2C[C@@H](O)[C@H]1N,CHEMBL107334,6.69
+CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL106432,8.74
+CS(=O)[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL107533,5.84
+CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,CHEMBL290919,7.99
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1,CHEMBL41245,7.07
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(O)cc1)Nc1ccccc1,CHEMBL40548,8.22
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1,CHEMBL289320,6.4
+N#Cc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,CHEMBL289512,7.47
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O,CHEMBL41946,8.17
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccoc1)Nc1ccccc1,CHEMBL40581,7.64
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC,CHEMBL288468,8.57
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1,CHEMBL40825,7.63
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1O)Nc1ccccc1,CHEMBL40409,7.93
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1,CHEMBL41883,6.52
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1,CHEMBL39968,7.42
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1,CHEMBL289137,6.16
+COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1O,CHEMBL285769,7.75
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1F)Nc1ccccc1,CHEMBL40108,7.39
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1,CHEMBL418241,7.46
+COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,CHEMBL41649,7.64
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1,CHEMBL289494,6.41
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1,CHEMBL288205,7.51
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1,CHEMBL40528,7.62
+Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(=O)O,CHEMBL416788,6.02
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1,CHEMBL416431,7.2
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(F)c1)Nc1ccccc1,CHEMBL290463,7.25
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(O)c1)Nc1ccccc1,CHEMBL41736,8.28
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(O)c(O)c1)Nc1ccccc1,CHEMBL287989,7.67
+N#Cc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL38495,7.83
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccn1)Nc1ccccc1,CHEMBL43682,7.51
+CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C,CHEMBL418616,6.76
+COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL40993,8.06
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(C)(C)C,CHEMBL287981,6.86
+N#Cc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1,CHEMBL290240,7.3
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(F)cc1)Nc1ccccc1,CHEMBL41205,7.58
+COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL39272,8.96
+CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL544956,5.85
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL336381,6.21
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL430298,8.24
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL411201,6.87
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,CHEMBL265595,5.28
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL132314,7.6
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL206974,7.7
+O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545182,5.32
+O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@H]21,CHEMBL555990,4.76
+CN(C(=S)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL543780,6.15
+CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3occc23)[C@@H](N2CCCC2)C[C@H]1OC,CHEMBL555835,6.09
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCCC[C@H]1N1CCCC1,CHEMBL538230,6.0
+CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545185,4.69
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCC(CO)C1,CHEMBL543301,5.39
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CC(=O)c2ccccc2)c2ccccc2)cc1,CHEMBL66387,5.02
+CC1CCCC(C)N1C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL2112214,6.24
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(OC)c2)cc1,CHEMBL307327,6.16
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL67846,6.07
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL304989,5.36
+COCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67068,6.53
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,CHEMBL65151,6.2
+C=CCN1CCC(N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL13403,4.94
+C=CCN1[C@H]2CC[C@@H]1CC(N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL67545,5.44
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCC2CCCCC2)c2ccccc2)cc1,CHEMBL67734,6.35
+CCCN(CCC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL292794,6.19
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2ccccc2)cc1,CHEMBL67192,7.65
+CCN(CCO)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67673,6.54
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL302801,7.14
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL63732,6.49
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1,CHEMBL67996,6.14
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,CHEMBL63213,6.47
+O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCCC1,CHEMBL68416,6.56
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL63477,5.64
+CC(C)N(C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)C(C)C,CHEMBL305225,6.99
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,CHEMBL65772,6.38
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(O)cc2)cc1,CHEMBL302121,6.71
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2cccs2)c2ccccc2)cc1,CHEMBL66668,5.89
+O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCOCC1,CHEMBL63948,6.63
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL68113,6.5
+CCCN1C2CCC1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL63571,6.54
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL63597,5.54
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(OC)cc2)cc1,CHEMBL67157,5.82
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL307775,5.01
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL304196,5.3
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,CHEMBL308928,6.35
+C=C(C)CN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL2112215,6.64
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(F)cc2)c2ccccc2)cc1,CHEMBL63400,6.41
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL63750,6.98
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3c2cccn2C)c2ccccc2)cc1,CHEMBL63563,7.23
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL63651,9.59
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(O)c2)cc1,CHEMBL65259,8.6
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(OC)cc2)cc1,CHEMBL67326,7.87
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(OC)c2)cc1,CHEMBL304214,7.24
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccccc1)c1ccc(C(=O)NCC)cc1)C2,CHEMBL68342,7.98
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(OC)cc2)cc1,CHEMBL279638,6.91
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2[nH]cnc2C)c2ccccc2)cc1,CHEMBL306463,7.21
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCO)c2ccccc2)cc1,CHEMBL292332,7.12
+O=C(NC1CC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL307973,9.0
+O=C(NC1CCCCC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL303148,6.14
+C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(OC)c1)C2,CHEMBL303875,7.86
+O=C(Nc1ccccc1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL304466,5.37
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cnc[nH]2)c2ccccc2)cc1,CHEMBL416680,7.0
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)NCC)cc1)C2,CHEMBL302142,7.72
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,CHEMBL67289,9.18
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,CHEMBL66800,7.08
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,CHEMBL63912,6.58
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(O)c2)cc1,CHEMBL433500,7.82
+COCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67144,6.79
+CNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL63309,9.85
+O=C(Nc1nccs1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67428,7.28
+O=C(NCCF)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67735,8.52
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL67894,8.32
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,CHEMBL67088,7.03
+NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL66955,7.4
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(O)c2)cc1,CHEMBL68412,9.18
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL67893,7.37
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL66954,8.15
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccn2)c2ccccc2)cc1,CHEMBL291357,7.77
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2cccc(OC)c2)cc1,CHEMBL64933,7.02
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(O)c2)cc1,CHEMBL419621,9.65
+CCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67615,8.8
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1,CHEMBL63232,8.06
+CC(C)(C)NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67781,6.22
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(OC)c2)cc1,CHEMBL67240,8.69
+C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(O)c1)C2,CHEMBL434018,8.02
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(O)cc2)cc1,CHEMBL67790,8.17
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(O)cc2)cc1,CHEMBL303381,7.66
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(OC)cc2)cc1,CHEMBL67123,8.21
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL68341,6.52
+CCCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL68358,7.66
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL307525,7.13
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(OC)c2)cc1,CHEMBL66741,8.42
+O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1C=O,CHEMBL610541,9.35
+COc1cccc(C2(O)CCCCC2CN(C)C)c1,CHEMBL1237044,5.75
+Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL109659,6.72
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL326235,9.31
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)[C@H]1C5,CHEMBL399708,7.84
+O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)CC12Cc1ccccc1C2,CHEMBL610293,8.835
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL102690,5.44
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407084,8.71
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL412248,6.6
+CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1,CHEMBL356584,5.4
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL414369,6.48
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL263595,6.47
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL438571,6.6
+O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c23)C2Oc3c(O)ccc5c3[C@@]23CCN(CC2CC2)[C@H](C5)[C@]3(O)C4)cc1C=O,CHEMBL609998,7.83
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL109598,6.91
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1,CHEMBL112974,7.72
+OC1(c2cccc(C(F)(F)F)c2)CCN(C2CCC3CCCCC3C2)CC1,CHEMBL111347,7.68
+CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL111192,7.44
+OC1(c2ccc(Cl)cc2)CCN(CC2CCCCCCC2)CC1,CHEMBL320991,6.2
+CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1,CHEMBL111230,8.1
+OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL322515,9.0
+OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL113684,6.95
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL325536,8.4
+CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL109563,7.34
+CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47544,6.04
+C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47412,6.76
+CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL33868,7.8
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,CHEMBL47775,6.71
+C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47739,5.88
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1,CHEMBL45362,6.65
+CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL44722,5.77
+CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL296857,6.92
+CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10188,5.73
+C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL432301,5.75
+CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47713,7.01
+CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47408,6.69
+CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL169552,9.22
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CC[C@@H]1N1CCCC1,CHEMBL538806,6.26
+COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL350943,6.52
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL441765,6.31
+O=C1[C@@H](Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL610046,8.85
+O=C1/C(=C\c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL101519,8.72
+Oc1ccc2c3c1O[C@H]1[C@@H](Nc4ccccc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610550,9.72
+O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL252172,7.93
+Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)Oc1ccccc1O4,CHEMBL610290,8.28
+Oc1ccc2c3c1O[C@H]1[C@H](Nc4ccccc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610292,8.85
+CCOC(=O)C1(c2ccccc2)CCN(C)CC1,CHEMBL1701,6.04
+Cc1ccc(C2(C#N)CCN(C)CC2)cc1,CHEMBL536034,4.39
+CN1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL557576,4.4
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1,CHEMBL539076,5.36
+CCOC(=O)C1(c2ccc(I)cc2)CCN(C)CC1,CHEMBL536264,5.63
+CCOC(=O)C1(c2ccc(C)cc2)CCN(C)CC1,CHEMBL539075,5.57
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1,CHEMBL541124,5.69
+CCOC(=O)C1(c2ccc3ccccc3c2)CCN(C)CC1,CHEMBL536952,5.69
+CCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1,CHEMBL539845,5.83
+COC1[C@H](SC2OC(C(=O)O)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,CHEMBL359534,8.06
+COC1[C@H](SC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,CHEMBL359644,8.27
+COC1[C@H](NC(=O)CC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,CHEMBL362202,8.46
+COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,CHEMBL366917,9.3
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1,CHEMBL320882,7.28
+O=C1C(c2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL184811,6.0
+COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL188553,5.53
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL363324,7.92
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL191014,7.14
+COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL365216,5.17
+COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190910,5.24
+COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190785,7.8
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+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189643,6.32
+CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL190766,5.99
+CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL447185,5.96
+CN(C(=O)Cc1ccccc1CNS(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,CHEMBL364907,6.24
+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL370538,5.97
+CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL363822,5.98
+CN(C(=O)Cc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL191987,6.98
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL38576,7.28
+CN(C(=O)Cc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL190030,5.72
+CN(C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189430,6.11
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL189683,6.36
+CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL362741,5.98
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190600,6.06
+CN(C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL192718,6.5
+CN(C(=O)Cc1cccc(CN)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL192734,5.64
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190353,5.97
+CN(C(=O)Cc1ccc2c(c1)CN(S(C)(=O)=O)C2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL363718,7.13
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL425897,6.82
+CC(=O)NCc1ccccc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1,CHEMBL539685,5.91
+Cc1ccc(S(=O)(=O)NCc2ccc(CC(=O)N(C)[C@H](CN3CC[C@H](O)C3)c3ccccc3)cc2)cc1,CHEMBL192998,6.15
+CN1CCC(C#N)(c2ccc(Cl)cc2)CC1,CHEMBL540360,4.43
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+NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL56695,9.15
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+COc1c(C(N)=O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL195285,7.96
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]2(CCN3CC2CC2)C1,CHEMBL195787,7.77
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+O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL184865,6.53
+O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL184646,5.26
+CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1,CHEMBL184698,6.13
+CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL186773,7.42
+COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL364844,6.74
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1,CHEMBL181545,6.54
+O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL362160,7.89
+O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1,CHEMBL184328,6.18
+O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL184234,7.04
+CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1,CHEMBL184127,6.893
+CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1,CHEMBL184260,6.73
+CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1,CHEMBL184381,7.14
+O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL184451,5.86
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1,CHEMBL186822,7.04
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1,CHEMBL185415,7.6
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1,CHEMBL364398,7.07
+CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1,CHEMBL182967,6.97
+CN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL188841,6.94
+CCCNC1CCc2ccc(O)cc2C1(C)C,CHEMBL185763,6.31
+CCCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL186154,7.07
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+CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365228,6.98
+CC1(C)c2cc(O)ccc2CCC1N(CC1CC1)CC1CC1,CHEMBL188411,6.37
+C=CCNC1CCc2ccc(O)cc2C1(C)C,CHEMBL188805,6.69
+C=CCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL442413,5.97
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+CC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1,CHEMBL189243,7.97
+CN(C/C=C/c1ccccc1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365483,7.4
+CC1(C)c2cc(O)ccc2CCC1N(C/C=C/c1ccccc1)C/C=C/c1ccccc1,CHEMBL435305,6.57
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL187635,7.76
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1,CHEMBL189571,8.79
+CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL186795,9.8
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,9.255
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL421665,9.96
+COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL364625,9.96
+COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL186300,9.64
+COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL186938,9.52
+O=C(O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL187648,6.48
+O=C(O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL184689,5.84
+O=C(O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,CHEMBL187038,6.31
+[O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2cccc(C(F)(F)F)c2)CC1,CHEMBL184496,5.09
+OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL186426,7.43
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL111233,8.6
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL109509,6.98
+Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1,CHEMBL424971,7.24
+Cc1ccc(Cl)c(OCCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL180402,6.39
+CC(C)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl,CHEMBL182995,7.25
+Cc1cc(F)ccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL367367,7.42
+Cc1cc(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)ccc1F,CHEMBL179797,6.99
+Cc1ccc(Cl)c(OC(C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL183603,6.93
+CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL183323,7.35
+CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL182410,7.57
+Cc1ccc(Cl)c(OC(C(C)C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL182144,7.06
+Cc1ccc(Cl)c(OC(C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1,CHEMBL264288,6.99
+Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL178318,6.78
+Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL181342,6.45
+Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,CHEMBL182328,6.89
+Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1,CHEMBL362240,6.32
+Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)N(C)C)CCCCC2)c1,CHEMBL183918,6.99
+Cc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c1,CHEMBL182819,7.78
+Cc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL360326,7.19
+Cc1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL369786,7.68
+CCc1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL181830,7.64
+CC(C)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F,CHEMBL183135,7.62
+CC(C)c1ccccc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL369540,7.7
+Cc1ccc(F)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL361576,7.17
+Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL182202,7.21
+Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL180499,6.71
+Cc1ccc(N)cc1OC(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C,CHEMBL181389,7.33
+Cc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL183355,7.19
+COc1ccc(Cl)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL262104,7.24
+CCC(=O)N(CCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,CHEMBL196071,7.48
+CCC(=O)N(c1ccccc1)C1(C(=O)OCF)CCN(CCc2ccccc2)CC1,CHEMBL200456,9.89
+CCC(=O)N(c1ccccc1)C1(C(=O)OCCF)CCN(CCc2ccccc2)CC1,CHEMBL200392,8.92
+CCC(=O)N(c1ccccc1)C1CCN(CCCCCF)CC1,CHEMBL371268,7.87
+CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCCCF)CC1,CHEMBL371710,9.13
+CC(F)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL197479,8.68
+COCC1(N(C(=O)C(C)F)c2ccccc2)CCN(CCc2cccs2)CC1,CHEMBL196960,9.89
+Cn1c(N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)nc2ccccc21,CHEMBL199434,6.63
+O=S(=O)(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199518,6.01
+COc1cccc(NC(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,CHEMBL200098,5.86
+O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL201453,5.92
+O=C(Nc1ccccc1F)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL371266,5.6
+CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1,CHEMBL200067,6.3
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccn2)CC1,CHEMBL197917,5.85
+COc1cccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)c1,CHEMBL199289,5.49
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2F)CC1,CHEMBL199871,6.37
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL203251,9.8
+O=C(/C=C/C(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201219,7.89
+O=C(CCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201220,8.24
+O=C(CCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL372598,8.48
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+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1,CHEMBL199827,9.36
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+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL383320,9.15
+O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL381750,8.55
+C#CCN1CC[C@]23CCCCC2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCCC2[C@@H](C4)N(CC#C)CC5)cc13,CHEMBL372823,7.85
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+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL49143,8.43
+Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL199832,11.0
+CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1,CHEMBL1400,7.973
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+CCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202327,7.33
+CCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202200,6.42
+CCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202150,6.26
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCC,CHEMBL202139,6.37
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CC,CHEMBL202462,6.39
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1C,CHEMBL202461,6.28
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCCc1ccccc1,CHEMBL201661,7.72
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1,CHEMBL201296,6.15
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1,CHEMBL201295,6.25
+C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL383044,6.64
+C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201434,6.8
+C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL203150,6.54
+C[C@H]1CN(CCc2ccccc2)[C@H](c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201480,6.55
+C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201845,7.23
+CC(=O)NCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL383491,6.72
+C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1,CHEMBL201530,6.11
+CCCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL202352,6.96
+CC(C)[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL425758,6.57
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL382919,7.7
+CC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL371970,7.12
+C[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL203307,7.82
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O,CHEMBL211543,7.7
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O,CHEMBL377392,8.83
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O,CHEMBL208683,9.34
+Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1,CHEMBL2375157,9.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1,CHEMBL501451,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1,CHEMBL458631,9.8
+Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21,CHEMBL212525,6.77
+OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,CHEMBL212630,6.28
+Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,CHEMBL379657,6.05
+c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2,CHEMBL379297,6.41
+c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL378633,5.7
+c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1,CHEMBL377402,6.47
+c1ccc(Oc2ccc(CN3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1,CHEMBL377033,6.48
+Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12,CHEMBL208862,6.59
+Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12,CHEMBL427395,6.37
+CN(C)C[C@@H](O)Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21,CHEMBL379971,6.12
+Fc1ccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1,CHEMBL377237,6.05
+CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21,CHEMBL384681,5.57
+Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1,CHEMBL211722,6.3
+Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL211846,5.97
+Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1,CHEMBL378458,6.3
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1,CHEMBL212575,6.59
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1,CHEMBL212574,5.87
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1,CHEMBL438965,6.06
+Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL210770,6.64
+N#Cc1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN,CHEMBL378453,5.38
+Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1,CHEMBL211723,6.3
+CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1,CHEMBL377904,5.4
+Oc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1,CHEMBL212743,6.0
+CC(C)(C)c1cccc(-c2nncn2-c2cccc(O)c2)c1,CHEMBL377340,6.07
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(C)CC[C@]314,CHEMBL607069,9.22
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610883,9.14
+O=C(/C=C/c1ccccc1Cl)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL611402,9.15
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(C)CC[C@]314,CHEMBL607127,9.31
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(C)CC[C@]314,CHEMBL607017,9.4
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(C)CC[C@]314,CHEMBL607016,9.17
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C5,CHEMBL607068,9.7
+Cc1ccc(/C=C/C(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607018,9.47
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL607125,9.68
+CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5,CHEMBL2113666,9.82
+Cc1ccc(CCC(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607126,9.46
+C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL58646,9.51
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C,CHEMBL214104,8.51
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,CHEMBL60869,8.68
+C[C@H]1C2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215594,8.17
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL212434,8.24
+C[C@@H]1[C@@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL378355,8.19
+C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL210005,9.6
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL377789,9.52
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL1162933,7.96
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215760,7.74
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213291,8.6
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL209550,8.46
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213880,7.57
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293103,6.08
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL373984,9.16
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O,CHEMBL384915,5.96
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387016,7.07
+O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217658,9.07
+O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL448428,9.14
+O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217102,9.02
+O=C1CC[C@@]2(NCC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL383896,9.0
+O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL216558,8.72
+O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217479,8.87
+O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217710,8.73
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387101,8.88
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL277530,8.58
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL215926,8.65
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL411089,8.94
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL384118,8.17
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL263482,8.41
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216365,8.09
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL217790,8.09
+O=C1CC[C@@]2(NC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL385482,9.49
+C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376413,8.96
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373925,7.77
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373707,8.74
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1ccccc1,CHEMBL425112,5.8
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL412996,8.33
+C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218520,8.48
+CC(=O)N1C[C@H]2C[C@@](C)(c3cccc(O)c3)[C@@H](C)CN2C[C@@H]1c1ccccc1,CHEMBL218706,7.03
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219319,8.44
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL426523,9.22
+CC(C)[C@H]1CN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2CN1,CHEMBL219097,6.42
+C[C@H]1CN2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375119,8.57
+C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218980,7.6
+C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL435746,8.05
+C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218506,6.74
+C[C@H]1CN2CCN(C(=O)Nc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219317,7.51
+C[C@H]1CN2CCN(S(=O)(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374324,6.68
+C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374678,6.8
+C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375165,7.44
+C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219495,8.26
+C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376690,8.94
+C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL220248,6.66
+C[C@H]1CN2CCN(C(=O)CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL384336,6.8
+C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218135,7.77
+C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218404,8.7
+CC(=O)N1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,CHEMBL426173,6.28
+COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,CHEMBL219044,7.96
+C[C@H]1CN2CCN(Cc3ccc(N(C)C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219337,6.12
+C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375803,8.0
+C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218909,8.37
+C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218242,8.74
+C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218705,7.77
+C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373641,8.82
+C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219318,9.33
+Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1,CHEMBL217999,7.85
+Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,CHEMBL217998,8.89
+Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,CHEMBL219599,9.01
+C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219554,8.52
+C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373446,8.85
+C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL217950,7.92
+C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374455,8.13
+C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219152,7.82
+C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219099,7.89
+C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219466,7.7
+C[C@H]1CN2CCN(Cc3ccnc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373709,7.06
+C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375633,8.46
+C[C@H]1CN2CCN(Cc3ccc4ccccc4c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218136,7.05
+C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL384895,7.89
+C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219154,7.68
+C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL219012,6.92
+C[C@H]1CN2CCCC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373398,6.03
+C[C@H]1CN2CCCC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219011,6.15
+C[C@H]1[C@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL262420,7.43
+C[C@H]1[C@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385280,7.59
+C[C@H]1[C@@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL438821,9.05
+C[C@H]1[C@@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385392,7.14
+C[C@H]1CN2C[C@@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374559,6.96
+C[C@H]1CN2C[C@@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219079,6.37
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL387248,6.96
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CCc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222814,7.81
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CC2CCCCC2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222579,7.75
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL221421,7.05
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(C)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222704,7.59
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)C1C5,CHEMBL374228,7.6
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222762,8.13
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL385316,7.73
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222647,8.27
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222597,8.6
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222486,8.3
+CCn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL373910,8.06
+Cn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL221419,8.12
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL2113275,9.37
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224014,9.54
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224671,9.34
+COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL389072,6.47
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CCC1)C2,CHEMBL376355,9.43
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL226217,9.92
+CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226167,9.31
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375504,8.41
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226166,8.96
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226114,7.66
+COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375503,6.48
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226113,8.23
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL394624,9.15
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242048,9.92
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242047,8.43
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242046,8.92
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL263096,9.52
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL397035,9.96
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL427862,9.54
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL241824,8.28
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL245049,8.85
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL241823,8.32
+CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230249,5.2
+c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL229018,4.67
+CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229017,5.78
+CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229016,6.42
+COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228965,6.39
+COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL388122,6.07
+COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,CHEMBL228964,6.07
+OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL228913,6.74
+OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL228912,6.83
+OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL228911,6.59
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,CHEMBL389665,5.67
+O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL437742,5.54
+OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228858,6.92
+COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228857,7.55
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,CHEMBL228856,5.61
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL388314,6.77
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,CHEMBL228802,6.75
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL228850,6.1
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,CHEMBL390498,6.7
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL228849,6.22
+CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228848,8.05
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL228795,5.92
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,CHEMBL390280,6.15
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,CHEMBL228794,6.9
+Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL228793,5.43
+Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,CHEMBL390279,6.83
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1,CHEMBL228740,6.39
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1,CHEMBL374603,6.09
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1,CHEMBL374602,5.03
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228690,6.647
+O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228738,5.43
+COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228736,4.22
+CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228687,6.35
+COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228686,6.11
+OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1,CHEMBL397945,7.62
+OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1,CHEMBL231608,6.1
+CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL231607,6.84
+CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL413791,6.9
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230253,7.43
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL390882,7.54
+CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230145,6.47
+CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL433814,5.64
+O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c34)[C@@H]3Oc4c(O)ccc6c4[C@@]34CCN(CC3CC3)[C@H](C6)[C@]4(O)C5)cc2cc1C=O,CHEMBL2113281,6.84
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=C[C@@H](OC)O[C@H]3OC)C[C@]21C,CHEMBL434746,5.48
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=C[C@@H](OC)O[C@@H]3OC)C[C@]21C,CHEMBL226732,5.565
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@H]3CCOC3)C[C@]21C,CHEMBL427280,5.01
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3CCOC3)C[C@]21C,CHEMBL364058,5.14
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3CC(OC)OC3OC)C[C@]21C,CHEMBL2113278,5.32
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@]21C,CHEMBL390935,5.84
+CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232286,6.45
+CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232285,6.45
+CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232076,6.72
+OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232075,6.84
+OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL394222,6.92
+CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232074,6.52
+CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL231866,6.7
+CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL437177,6.79
+CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232478,6.57
+CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232477,6.78
+CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21,CHEMBL233957,6.74
+NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,CHEMBL233535,6.34
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,CHEMBL233956,6.21
+NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,CHEMBL400036,6.21
+NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL233955,7.43
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL233750,6.6
+NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,CHEMBL233749,5.51
+Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,CHEMBL233748,6.3
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL400035,6.72
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL233536,7.14
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL398794,7.14
+Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233327,7.55
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233503,6.9
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL441914,8.7
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233326,8.7
+OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393971,4.94
+Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393356,6.12
+OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233323,5.76
+OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231874,5.34
+OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231664,5.47
+OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231661,4.98
+OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL394695,6.39
+CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234773,5.05
+CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234771,5.44
+CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL397761,6.57
+CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233721,4.88
+OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL398039,4.74
+OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233502,6.73
+N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL233501,5.08
+COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL401234,4.96
+COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL233494,5.52
+COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233493,6.01
+CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393675,4.94
+CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL234543,5.46
+Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393985,6.03
+Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL437380,6.56
+Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232273,7.13
+OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232067,5.98
+OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL392753,6.03
+OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232066,6.11
+OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL395838,6.15
+OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232476,6.23
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL243195,7.66
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL428038,7.92
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL394573,8.49
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL242968,8.85
+O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,CHEMBL390912,8.24
+O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,CHEMBL242967,6.8
+Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,CHEMBL242757,7.4
+Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,CHEMBL390911,6.82
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL299220,8.89
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL2372052,6.45
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL409969,7.13
+O=C1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL2113282,6.4
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL334898,8.51
+C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL397276,9.22
+C[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL414889,8.1
+C=C1[C@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL242226,9.72
+C=C1[C@@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL437949,8.15
+Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243301,7.27
+Oc1cccc([C@]23CCC[C@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL388873,9.72
+Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243300,7.23
+Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243092,7.35
+O=C1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL243091,7.48
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113294,8.77
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccc(C)cc5)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113314,9.32
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccccc5C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113313,9.66
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113312,9.17
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113311,9.41
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113310,7.47
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113309,7.95
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113308,9.72
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113307,9.74
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113306,9.64
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113305,9.6
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113304,9.85
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113303,9.6
+COc1ccc(/C=C/C(=O)NC[C@H]2C[C@@]34CC[C@@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)cc1,CHEMBL2113302,7.89
+COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5,CHEMBL2113301,8.7
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315,CHEMBL2113300,8.53
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113299,9.06
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113298,8.58
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(C)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113297,7.93
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4Cl)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113296,9.2
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4C)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113295,9.13
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232740,5.56
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL401245,7.7
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL235239,8.37
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL392269,7.47
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL238017,7.89
+NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1,CHEMBL238317,9.68
+NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1,CHEMBL238316,8.5
+NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1,CHEMBL236170,7.65
+NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1,CHEMBL236169,7.73
+NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1,CHEMBL236168,7.78
+NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238361,9.897
+NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1,CHEMBL235560,6.19
+O=C(c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1)N1CCCCC1,CHEMBL399814,6.41
+CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238305,7.28
+CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238283,7.24
+CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL396392,7.28
+CNC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238282,6.63
+N=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238280,7.69
+N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1,CHEMBL236393,5.97
+Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1,CHEMBL392828,9.21
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C,CHEMBL237074,7.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O,CHEMBL413703,8.37
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C,CHEMBL236868,7.24
+Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL236663,9.18
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,CHEMBL236662,9.9
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,CHEMBL236462,9.26
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,CHEMBL392057,9.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,CHEMBL236461,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O,CHEMBL236460,6.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O,CHEMBL236253,7.12
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O,CHEMBL437372,8.05
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCN2CCOCC2)C3)nc1,CHEMBL238364,6.67
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1,CHEMBL238363,6.89
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1,CHEMBL238157,7.38
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC(F)(F)F)C3)nc1,CHEMBL439038,7.61
+CCC(CC)CN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL238156,7.38
+CC(C)(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396637,7.74
+CC(C)CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237934,7.92
+CC(C)CCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396636,8.12
+CC(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237718,7.95
+CCCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237716,7.92
+CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237506,7.93
+CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237505,7.68
+NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1,CHEMBL237295,8.3
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)CC3)nc1,CHEMBL237294,7.04
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)CC3)nc1,CHEMBL237293,6.39
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCc2ccccc2)C3)nc1,CHEMBL237073,8.0
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1,CHEMBL398089,6.64
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCCc2ccccc2)C3)nc1,CHEMBL237071,6.73
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)nc1,CHEMBL397148,7.8
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1,CHEMBL235155,6.75
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)C3)nc1,CHEMBL235154,6.18
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)C3)nc1,CHEMBL238362,6.0
+CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O,CHEMBL391631,7.8
+COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1,CHEMBL391650,7.47
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238819,6.97
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238818,6.92
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1,CHEMBL393138,7.0
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1,CHEMBL238600,6.36
+C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238602,6.7
+COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL241157,6.74
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1,CHEMBL241155,7.12
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL399393,6.61
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL240941,6.62
+CCCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240298,6.79
+CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240086,6.57
+CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240085,6.54
+CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240084,7.34
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL241357,7.15
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391422,6.9
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1,CHEMBL391518,7.21
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)O)c4ccccc43)CC2)C(C)C)c1,CHEMBL238796,5.77
+CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL445154,6.91
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)Cc4ccccc4)c4ccccc43)CC2)C(C)C)c1,CHEMBL439035,6.76
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL238795,6.97
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL393960,7.57
+COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL391234,6.57
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL240074,7.64
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL401248,6.99
+COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238637,6.57
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL392548,6.73
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391486,6.86
+CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL239260,6.95
+CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL239045,8.05
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CHEMBL203356,6.3
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21,CHEMBL393980,6.01
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21,CHEMBL241087,7.23
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21,CHEMBL393807,7.31
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2,CHEMBL241086,6.88
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2,CHEMBL241085,6.79
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2,CHEMBL393781,7.95
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2,CHEMBL240005,7.14
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2,CHEMBL239824,6.88
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2,CHEMBL392798,8.29
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21,CHEMBL239822,7.32
+O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2,CHEMBL442090,6.17
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL391703,6.1
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2,CHEMBL239821,5.5
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2,CHEMBL239820,6.25
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2,CHEMBL239819,5.79
+Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL439212,6.46
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2,CHEMBL241080,5.29
+Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241079,5.96
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2,CHEMBL428563,6.11
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2,CHEMBL392969,6.09
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2,CHEMBL241067,6.32
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2,CHEMBL240870,5.61
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL240657,6.31
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2,CHEMBL391083,6.4
+CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL428033,7.52
+CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL391082,7.66
+CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241112,6.61
+CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL240216,6.45
+CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL392893,7.13
+O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL240215,7.535
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2,CHEMBL401451,7.43
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2,CHEMBL240033,6.88
+O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2,CHEMBL240896,6.63
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2,CHEMBL240895,5.75
+O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2,CHEMBL240001,6.05
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,7.72
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL246572,7.0
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL246479,6.19
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL247760,7.72
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL393867,5.96
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL247759,5.92
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL246739,8.01
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL247064,5.92
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL247758,8.01
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)O,CHEMBL246682,6.25
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(=O)O,CHEMBL247363,5.85
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(N)=O,CHEMBL246956,7.74
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL247368,7.92
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)O,CHEMBL391580,7.55
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(I)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL427706,7.18
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Br)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401094,7.15
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Cl)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248840,7.33
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(F)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248839,7.68
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL428055,8.62
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251161,8.38
+C[C@H]1C2Cc3ccc(C(=O)NCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251160,8.6
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL430397,8.72
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399344,9.74
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250388,8.89
+Cc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL250387,9.54
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)c(Cl)c5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250186,9.01
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)cc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL438871,9.7
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL249985,10.08
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4Br)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL398294,8.4
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(Br)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250993,9.46
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(Br)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL249567,8.62
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4-c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399465,8.17
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(-c5ccccc5)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL401278,9.02
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL3085528,9.8
+CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1,CHEMBL449966,5.59
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,CHEMBL272592,5.29
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,CHEMBL272640,5.21
+CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,CHEMBL407846,5.17
+CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,CHEMBL271590,5.27
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,CHEMBL259681,5.8
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,CHEMBL259473,6.61
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,CHEMBL272805,6.67
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,CHEMBL412290,5.73
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,CHEMBL270756,5.19
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,CHEMBL409621,5.87
+CN1Cc2cc(F)ccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL407275,5.46
+CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL272600,5.11
+CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL272390,6.0
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1,CHEMBL272601,6.27
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1,CHEMBL270133,5.68
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1,CHEMBL272852,6.32
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2,CHEMBL412098,7.33
+O=C(Cc1cccs1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL429588,9.42
+O=C(Cc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL443326,9.37
+COc1ccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL270918,9.57
+O=C(Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL411927,9.8
+COc1cccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL273105,9.89
+O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL412050,9.92
+O=C(/C=C/Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL438413,10.22
+O=C(O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272021,8.0
+CN(C)c1cccc(C(=O)NC2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL411916,8.92
+CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL271755,9.04
+COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL410526,9.92
+Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272051,9.37
+COc1cc(OC)cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL271811,9.59
+COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL410884,9.68
+COc1cc(OC)cc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL411738,9.72
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc([N+](=O)[O-])c1,CHEMBL407466,9.72
+COc1cccc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL429929,9.8
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(O)c1,CHEMBL410122,9.89
+O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL409036,9.19
+O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL272181,9.17
+O=C(C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL406116,8.83
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL982,9.147
+C=CCN1C[C@@H]2C(c3ccccc3)=CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL260521,5.17
+C=CCN1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL407728,5.2
+C=CCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL258791,5.14
+CCCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL409266,5.24
+C=CCN1C[C@H]2C(c3ccccc3)=CC[C@@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL260519,6.6
+CNC(=O)Cn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL260767,7.27
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cccn4)c4ccccc43)CC2)C(C)C)c1,CHEMBL428253,6.65
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4)c4ccccc43)CC2)C(C)C)c1,CHEMBL260784,6.92
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnc[nH]4)c4ccccc43)CC2)C(C)C)c1,CHEMBL410257,6.67
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnccn4)c4ccccc43)CC2)C(C)C)c1,CHEMBL259964,7.12
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccnc4)c4ccccc43)CC2)C(C)C)c1,CHEMBL258781,7.32
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccs4)c4ccccc43)CC2)C(C)C)c1,CHEMBL260169,7.35
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c(C)noc4C)c4ccccc43)CC2)C(C)C)c1,CHEMBL259120,7.25
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cc(C)on4)c4ccccc43)CC2)C(C)C)c1,CHEMBL410706,6.84
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncco4)c4ccccc43)CC2)C(C)C)c1,CHEMBL262062,7.08
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cocn4)c4ccccc43)CC2)C(C)C)c1,CHEMBL262064,6.98
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C(C)(C)C)n4)c4ccccc43)CC2)C(C)C)c1,CHEMBL442469,6.28
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+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL402964,8.72
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+C[C@@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL255354,8.54
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL403633,9.2
+C[C@H]1CN(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL271662,7.82
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+C[C@H]1CN(CCC(=O)N(CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403191,7.18
+C[C@H]1CN(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL255555,7.64
+C[C@H]1CN(CCC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL404583,7.49
+C[C@H]1CN(CCC(=O)N(CC2CC2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL258294,7.66
+CC(C)CN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,CHEMBL258115,7.55
+CCN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,CHEMBL403324,7.72
+C[C@H]1CN(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL256834,7.18
+C[C@H]1CN(CCC(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403325,7.24
+C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL441899,7.1
+C[C@H]1CN(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401508,7.7
+C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401716,7.44
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270190,9.33
+COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=CC1=O,CHEMBL404097,4.46
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5,CHEMBL255467,6.84
+COc1ccc2c3c1O[C@H]1C(=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL257627,6.34
+COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL437602,6.54
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL265195,6.59
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2[N+](=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL408775,5.12
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL429685,5.79
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL259299,8.0
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL407155,6.96
+COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL408422,6.52
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=C[C@H]3[C@H]1C5,CHEMBL410907,8.68
+CO[C@H]1CC[C@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL409743,6.28
+COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL412301,5.72
+CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL358043,8.96
+CN1CC[C@]23c4c5cccc4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5,CHEMBL258669,6.91
+CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL261048,7.64
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL257140,8.19
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL257139,7.47
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL402135,7.33
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL403273,6.35
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL429677,8.05
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL402189,7.82
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL254754,7.57
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL437784,7.28
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL257355,8.23
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL402820,7.85
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC,CHEMBL401594,7.68
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254960,7.6
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254959,7.38
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL411557,8.03
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL493846,7.25
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL495058,8.08
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1,CHEMBL495057,10.15
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1,CHEMBL523382,9.92
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494854,9.96
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494853,9.68
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL521854,10.0
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL522143,9.195
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL515864,9.32
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+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1,CHEMBL514769,9.82
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccccn1,CHEMBL514781,8.58
+C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)CSSC1(C)C)C(N)=O,CHEMBL525046,8.69
+COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473136,9.39
+N#CC1(c2ccccc2)CCN(CCCCc2ccccc2)CC1,CHEMBL495760,5.01
+N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL495549,5.23
+NC(=O)c1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084538,5.88
+NC(=O)[C@@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084540,6.46
+NC(=O)[C@@]1(c2cc(F)cc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084541,6.33
+NC(=O)[C@@]1(c2cc(F)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084544,7.13
+NC(=O)[C@@]1(c2cc(CF)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084545,6.44
+N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084547,6.46
+N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084548,6.68
+CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084549,6.51
+CC(=O)N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084550,6.22
+COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084551,6.13
+COC(=O)NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511232,6.05
+COC(=O)N[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084552,6.02
+CN(C)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084553,6.08
+NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084526,7.07
+NC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084554,6.55
+NC(=O)C[C@@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084555,6.72
+N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084557,6.35
+NC(=O)[C@@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084559,7.15
+NC(=O)[C@@]1(c2ccncc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084560,6.58
+NC(=O)[C@@]1(c2ccc(Br)nc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084561,7.34
+NC(=O)C1(C2CCCCN2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512962,6.32
+NC(=O)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084528,7.28
+NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084529,6.91
+NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084530,6.84
+NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084531,6.82
+Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084532,7.59
+COc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084533,6.88
+NC(=O)[C@@]1(c2ccc(N)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084534,6.69
+N#Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084536,6.32
+C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1,CHEMBL467933,6.13
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1,CHEMBL511920,7.03
+OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1,CHEMBL466846,6.29
+Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2,CHEMBL513136,7.19
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466847,7.66
+OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511373,5.83
+OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL513171,6.33
+OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL511374,7.38
+Cc1ccnc(C2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)c1,CHEMBL466126,6.15
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1,CHEMBL467488,7.24
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1,CHEMBL512411,6.27
+COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1,CHEMBL466066,6.42
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1,CHEMBL466067,6.98
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1,CHEMBL506634,6.11
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCN2Cc2ccccc2)C3)c(Cl)c1,CHEMBL513303,5.81
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1,CHEMBL466679,6.21
+Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(CCCO)C3)c(Cl)c1,CHEMBL512247,6.51
+OC1(c2cccnc2)C2CCC1CN(C(c1ccccc1Cl)c1ccccc1Cl)C2,CHEMBL512982,5.14
+Cc1ccnc(C2(O)C3CCC2CN(C(c2ccccc2Cl)c2ccccc2Cl)C3)c1,CHEMBL466082,5.45
+COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512950,6.2
+OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL468952,6.2
+O=C(O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL513471,6.91
+NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512414,7.42
+COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467313,6.24
+NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512258,6.34
+CNC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467314,7.57
+O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1,CHEMBL466919,6.0
+Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(c1ccccc1)(c1nnc[nH]1)C2,CHEMBL513660,7.0
+O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467119,6.22
+NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466921,6.9
+NC(=O)C1(c2ccc(Cl)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467131,7.26
+COc1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL512612,7.23
+CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467497,7.3
+CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL513667,6.67
+CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL467699,6.48
+COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466693,7.22
+CC(O)CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466694,7.24
+Nc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL499868,8.41
+O=[N+]([O-])c1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL526362,7.8
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCCc2ccccc2)cc13,CHEMBL501447,8.0
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCc2ccccc2)cc13,CHEMBL524505,7.68
+OCCCOc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500123,7.74
+NC(=O)COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL497108,7.26
+COc1ccc(CC(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL521543,9.66
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3)c1ccc(-c2ccccc2)cc1,CHEMBL451320,7.82
+O=C(COc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500419,10.21
+Cc1ccc(C(C)C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL500154,8.64
+O=C(Cc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL501739,9.49
+O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL503457,8.57
+Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL33986,9.747
+C[C@H]1[C@H]2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL499884,8.17
+CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481512,8.98
+CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL518950,8.43
+CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481366,9.23
+CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL501331,7.96
+CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481367,8.2
+CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481547,7.35
+CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481548,6.82
+CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481707,6.99
+CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL519100,7.19
+CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480425,7.96
+CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480426,7.7
+CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1,CHEMBL519925,7.68
+CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1,CHEMBL480619,7.96
+O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,CHEMBL506616,6.89
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL502411,7.52
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL506217,6.17
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(O)cc1,CHEMBL486388,6.92
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL510506,7.43
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1cccc(O)c1,CHEMBL509201,7.4
+COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1,CHEMBL507127,6.77
+COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1,CHEMBL506211,7.37
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL446754,6.68
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(F)cc1,CHEMBL501888,7.32
+C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL525580,5.66
+C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O,CHEMBL499595,7.66
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL522071,6.11
+CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL450818,6.47
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O,CHEMBL442612,6.44
+COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL500122,6.66
+COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL526686,6.55
+COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL499315,5.96
+COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL524522,5.25
+CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498116,6.28
+CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498442,6.51
+CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL379138,6.28
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL455502,6.95
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL500212,7.43
+CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL504973,7.92
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL35838,7.94
+C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL466147,6.15
+C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL445690,5.5
+C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL387816,6.65
+C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL512955,7.14
+C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL493621,8.26
+C[C@H]1C2Cc3cc(N)c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495462,7.06
+C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1,CHEMBL522375,9.26
+C[C@H]1C2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495461,6.2
+C[C@H]1C2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL494614,7.7
+C[C@H]1C2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL494613,5.42
+C[C@H]1C2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL509054,7.49
+C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL468182,7.06
+C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(-c6ccccc6)cc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL463518,7.55
+C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL511243,7.36
+C[C@H]1C2Cc3ccc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL468857,8.16
+C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL502583,6.05
+C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL469189,9.26
+C[C@H]1C2Cc3ccc4c(=O)nc[nH]c4c3[C@@]1(C)CCN2CC1CC1,CHEMBL512474,6.57
+C[C@H]1C2Cc3cc4[nH]cnc(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL469188,6.77
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,9.22
+C[C@H]1C2Cc3ccc4n[nH]nc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL475108,8.85
+Cc1nc2ccc3c(c2[nH]1)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C,CHEMBL506290,8.6
+C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1,CHEMBL475107,8.02
+C[C@H]1C2Cc3cc4n[nH]nc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL515593,8.0
+C[C@H]1C2Cc3cc4[nH]c(=O)[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL515257,7.22
+Cc1nc2cc3c(cc2[nH]1)CC1[C@H](C)[C@]3(C)CCN1CC1CC1,CHEMBL473699,9.11
+C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL518712,9.51
+C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL170384,7.74
+CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL510201,6.16
+CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474091,5.64
+CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL475308,4.93
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514606,5.07
+CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL472676,5.39
+O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL472677,5.28
+C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474708,5.37
+C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514965,4.2
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475496,4.48
+COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516077,6.17
+O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL473884,6.32
+COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516024,6.14
+NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL472867,6.05
+CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL473068,5.97
+CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475096,6.11
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL518325,6.13
+O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL456225,6.2
+O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL510745,6.4
+CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL460636,6.38
+O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL517265,6.01
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C,CHEMBL499169,5.72
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL515829,5.59
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL457244,5.86
+O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL501088,5.74
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL457451,6.36
+O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464191,6.36
+O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464192,6.17
+CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL517167,6.84
+CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL515142,6.78
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475707,6.87
+O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL472669,7.05
+O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL516389,6.95
+CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL514662,7.55
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475310,7.59
+CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473700,7.44
+CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473701,6.91
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL473904,7.43
+CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL471262,6.85
+CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL511649,7.85
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21,CHEMBL474283,7.23
+CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474485,7.46
+CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474687,7.43
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL514489,7.16
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL515091,7.02
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL514463,6.92
+CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473272,7.37
+C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL475094,6.7
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21,CHEMBL474092,7.19
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21,CHEMBL473278,6.62
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473279,7.21
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C,CHEMBL473280,7.09
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL473898,7.16
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474096,7.18
+CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL515575,6.69
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL471882,6.99
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21,CHEMBL511162,6.86
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O,CHEMBL516187,6.53
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O,CHEMBL511161,6.85
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O,CHEMBL471880,7.3
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O,CHEMBL472086,6.51
+CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475497,4.89
+CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O,CHEMBL470585,5.15
+CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O,CHEMBL513390,4.89
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL474755,8.6
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL514774,9.47
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL471543,8.38
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL512526,8.46
+CCCCCCC(N)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL509528,10.09
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL412923,10.23
+CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O,CHEMBL526349,6.58
+CCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1O[C@H](C(N)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL446814,6.83
+NC(=O)[C@H]1O[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL451830,6.82
+CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL503367,6.92
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL499141,6.94
+CCCCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL505960,7.81
+CCCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL500704,8.52
+CCCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL510939,8.53
+CCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL471806,8.67
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,7.09
+CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1,CHEMBL443601,8.02
+NC(=O)c1ccc2c3c1O[C@H]1C4NC5C(C[C@@]6(O)[C@H]7Cc8ccc(C(N)=O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)C4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL506457,6.4
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL517567,9.11
+C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL516552,7.74
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL415284,9.58
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1,CHEMBL297428,9.51
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,8.285
+CC(C)=CCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C,CHEMBL461227,8.28
+C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL257661,8.42
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2C,CHEMBL511884,8.8
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,CHEMBL3275494,9.7
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CCc1ccccc1,CHEMBL464230,10.82
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL517779,9.82
+C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL464250,8.35
+NC(=O)c1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL442719,8.6
+Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL468469,9.68
+NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511588,8.15
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL518083,8.59
+NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349273,6.17
+CNC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349274,6.25
+CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349275,5.83
+CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349276,6.11
+COC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349277,6.04
+CC(=O)N(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349278,5.58
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@@](CN1CCCC1)(c1ccccc1)C2,CHEMBL3349279,5.38
+CC(=O)NC[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349281,5.68
+COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,CHEMBL3349282,5.62
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@]1(CNc3ccccc31)C2,CHEMBL3349283,5.92
+Fc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349284,5.77
+Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349285,6.0
+NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349286,5.87
+CC(=O)NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349287,6.34
+NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349260,5.85
+CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349261,6.11
+NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349263,6.21
+CC(=O)NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349248,6.43
+CCNC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349249,6.13
+CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349250,6.11
+CC(=O)NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349256,5.89
+CN(C)C[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349257,5.4
+COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3349272,6.91
+COc1cccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3349258,6.6
+CCNC[C@]1(c2cccc(OC)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349264,6.35
+CC(=O)NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349268,6.12
+COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3349269,5.46
+CC(=O)NC[C@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3349270,6.12
+Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(NC3CCCCC3NC(=N)N)c2c1,CHEMBL3216439,6.51
+Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=N)N)c2c1,CHEMBL3216666,6.48
+Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@@H]3CCCC[C@@H]3NC(=N)N)c2c1,CHEMBL3216904,6.57
+CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL501238,8.08
+CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL509792,8.24
+CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL502398,7.53
+CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL442943,7.62
+CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL452991,10.53
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@@H]3O2,CHEMBL455906,5.91
+Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL455905,6.25
+Oc1ccc2c(c1)[C@@]13CCN(CCc4ccccc4)[C@@H](CC[C@H]1O2)C3,CHEMBL515681,6.29
+CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c(O)cccc13,CHEMBL450850,5.49
+Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CCN3CCc1ccccc1,CHEMBL514724,8.15
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,5.7
+C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)O,CHEMBL500766,8.69
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL476600,9.85
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL476603,8.8
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL515621,8.25
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL516263,6.91
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,CHEMBL516085,7.16
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL472843,8.84
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL473253,8.57
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL513990,6.65
+NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511795,7.34
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL469815,9.29
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL398707,9.55
+CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL471049,8.92
+CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL471048,9.52
+Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511816,9.62
+NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511621,8.6
+NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3,CHEMBL470005,9.8
+C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL470617,8.7
+C[N+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL511461,7.43
+C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL511302,8.89
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3,CHEMBL511645,10.14
+NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,CHEMBL513762,8.42
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@H](O)C3,CHEMBL512150,9.28
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2,CHEMBL3084634,5.97
+Fc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084673,5.94
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2,CHEMBL3084656,6.05
+Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084648,6.18
+Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084655,6.63
+CSc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,CHEMBL3084666,6.23
+Cc1cccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084672,5.77
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1Br)C2,CHEMBL3084660,5.08
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2,CHEMBL3084669,6.04
+Cc1ccnc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1,CHEMBL3084635,6.05
+Fc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084661,5.27
+Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084667,6.56
+COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,CHEMBL3084636,6.38
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2,CHEMBL3084668,6.48
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2,CHEMBL3084637,6.54
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2,CHEMBL3084642,6.1
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2,CHEMBL3084649,5.93
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2,CHEMBL561373,6.39
+CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084677,6.22
+N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL561115,6.51
+OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL551111,6.49
+COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL416647,5.73
+COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL246003,6.32
+COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL551072,5.74
+COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c(n(C)c2ccccc12)C3,CHEMBL557252,6.15
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL554292,5.85
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL562139,6.98
+CN1CC[C@]23Cc4c(c5ccccc5n4C)C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL557937,7.4
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL562340,6.28
+Cn1c2c(c3ccccc31)C[C@@]13Cc4ccc(O)cc4[C@@]1(CCN(CC1CC1)C3)C2,CHEMBL558135,6.33
+NC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL550063,5.57
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1,CHEMBL551613,6.35
+CN(Cc1ccccc1)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551536,5.74
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)o1,CHEMBL550669,5.47
+CCN(CC)C(=O)c1cc(C2=CC3(CCNCC3)Oc3ccccc32)cs1,CHEMBL562898,6.66
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(C)c1,CHEMBL562478,5.47
+O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1,CHEMBL554617,9.25
+CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL560200,8.73
+Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL563988,9.1
+CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL551074,8.955
+CCC(=O)N(c1ccc(C(C)NC(=O)[C@H]2O[C@@H](c3nc4ncnc(NC5CCCC5)c4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL572393,6.14
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216251,9.15
+O=C1CC[C@@]2(NCC#Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL574175,9.01
+O=C(C#Cc1ccccc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL575682,8.88
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL575451,8.84
+O=C(C#Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL574397,8.43
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL578422,8.13
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL577168,8.01
+FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL575994,6.655
+CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577786,6.31
+CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573517,5.3
+CCN(CC)C(=O)c1ccc(N(c2cccc(NC(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573775,5.99
+CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL583331,6.34
+CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL574640,7.12
+CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573757,5.54
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)NC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573739,5.33
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577615,6.55
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL575926,5.15
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577359,5.38
+CCN(CC)C(=O)c1ccc(N(c2cccc(CO)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577394,5.42
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577356,6.08
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL576740,5.81
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL572669,5.43
+CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567818,5.93
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567604,7.06
+CC[C@]12CCN(C[C@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL566557,5.88
+CC[C@]12CCN(C[C@@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL567213,6.22
+CC[C@]12CCN(CCc3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL568076,6.7
+CC[C@]12CCN(C)C[C@H]1Oc1ccc(O)cc12,CHEMBL582929,5.88
+CC[C@]12CCNC[C@H]1Oc1ccc(O)cc12,CHEMBL566749,5.46
+CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL566527,7.1
+CC[C@@]12CCN(C[C@@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL568309,8.03
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL72180,9.117
+CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL430441,7.76
+CC[C@@]12CCNC[C@@H]1Oc1ccc(O)cc12,CHEMBL567855,7.32
+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566346,9.15
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL565679,9.34
+COC(=O)C(C)CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566762,8.77
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL573918,7.33
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)OCc1ccccc1,CHEMBL575647,8.07
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL582930,9.02
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL584790,9.33
+CC(CCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL575031,8.54
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL584791,9.37
+C=CCN1CC[C@]23c4c5ccc(OC(=O)C(C)CCCCCCC(C)C(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3C1C5,CHEMBL584792,8.43
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL578629,9.74
+CCC(=O)N(CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C)C1CCN(CCc2ccccc2)CC1,CHEMBL570516,5.18
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1,CHEMBL569316,6.69
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,CHEMBL569956,5.9
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL568803,6.74
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570000,6.94
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL584941,6.9
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL568818,6.75
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1,CHEMBL569006,6.33
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1,CHEMBL576267,6.79
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccc(C)cc3)CC2)cc1,CHEMBL569728,7.21
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1,CHEMBL568865,6.19
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569755,7.06
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1,CHEMBL585900,6.9
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CCCCC3)CC2)cc1,CHEMBL570233,6.54
+C=CCCN1CCC(N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1,CHEMBL570232,6.89
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1,CHEMBL571324,7.06
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,CHEMBL570181,5.35
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL569704,5.89
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570446,5.6
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL570645,5.71
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL569945,5.8
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569084,5.68
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cnc[nH]3)CC2)cc1,CHEMBL584727,6.51
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1,CHEMBL569529,5.81
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3nccn3C)CC2)cc1,CHEMBL570448,6.11
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568876,9.15
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL576273,8.27
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568877,9.51
+COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568988,8.6
+Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL568813,7.8
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571998,9.59
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571767,10.59
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568757,10.1
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571560,8.77
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571990,9.21
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL570225,8.77
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13,CHEMBL568989,9.47
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL570429,9.24
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570654,8.96
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13,CHEMBL568829,7.96
+O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL571561,8.41
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13,CHEMBL569724,7.77
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL569725,7.64
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572216,7.62
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc13,CHEMBL570449,7.82
+OCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568878,6.44
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc13,CHEMBL578173,6.72
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2c(cc13)OCN(Cc1ccccc1)C2,CHEMBL576065,6.96
+O/N=C\c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL585901,8.42
+NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568830,6.54
+CCCNCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL583265,6.48
+Oc1cc2c(cc1CNCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569215,8.17
+Oc1cc2c(cc1CNCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569313,7.12
+Oc1cc2c(cc1CNCCCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569448,7.62
+CCN(CCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568071,6.8
+CCN(CCCCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566128,7.19
+CCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL584530,6.74
+Oc1cc2c(cc1C(O)CCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL567170,7.13
+Oc1cc2c(cc1C(O)CCCCCCCCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL568758,7.46
+CCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL571322,7.77
+CCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570428,7.44
+OCCCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572217,7.44
+O=C(CCCCC(=O)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL569009,7.44
+CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,CHEMBL577745,8.63
+CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,CHEMBL577746,8.3
+C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,CHEMBL577747,8.34
+C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,CHEMBL577748,8.06
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCc1ccccc1,CHEMBL570634,7.25
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,CHEMBL577749,6.91
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,5.14
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1,CHEMBL595472,7.18
+CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1,CHEMBL593824,6.42
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL605293,7.46
+CCN(C)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL592908,7.28
+CC(C)(O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL595233,6.96
+CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592302,6.45
+CC[C@@]12CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592300,6.17
+CC[C@@]12CCN(C)C[C@@H]1Oc1c(O)cccc12,CHEMBL599174,6.1
+CN1CC[C@@]2(CCc3ccccc3)c3cccc(O)c3O[C@H]2C1,CHEMBL598977,6.13
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL599175,5.79
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c(O)cccc12,CHEMBL589260,5.33
+Oc1ccc2c(c1)C1CCN(CCc3ccccc3)CC1O2,CHEMBL592627,9.05
+Oc1ccc2c(c1)C1CCN(CC3CC3)CC1O2,CHEMBL589587,8.4
+Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12,CHEMBL1076554,4.35
+O=C(C1=CCCN2CCC[C@@H]12)c1ccccc1O,CHEMBL1080153,4.31
+Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@H]12,CHEMBL608815,4.74
+Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12,CHEMBL1082013,5.49
+Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12,CHEMBL1080674,4.89
+c1cc2c(cc1OCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1075629,8.15
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076572,9.02
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)CC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076573,8.92
+OC(CCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076574,7.77
+OC(CCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076575,7.92
+OC(CCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076576,8.49
+OC(CCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076577,8.32
+OC(CCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076578,8.62
+OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4c(c3)[C@@]35CCCC[C@H]3[C@@H](C4)N(CC3CCC3)CC5)cc2)cc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076579,9.62
+c1cc2c(cc1OCC1CO1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081084,8.14
+CCCCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081250,8.13
+CCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1080925,9.68
+CCCCCCCCCCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081093,7.15
+OC(COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081608,8.19
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1,CHEMBL1079079,5.83
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080485,7.16
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080484,7.52
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,CHEMBL1080483,6.57
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,CHEMBL1079943,7.85
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O,CHEMBL1079942,8.24
+CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O,CHEMBL1079941,7.72
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL1079940,8.14
+CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,CHEMBL1079418,6.95
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O,CHEMBL1079417,5.5
+CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21,CHEMBL1081741,6.28
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,CHEMBL1079571,6.97
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,CHEMBL1079400,8.66
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O,CHEMBL1080464,8.96
+CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21,CHEMBL1080463,7.57
+CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL1076242,6.46
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,CHEMBL1081192,7.92
+CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O,CHEMBL1081191,8.28
+CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,CHEMBL1082092,7.68
+CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,CHEMBL1076208,6.97
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21,CHEMBL1079562,8.43
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21,CHEMBL1080520,6.92
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21,CHEMBL1080508,6.86
+CNC(=O)Cn1c(=O)n(C2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21,CHEMBL1080507,7.17
+CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21,CHEMBL1088569,5.57
+CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL1087370,5.73
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21,CHEMBL1087278,6.9
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3(C)C)CC2)c2ccccc21,CHEMBL1087276,7.33
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,CHEMBL1087658,7.11
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,CHEMBL1087657,6.7
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21,CHEMBL1087532,6.55
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3(C)C)CC2)c2ccccc21,CHEMBL1087531,6.46
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC4(CCCCC4)C3)CC2)c2ccccc21,CHEMBL1088171,7.47
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21,CHEMBL1088036,7.96
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL1086749,6.22
+CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21,CHEMBL1086622,5.75
+O=CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL1091995,6.38
+CCC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094237,6.19
+COC(=O)N1C[C@H]2[C@@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1096475,5.21
+COC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094880,6.85
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1096474,6.74
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL1096473,5.94
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1095521,6.33
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1,CHEMBL603370,9.44
+Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O,CHEMBL1241328,5.05
+FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1645202,6.34
+CC(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642737,7.1
+CC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642738,6.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCC2CCCCC2)cc1,CHEMBL1642739,7.4
+CCCCCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642740,7.3
+CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642741,7.3
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2=CCCCC2)cc1,CHEMBL1642742,7.6
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccs2)cc1,CHEMBL1642743,7.6
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCc2cccc(F)c2)cc1,CHEMBL1642744,7.0
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccc(F)c2)cc1,CHEMBL1642745,7.5
+CC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1,CHEMBL1642746,8.0
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)cc1,CHEMBL1642747,8.3
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccc(F)cc3C2)cc1,CHEMBL1642748,7.9
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2CCOCC2)cc1,CHEMBL1642749,6.9
+NC(=O)c1ccc2c(c1)CCCN2c1cccc(CNCCC2=CCCCC2)c1,CHEMBL1642751,7.3
+NC(=O)c1ccc2c(c1)CCCN2c1cccc(C(=O)NCCC2=CCCCC2)c1,CHEMBL1642752,5.7
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNC1Cc2ccccc2C1,CHEMBL1642753,8.1
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642754,8.1
+NC(=O)c1ccc2c(c1)CCCN2c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642755,7.6
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(C(F)(F)F)c1,CHEMBL1642756,7.3
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1,CHEMBL1642757,7.8
+Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642758,8.8
+Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642759,7.9
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNCCC1=CCCCC1,CHEMBL1642760,7.0
+C1=C(CCNCc2ccc(N3CCCc4ccccc43)cc2)CCCC1,CHEMBL1642761,6.4
+OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650844,6.7
+OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650845,6.89
+CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1,CHEMBL1650847,6.64
+OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650843,6.75
+OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650842,6.52
+O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1,CHEMBL1650851,7.8
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O)N(C)C,CHEMBL1743603,5.35
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C,CHEMBL1214049,5.64
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743605,8.46
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743604,8.96
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672177,8.7
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672178,8.22
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672179,7.59
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672180,7.85
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672181,7.33
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672182,8.52
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672183,7.8
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672184,8.4
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672185,6.58
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672186,6.34
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672187,7.12
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672188,7.96
+C[C@H]1CN(CC2CC2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL1672190,8.76
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766022,8.57
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1,CHEMBL1766023,8.62
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766024,8.52
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766025,8.33
+FC(F)(F)CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766026,7.68
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766027,7.77
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766028,7.24
+c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766029,6.74
+c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766030,8.0
+COc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766031,8.04
+Oc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766032,8.0
+CCNC(=S)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766033,6.89
+c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)nc1,CHEMBL1766034,6.21
+c1c2c(cc3sc(=NN4CCNCC4)[nH]c13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,CHEMBL1766035,5.57
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766036,8.0
+CC(=O)N(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766037,6.96
+CCN(C(C)=O)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766038,7.07
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766039,8.74
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766040,8.96
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766041,8.13
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766042,7.82
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766043,8.4
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766044,7.62
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766045,7.12
+c1c2c(cc3sc(NCCCCCCCCCCNc4nc5cc6c(cc5s4)C[C@@H]4[C@@H]5CCCC[C@]65CCN4CC4CC4)nc13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,CHEMBL1774952,8.6
+O=C(CCCCCCCCC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1774951,8.06
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(O)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774950,9.09
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1774949,10.05
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(OC)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774948,9.26
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13,CHEMBL1773091,9.82
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13,CHEMBL1774947,9.59
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13,CHEMBL1774946,9.85
+O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1,CHEMBL1783826,6.72
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,CHEMBL1795711,8.6
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795712,9.15
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795713,8.76
+C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O,CHEMBL1795717,8.71
+Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1,CHEMBL1808300,6.78
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@H]1O2)C3,CHEMBL1808302,6.31
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@@H]1O2)C3,CHEMBL1808303,6.6
+Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1,CHEMBL1808304,6.42
+CS(=O)(=O)Nc1cccc([C@H]2[C@@H]3CN(CCCc4ccccc4)C[C@@H]32)c1,CHEMBL1808383,6.77
+C[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCc3ccccc3)C[C@H]21,CHEMBL1808384,8.367
+Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL1814705,8.96
+CN1C[C@H]2Oc3c(O)cccc3[C@@]23CCC[C@@H]1C3,CHEMBL1814702,6.21
+CN1C[C@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3,CHEMBL1814703,5.82
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@H]3O2,CHEMBL1814704,7.17
+CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1,CHEMBL1818336,6.96
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1,CHEMBL1818337,6.7
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1,CHEMBL1818338,6.29
+CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1,CHEMBL1818339,6.41
+CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,CHEMBL1818340,5.9
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(F)(F)C2)cc1,CHEMBL1818342,6.12
+CC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818222,6.16
+O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCC(F)(F)C1,CHEMBL1818326,6.0
+C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1,CHEMBL1818327,6.13
+O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1,CHEMBL1818328,7.15
+COC[C@H](C)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818329,6.36
+COC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,CHEMBL1818330,7.05
+CN(C)CCNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818331,7.0
+CC1(CNCc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)COC1,CHEMBL1818332,6.71
+CC1(O)CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,CHEMBL1818233,7.03
+O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,CHEMBL1818234,7.18
+COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1,CHEMBL1818235,6.68
+O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)cc1)N1CCCC[C@H]1CO,CHEMBL1818236,7.49
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1,CHEMBL1818237,6.03
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1F,CHEMBL1818324,6.42
+O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)c(F)c1)N1CCCCC1,CHEMBL1818325,6.95
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1,CHEMBL1818223,6.12
+CC(C)(C)CCNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818228,5.88
+CC(C)CNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818230,6.79
+O=S(=O)(c1ncccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,CHEMBL1818231,6.13
+CC(C)(C)CCNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818232,7.41
+CC(C)C[C@]1(c2cccc(O)c2)CCN(CC2CC2)C1,CHEMBL1818334,8.77
+O=S(=O)(c1ccccc1-c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1)N1CCCCC1,CHEMBL1818335,7.68
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1,CHEMBL1824509,10.0
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Br)c1,CHEMBL1824510,9.2
+Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL1824512,9.41
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Cl,CHEMBL1824514,9.17
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Br,CHEMBL1824513,9.35
+Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824515,9.24
+O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824516,9.07
+O=C(CCc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824511,9.24
+O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824517,9.14
+CN1CCC(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)CC1,CHEMBL1824518,9.06
+CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1834409,8.67
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834410,8.53
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834411,8.66
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834412,8.25
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834413,7.94
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834414,7.84
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834415,7.88
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834416,7.98
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,5.9
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.65
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.22
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.11
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,6.01
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.06
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.64
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.67
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.07
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,4.96
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,6.0
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL139835,6.05
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,6.46
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,6.14
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.85
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.63
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.23
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.04
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.77
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.24
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,5.23
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/N=C2\CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL1618305,8.623
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.61
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL1276308,6.0
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.36
+COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,CHEMBL772,5.77
+CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL18797,4.86
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.15
+CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,CHEMBL163,4.58
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.41
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.32
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL70586,7.02
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,CHEMBL277863,7.46
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1,CHEMBL1921839,6.63
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1,CHEMBL1921840,7.4
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921841,7.5
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921842,7.59
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921844,7.39
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921845,7.45
+Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921847,7.715
+Cc1cc(C)cc([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921848,7.0
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)C1c1ccccc1,CHEMBL1921849,7.28
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)[C@@H]1c1ccccc1,CHEMBL1921850,7.37
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)[C@H]1c1ccccc1,CHEMBL1921851,6.97
+FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939698,6.32
+FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939699,6.22
+CN1C[C@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951699,6.86
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@@H]3O)c1,CHEMBL1951701,7.13
+CN1C[C@@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951700,6.46
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@H]3O)c1,CHEMBL1951702,8.34
+CN1C2CCC[C@@](c3cccc(O)c3)(C2)[C@@H]1CO,CHEMBL1951704,6.5
+CN1CC2(OCCO2)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951705,7.66
+C[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21,CHEMBL1957717,9.305
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC(O)Cc3ccccc3)C[C@H]21,CHEMBL1957842,8.39
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3O)C[C@H]21,CHEMBL1957843,10.05
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](/C=C\c3ccoc3)C[C@]21C,CHEMBL2022018,5.59
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3)C[C@]21C,CHEMBL2022019,5.83
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC)c3)C[C@]21C,CHEMBL2022021,5.51
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3O)C[C@]21C,CHEMBL2022293,5.44
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC(F)(F)F)c3)C[C@]21C,CHEMBL2022298,5.32
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(C(F)(F)F)c3)C[C@]21C,CHEMBL2022299,5.47
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccco3)C[C@]21C,CHEMBL2022300,5.01
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccsc3)C[C@]21C,CHEMBL2022302,5.6
+CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCC2CCCN2C)cc1,CHEMBL3215669,9.37
+CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2CCN(CC)CC)cc1,CHEMBL3216999,8.27
+CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2CCN(C)C)cc1,CHEMBL3217000,6.96
+CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2CCC2CCCN2C)cc1,CHEMBL3216780,6.77
+CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2C2CCN(C)CC2)cc1,CHEMBL3215885,5.54
+CCOc1ccc(Cc2nc3cc(NC(=N)c4ccco4)ccc3n2CCN(CC)CC)cc1,CHEMBL3215667,7.57
+CCOc1ccc(Cc2nc3cc(NC(=N)c4ccsc4)ccc3n2CCN(CC)CC)cc1,CHEMBL3217210,7.92
+CCOc1ccc(Cc2nc3cc(NC(=N)c4ccoc4)ccc3n2CCN(CC)CC)cc1,CHEMBL3216560,7.38
+CCOc1ccc(Cc2nc3cc(NC(C)=N)ccc3n2CCN(CC)CC)cc1,CHEMBL3217211,7.32
+CCOc1ccc(Cc2nc3cc(NC(N)=N[N+](=O)[O-])ccc3n2CCN(CC)CC)cc1,CHEMBL3215668,8.12
+CCOc1ccc(Cc2nc3ccc(NC(=N)c4cccs4)cc3n2CCN(CC)CC)cc1,CHEMBL3217001,8.11
+CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,CHEMBL1201776,6.8
+CN1CC[C@]23c4c5ccc(NCc6ccc(O)cc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048787,7.36
+CN1CC[C@]23c4c5ccc(NCc6cccc(O)c6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048786,8.15
+CN1CC[C@]23c4c5ccc(NCc6ccccc6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048785,7.89
+COc1ccc(CNc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@]425)cc1,CHEMBL2048784,7.22
+COc1cccc(CNc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@]425)c1,CHEMBL2048783,7.35
+COc1ccccc1CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL2048782,8.07
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1457,8.02
+Oc1cccc(CNc2ccc3c(c2)C[C@@H]2[C@@H]4CCCC[C@]34CCN2CC2CC2)c1,CHEMBL2048781,6.82
+CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048780,8.49
+CN(Cc1cccc(O)c1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048779,7.77
+CN(Cc1ccc(Cl)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048778,7.59
+COc1ccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048777,8.02
+COc1cccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048776,7.89
+COc1ccccc1CN(C)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048775,7.85
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13,CHEMBL2048774,9.38
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL2048773,9.55
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048772,9.8
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL2048771,8.72
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048770,9.46
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048769,9.49
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048768,8.77
+O=[N+]([O-])c1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048767,9.37
+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC4)OCO2,CHEMBL2048766,9.77
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048765,9.29
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+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)OCO2,CHEMBL2048764,9.47
+Clc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048763,8.77
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048762,9.07
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048761,9.16
+COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048760,8.57
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13,CHEMBL48420,8.1
+Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064130,6.86
+CCOc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064132,7.53
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1,CHEMBL2064133,6.4
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2cnccn2)CC1,CHEMBL2064134,6.63
+CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1,CHEMBL2064139,6.3
+Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,CHEMBL2064145,6.5
+Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064156,7.17
+CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1,CHEMBL2064157,7.09
+CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1,CHEMBL2064158,6.62
+Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064159,6.86
+Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,CHEMBL2064160,7.09
+CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CC2CCC(C1)C2c1ccccc1,CHEMBL2064161,7.55
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL2151735,7.83
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+C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL260120,5.96
+C[C@H](C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O)N1Cc2cc(O)ccc2C[C@H](N)C1=O,CHEMBL409225,5.57
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+CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,CHEMBL2158958,8.41
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2158957,9.14
+CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,CHEMBL2158956,6.88
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2158955,8.8
+COc1ccc(CN(C(=O)C(N)Cc2c(C)cc(C(N)=O)cc2C)C(C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O,CHEMBL3216329,8.77
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc2ccccc2c1,CHEMBL2163919,7.56
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+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccoc1,CHEMBL2163917,9.56
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+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1Cl,CHEMBL2163913,8.26
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc(Cl)c1,CHEMBL2163912,8.46
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)cc1,CHEMBL2163911,8.15
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(F)cc1,CHEMBL2163910,7.86
+C=C(C(N)=O)[C@@H](NC(=O)C(=C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)c1ccccc1,CHEMBL2163922,7.8
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL2163921,9.27
+C=C(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL2163920,6.99
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL148291,7.07
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2171852,6.12
+NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2171851,5.43
+N[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2171850,6.12
+N[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2171849,6.0
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2,CHEMBL2171847,7.42
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2,CHEMBL2171846,7.2
+CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2178724,4.13
+CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2178733,8.25
+CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2178732,7.81
+NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL2178731,8.23
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,6.64
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,7.29
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C=C4[C@@H](C2)N(CC2CC2)CC[C@]431,CHEMBL2179663,7.89
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)CCc2ccccc2)[C@H]1C5,CHEMBL2179662,9.03
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)Cc2ccccc2)[C@H]1C5,CHEMBL2179661,8.84
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)c2ccccc2)[C@H]1C5,CHEMBL2179660,7.08
+O=C(CCc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179659,8.59
+O=C(Cc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179658,8.98
+O=C(O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2179657,6.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL2179656,9.27
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC/C=C/c2ccccc2)[C@H]1C5,CHEMBL2179655,9.39
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL2179654,8.33
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL2179653,8.1
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179652,9.18
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179651,8.52
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179650,8.07
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179649,7.38
+CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180641,6.1
+CCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180640,6.39
+Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1,CHEMBL2180639,6.27
+Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1,CHEMBL2180638,6.08
+CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180637,6.49
+CCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL1188090,6.23
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2181202,9.84
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncn1,CHEMBL2178341,8.67
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnnc1,CHEMBL2178340,8.68
+COc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2178338,9.22
+N#Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2177697,8.9
+COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2178339,9.37
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.27
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.27
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.47
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.32
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.9
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,5.67
+COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205824,5.63
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,5.13
+CC1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3C1(C)CCN2CC1CC1,CHEMBL2208355,9.74
+COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1,CHEMBL2208354,10.19
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1,CHEMBL2208353,9.64
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1C,CHEMBL2208352,10.23
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccc(O)c5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208348,10.68
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208346,9.52
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208345,8.74
+CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208363,9.92
+CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208362,9.37
+CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208361,9.64
+CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208360,9.19
+COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208359,9.92
+COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208358,10.74
+CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1,CHEMBL289683,9.8
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208356,10.08
+CCOC(=O)N(c1ccccc1)C1CCN(CCn2c(=O)n(C3CC3)c3ccccc32)CC1,CHEMBL2313631,8.52
+C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)OCC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21,CHEMBL2313630,6.27
+C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3cc(Cl)ccc3Cl)CC2)c2ccccc21,CHEMBL2313629,7.72
+C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3cccc(Cl)c3)CC2)c2ccccc21,CHEMBL2313628,7.43
+CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O,CHEMBL2372399,5.23
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1,CHEMBL2334769,9.12
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1,CHEMBL2334768,9.24
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1,CHEMBL2334770,9.53
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1,CHEMBL2334771,9.78
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1,CHEMBL2334773,10.39
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1,CHEMBL2334772,10.49
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,CHEMBL2334774,10.86
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,CHEMBL2334775,10.89
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347239,9.09
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)nc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347238,9.21
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccn5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347237,9.48
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccnc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347236,10.19
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347235,10.19
+COC(=O)CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381589,5.3
+COC(=O)[C@@H]1C[C@H](OC(=O)CCCC(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381591,5.34
+CCOC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381594,6.14
+COC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381593,6.15
+O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1,CHEMBL2387190,6.27
+O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1,CHEMBL2387193,7.1
+O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL2387199,7.33
+CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387200,7.63
+CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387197,7.79
+CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387189,7.79
+CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387195,7.98
+CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387187,8.1
+CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL2387198,8.12
+CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387188,8.27
+CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387194,8.44
+CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387191,8.46
+CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387192,8.63
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387196,8.97
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,CHEMBL2386904,7.8
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,CHEMBL2386903,6.76
+C=CCN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386902,7.64
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,CHEMBL2386901,8.3
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,CHEMBL2386900,8.1
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,CHEMBL2386899,8.15
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,CHEMBL2386898,7.66
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,CHEMBL2386897,7.31
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,CHEMBL2386896,8.05
+CN1CC[C@@]2(CCc3ccccc3F)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386895,7.02
+CN1CC[C@@]2(CCc3ccc(F)cc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386894,6.78
+CCCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386893,7.04
+CCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386892,7.01
+CCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386891,7.08
+CN1CC[C@@]2(C)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386824,6.37
+CN1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386823,7.55
+CN1CC[C@@]2(CCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386822,7.35
+CN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386821,6.78
+CN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386820,7.18
+CN1CC[C@@]2(Cc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386819,7.22
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL1196093,8.4
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,CHEMBL2397016,8.46
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL2397021,9.12
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL2397020,8.82
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL2397019,8.21
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL2397018,8.95
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL2397017,8.04
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2397015,8.36
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL2397022,9.09
+CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL58362,11.0
+CC[C@@H]1CN2CC[C@@]34OCCO[C@@]3(Nc3ccc(F)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL2396991,8.15
+NC(=O)[C@H](CNC(=O)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1,CHEMBL2409172,7.0
+NC(=O)C[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2409171,7.72
+NC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2409170,7.7
+NC(=O)[C@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1,CHEMBL2409169,8.48
+NC(=O)[C@@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1,CHEMBL2409168,8.26
+NC(=O)[C@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2409034,7.85
+NC(=O)[C@@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2409033,7.68
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409225,8.18
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409224,8.03
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409223,7.89
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409222,8.14
+CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413879,5.51
+CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413877,5.8
+CN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1,CHEMBL2413796,5.38
+CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413795,5.64
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@@H](C[C@H](c4ccccc4)C2)C3)c1,CHEMBL2418732,7.28
+O=C1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418735,7.4
+CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1C[C@H](c1ccccc1)C2,CHEMBL2418731,7.64
+CN1CC[C@]2(c3cccc(O)c3)C[C@H](O)C[C@@H]1C2,CHEMBL2418736,7.66
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1,CHEMBL2418737,7.98
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418730,8.14
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2C)C1,CHEMBL2418729,8.31
+Oc1cccc([C@]23CCN(CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1,CHEMBL2418734,8.4
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(CCc3ccccc3)[C@@H]1C2,CHEMBL2418572,8.65
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2,CHEMBL2418571,8.83
+CN1CC[C@]2(c3cccc(O)c3)C[C@H]3CCCC[C@@H]3[C@H]1C2,CHEMBL2418733,9.05
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,5.67
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,5.81
+COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1,CHEMBL2443262,8.22
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086308,9.85
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086307,8.02
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3,CHEMBL3086306,8.18
+CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086305,10.07
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3,CHEMBL3086303,8.17
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)CC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217271,9.37
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)C)C[C@]1(c1cccc(O)c1)C2,CHEMBL3216613,9.55
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217273,8.12
+CCCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3215960,8.78
+CCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217051,8.47
+CN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217272,9.43
+C[C@@H]1CN(CCCc2ccccc2)[C@@H]2CCC[C@]1(c1cccc(O)c1)C2,CHEMBL3086466,8.79
+COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL322796,7.97
+O=C(CNC(=O)c1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086756,9.52
+O=C(CCc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086755,9.49
+O=C(Cc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086754,9.54
+COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,CHEMBL508044,5.47
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,5.69
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc21,CHEMBL3104104,7.59
+N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O,CHEMBL2307889,6.49
+CCC[C@@H](C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220706,6.08
+Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL3219777,7.29
+CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3219778,8.04
+COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL258098,6.41
+CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL272939,7.39
+CCO[C@@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219937,6.11
+CCO[C@H](CBr)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219940,5.45
+CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219942,5.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL120758,9.92
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262091,9.0
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262089,9.15
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262092,9.09
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262361,8.49
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262090,8.89
+CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262088,8.4
+CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262362,8.38
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262093,8.4
+O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262542,7.38
+O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262543,7.52
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262544,8.09
+CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262545,8.84
+CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21,CHEMBL3262546,8.98
+CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21,CHEMBL3262547,7.99
+CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21,CHEMBL3262548,7.97
+CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL3262549,8.71
+CCC1C(=O)N(C2CCN(C(C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL3262550,7.0
+CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21,CHEMBL3262551,7.99
+CCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL3262552,7.48
+CCC1C(=O)N(C2CCN(CCCCc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21,CHEMBL3262553,6.78
+C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264439,6.73
+C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264440,8.18
+CCOC(=O)C(CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3264441,7.58
+Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1,CHEMBL1455766,6.51
+CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291215,9.62
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5,CHEMBL3291216,10.0
+CC(C)(O)[C@H]1C[C@@]23CC[C@@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291214,9.62
+O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1,CHEMBL3287466,7.24
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287467,6.95
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287468,6.38
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287469,7.12
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL3287470,8.51
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330683,7.74
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330682,6.48
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330676,5.55
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330670,7.28
+C=CC(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330669,6.36
+C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330667,5.84
+C/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330666,6.27
+C=C(C)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330665,6.44
+COC(=O)[C@@H]1C[C@H](OC(=O)C=C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330664,6.55
+C=CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330663,6.01
+N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL3360832,8.47
+N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1,CHEMBL3361418,5.69
+COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1,CHEMBL3361419,6.16
+N=C(N)NCCNC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL3361425,6.7
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21,CHEMBL3299002,5.41
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C2CCCC(N3CCC(O)C3)C21,CHEMBL3323508,5.37
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC2CCCC(N3CCCC3)C21,CHEMBL3323509,5.55
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC2CCCC(N3CCC(O)C3)C21,CHEMBL3323510,5.31
+CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C1CCCC2N1CCCC1,CHEMBL3323511,5.29
+CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C1CCCC2N1CCC(O)C1,CHEMBL3323512,5.22
+CCCCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323513,5.64
+COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C3C(N4CCCC4)CCCC32)cc1,CHEMBL3323514,6.13
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)C2CCCC(N3CCCC3)C21,CHEMBL3323515,5.65
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)C2CCCC(N3CCCC3)C21,CHEMBL3323516,5.33
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)C2CCCC(N3CCC(O)C3)C21,CHEMBL3323517,5.36
+O=C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323518,5.89
+O=C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,CHEMBL3323519,5.44
+CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323520,5.55
+CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323521,5.48
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@H]21,CHEMBL3299005,5.63
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,CHEMBL3323522,5.35
+CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323523,5.75
+COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323526,5.66
+COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,CHEMBL3323527,5.22
+CN(C)[C@]1(c2ccccc2)CC[C@@](O)(c2ccccc2)CC1,CHEMBL3325745,7.35
+CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1,CHEMBL3325747,8.72
+CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1,CHEMBL3325748,7.92
+CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1,CHEMBL3325749,6.08
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1,CHEMBL3325751,8.52
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2ccccc2)CC1,CHEMBL3325878,7.96
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCCc2ccccc2)CC1,CHEMBL3325879,7.66
+CN(C)C1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1,CHEMBL3325880,8.68
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1,CHEMBL3325881,9.15
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1,CHEMBL3326220,9.52
+CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1,CHEMBL3326221,8.19
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1,CHEMBL3326222,8.02
+CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1,CHEMBL3326223,8.05
+CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12,CHEMBL3326224,9.405
+CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)OCCc1c3ccccc3[nH]c12,CHEMBL3326227,6.51
+COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1,CHEMBL3325962,8.96
+CN(C)[C@]1(c2ccccc2)CC[C@@]2(CCCc3c4ccccc4[nH]c32)CC1,CHEMBL3326231,8.71
+CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)c1[nH]c3ccccc3c1CCN2C,CHEMBL3326229,9.62
+CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12,CHEMBL3326228,9.41
+CN1C(=O)CCC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309506,8.91
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(CCC(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309507,9.54
+CN1C(=O)[C@H](CCO)CC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309508,8.63
+CN1C(=O)[C@@H](CCO)CC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309509,7.89
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309264,8.69
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309510,8.52
+C[C@@H]1CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N(Cc2ccccc2)C1=O,CHEMBL3309511,9.25
+C[C@H]1CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N(Cc2ccccc2)C1=O,CHEMBL3309512,9.38
+O=C1[C@H](CCO)CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309513,9.37
+O=C1[C@@H](CCO)CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309514,8.81
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309515,9.74
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1,CHEMBL3309518,9.96
+CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL3357966,7.88
+CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL3357967,8.06
+O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N1,CHEMBL3319079,8.44
+CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319080,6.5
+CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319081,6.37
+CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319084,8.24
+CC(=O)N[C@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319085,7.68
+CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319087,6.94
+CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319088,6.72
+CC(=O)N[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319089,7.28
+CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL3319091,8.39
+C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1,CHEMBL3326796,8.11
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF,CHEMBL3397593,7.88
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF,CHEMBL3397594,7.71
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1,CHEMBL3397595,7.2
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1,CHEMBL3397596,7.24
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+O=c1nc2[nH]cccc-2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665435,4.76
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1,CHEMBL3665441,4.91
+COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1,CHEMBL3670297,4.93
+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1,CHEMBL3665425,4.86
+O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665419,5.66
+CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O,CHEMBL3665428,5.21
+CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL3665422,6.08
+COc1ccc2c(c1)[C@@]13CCN(CC4CC4)C(C2)C1C1CC1C(=O)C3,CHEMBL3695755,6.95
+C=CCOC1CC23CCN(CC4CC4)C(Cc4ccc(OC)cc42)C3C2CC12,CHEMBL3695757,7.52
+C=C1CC23CCN(CC4CC4)C(Cc4ccc(OC)cc42)C3C2CC12,CHEMBL3695758,6.85
+COc1ccc2c(c1)[C@@]13CCN(CC4CC4)C(C2)[C@@H]1[C@H]1C2CCC(CC2)[C@H]1C(=O)C3,CHEMBL3695759,6.62
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+CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678965,8.64
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+CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678967,8.68
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+CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678971,7.33
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+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc6ccccc6c4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315,CHEMBL3678973,6.74
+CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccsc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678975,7.61
+CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1F)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678976,8.35
+CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678977,8.37
+CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678979,8.27
+CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,CHEMBL3678980,8.2
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+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13,CHEMBL3667190,9.41
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+CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667198,8.77
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1,CHEMBL3667195,8.46
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3C1C5,CHEMBL409938,9.49
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13,CHEMBL3667199,9.37
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13,CHEMBL3667193,9.2
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667191,7.57
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(=O)[nH]c4)cc2)c(O)c13,CHEMBL3667200,8.8
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3CCc2ccccc2)C1,CHEMBL3667192,9.18
+Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL3697625,8.04
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+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691860,9.11
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691861,8.31
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691862,8.5
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691864,9.44
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691865,9.28
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691875,8.23
+COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691886,8.82
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(OC)cc41)[C@@H]3C2,CHEMBL3654389,6.35
+NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654391,8.18
+NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654393,8.34
+O=C(O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654394,8.51
+O=C(O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654396,9.28
+NC(=O)CNC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654404,9.23
+C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O,CHEMBL3654405,9.25
+NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654406,8.73
+CC(C)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O,CHEMBL3654407,8.4
+NC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654408,9.39
+NC(=O)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O,CHEMBL3654409,9.15
+COc1ccc2c(c1)[C@]13CCN(C)C(C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654411,4.84
+CN1CC[C@]23Cc4[nH]c(=O)c(C(N)=O)cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3654412,6.19
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(Cc4ccccc4)C(Cc4ccc(OC)cc41)[C@]3(O)C2,CHEMBL3654413,5.4
+COc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C(C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654414,5.25
+O=C(O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@@H]2CC(=O)O,CHEMBL3688135,6.01
+O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@@]1(CCCC(=O)O)CCN2CC1CC1,CHEMBL3688136,6.04
+CN(C)C(=O)CCC[C@@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)/C2=C\C(=O)O,CHEMBL3688137,6.07
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O,CHEMBL3672560,5.04
+O=C1NC(=O)[C@@]2(CC[C@@]3(O)C4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1,CHEMBL3672561,7.8
+O=C1NC[C@@]2(CC[C@@]3(O)C4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1,CHEMBL3672563,8.45
+O=C1NC(=O)[C@@]2(CC[C@H]3C4Cc5ccc(O)cc5[C@]3(CCN4CC3CC3)C2)N1,CHEMBL3672565,8.08
+COc1ccc2c(c1)[C@]13CCN(C)C(C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O,CHEMBL3672566,5.41
+CN1CC[C@]23C[C@]4(CC[C@@]2(O)C1Cc1ccc(O)cc13)NC(=O)NC4=O,CHEMBL3672567,7.57
+COc1ccc2c(c1)[C@]13CCNC(C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O,CHEMBL3672569,4.83
+CCN1C(=O)NC(=O)[C@@]12CC[C@@]1(O)C3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3672570,8.64
+CN1C(=O)NC(=O)[C@@]12CC[C@@]1(O)C3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3672571,9.07
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1,CHEMBL3695669,7.64
+O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695671,7.67
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1,CHEMBL3695670,8.25
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1,CHEMBL3695668,7.89
+NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695667,7.61
+COc1ccc(CN2C=C3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1,CHEMBL3695665,6.66
+Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL3695676,7.3
+O=C(O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704583,5.45
+O=C(O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704584,5.95
+O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704586,5.26
+NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704588,5.78
+O=C(O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704589,5.33
+O=C(O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704590,4.95
+O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704591,5.13
+O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704594,4.93
+CCOC(=N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704607,6.29
+NC(=O)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704608,6.47
+CON=C(N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704609,5.61
+COC(=O)/N=c1\n(CC(N)=O)c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704610,5.56
+O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1,CHEMBL3704612,5.93
+OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,CHEMBL3704613,5.8
+O=C(O)CO/N=C/c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,CHEMBL3704614,5.82
+CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704620,5.74
+O=C(O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704623,5.475
+O=C(O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704625,5.35
+CS(=O)(=O)NCCN1CCC(Cc2nc3ccccc3n2C2CC3CCCC(C2)N3C2CC3CCCCC(C3)C2)C1,CHEMBL3704627,5.73
+CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704629,5.52
+c1ccc2c(c1)nc(C[C@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704631,5.72
+c1ccc2c(c1)nc(C[C@@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704632,5.78
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+c1ccc2c(c1)nc(-c1c[nH]cn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704644,6.28
+c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704645,6.28
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+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1,CHEMBL3664542,7.23
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+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.47
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+CO[C@]12C=C[C@@]3([C@@H]4C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL3746274,6.58
+CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL3746149,6.97
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+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,5.55
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.76
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1,CHEMBL3759541,8.77
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1,CHEMBL3758563,8.48
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(CO)C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL3758348,8.49
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)O,CHEMBL3758231,7.85
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)O,CHEMBL3758257,5.98
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL538700,8.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3759383,9.03
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1,CHEMBL3758712,10.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1,CHEMBL3758292,9.3
+NC(=O)[C@H]1CSCSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,CHEMBL3758259,9.33
+CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL326684,11.0
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)[C@H]1C5,CHEMBL3759489,7.99
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1,CHEMBL3759092,9.08
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCCO1)CC3,CHEMBL3759238,9.42
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583066,10.8
+Nc1nc2cc3c(cc2s1)CC1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL3759660,8.82
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCCC3)C21,CHEMBL3785955,5.61
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCC(O)C3)C21,CHEMBL3786545,5.46
+Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1,CHEMBL3786469,6.47
+c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3786899,6.65
+CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3786338,7.24
+CN1C(=O)c2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3786486,6.64
+CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3787051,7.13
+Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785560,7.16
+Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785095,6.86
+Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3785718,6.54
+Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2,CHEMBL3785728,6.41
+c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2,CHEMBL3785605,7.31
+c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2,CHEMBL3787174,6.54
+NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,CHEMBL3785839,6.97
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1797689,9.11
+O=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL3786675,9.16
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL3785854,7.61
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1c([nH]c2ccccc12)C3,CHEMBL3787016,8.24
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3787263,8.14
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1cc2ccccc2nc1C3,CHEMBL3787663,7.75
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C/C1=C\c1ccccc1,CHEMBL3786970,7.66
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)CC/C1=C\c1ccccc1,CHEMBL3786218,8.24
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C/C1=C/c1ccccc1,CHEMBL3785265,8.34
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)CC/C1=C/c1ccccc1,CHEMBL3786083,7.28
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O,CHEMBL3408737,9.96
+CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3809510,6.49
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3808415,8.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3808398,7.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3810104,7.82
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3810101,5.5
+COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1,CHEMBL1066,5.62
diff --git a/chembl_200/CHEMBL234.csv b/chembl_200/CHEMBL234.csv
new file mode 100644
index 0000000000000000000000000000000000000000..febc0ac309c6b31d1e6116c6a97c5d3cdca7b8d6
--- /dev/null
+++ b/chembl_200/CHEMBL234.csv
@@ -0,0 +1,3620 @@
+O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL340211,7.28
+O[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339033,6.43
+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,5.89
+O[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339963,6.9
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,6.48
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1,CHEMBL294458,5.16
+N#CC(C#N)=Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL294459,5.63
+N#CC(C#N)=Cc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]1,CHEMBL303538,4.51
+N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccccc2)CC1,CHEMBL440120,5.16
+N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL300553,5.12
+N#CC(C#N)=Cc1ccc(CN2CCN(c3ccccc3)CC2)[nH]1,CHEMBL293956,5.28
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1,CHEMBL80919,10.7
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1,CHEMBL78791,9.1
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCCC1,CHEMBL309979,8.35
+Cc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1,CHEMBL311575,8.37
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1)c1cccs1,CHEMBL309459,8.1
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1,CHEMBL430439,8.33
+Cc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL309336,7.71
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1)C1CCCCC1,CHEMBL310401,8.22
+CCCN(C(=O)C1CCCCC1)[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL78860,7.07
+O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1,CHEMBL78655,8.74
+O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1,CHEMBL311772,7.6
+Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)s1,CHEMBL76908,7.62
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1)C1CCCCC1,CHEMBL310680,7.82
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccsc1,CHEMBL309727,8.33
+Cc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1,CHEMBL80875,8.62
+Cc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCCCC4)CC3)CC2)cc1C,CHEMBL80615,8.28
+CN(C(=O)c1cccs1)[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL80315,8.38
+Cc1csc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)c1,CHEMBL312752,7.49
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1,CHEMBL309623,9.85
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1)C1CCCCC1,CHEMBL310204,8.3
+CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL78916,8.6
+O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1,CHEMBL80571,8.7
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccn3)CC2)CC1)c1cccs1,CHEMBL78406,8.37
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccco1,CHEMBL312430,8.85
+O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1,CHEMBL310158,7.72
+COc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1,CHEMBL310577,8.85
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccs1,CHEMBL78800,9.3
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCC1,CHEMBL78617,8.4
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1CCCCCC1,CHEMBL78195,8.32
+COc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1,CHEMBL312803,7.91
+Cc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1,CHEMBL309501,8.49
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL77411,7.66
+COc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1,CHEMBL78950,9.22
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1)c1cccs1,CHEMBL78368,8.7
+COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28607,5.41
+c1ccc2c(c1)CCN(Cc1cc3cccnc3[nH]1)C2,CHEMBL156896,5.96
+c1ccc(CCC2CCN(Cc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL156732,6.6
+COc1ccc(N2CCN(CCc3c[nH]c4ncccc34)CC2)cc1,CHEMBL347291,6.28
+C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112913,6.74
+Clc1ccc(N2CCN(CCc3cc4cccnc4[nH]3)CC2)cc1,CHEMBL347155,7.3
+c1ccc2c(c1)CCN(Cc1c[nH]c3ncccc13)C2,CHEMBL154286,6.77
+C1=C(/C=C/c2ccccc2)CCN(CCc2cc3cccnc3[nH]2)C1,CHEMBL154482,7.6
+C1=C(c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,CHEMBL2112912,8.0
+c1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL155207,5.89
+OC(COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL32402,6.27
+O[C@@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL31991,6.66
+O[C@H](COc1ccccc1)CN1CCC(Oc2ccccc2)CC1,CHEMBL282323,6.34
+Oc1ccccc1OCCNCc1ccccc1,CHEMBL101285,6.55
+CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1,CHEMBL99849,7.37
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2,CHEMBL300571,8.96
+Oc1cccc(OCCNCc2ccccc2)c1,CHEMBL64508,7.96
+Oc1cccc(N2CCN(Cc3ccccc3)CC2)c1,CHEMBL88365,7.54
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2,CHEMBL64553,8.58
+CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl,CHEMBL102490,7.56
+CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1Cl,CHEMBL99913,7.96
+Clc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1,CHEMBL84819,6.81
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL313620,8.77
+COc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL312877,6.89
+Clc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL87260,7.57
+CCCSc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL87478,8.89
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1,CHEMBL85441,8.82
+c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1,CHEMBL85972,7.82
+CN1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL85700,5.7
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1,CHEMBL314983,8.1
+Clc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL88058,7.74
+CN(C)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(C)C)cc3)nc3ccccc32)cc1,CHEMBL87625,6.84
+C(=C/Cn1c(-c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2)nc2ccccc21,CHEMBL83722,6.56
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL316222,7.46
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2CCCCCCn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL313257,6.88
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1,CHEMBL315560,7.59
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)nc3ccccc32)cc1,CHEMBL86249,7.72
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c(-c4ccc(OCCCN(CC)CC)cc4)nc4ccccc43)cc2)cc1,CHEMBL313692,6.74
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccccc3)nc3ccccc32)cc1,CHEMBL430242,6.88
+CCCCN(CCCC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CCCC)CCCC)cc3)nc3ccccc32)cc1,CHEMBL87716,8.1
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(C)nc3ccccc32)cc1,CHEMBL82564,5.92
+C(=C/Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc21,CHEMBL314663,8.05
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2CCCCn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL313147,7.55
+C(=C/Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc21)\Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc21,CHEMBL86129,8.0
+CCCN(CCC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCN(CCC)CCC)cc3)nc3ccccc32)cc1,CHEMBL315137,8.3
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C\Cn2c(-c3ccc(OCCCN(CC)CC)cc3)nc3ccccc32)cc1,CHEMBL314937,7.06
+CCN(CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(-c3ccc(OCCCC4CCCCC4)cc3)nc3ccccc32)cc1,CHEMBL316014,7.41
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL413343,6.49
+COc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL423440,5.68
+COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL168566,5.66
+COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL167414,6.24
+CNc1cc(OC)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL169222,7.33
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl,CHEMBL355566,6.24
+CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL354180,6.68
+CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168274,6.46
+CCC[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168611,6.51
+COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353090,5.96
+CCC[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL424575,7.51
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL353087,5.57
+CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL267044,7.167000000000001
+CNc1cc(OC)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL166587,6.44
+CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl,CHEMBL169193,6.96
+COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL167032,5.06
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1,CHEMBL169631,4.96
+COc1cc(N(C)C(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL168372,5.14
+CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC,CHEMBL168544,6.57
+C1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1,CHEMBL70267,5.35
+Clc1ccccc1CN1CC=C(c2nc3ccccc3s2)CC1,CHEMBL67982,5.85
+C1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1,CHEMBL71173,5.36
+Clc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1,CHEMBL305481,5.8
+Clc1ccc2sc(C3=CCN(Cc4ccccc4)CC3)nc2c1,CHEMBL71209,5.74
+Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4s3)CC2)cc1,CHEMBL70215,6.18
+Clc1ccc(CN2CC=C(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1,CHEMBL71216,6.05
+Clc1cccc(CN2CC=C(c3nc4ccccc4s3)CC2)c1,CHEMBL307869,6.2
+Clc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1,CHEMBL71324,5.54
+C1=C(c2nc3ccccc3s2)CCN(Cc2ccccc2)C1,CHEMBL69355,6.25
+Clc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1,CHEMBL69356,5.8
+c1ccc(N2CCN(CCCCCNC3=Nc4ccccc4OC3)CC2)cc1,CHEMBL541826,6.78
+N#Cc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CC2,CHEMBL305392,8.2
+CC(=O)Nc1ccc(CN2C[C@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1,CHEMBL413275,7.7
+N#Cc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21,CHEMBL292485,7.6
+c1ccc(CN2CC3COc4ccccc4C3C2)cc1,CHEMBL304856,6.9
+N#Cc1ccc2c(c1)C1CN(Cc3ccc(F)cc3)CC1CO2,CHEMBL64721,8.1
+N#Cc1ccc2c(c1)[C@@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CO2,CHEMBL66080,9.2
+CC(=O)Nc1ccc(CN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL65071,7.9
+N#Cc1ccc2c(c1)[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1CO2,CHEMBL65122,7.8
+Fc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL303979,8.1
+CS(=O)(=O)Nc1ccc(CCN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL443006,8.8
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccc(N)cc4)cc3)C[C@@H]1CO2,CHEMBL2112210,9.7
+N#Cc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@@H]1CO2,CHEMBL293159,8.6
+CCCN1CC2COc3ccc(C#N)cc3C2C1,CHEMBL436157,7.8
+Clc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL291417,7.8
+COc1ccc2c(c1)OCC1CN(Cc3ccccc3)CC21,CHEMBL59662,7.1
+N#Cc1ccc2c(c1)[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1CO2,CHEMBL64157,8.2
+N#Cc1ccc2c(c1)C1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)CC1CO2,CHEMBL277790,9.1
+CC(=O)Nc1ccc(CCN2C[C@@H]3c4cc(C#N)ccc4OC[C@H]3C2)cc1,CHEMBL418671,8.85
+COc1ccc2c(c1)C1CN(Cc3ccccc3)CC1CO2,CHEMBL294275,7.1
+CC(=O)Nc1ccc(CCN2C[C@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1,CHEMBL62823,8.5
+N#Cc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)C[C@H]1CO2,CHEMBL294515,8.2
+CC(=O)Nc1ccc(CN2C[C@@H]3c4cc(C#N)ccc4OC[C@H]3C2)cc1,CHEMBL62416,8.0
+CC(=O)Nc1ccc(CCN2CC3COc4ccc(C#N)cc4C3C2)cc1,CHEMBL61565,9.0
+CC(=O)c1ccc(C(=O)Nc2ccc(CCN3CC4COc5ccc(C#N)cc5C4C3)cc2)cc1,CHEMBL434403,9.1
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2,CHEMBL65280,9.5
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1,CHEMBL73665,9.7
+COc1ccc(OC)c(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c1,CHEMBL70866,8.5
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,CHEMBL71960,9.3
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL71894,8.2
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,CHEMBL294747,9.497
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1,CHEMBL423671,9.5
+CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL278751,8.265
+CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL161811,7.4
+CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,CHEMBL349843,6.77
+CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL27441,7.443
+CCCN[C@@H]1CCc2c(C(=O)OC)cccc2[C@@H]1C,CHEMBL161507,6.6
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@H]21,CHEMBL98305,8.54
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21,CHEMBL98836,8.45
+CCCN1CCOC2c3cc(O)ccc3S(=O)CC21,CHEMBL99355,7.54
+CCCN1CCO[C@H]2c3cc(O)ccc3SC[C@@H]21,CHEMBL98197,5.52
+CCCN1CCOC2c3cc(O)ccc3SCC21,CHEMBL330216,8.81
+COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC,CHEMBL340471,8.23
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC,CHEMBL308524,9.8
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC,CHEMBL2112607,9.68
+COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC,CHEMBL124612,9.35
+O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(Cl)cc1,CHEMBL177031,5.67
+O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(F)cc1,CHEMBL368061,5.69
+O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1,CHEMBL332154,6.37
+C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1,CHEMBL335545,7.78
+Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccc(O)cc4)C3)CC2)cc1,CHEMBL147159,8.47
+Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccccc4)C3)CC2)cc1,CHEMBL356269,7.25
+Oc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1,CHEMBL357416,9.28
+CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,CHEMBL836,9.55
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,7.21
+N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,CHEMBL2113718,6.14
+C(#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1)c1ccccc1,CHEMBL58662,6.17
+c1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1,CHEMBL294394,6.24
+C#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL57176,6.07
+c1ccc(-c2c[nH]c(CN3CCN(c4ccccc4)CC3)c2)cc1,CHEMBL60815,6.28
+Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7927,5.318
+N#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,CHEMBL56118,5.74
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL420997,5.92
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,7.23
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,5.85
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,5.54
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,5.51
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,8.34
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,5.55
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,5.92
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,6.17
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,5.68
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,6.23
+COc1c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL113471,6.12
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1,CHEMBL112831,5.3
+CNc1cc(OC)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl,CHEMBL447476,6.035
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL298875,6.84
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(I)c2ccccc12,CHEMBL325772,7.475
+COc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL325818,6.195
+C#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c2ccccc12,CHEMBL112833,7.085
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(C#Cc2ccccc2)c2ccccc12,CHEMBL109472,6.0
+CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl,CHEMBL112395,6.8
+COc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc(Br)c2ccccc12,CHEMBL321492,6.65
+COc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3,CHEMBL440506,6.23
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL92489,6.47
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1Cl)CC3,CHEMBL91067,5.58
+O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2,CHEMBL314095,6.5
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3,CHEMBL329126,6.31
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,CHEMBL91273,6.26
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3,CHEMBL90569,5.58
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,CHEMBL92373,5.56
+Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,CHEMBL314285,5.66
+COc1ccc2c3c(c(=O)oc2c1OC)CN(Cc1ccccc1)CC3,CHEMBL330100,5.89
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,CHEMBL328054,7.22
+COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3,CHEMBL91938,6.02
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1,CHEMBL58296,6.37
+Cc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1,CHEMBL293341,6.32
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1,CHEMBL61080,6.09
+Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1,CHEMBL444309,6.11
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(CCc2ccccc2)CC1,CHEMBL61079,5.92
+Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1,CHEMBL61195,7.095
+Cc1c(-c2ccccc2)nnn1C1CCN(Cc2ccccc2)CC1,CHEMBL284346,5.6
+Cc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1,CHEMBL279247,7.55
+c1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1,CHEMBL25938,5.85
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2ccccc2)CC1,CHEMBL25772,6.35
+Cc1cc(-c2ccccc2)n(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL24809,5.52
+Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL25887,5.66
+Cc1c(-c2ccccc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL281195,6.35
+c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1,CHEMBL23537,6.09
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL24051,6.09
+c1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1,CHEMBL24170,5.89
+c1ccc(CN2CCC(n3nnc(-c4ccccc4)n3)CC2)cc1,CHEMBL24539,5.85
+Cc1nn(C2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1,CHEMBL287412,6.92
+c1ccc(CN2CCC(n3cnc(-c4ccccc4)c3)CC2)cc1,CHEMBL287217,6.13
+Cc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1,CHEMBL26120,6.59
+Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(C#N)c2)CC1,CHEMBL24052,5.36
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL150181,6.06
+COc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL149497,6.37
+O=C1COc2ccc(CN3CCN(c4ccccc4)CC3)cc2N1,CHEMBL147130,6.08
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL151286,6.63
+Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL147059,6.07
+COc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL150129,5.75
+O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1,CHEMBL149233,7.98
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,CHEMBL151533,7.11
+Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL345552,5.6
+Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,CHEMBL150173,6.68
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.17
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@@H](CNCc1ccccc1)CC3,CHEMBL420986,9.4
+c1ccc(CNC[C@H]2CCc3ccc4[nH]ccc4c3O2)cc1,CHEMBL60185,7.47
+FC(F)(F)c1nc2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL313851,6.58
+O=c1[nH]c2ccc3c(c2[nH]1)O[C@H](CNCc1ccccc1)CC3,CHEMBL93753,7.09
+O=c1[nH]c2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3,CHEMBL93779,9.0
+O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,CHEMBL303556,8.62
+O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91621,6.15
+O=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1,CHEMBL91272,6.02
+Cc1c(-c2cccc(Cl)c2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94283,6.6
+Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL328739,6.85
+Cc1c(-c2ccccn2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91553,5.92
+Cc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1,CHEMBL92859,6.49
+Cc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL90005,7.42
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1,CHEMBL316125,5.96
+Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL94023,6.42
+COc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL450021,6.44
+O=C(Nc1nccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL328667,5.7
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91162,6.62
+Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL93432,7.82
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1,CHEMBL327176,5.72
+Cc1c(-c2ccccc2Cl)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL89971,6.66
+Cc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,CHEMBL263162,6.66
+Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL93969,6.74
+Cc1c(-c2ccc(F)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL92189,6.03
+Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O,CHEMBL91669,6.82
+Cc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,CHEMBL91821,5.44
+CCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1,CHEMBL91498,6.89
+O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1,CHEMBL93958,6.2
+CCCN(CCC)C1CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1,CHEMBL164736,5.55
+CCCN(CCC)C1CCC(=C(C#Cc2ccccc2)C#Cc2ccccc2)CC1,CHEMBL165171,5.74
+CCCN(CCC)C1CCC(=CC#N)CC1,CHEMBL350161,4.89
+CCCN(CCC)C1CC=C(C#N)CC1,CHEMBL164631,4.89
+CCCN(CCC)C1CCC(=C(C#N)C#N)CC1,CHEMBL164950,5.8
+CCCN(CCC)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL166325,5.46
+C#CC(C#C)=C1CCC(N(CCC)CCC)CC1,CHEMBL165022,5.36
+Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL131484,6.75
+Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl,CHEMBL131997,8.41
+COc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128276,6.43
+c1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL129931,7.77
+Cc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL128647,6.77
+Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,CHEMBL129757,7.01
+Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,CHEMBL341225,5.77
+Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1,CHEMBL131357,6.63
+Clc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132884,7.51
+Cc1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL131299,7.18
+Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1,CHEMBL130370,6.63
+Cc1ccc(OCCNCCCOc2ccccc2)cc1C,CHEMBL129927,7.14
+Cc1ccc(OCCNCCCOc2ccccc2C)cc1,CHEMBL334545,6.42
+O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL132455,6.46
+Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1,CHEMBL435598,6.72
+Oc1ccc(OCCNCCCOc2ccccc2)cc1,CHEMBL22892,6.63
+Cc1ccc(CCCNCCCOc2ccccc2)cc1,CHEMBL334989,6.46
+Clc1ccccc1OCCNCCCOc1ccccc1,CHEMBL131396,7.77
+Clc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL337627,7.02
+c1ccc(OCCCNCCOc2ccccc2)cc1,CHEMBL128524,6.87
+Cc1ccc(OCCNCCCSc2ccccc2)cc1,CHEMBL130402,7.25
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,6.52
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,7.1
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,7.18
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,6.03
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,6.96
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1,CHEMBL127411,5.43
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,7.64
+Clc1ccc(N2CCN(Cc3cccn4nccc34)CC2)cc1,CHEMBL90374,4.92
+Clc1ccc(N2CCN(Cc3cccc4ccnn34)CC2)cc1,CHEMBL88937,5.0
+Clc1ccc(N2CCN(Cc3ccc4ccnn4c3)CC2)cc1,CHEMBL432059,5.31
+CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL91362,4.92
+OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL328925,4.64
+Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,CHEMBL431367,9.4
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1,CHEMBL109063,8.15
+C(#Cc1cccnc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL108463,7.7
+C(#Cc1ccncc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL110489,8.19
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1,CHEMBL109101,8.59
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,6.84
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL309118,7.44
+c1ccc(N2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1,CHEMBL324896,5.62
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL322179,6.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,CHEMBL419505,9.05
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL108527,6.77
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,CHEMBL110411,8.85
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,CHEMBL267562,6.56
+CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL310310,5.27
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL108637,5.84
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL67750,6.96
+OC1CCc2c(c3ccccc3n2CCCN2CCN(c3ccccc3)CC2)C1,CHEMBL110120,5.4
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,6.66
+Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1,CHEMBL323997,6.67
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL307800,7.72
+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL306672,8.11
+Fc1ccc(C(OCCOC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1,CHEMBL110435,5.6
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL69717,8.39
+O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,CHEMBL302796,6.47
+CN1C2CCC1CC(OC1c3ccccc3Cc3ccccc31)C2,CHEMBL320114,6.71
+CCN(CC)CCOCCOC1(c2ccccc2)CCCC1,CHEMBL108495,5.21
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,7.86
+C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL417249,6.89
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL68860,7.62
+Clc1cccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)c1,CHEMBL106660,7.14
+O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL68720,7.55
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1Cc1ccccc1-2,CHEMBL110349,6.37
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,CHEMBL12004,6.95
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1,CHEMBL109299,7.27
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12375,7.2
+Oc1ccc2c(c1)O[C@@H](CN1CCc3ccccc3C1)CC2,CHEMBL135044,9.7
+Oc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2,CHEMBL135357,8.47
+Oc1cc2c(cc1Cl)CC[C@@H](CNCc1ccccc1)O2,CHEMBL134343,7.71
+Oc1ccc2c(c1)OC(CNCc1ccccc1)CC2,CHEMBL135395,8.08
+Oc1ccc2c(c1)O[C@H](CNCc1ccccc1)CC2,CHEMBL138016,7.56
+Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2,CHEMBL135725,9.0
+CN1CCN(Cc2cnn3ccccc23)CC1,CHEMBL7505,4.47
+Ic1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL7508,5.17
+Clc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)c1,CHEMBL269202,6.25
+O=C(c1cnn2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL7441,4.21
+Clc1ccc(N2CCN(Cc3cnn4ccc5ccccc5c34)CC2)cc1,CHEMBL268558,5.28
+Clc1ccc(N2CCN(Cc3cnc4ccccn34)CC2)cc1,CHEMBL7686,5.28
+Clc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL7506,6.64
+c1ccn2ncc(CN3CCN(C4CCCCC4)CC3)c2c1,CHEMBL268190,5.26
+Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL268799,6.595
+Clc1ccc(N2CCN(Cc3cnn4c3ccc3ccccc34)CC2)cc1,CHEMBL269576,4.68
+Clc1ccc(N2CCN(Cc3cnn4c3CCCC4)CC2)cc1,CHEMBL7442,5.96
+c1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL273860,5.8
+Clc1ccc(N2CCN(Cc3cnc4ncccn34)CC2)cc1,CHEMBL267853,5.18
+COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL49231,6.57
+O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,CHEMBL298763,6.75
+Cc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1,CHEMBL300956,6.42
+N#Cc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL49876,6.22
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,CHEMBL45244,5.55
+Cc1cccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL298166,6.33
+Cc1ccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)cc1,CHEMBL51536,7.31
+COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1,CHEMBL51023,6.76
+COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1,CHEMBL296506,5.61
+N#Cc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,CHEMBL49502,5.64
+O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,CHEMBL296953,7.18
+COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,CHEMBL48819,5.84
+O=C(NCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,CHEMBL295094,6.44
+COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,CHEMBL48807,5.61
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL139600,7.19
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,CHEMBL143352,7.7
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL140968,7.29
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1,CHEMBL141419,9.17
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,CHEMBL342060,8.55
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[te]1,CHEMBL337531,9.26
+COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL357684,6.19
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,CHEMBL336930,8.37
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL423735,7.74
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL424294,9.64
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,CHEMBL344677,7.54
+COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL139722,6.6
+COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1,CHEMBL141845,6.44
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,8.978
+Oc1cc2c(cc1Cl)CCC(CNCc1ccccc1)O2,CHEMBL337228,8.3
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,8.27
+CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1,CHEMBL310867,9.27
+CCCN1CCc2nn3ccccc3c2C1,CHEMBL80845,7.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)=O)cc2)CC1,CHEMBL126474,9.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1,CHEMBL126948,8.6
+COc1ccccc1N1CCN(CCCCNC(=O)C2CC2c2ccccc2)CC1,CHEMBL127114,7.81
+COc1ccc(/C=C/C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL127311,9.42
+COc1ccccc1N1CCN(CCCNC(=O)c2ccccc2I)CC1,CHEMBL263058,6.67
+COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1,CHEMBL125525,8.48
+COc1ccccc1N1CCN(CCCCNC(=O)CCc2ccccc2)CC1,CHEMBL340173,8.32
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1,CHEMBL126128,9.48
+COc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,CHEMBL127807,7.0
+COc1ccccc1N1CCN(C2CC3CC(N4CCN(c5ccccc5OC)CC4)CC3C2)CC1,CHEMBL126277,6.15
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL127230,8.0
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(I)c2)CC1,CHEMBL338841,8.92
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1,CHEMBL338063,8.89
+O=C(NCCCCN1CCC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL99198,9.0
+COc1ccccc1N1CCN(C2CC3CC(NC4CC5CC(N6CCN(c7ccccc7OC)CC6)CC5C4)CC3C2)CC1,CHEMBL341481,6.45
+COc1ccccc1N1CCN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1,CHEMBL127080,7.38
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1,CHEMBL126136,8.11
+COc1ccc2cc([C@H](C)C(=O)NCCCN3CCN(c4ccccc4OC)CC3)ccc2c1,CHEMBL126331,6.58
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(I)cc2)CC1,CHEMBL340712,9.3
+COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL127979,6.25
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc(I)c2)CC1,CHEMBL129606,6.52
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL126439,8.32
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1,CHEMBL129429,8.67
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(Oc3ccccc3)c2)CC1,CHEMBL126342,7.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2nccc3ccccc23)CC1,CHEMBL126892,8.02
+COc1ccccc1N1CCN(CCCNC(=O)Cc2cccc3ccccc23)CC1,CHEMBL126656,6.97
+COc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL126441,9.25
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1,CHEMBL421085,8.88
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL126632,7.42
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1,CHEMBL127029,8.2
+COc1ccccc1N1CCN(CCCCN2C(=O)C=C(c3ccccc3)C2=O)CC1,CHEMBL129502,6.49
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(I)c2)CC1,CHEMBL126502,8.04
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1,CHEMBL126746,7.8
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc3c2OCO3)CC1,CHEMBL125459,9.26
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccco2)CC1,CHEMBL341299,9.22
+COc1ccccc1N1CCN(CCCCNC(=O)c2sc3ccccc3c2Cl)CC1,CHEMBL126313,8.17
+COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL339103,7.49
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(F)cc2)CC1,CHEMBL338606,9.315
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1,CHEMBL127038,9.0
+COc1ccccc1N1CCN(CCCNC(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL128133,6.85
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL129465,9.13
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C=O)cc2)CC1,CHEMBL339062,9.14
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(Cl)c2)CC1,CHEMBL127912,9.34
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccs2)CC1,CHEMBL338552,9.23
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cc4ccccc4cc3C2=O)CC1,CHEMBL125580,7.63
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1,CHEMBL27254,8.41
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1,CHEMBL125676,7.99
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccsc2)CC1,CHEMBL126280,9.19
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Br)cc2)CC1,CHEMBL341134,9.37
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1,CHEMBL340851,7.71
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1,CHEMBL415520,8.39
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(/C=C/C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2)CC1,CHEMBL129035,8.44
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL126258,9.3
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL129022,8.83
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C#N)cc2)CC1,CHEMBL341241,9.34
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccnc2)CC1,CHEMBL341542,9.3
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/C=C/c2ccccc2)CC1,CHEMBL129767,8.82
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CHEMBL126285,7.54
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1,CHEMBL127288,8.1
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2I)CC1,CHEMBL340608,9.12
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cc(I)c(OC)c(OC)c2)CC1,CHEMBL127923,7.83
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1,CHEMBL126749,9.17
+COc1ccccc1N1CCN(Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL126312,6.12
+COc1ccccc1N1CCN(C2CC3CC(NC(=O)c4ccc5ccccc5c4)CC3C2)CC1,CHEMBL340313,7.43
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2Cl)CC1,CHEMBL127654,9.28
+COc1ccccc1N1CCN(Cc2ccccc2CNC(=O)/C=C/c2ccccc2)CC1,CHEMBL127234,6.49
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(I)cc2)CC1,CHEMBL421667,6.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,CHEMBL126834,8.53
+COc1ccccc1N1CCN(Cc2ccc(CNC(=O)c3ccc4ccccc4c3)cc2)CC1,CHEMBL339620,7.4
+COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1,CHEMBL126725,9.36
+Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160932,4.68
+Cc1nn2c(-c3ccc(F)cc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160749,5.42
+Clc1ccc(N2CCN(Cc3cnn4c(N5CCN(Cc6ccccc6)CC5)cccc34)CC2)cc1,CHEMBL160266,6.39
+N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160626,4.59
+OCc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn2c1,CHEMBL345357,5.59
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160952,5.34
+Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL423247,5.425
+C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(C)nn12,CHEMBL156851,4.77
+Cc1nn2c(N3CCN(Cc4ccccc4)CC3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL160536,6.57
+Clc1ccc(N2CCN(Cc3cnn4c(-c5ccccc5)cccc34)CC2)cc1,CHEMBL155913,6.08
+C[Si](C)(C)c1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL160454,5.7
+Cc1nn2c(-c3ccccc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL351550,5.51
+O=Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,CHEMBL346805,5.23
+Cc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,CHEMBL156369,5.03
+Fc1ccc(-c2cccc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cnn23)cc1,CHEMBL156198,5.24
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1,CHEMBL108531,7.62
+Nc1cccc(C#CCCN2CC=C(c3ccccc3)CC2)c1,CHEMBL108532,9.44
+c1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59103,7.02
+c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL59324,6.55
+CC1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL57478,5.17
+Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1,CHEMBL77395,6.25
+CCCNC1CCc2c(cccc2OC)C1,CHEMBL135152,6.87
+CCCN(CCC)C1CCc2c(cccc2OC)C1,CHEMBL11615,6.28
+CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL336295,6.95
+CCCN(CCc1cccs1)C1CCc2c(cccc2OC2CCCC2)C1,CHEMBL132261,6.68
+CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1,CHEMBL134747,8.7
+CCNC1CCc2c(cccc2OC)C1,CHEMBL134759,6.3
+NC1CCc2c(O)cccc2C1,CHEMBL441092,6.46
+CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1,CHEMBL7806,8.74
+NC1CCc2ccc(O)cc2C1,CHEMBL133830,8.29
+CCCN(CCC)[C@H]1CCc2ccc(OC)cc2C1,CHEMBL135944,6.58
+CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1,CHEMBL305706,7.24
+CCCN[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL335971,5.86
+CCCN(C)C1CCc2ccc(O)cc2C1,CHEMBL335392,9.13
+CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1,CHEMBL135954,9.12
+CCCN(CCC)[C@@H]1CCc2ccc(OC)cc2C1,CHEMBL134326,6.19
+CCCNC1CCc2c(O)cccc2C1,CHEMBL334472,9.12
+CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1,CHEMBL109684,8.47
+CCCNC1CCc2ccc(O)cc2C1,CHEMBL336652,9.18
+COc1cccc2c1CCC(N)C2,CHEMBL30560,6.17
+CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1,CHEMBL133938,6.81
+COc1cccc2c1CCC(N(C)C)C2,CHEMBL134866,6.44
+CN(C)C1CCc2ccc(O)cc2C1,CHEMBL135932,8.85
+CCCN[C@H]1CCc2ccc(OC)cc2C1,CHEMBL336962,5.51
+CCN(C)C1CCc2ccc(O)cc2C1,CHEMBL134571,9.15
+COc1ccc2c(c1)CC(N)CC2,CHEMBL422274,5.65
+CCN(CC)C1CCc2c(cccc2OC)C1,CHEMBL134701,6.07
+CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1,CHEMBL15146,7.12
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,9.27
+CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,CHEMBL1303,8.4
+CNC1CCc2c(cccc2OC)C1,CHEMBL135048,6.39
+CCCCNC1CCc2c(cccc2OC)C1,CHEMBL131851,6.22
+c1ccc(-c2ncc(CN3CCN(c4cccnc4)CC3)[nH]2)cc1,CHEMBL321513,6.54
+c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1,CHEMBL99967,5.82
+Cc1nc(-c2ccccc2)[nH]c1CN1CCN(c2ncccn2)CC1,CHEMBL415014,5.53
+c1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)[nH]2)cc1,CHEMBL103871,6.71
+O=C1NC(CCN2CCN(c3ccccc3)CC2)c2ccccc21,CHEMBL34239,5.57
+Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,CHEMBL38262,5.57
+CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,CHEMBL285802,7.995
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,8.12
+N#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1,CHEMBL344602,4.48
+N#Cc1ccc2cc(CN3CCN(c4ccccc4Cl)CC3)[nH]c2c1,CHEMBL140258,6.04
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1,CHEMBL344270,6.06
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4Cl)CC3)c2c1,CHEMBL143355,6.26
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,CHEMBL140165,5.28
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1,CHEMBL142217,5.36
+N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL342001,5.19
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1,CHEMBL143761,4.82
+N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1,CHEMBL141035,5.77
+N#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1,CHEMBL343880,5.51
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2c1,CHEMBL140006,4.7
+N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1,CHEMBL140099,5.77
+N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,CHEMBL140594,4.89
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL106737,6.01
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,5.66
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51433,7.14
+Cc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL558036,6.53
+Fc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL554016,8.0
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1,CHEMBL544925,7.8
+C(=C/c1cc(CCCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543277,7.57
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)c(OC)c1,CHEMBL543278,8.19
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4OC)CC3)on2)cc1OC,CHEMBL541025,8.28
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL544689,8.02
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL541270,8.22
+c1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL541524,7.82
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c1,CHEMBL538977,7.22
+COc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1,CHEMBL539744,7.82
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4F)CC3)on2)cc1OC,CHEMBL554897,7.7
+c1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL538474,7.74
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1,CHEMBL542809,8.05
+c1ccc(C(c2ccccc2)N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL543040,7.28
+O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c1,CHEMBL553810,7.72
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1,CHEMBL538723,8.59
+c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1,CHEMBL542324,7.82
+COc1ccccc1N1CCN(CCCCc2cc(-c3ccc(F)cc3)no2)CC1,CHEMBL544220,7.64
+Cc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL544451,6.79
+C(=C/c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1)\c1ccccc1,CHEMBL543041,7.4
+Fc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1,CHEMBL539235,7.92
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c(OC)c1,CHEMBL542573,7.8
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL557829,8.41
+COc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1,CHEMBL542325,8.33
+CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1,CHEMBL537975,7.72
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1OC,CHEMBL557409,7.62
+COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4C)CC3)on2)cc1OC,CHEMBL541791,7.42
+Fc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,CHEMBL539999,7.52
+COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC,CHEMBL542571,7.7
+Fc1cccc2c1CC[C@@H](NCc1ccccc1)C2,CHEMBL141537,5.98
+CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1,CHEMBL69985,8.06
+CCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL139345,7.45
+O=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL139089,8.31
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1,CHEMBL138998,9.6
+CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1,CHEMBL345087,6.7
+N[C@@H]1CCc2c(F)cccc2C1,CHEMBL138792,6.82
+CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1,CHEMBL65847,7.62
+CC(C)N[C@@H]1CCc2c(F)cccc2C1,CHEMBL342630,5.84
+CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1,CHEMBL141510,8.35
+CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL141511,6.8
+O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1,CHEMBL315864,7.25
+O=C1Cc2c(ccc(Cl)c2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL330108,6.23
+O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1,CHEMBL314952,8.27
+c1ccc(CN2CCN(c3cccc4[nH]cnc34)CC2)cc1,CHEMBL88837,6.06
+c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1,CHEMBL328051,7.45
+Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12,CHEMBL90476,7.25
+FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,CHEMBL88289,7.83
+Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1,CHEMBL311539,7.02
+COc1ccc(Br)cc1-c1ncc(CNC[C@@H]2CCN(Cc3ccccc3)C2)[nH]1,CHEMBL64566,5.89
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,CHEMBL64376,5.69
+c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL64043,5.28
+c1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1,CHEMBL302186,5.64
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111525,7.08
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1,CHEMBL294780,5.4
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)co1,CHEMBL293225,6.24
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL62602,7.19
+COc1ccc(Br)cc1-c1nc(CNCC2CCN(Cc3ccccc3)C2)cs1,CHEMBL2111528,6.66
+COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64668,5.92
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL64288,6.18
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1,CHEMBL64696,5.98
+COc1ccc(Br)cc1-c1nc(CNCC[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL65641,6.92
+Oc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,CHEMBL62996,5.12
+COc1ccc(Br)cc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1,CHEMBL64752,5.77
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1,CHEMBL62624,6.69
+COc1c(-c2nc(CNC[C@@H]3CCN(Cc4ccccc4)C3)co2)cc(Br)c2ccccc12,CHEMBL62601,5.23
+COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1,CHEMBL64325,5.92
+c1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL59702,5.21
+COc1ccc(Br)cc1-c1nc(CNCCC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111527,7.12
+COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cs1,CHEMBL64139,6.94
+c1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1,CHEMBL62703,5.08
+COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)cs1,CHEMBL293645,6.19
+c1ccc(CN2CC[C@@H](CNCc3csc(-c4ccccc4)n3)C2)cc1,CHEMBL59749,6.12
+COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)C2)co1,CHEMBL2111526,5.73
+CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O,CHEMBL8946,9.835
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,8.33
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,7.37
+CCCN(CCC)C1CCc2cc3c(cc2C1)OCC3,CHEMBL140184,7.895
+CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1,CHEMBL136814,6.37
+CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL341578,7.36
+CC(=O)NCC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL136298,5.0
+Cc1ccc2c(c1)Sc1c(ccc3ccccc13)N2CCCN(C)C,CHEMBL343517,5.85
+CCCN(CCC)CCC(O)c1cc2c(c3ccccc13)CCCC2,CHEMBL138570,5.9
+CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CC1C,CHEMBL136161,5.0
+Cc1ccc(C)c2c1Sc1c(ccc3ccccc13)N2CCCN(C)C,CHEMBL136629,6.35
+OC(CCCN1CCN2CCc3[nH]c4ccccc4c3C2C1)c1ccc(F)cc1,CHEMBL336694,5.62
+O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL13828,7.2
+O=C(CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccc(F)cc1,CHEMBL136711,7.96
+O=C(CCCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL341774,7.08
+CCOc1ccc(NC(=O)C2CCCN(CCc3ccccc3)C2)cc1,CHEMBL139203,5.0
+c1ccc2c3c([nH]c2c1)CCN1CCN(CCc2ccncc2)CC31,CHEMBL136529,5.0
+CCCCCN1CCN(C(CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1,CHEMBL139437,5.0
+O=C(OC1(c2nccc3ccccc23)CCN(CCc2ccccc2)CC1)c1ccccc1,CHEMBL134526,6.0
+CCCCN(CCCC)Cc1c(C)[nH]c2cc(OC)ccc2c1=O,CHEMBL139251,5.0
+O=C(CCCCN1CCN2c3ccccc3CCC2C1)c1ccccc1,CHEMBL136961,6.53
+CCCCN(CC)CC(C(C)=O)C1C(=O)OC2C=CC=CC2C1=O,CHEMBL136413,5.0
+CCCCN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1,CHEMBL341574,6.0
+CCN(CC)CCCN(C)Cc1c(-c2ccccc2)oc(-c2ccccc2)c1Cl,CHEMBL442214,5.86
+CCCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1,CHEMBL92787,5.58
+CCCCN1CN(CCCC)CN(C(=S)c2c(Cl)cccc2Cl)C1,CHEMBL136578,5.0
+CCCN(CCC)CN1C(=O)c2ccccc2C1=O,CHEMBL136543,5.0
+O=C(CCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL345106,6.33
+CCCN(CCC#N)CN1C(=O)c2ccccc2C1=O,CHEMBL345034,5.0
+CCn1c2ccccc2c2cc(NCCCN(C)C)ccc21,CHEMBL136530,5.0
+N#CCCN(CCCN1CCOCC1)CN1C(=O)c2ccccc2C1=O,CHEMBL343536,5.0
+CCCCN1CSC(=S)N(Cc2ccccc2)C1,CHEMBL136906,5.0
+CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C,CHEMBL433002,7.57
+CCCN1CCCC(c2cccc(O)c2)C1,CHEMBL276500,6.807
+CCCN1CCOC2c3cc(O)ccc3OC[C@H]21,CHEMBL335570,8.96
+Cc1cc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL422788,7.72
+Cc1c(C)c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL120661,7.35
+O=c1ccc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2o1,CHEMBL120590,7.3
+C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL325104,5.1
+c1ccc(CN2CCC(n3ccc(-c4cnco4)c3)CC2)cc1,CHEMBL107529,5.17
+C(#Cc1cccn1C1CCN(Cc2ccccc2)CC1)c1ccccc1,CHEMBL104092,5.06
+c1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1,CHEMBL104453,6.11
+O=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL422959,4.51
+c1ccc(CN2CCC(n3cccc3)CC2)cc1,CHEMBL326877,4.82
+O=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL109173,5.6
+C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL108160,5.11
+N#CC(C#N)=Cc1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL326864,5.29
+Ic1cccn1C1CCN(Cc2ccccc2)CC1,CHEMBL106635,5.59
+N#CC(C#N)=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,CHEMBL104201,5.15
+Oc1ccc2c(c1)OC(CN1CCc3ccccc3C1)CC2,CHEMBL134808,9.3
+COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,CHEMBL29336,6.14
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Cl)c2ccccc12,CHEMBL416939,7.28
+CCOc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL29649,6.585
+COc1c(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc(Br)c2ccccc12,CHEMBL283034,6.485
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(C#N)c2ccccc12,CHEMBL282083,6.88
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,CHEMBL442535,7.4
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc2ccccc12,CHEMBL284896,6.57
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL30208,7.61
+COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,CHEMBL285816,6.88
+COc1c(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc(Br)c2ccccc12,CHEMBL28964,7.19
+COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,CHEMBL29610,6.595
+COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,CHEMBL30146,7.11
+COc1c(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc(Br)c2ccccc12,CHEMBL29182,7.3
+COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,CHEMBL29435,6.19
+COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,CHEMBL29849,6.19
+COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,CHEMBL29436,7.62
+COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,CHEMBL287443,6.14
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL287198,8.1
+COc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,CHEMBL30206,7.405
+c1ccc(C2=NCC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL352925,4.89
+CCCN(CCC)[C@H]1CCn2ccc(C)c2C1,CHEMBL97283,6.145
+CCCN(CCC)[C@H]1CCn2ccc(C=O)c2C1,CHEMBL98563,5.44
+CCCN(CCC)[C@@H]1CCn2ccc(C=O)c2C1,CHEMBL97319,6.295
+CCCN(CCC)[C@@H]1CCn2cccc2C1,CHEMBL318924,6.015
+CCCN(CCC)[C@H]1CCn2ccc(CO)c2C1,CHEMBL96998,5.01
+CCCN(CCC)[C@H]1CCn2c(CO)ccc2C1,CHEMBL95230,6.38
+CCCN(CCC)[C@@H]1CCn2c(C=O)ccc2C1,CHEMBL97436,5.74
+CCCN(CCC)[C@H]1CCn2cc(CO)cc2C1,CHEMBL97348,5.07
+CCCN(CCC)[C@@H]1CCn2c(C)ccc2C1,CHEMBL440143,6.22
+CCCN(CCC)[C@@H]1CCn2cc(CO)cc2C1,CHEMBL98071,5.85
+CCCN(CCC)[C@H]1CCn2cc(C)cc2C1,CHEMBL98072,6.105
+CCCN(CCC)[C@@H]1CCn2ccc(CO)c2C1,CHEMBL95618,6.485
+CCCN(CCC)[C@@H]1CCn2cc(C)cc2C1,CHEMBL323557,5.965
+CCCN(CCC)[C@H]1CCn2c(C)ccc2C1,CHEMBL96958,6.375
+CCCN(CCC)[C@@H]1CCn2ccc(C)c2C1,CHEMBL97750,5.76
+CCCN(CCC)CC1CCc2ccsc2C1,CHEMBL103912,7.22
+CCCN(CCc1ccsc1)CCc1cccs1,CHEMBL103441,6.93
+Oc1ccc2c(c1)C1OCCN(CCc3ccccc3)C1CC2,CHEMBL316584,5.81
+CCCN(CCc1ccsc1)CCc1ccsc1,CHEMBL105623,6.97
+CCCN1CC(c2ccccc2)OC2c3cc(O)ccc3CCC21,CHEMBL322638,7.92
+CCCN1CCOC2c3cc(O)ccc3CCC21,CHEMBL102582,9.68
+c1cc2c(s1)CCC1NCCOC21,CHEMBL319051,5.52
+CCCN(CCC)C1CCc2sccc2C1,CHEMBL103622,7.4
+CCCN(CCC)C1CCc2ccsc2C1,CHEMBL103857,7.55
+CCCN1CCOC2c3ccsc3CCC21,CHEMBL102632,6.62
+Oc1ccc2c(c1)C1OCCN(CCc3cccs3)C1CC2,CHEMBL102414,7.08
+CCCN(CCC)CC1CCc2sccc2C1,CHEMBL104135,6.61
+CCCN(CCC)[C@@H]1Cc2cccc(O)c2C[C@H]1C,CHEMBL15136,9.27
+CCCN(CCC)C1CCc2nc(N)sc2C1,CHEMBL105512,8.72
+CCCN(CCC)C1CCc2[nH]ncc2C1,CHEMBL318740,7.44
+CCCN(CCC)C1CCc2ncccc2C1,CHEMBL105977,8.3
+CCCN(CCC)C1CCc2cc(OC)ccc2C1,CHEMBL106047,6.44
+CCCN(CCC)C1CCc2nc(OC)ccc2C1,CHEMBL105509,6.8
+CCCN(CCC)C1CCc2nc(N)ccc2C1,CHEMBL110888,9.06
+COc1ccc(Br)cc1C1=NCC[C@@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL353220,5.72
+O=C1C[C@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168571,4.92
+c1ccc(C2=NCC[C@@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL169562,4.92
+O=C1C[C@@H](CN2CCN(c3ccccc3)CC2)NC(c2ccccc2)=N1,CHEMBL168541,4.7
+c1ccc(C2=NCC[C@H](N3CCN(c4ccccc4)CC3)CN2)cc1,CHEMBL354748,5.48
+COc1ccc(Br)cc1C1=NCC[C@H](CN2CCN(c3ccccc3)CC2)N1,CHEMBL169889,5.13
+c1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL423499,7.54
+c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL540039,5.1
+c1ccc(C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CS2)cc1,CHEMBL82527,5.92
+c1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1,CHEMBL169459,4.89
+c1ccc(CNCCOc2cccc3nc[nH]c23)cc1,CHEMBL89420,7.17
+FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,CHEMBL86504,7.38
+c1ccc(CNCCOc2cccc3n[nH]cc23)cc1,CHEMBL87137,8.06
+O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL314174,8.39
+c1ccc(CNCCOc2cccc3[nH]ccc23)cc1,CHEMBL64283,7.71
+FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87192,8.94
+S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL327782,8.7
+S=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL89037,7.91
+O=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1,CHEMBL329398,8.13
+Cc1nc2cccc(OCCNCc3ccccc3)c2[nH]1,CHEMBL87067,7.02
+O=C1Cc2c(cccc2OCCNCc2ccccc2)N1,CHEMBL59752,8.55
+O=C(NCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1)c1ccccc1,CHEMBL422883,7.25
+C#CCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL158013,7.85
+N#CCCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL346512,7.3
+O=C(NCCCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1)c1ccccc1,CHEMBL156816,6.12
+C#CCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL157035,8.44
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156639,8.785
+CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156689,8.95
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2C1,CHEMBL157036,8.65
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,6.59
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,5.45
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,7.0
+Fc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL349034,7.32
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cccnc4)CC3)CC2)nc1,CHEMBL164723,8.33
+c1ccc(N2CCN(C[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165664,7.05
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)nc1,CHEMBL355371,7.59
+c1ccc(N2CCN(C3CCC(Nc4ncccn4)CC3)CC2)cc1,CHEMBL2110308,6.235
+c1cnc(N[C@H]2CC[C@H](CCN3CCc4ccccc4C3)CC2)nc1,CHEMBL165440,7.4
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165679,7.86
+COc1ccccc1N1CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)CC1,CHEMBL164792,7.96
+COc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL351617,7.49
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ncccn4)CC3)CC2)nc1,CHEMBL349980,6.23
+Clc1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1Cl,CHEMBL350352,8.3
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccncc4)CC3)CC2)nc1,CHEMBL166151,5.64
+FC(F)(F)c1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1,CHEMBL165056,7.49
+C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1,CHEMBL164604,8.43
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncnc5ccccc45)CC3)CC2)cc1,CHEMBL349426,10.7
+c1ccc(N2CCN(CC[C@H]3CC[C@@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL3084971,7.54
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1,CHEMBL165689,6.68
+c1ccc(N2CCN(CCC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165140,7.27
+CN(c1ncccn1)[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL165047,7.62
+CCCN(CCC)CC[C@H]1CC[C@H](Nc2ncccn2)CC1,CHEMBL165381,6.1
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,8.8
+Clc1ccc(-c2cc(C3CCCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL80833,6.62
+CC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1,CHEMBL80207,5.89
+Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL309901,6.37
+O=C(C=C(O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,CHEMBL2112285,6.29
+Cc1c(-c2ccccc2)n[nH]c1C1=CCN(CCc2ccccc2)CC1,CHEMBL80318,6.08
+Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(Cc3ccccc3)CC2)n1,CHEMBL78923,6.85
+CCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1,CHEMBL78933,7.34
+Clc1ccc(-c2cc(C3CCN(CC4CCCCC4)CC3)[nH]n2)cc1,CHEMBL420954,6.14
+c1ccc(CCN2CCC3(CCc4c(-c5ccccc5)n[nH]c43)CC2)cc1,CHEMBL311832,6.22
+Cc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1,CHEMBL80722,5.96
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1,CHEMBL76090,6.8
+Cc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1,CHEMBL77015,5.47
+c1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1,CHEMBL310819,5.44
+CC1(C(O)=CC(=O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,CHEMBL2112284,6.29
+Clc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1,CHEMBL77017,6.06
+Clc1ccc(-c2cc(C3CCCCN3Cc3ccccc3)[nH]n2)cc1,CHEMBL80863,5.74
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1,CHEMBL76355,6.04
+Clc1ccc(-c2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]n2)cc1,CHEMBL78287,5.37
+c1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1,CHEMBL77744,5.92
+c1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1,CHEMBL77743,5.96
+c1ccc(CCN2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1,CHEMBL310985,5.92
+c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1,CHEMBL77148,5.68
+Clc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1,CHEMBL312255,5.89
+CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1,CHEMBL118636,7.96
+CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1,CHEMBL325710,8.85
+CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1,CHEMBL116372,6.29
+CCCN(CCC)C1COc2c(ccc3sc(N)nc23)C1,CHEMBL332677,5.85
+COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc2ccccc2c1Br,CHEMBL354574,6.5
+CCOc1c(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc(Br)c2ccccc12,CHEMBL166557,7.1
+COc1ccc(Br)cc1C(=O)NCCN1CCN(c2ccccc2)CC1,CHEMBL169090,6.5
+COc1c(C(=O)NCCN2CCN(c3ccccc3C#N)CC2)cc(Br)c2ccccc12,CHEMBL355444,7.3
+CCc1cc(Cl)c(O)c(C(=O)NCCN2CCN(c3ccccc3)CC2)c1OC,CHEMBL168691,5.8
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3C)CC2)cc(Br)c2ccccc12,CHEMBL169229,7.3
+COc1c(C(=O)NCCN2CCC(c3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL168678,7.1
+COc1c(C(=O)NCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(Br)c2ccccc12,CHEMBL169832,6.7
+COc1c(Cl)cc(Cl)c(O)c1C(=O)NCCN1CCN(c2ccccc2)CC1,CHEMBL352905,6.0
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Cl)c2ccccc12,CHEMBL436447,7.4
+CCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12,CHEMBL169450,7.1
+COc1c(C(=O)NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c2ccccc12,CHEMBL353642,6.6
+COc1c(C(=O)NCCN2CCN(c3ccc4ccccc4n3)CC2)cc(Br)c2ccccc12,CHEMBL165879,6.6
+CCOc1c(C(=O)NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c2ccccc12,CHEMBL169753,6.9
+COc1c(C(=O)NCCN2CCN(c3ccc(F)cc3F)CC2)cc(Br)c2ccccc12,CHEMBL167230,6.7
+COc1c(C(=O)NCCN2CC=C(c3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL168663,7.7
+COc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12,CHEMBL167483,7.1
+COc1c(Cl)cc(Cl)c(O)c1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL168245,6.3
+COc1ccc(Br)c(O)c1C(=O)NCCN1CCN(c2ccccc2)CC1,CHEMBL168746,6.4
+COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3Cl)CC2)cc(Br)c2ccccc12,CHEMBL168908,7.0
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,5.55
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)C2,CHEMBL160998,7.6
+COc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL161916,8.1
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(C#N)cc4C3)CC2)c1,CHEMBL161853,8.0
+O=C(/C=C/c1ccc(F)cc1)N[C@H]1CC[C@H](CCN2Cc3ccc(C(F)(F)F)cc3C2)CC1,CHEMBL161126,8.0
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL162193,7.9
+N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL351722,7.2
+CS(=O)(=O)Oc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2,CHEMBL158627,8.3
+O=C(/C=C/c1ccc(F)cc1)N[C@H]1CC[C@H](CCN2Cc3ccc(Br)cc3C2)CC1,CHEMBL351300,8.5
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,CHEMBL57219,8.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OS(C)(=O)=O)C1,CHEMBL291801,8.9
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(Cl)cccc2C1,CHEMBL51977,8.8
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(O)cccc2C1,CHEMBL58669,9.7
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(C#N)cccc2C1,CHEMBL416508,9.3
+CN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(O)cccc2C1,CHEMBL59642,8.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OCC2CC2)C1,CHEMBL61444,8.6
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2OC)C1,CHEMBL61717,9.1
+COc1cccc2c1CCC(N(C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2,CHEMBL59554,7.9
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(cccc2C(N)=O)C1,CHEMBL59960,8.4
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2c(Br)cccc2C1,CHEMBL60038,8.9
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2ccccc2C1,CHEMBL60713,8.8
+CC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1,CHEMBL367129,8.6
+O=C(/C=C/c1ccc2[nH]ccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL291545,8.7
+COc1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL52987,8.4
+O=C(/C=C/c1ccc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55840,8.3
+O=C(/C=C/c1cnc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52901,8.4
+O=C(NCCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1,CHEMBL53833,7.6
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1cccc(-c2ccccc2)c1,CHEMBL52770,6.9
+Cc1ccccc1-c1ccc(C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL54715,7.3
+CN(C)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL53351,8.4
+Cc1nnc(-c2ccc(-c3ccc(C(=O)NCCCCN4CCc5ccc(OS(=O)(=O)C(F)(F)F)cc5C4)cc3)cc2)o1,CHEMBL279925,8.7
+O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55276,8.3
+O=C(/C=C/c1ccc2ccccc2n1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55090,8.4
+O=C(/C=C/c1ccc2ncccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52468,8.5
+CC(=O)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1,CHEMBL293347,8.4
+CC(=O)c1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1,CHEMBL52135,8.4
+CNC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1,CHEMBL54777,8.6
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccc(N3CCCC3=O)cc2)cc1,CHEMBL297960,8.6
+CNC(=O)c1cccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1,CHEMBL52724,8.7
+O=C(/C=C\c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL55524,7.4
+Cc1cc(C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)ccc1-c1ccccc1,CHEMBL54948,7.3
+O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccccc2)cc1,CHEMBL299038,8.1
+O=C(/C=C/c1ccc2[nH]c(=O)ccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL52466,8.6
+COc1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1,CHEMBL416842,8.5
+O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL301475,8.4
+Cn1c(=O)ccc2cc(/C=C/C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc21,CHEMBL292577,8.0
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,5.6
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,5.77
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,5.6
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,5.9
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,5.9
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,6.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,6.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,6.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2,CHEMBL82864,7.8
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc34)CC1)CC2,CHEMBL86127,7.9
+CC(=O)Nc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1F,CHEMBL86183,8.4
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL314050,8.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)CC1)CC2,CHEMBL86032,8.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2,CHEMBL420789,8.2
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3F)CC1)CC2,CHEMBL315209,8.0
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)CC2,CHEMBL445111,7.6
+CC(=O)c1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL419487,8.4
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL86402,7.7
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL87600,8.5
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)CC2,CHEMBL85711,7.7
+CC(=O)Nc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C#N)cc4CC3)CC2)c1,CHEMBL313255,8.5
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccc(=O)[nH]c4c3)CC1)CC2,CHEMBL87753,8.0
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL169323,8.0
+CCCN1CCC[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL170976,7.6
+c1c2c(cc3c1CC[C@H]1NCCO[C@H]31)OCC2,CHEMBL171825,6.7
+CC(C)CN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL169322,6.9
+CN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4,CHEMBL171826,7.1
+CCCN1CCO[C@@H]2c3cc4c(cc3OC[C@H]21)CCO4,CHEMBL170923,6.3
+c1c2c(cc3c1CC[C@@H]1[C@@H]3OCCN1CC1CC1)OCC2,CHEMBL171672,7.2
+O=C(NCCCCN1CC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL97856,7.9
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+COc1cccc2c1CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL97118,7.8
+CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL99876,8.3
+CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL318925,8.2
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+CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL329702,7.3
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+O=C(NCCCCN1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL95759,8.1
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+COc1cccc2c1CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL2111591,8.1
+O=C(NCCCCN1CCC[C@@H]2c3ccccc3CC[C@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL95743,7.8
+O=C(NCCCCN1CC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,CHEMBL319116,8.7
+CS(=O)(=O)Oc1cccc2c1CCC1C2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL2111592,8.0
+CS(=O)(=O)Oc1cccc2c1CC[C@@H]1[C@@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL319355,5.9
+CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL97440,6.7
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+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,6.0
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+CCCN(CCC)C1CCc2cc(CN(C(N)=O)c3ccc(OC)cc3)ccc2C1,CHEMBL338938,7.6
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+CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccc(Cl)c(Cl)c3)c2OC)C1,CHEMBL129839,7.7
+CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1,CHEMBL334529,8.845
+CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccc(NS(C)(=O)=O)cc3)c2OC)C1,CHEMBL130680,6.3
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(/C(C)=N\O)cc3)ccc2C1,CHEMBL336971,9.0
+CCCN(CCC)C1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1,CHEMBL338496,8.1
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+CCCN(CCC)C1CCc2cc(CCc3ccc(C(C)=O)cc3)ccc2C1,CHEMBL133800,8.4
+CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(I)cc3)ccc2C1,CHEMBL130678,9.8
+CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C,CHEMBL132574,7.6
+CCCN(CCC)C1CCc2cc(CCc3ccc(C(=O)OCC)cc3)ccc2C1,CHEMBL130101,8.7
+CCCN(CCC)C1CCc2cc(CCc3ccc(C(N)=O)cc3)ccc2C1,CHEMBL130386,6.2
+CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccccc3)c2OC)C1,CHEMBL130423,7.2
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1,CHEMBL132789,8.4
+CCCN(CCC)C1CCc2cc(CCc3ccc(C(=O)O)cc3)ccc2C1,CHEMBL335989,5.5
+CCCN(CCC)C1CCc2cc(CCc3ccc(OC)cc3)ccc2C1,CHEMBL441089,8.5
+CCCN(CCC)C1CCc2cc(CCc3ccc(O)cc3)ccc2C1,CHEMBL130304,7.9
+CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(C(C)=O)cc3)ccc2C1,CHEMBL133519,8.5
+CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1,CHEMBL131556,8.9
+CCCN(CCC)C1CCc2cc(CCc3ccc(S(C)(=O)=O)cc3)ccc2C1,CHEMBL133969,5.8
+CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccc(Cl)cc3)c2OC)C1,CHEMBL132769,8.3
+CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccccc3)c2OC)C1,CHEMBL132930,7.7
+CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1,CHEMBL132724,8.0
+CCCN(CCC)C1CCc2cc(CCc3ccccc3)ccc2C1,CHEMBL130665,8.4
+CCCN(CCC)C1CCc2cc(CCc3ccc(/C(C)=N\O)cc3)ccc2C1,CHEMBL130282,8.7
+CCCN(CCC)C1CCc2cc(CN(C(=O)OC)c3ccc(OC)cc3)ccc2C1,CHEMBL133166,8.2
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1,CHEMBL2093001,7.8
+COc1ccc(S(N)(=O)=O)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL144600,7.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3)[nH]2)c1,CHEMBL22156,8.9
+COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL433552,8.0
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145545,8.2
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL423198,8.8
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3)[nH]2)c1,CHEMBL144055,8.2
+COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL144141,7.1
+COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145408,8.2
+COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL145141,8.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3)[nH]2)c1,CHEMBL2093000,8.4
+COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1,CHEMBL1788252,8.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1,CHEMBL1788258,9.1
+COc1ccc(S(=O)(=O)C(C)C)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL344531,8.3
+COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL280490,8.7
+COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1,CHEMBL356526,8.7
+CCN1CCCCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL280177,8.7
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC,CHEMBL277945,8.2
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC3)[nH]2)c1,CHEMBL21118,7.6
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3)[nH]2)c1,CHEMBL21280,7.2
+CCN1CCCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL20763,8.7
+CCN(Cc1ccccc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL21967,9.5
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3c3ccccc3)[nH]2)c1,CHEMBL280961,9.0
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC3c3ccccc3)[nH]2)c1,CHEMBL281177,8.9
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCCC3c3ccccc3)[nH]2)c1,CHEMBL20395,7.7
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCOCC3)[nH]2)c1,CHEMBL20407,6.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCCCC3)[nH]2)c1,CHEMBL22022,7.7
+CCN1CCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL277631,8.3
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCC3)[nH]2)c1,CHEMBL282287,7.7
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C(C)N3CCCCC3)[nH]2)c1,CHEMBL20785,8.0
+CCN(CC)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL277684,7.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3)[nH]2)c1,CHEMBL279039,7.8
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3F)CC1)CC2,CHEMBL2368625,8.9
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3F)CC1)CC2,CHEMBL2368626,8.9
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL2113364,9.1
+Cc1cnc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL2113357,8.1
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(C#N)cc3)CC1)CC2,CHEMBL2368617,8.7
+Cn1nccc1-c1cccc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)c1,CHEMBL3084605,8.5
+Cc1coc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)n1,CHEMBL3084612,8.5
+Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)on1,CHEMBL3084626,8.7
+Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c2ccccc2n1,CHEMBL2113358,7.7
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2,CHEMBL2368622,8.9
+COc1ccccc1/C=C/C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1,CHEMBL2368633,8.9
+Cc1nc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)no1,CHEMBL3084613,8.6
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)CC2,CHEMBL3084620,8.2
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3C#N)CC1)CC2,CHEMBL2368620,8.8
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc34)CC1)CC2,CHEMBL3084624,8.6
+Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084597,8.9
+Cc1ccc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)cccc2n1,CHEMBL3084598,8.9
+Cc1cnc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084629,8.5
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc34)CC1)CC2,CHEMBL3084625,8.7
+Cc1ccc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)cccc2n1,CHEMBL3084599,8.4
+COc1ccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)cc1,CHEMBL2113356,9.0
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc(-n4cccc4)c3)CC1)CC2,CHEMBL3084596,8.5
+Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)o1,CHEMBL3084602,8.2
+COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1,CHEMBL2368618,8.7
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2,CHEMBL2368623,8.8
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3c(F)cccc3F)CC1)CC2,CHEMBL2368619,8.6
+Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)on1,CHEMBL3084615,8.4
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(C#N)c3)CC1)CC2,CHEMBL2368624,8.7
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2,CHEMBL2368629,9.0
+CS(=O)(=O)Oc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc(-c4ncccn4)c3)CC1)CC2,CHEMBL3084601,8.7
+CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cc(F)cc(F)c3)CC1)CC2,CHEMBL2368627,8.7
+Cc1ccc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)ccc(F)c2n1,CHEMBL2113363,8.5
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,6.1
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,6.7
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL542139,6.16
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1,CHEMBL419760,7.5
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1Cl,CHEMBL113606,8.2
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccc(C)cc3)[nH]2)c1,CHEMBL112219,9.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccc(OC)cc3)[nH]2)c1,CHEMBL325859,8.8
+CCN1[C@H](c2ccccc2)CC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL111884,8.0
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H](C)c1ccccc1,CHEMBL109532,9.1
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3ccccc3C)[nH]2)c1,CHEMBL325060,7.0
+CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL113229,9.2
+CCN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL322070,9.4
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC3c3cccc(OC)c3)[nH]2)c1,CHEMBL325658,7.3
+CCN(Cc1cccc(Cl)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL332270,8.6
+CCN(Cc1ccc(OC)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112735,9.6
+CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL324044,7.9
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H](C)c1ccccc1,CHEMBL321244,8.6
+CCN(Cc1cccc(OC)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112505,8.1
+CCN(Cc1ccc(C)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL112705,9.7
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C3CCCN3Cc3ccccc3)[nH]2)c1,CHEMBL326662,8.0
+CCN1[C@H](c2ccccc2)CC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL2367896,7.0
+CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)C1CCCc2ccccc21,CHEMBL113524,8.3
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+CCC(C)N1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL413483,6.98
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+CCCN[C@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1,CHEMBL2021538,7.82
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+CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL28437,6.56
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+CCCN[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL554220,6.44
+Oc1ccc2c(c1)CC(NC/C=C/I)CC2,CHEMBL336326,7.52
+CCCN(C/C=C/I)C1CCc2cc(O)ccc2C1,CHEMBL336851,8.66
+CCCN(C/C=C/I)C1COc2ccc(O)cc2C1,CHEMBL138015,7.5
+CCCN(C/C=C/I)C1COc2c(O)cccc2C1,CHEMBL133085,8.17
+CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1,CHEMBL110239,8.73
+CCCN(C/C=C/I)C1CCc2c(O)cccc2C1,CHEMBL263282,9.0
+CCCN1CC[C@H]2c3c(ccc4ccoc34)CC[C@H]21,CHEMBL328107,6.49
+CCCN(CCC)C1CCc2c(ccc3ccoc23)C1,CHEMBL96735,7.25
+CCCN(CCC)C1CCc2ccc3occc3c2C1,CHEMBL314548,7.35
+CCCN(CCC)C1CCc2ccc3ccoc3c2C1,CHEMBL93186,7.79
+COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2,CHEMBL184049,5.8
+CN1CCOc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL184050,5.86
+O=C(c1ccccc1)c1ccccc1OCCN1CCCC1,CHEMBL364586,5.62
+CCN(CC)CCOc1ccccc1Cc1ccccc1,CHEMBL366265,5.33
+c1ccc(Cc2ccccc2OCCN2CCCC2)cc1,CHEMBL435505,5.74
+c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,CHEMBL364565,5.11
+c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL184073,5.54
+c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,CHEMBL187367,5.53
+c1ccc(Cc2ccccc2NCCN2CCCC2)cc1,CHEMBL187420,5.33
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1,CHEMBL175838,8.6
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1,CHEMBL367720,8.7
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,CHEMBL414838,9.05
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,CHEMBL425143,9.05
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,CHEMBL368961,8.89
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,CHEMBL179351,9.52
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,CHEMBL175462,8.42
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1,CHEMBL302374,8.707
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,CHEMBL179960,9.3
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1F,CHEMBL177398,8.92
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1,CHEMBL175677,8.77
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL366900,9.0
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,CHEMBL179003,8.89
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1,CHEMBL176884,8.57
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1,CHEMBL175466,8.59
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1I,CHEMBL176212,8.42
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(I)c1,CHEMBL179053,8.49
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1,CHEMBL180060,8.373
+COc1ccccc1C(=O)NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL414839,9.22
+COc1cccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL175875,8.52
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccn1,CHEMBL179025,8.59
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1O,CHEMBL372022,9.1
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],CHEMBL191795,8.47
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,CHEMBL364759,8.64
+Nc1ccccc1C(=O)NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL426994,8.66
+Nc1cccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL191855,8.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1,CHEMBL182379,8.995
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1,CHEMBL184993,9.07
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1,CHEMBL183871,8.35
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1,CHEMBL182652,8.62
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1,CHEMBL362101,8.85
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,7.82
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,7.08
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,6.53
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,7.51
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.35
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,6.6
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,7.02
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,8.07
+CN1CCN(C2=Cn3cccc3Sc3sccc32)CC1,CHEMBL180319,7.6
+CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1,CHEMBL179775,6.65
+CN1CCN(C2=Cc3cc(Cl)ccc3Cn3cccc32)CC1,CHEMBL179557,7.62
+Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1,CHEMBL178564,7.05
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,8.08
+O=S(=O)(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL362487,6.2
+O=S(=O)(c1ccccc1F)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL180606,6.13
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,6.36
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2,CHEMBL419316,6.21
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,6.97
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,6.57
+CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL611207,7.615
+CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL608530,6.865
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,6.03
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.0
+CCCN(CCC)[C@H]1CCn2cccc2C1,CHEMBL192037,6.24
+CCCN(CCC)[C@@H]1CCn2c(C#N)ccc2C1,CHEMBL192709,5.55
+CCCN(CCC)[C@@H]1CCn2c(ccc2C(C)=O)C1,CHEMBL193077,5.55
+CCCN(CCC)[C@H]1CCn2c(ccc2C(C)=O)C1,CHEMBL190679,7.34
+CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)c2ccccc2)C1,CHEMBL363608,5.81
+CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)c2ccccc2)C1,CHEMBL192906,5.72
+CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1,CHEMBL364737,5.6
+CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1,CHEMBL189486,7.64
+CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)C(Cl)(Cl)Cl)C1,CHEMBL193170,7.06
+CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(Cl)(Cl)Cl)C1,CHEMBL193776,6.58
+CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)OCC)C1,CHEMBL191938,6.49
+CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)OCC)C1,CHEMBL192433,5.36
+CCCN(CCC)[C@@H]1CCn2c(/C=N/O)ccc2C1,CHEMBL189834,5.68
+CCCN(CCC)[C@H]1CCn2c(/C=N/O)ccc2C1,CHEMBL364916,7.51
+CCCN(CCC)[C@@H]1CCn2c(/C=N\O)ccc2C1,CHEMBL365960,5.32
+CCCN(CCC)[C@H]1CCn2c(/C=N\O)ccc2C1,CHEMBL372854,7.31
+Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)NCC3,CHEMBL190519,7.23
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1,CHEMBL189438,8.46
+CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21,CHEMBL155731,9.03
+CCCN(CCC)[C@@H]1CCn2c(ccc2-c2ccccc2)C1,CHEMBL193304,5.62
+CCCN(CCC)[C@H]1CCn2c(ccc2-c2ccccc2)C1,CHEMBL192501,5.1
+CCCN(CCC)[C@@H]1CCn2c(C=C(C#N)C#N)ccc2C1,CHEMBL193043,5.22
+CCCN(CCC)[C@H]1CCn2c(C=C(C#N)C#N)ccc2C1,CHEMBL189880,7.22
+CCCN(CCC)[C@@H]1CCn2c(ccc2CN(C)C)C1,CHEMBL364532,4.92
+CCCN(CCC)[C@H]1CCn2c(ccc2CN(C)C)C1,CHEMBL190542,5.44
+CCCN(CCC)[C@@H]1CCc2c(ccn2C=O)C1,CHEMBL192746,7.36
+CCCN(CCC)[C@H]1CCc2c(ccn2C=O)C1,CHEMBL192795,7.41
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.8
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,6.2
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL194727,8.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL196744,9.28
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1,CHEMBL198993,7.85
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,CHEMBL197162,8.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1,CHEMBL197214,7.07
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,CHEMBL197195,8.05
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL194755,6.68
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,CHEMBL195247,7.8
+CCCN(CCC)[C@@H]1CCn2nccc2C1,CHEMBL197159,5.54
+CCCNC1CCn2ncc(C(=O)OC)c2C1,CHEMBL383805,4.92
+CCCN(CCC)C1CCn2ncc(C(=O)OC)c2C1,CHEMBL198303,4.77
+CCCN(CCC)C1CCn2ncc(C=O)c2C1,CHEMBL198174,4.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL110365,9.4
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL305362,8.7
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL114541,7.92
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccccc12,CHEMBL168357,8.16
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1,CHEMBL169766,7.49
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CC[C@@H](c2ccccc2)CC1,CHEMBL168948,7.97
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](c3ccccc3)CC2)CC1,CHEMBL277301,7.69
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CC[C@H](c2ccccc2)CC1,CHEMBL361228,7.64
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CC[C@H](c3ccccc3)CC2)CC1,CHEMBL426414,8.47
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,8.93
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.89
+CN1CCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL1204122,7.314
+CN1CCc2ccccc2Cc2ccccc2CC1,CHEMBL201525,7.292999999999999
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,9.89
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)n[nH]2)CC1,CHEMBL199859,7.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,CHEMBL201270,8.345
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1,CHEMBL203302,7.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)OCO3)CC1,CHEMBL201551,7.83
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nccnc3c2)CC1,CHEMBL199498,7.11
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-n5ccnc5)c4)CC3)c2c1,CHEMBL435939,5.26
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(N5CCOCC5)c4)CC3)c2c1,CHEMBL199480,5.84
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-c5noc(C)n5)c4)CC3)c2c1,CHEMBL426834,5.89
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-c5ncccn5)c4)CC3)c2c1,CHEMBL197762,5.94
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc(-c5ccco5)n[nH]4)CC3)c2c1,CHEMBL199836,7.67
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc(-n5ccnc5)cc4)CC3)c2c1,CHEMBL199329,7.65
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc(N5CCOCC5)cc4)CC3)c2c1,CHEMBL197660,7.42
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc5nonc5c4)CC3)c2c1,CHEMBL372308,7.07
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc5c(c4)OCO5)CC3)c2c1,CHEMBL200024,6.93
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc5nccnc5c4)CC3)c2c1,CHEMBL199746,6.66
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cccc(OC)c3o2)CC1,CHEMBL201698,7.59
+COc1ccc2ccnc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1,CHEMBL201027,6.99
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc5nccnc45)CC3)oc12,CHEMBL201326,6.58
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4[nH]nc5ccccc45)CC3)oc12,CHEMBL202713,6.9
+COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1,CHEMBL198404,7.01
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,7.2
+CC(C)(C)c1nc(N2CCN(CCCCn3cccnc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL203200,7.89
+Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n(C)c1=O,CHEMBL426473,7.98
+Cn1c(=O)ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL200026,7.93
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C#N)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201509,8.32
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C(F)(F)F)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL382568,8.27
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(Cl)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201240,8.64
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(F)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202827,8.52
+CCc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O,CHEMBL202774,8.77
+Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O,CHEMBL201115,8.89
+CC(C)(C)c1nc(N2CCN(CCCSc3nc(=O)cc[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL439338,8.54
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(N4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201376,8.47
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(N4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL199453,8.36
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL200028,8.85
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL199663,8.32
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202298,8.13
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C4CC4)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202229,8.43
+CC(C)(C)c1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202175,8.59
+Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202253,8.36
+CCOc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1,CHEMBL202072,8.13
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL383188,8.72
+CC(C)(C)c1nc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201742,7.03
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201232,9.1
+CC(C)(C)c1nc(N2CCN(CCCCN3CCC(=O)CCC3=O)CC2)cc(C(F)(F)F)n1,CHEMBL201481,8.41
+COc1cc2c(cc1OC)N(CCCCN1CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC1)C(=O)CCC2=O,CHEMBL203471,8.35
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCCc4c(O)cccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201318,8.6
+COc1cccc2c1CCCC(=O)N2CCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL202704,8.0
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCSc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL370191,8.02
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL380597,7.77
+CC(C)(C)c1nc(N2CCN(CCCCn3c(=O)cc(O)c4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201386,7.4
+CC(C)(C)c1nc(N2CCN(CCCCN3Cc4ccccc4CC3=O)CC2)cc(C(F)(F)F)n1,CHEMBL439686,6.53
+CC(C)(C)c1nc(N2CCN(CCCCn3c(=O)ccc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201743,7.95
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)COc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL382591,7.92
+C[C@@H](CCCN1C(=O)CCc2ccccc21)N1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL203260,7.65
+C[C@H](CCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CN1C(=O)CCc2ccccc21,CHEMBL426111,7.19
+C/C(=C\CN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CN1C(=O)CCc2ccccc21,CHEMBL201400,7.23
+CC(C)(C)c1nc(N2CCN(C/C=C/CN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201557,8.04
+CC(C)(C)c1nc(N2CCN(CCCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL201506,5.39
+CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,CHEMBL383205,8.47
+CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1,CHEMBL381936,6.47
+COc1cccc2c1Cc1ccccc1CCN(C)CC2,CHEMBL379662,5.74
+CN1CCc2ccccc2Cc2c(O)cccc2CC1,CHEMBL203689,6.67
+CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1,CHEMBL203047,7.56
+COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2,CHEMBL203734,6.38
+COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2,CHEMBL381946,6.82
+CN1CCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL382010,6.53
+CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1,CHEMBL203637,7.61
+COc1ccc2c(c1)CCN(C)CCc1ccccc1C2,CHEMBL380330,7.12
+CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1,CHEMBL380464,8.73
+COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2,CHEMBL204065,6.99
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL207871,8.8
+CC(C)(C)c1nc(N2CCN(CCCCCC(=O)NCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL424690,8.21
+CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL208228,8.08
+CCN(CC)C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL202858,9.05
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCC3CCCCC3)CC2)cc(C(F)(F)F)n1,CHEMBL202857,8.17
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL377299,8.14
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)NCc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL424678,8.57
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)n1,CHEMBL205497,8.49
+CC(C)(C)CNC(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL381514,8.26
+CC(C)(C)NC(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL205264,8.4
+Cc1cccc(=O)n1CCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,CHEMBL203943,7.92
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(Cl)ccc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205238,7.49
+CC(C)(C)c1nc(N2CCN(CCCCn3cc(C(F)(F)F)ccc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205498,7.45
+CC(C)(C)c1nc(N2CCN(CCCCn3cccc(C(F)(F)F)c3=O)CC2)cc(C(F)(F)F)n1,CHEMBL206528,8.03
+Cc1cccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL203016,8.64
+COc1cccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c1=O,CHEMBL380171,8.66
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL207880,8.1
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C(F)(F)F)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205733,7.94
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(C(F)(F)F)nc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL205961,7.84
+CC(C)(C)c1nc(N2CCN(CCCCn3ccc(O)cc3=O)CC2)cc(C(F)(F)F)n1,CHEMBL202670,8.96
+Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1,CHEMBL382773,9.1
+c1ccc(N2CCN(Cc3cnn(-c4ccccn4)c3)CC2)cc1,CHEMBL425057,6.8
+C1=C(c2ccccc2)CCN(Cc2cn(-c3ccccc3)nn2)C1,CHEMBL379177,7.03
+c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,CHEMBL210318,5.68
+C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1,CHEMBL378455,7.48
+COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)nn2)CC1,CHEMBL210232,6.47
+c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL211026,5.92
+Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1,CHEMBL377200,6.49
+c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1,CHEMBL209832,5.54
+Cc1nn(-c2ccccc2)cc1CN1CCN(c2ccccc2)CC1,CHEMBL208018,6.44
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL379602,7.46
+Fc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,CHEMBL210717,7.17
+Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL437490,6.27
+Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210955,5.72
+c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210405,6.85
+COc1ccccc1N1CCN(Cc2cnn(-c3ccccn3)c2)CC1,CHEMBL210404,7.14
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.93
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,CHEMBL208847,7.8
+O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL426863,8.72
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,CHEMBL209876,9.34
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL210461,8.44
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1,CHEMBL208274,6.41
+COc1ccccc1N1CCN(Cc2cn3c(-n4cccn4)cccc3n2)CC1,CHEMBL212160,6.0
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-n4cccn4)c3n2)CC1,CHEMBL210551,5.62
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(N4CCOCC4)c3n2)CC1,CHEMBL211118,5.68
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1,CHEMBL210283,5.46
+Clc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1Cl,CHEMBL210341,6.0
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1,CHEMBL211590,6.33
+COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1,CHEMBL211539,6.17
+COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1,CHEMBL379125,6.22
+COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1,CHEMBL211164,6.1
+CN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1,CHEMBL380287,6.06
+Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl,CHEMBL207543,6.07
+Fc1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,CHEMBL425064,4.22
+Fc1ccc(N2CCN(Cc3cn4ccncc4n3)CC2)cc1,CHEMBL377542,4.38
+Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL211135,5.11
+COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1,CHEMBL378515,5.85
+Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1,CHEMBL209034,5.82
+Fc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,CHEMBL207488,5.25
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL212370,5.06
+COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1,CHEMBL212631,5.41
+Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1Cl,CHEMBL378680,5.77
+Fc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,CHEMBL380054,5.51
+COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1,CHEMBL213987,6.34
+Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,CHEMBL217299,6.41
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL441618,7.523
+CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL216258,6.56
+CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1,CHEMBL216439,6.28
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,CHEMBL221652,9.43
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,CHEMBL221640,9.35
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1,CHEMBL218150,9.13
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc(C#N)cc3[nH]2)CC1,CHEMBL218638,9.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1,CHEMBL218444,9.61
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1,CHEMBL220700,9.24
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL346692,8.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3o2)CC1,CHEMBL376020,8.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2o1,CHEMBL376445,8.46
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1,CHEMBL221681,9.16
+C#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)sc2c1,CHEMBL218368,9.42
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3s2)CC1,CHEMBL218318,9.34
+C#Cc1ccc2sc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL221397,9.41
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL374749,9.55
+COc1ccc(C(=O)NCCCCN2CCN(c3ccccc3Cl)CC2)cc1OC,CHEMBL221549,8.51
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,CHEMBL219274,8.77
+O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,CHEMBL218203,9.075
+Clc1ccc(N2CCN(Cc3cnn4c(I)cccc34)CC2)cc1,CHEMBL218787,5.57
+N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1,CHEMBL218151,9.45
+CCCc1c(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL221129,8.13
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,CHEMBL386986,8.46
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL217981,7.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,CHEMBL385289,7.49
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccc(OC)cc1,CHEMBL218351,7.89
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL220754,7.06
+COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1,CHEMBL221866,7.47
+COc1ccc(Cn2nnc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,CHEMBL437525,7.54
+CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1,CHEMBL218607,7.96
+CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL425285,8.62
+COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221587,7.8
+Cc1c(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL221897,8.07
+COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,CHEMBL221843,7.17
+Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,CHEMBL373873,8.37
+c1ccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL221814,7.03
+c1ccc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL221600,7.48
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,6.43
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1,CHEMBL231326,7.4
+CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231350,8.5
+CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231349,9.1
+COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231249,9.1
+CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231648,8.6
+CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231546,8.3
+CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL397476,8.4
+Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL395525,8.8
+Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL230930,7.8
+Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1,CHEMBL230070,7.6
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2CC1,CHEMBL388674,7.4
+Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1,CHEMBL230069,8.2
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1,CHEMBL231640,7.8
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1,CHEMBL231431,8.4
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231430,7.8
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL231334,8.7
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1,CHEMBL266018,7.8
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)CC3)cc1,CHEMBL231333,7.6
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1,CHEMBL388247,7.95
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1,CHEMBL395501,7.7
+COc1ccc(C2=NO[C@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL243012,8.68
+CCOc1ccccc1N1CCN(CCC[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243225,8.29
+CCOc1ccccc1N1CCN(CCC[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1,CHEMBL243224,8.68
+COc1ccc(C2=NO[C@@H](CCCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC,CHEMBL390181,7.7
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.17
+O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL394863,6.8
+O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL231156,9.0
+COc1ccccc1N1CCN(CCC(O)CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL231055,8.89
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL394862,8.6
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL390253,9.3
+CC(=O)OC(CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL242434,7.93
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL242218,8.74
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL242644,8.423
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL396024,8.74
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244990,8.52
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL394541,8.54
+O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL244775,7.31
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL244774,8.96
+Cc1cccnc1-c1ccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL244773,8.8
+Cc1cccc(-c2ccc(C(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,CHEMBL398175,8.85
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,CHEMBL244562,9.22
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL241973,9.4
+CN1CCCc2cc(O)ccc2Cc2ccccc2CC1,CHEMBL389356,5.21
+COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,CHEMBL397207,4.83
+CN1CCCc2ccccc2Cc2cc(O)ccc2CC1,CHEMBL394779,6.11
+COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,CHEMBL231374,4.62
+Oc1ccc2c(c1)CCCNCCc1ccccc1C2,CHEMBL396950,5.16
+COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,CHEMBL231171,5.87
+CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,CHEMBL389559,5.4
+COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,CHEMBL276778,6.29
+CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,CHEMBL231070,7.0
+COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,CHEMBL389357,5.5
+Cc1ccc2nc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1,CHEMBL231183,8.1
+Cc1cccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12,CHEMBL230218,7.26
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1,CHEMBL231057,6.41
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1,CHEMBL231158,7.4
+Cc1ccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1,CHEMBL231260,7.22
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1,CHEMBL231182,6.84
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1,CHEMBL230872,8.8
+Clc1cccc(N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)c1Cl,CHEMBL387784,7.42
+COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1,CHEMBL231181,9.14
+Cc1cccn2cc(-c3ccc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12,CHEMBL231080,6.65
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1,CHEMBL387569,7.3
+Cc1ccn2cc(-c3ccc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1,CHEMBL231079,8.1
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1,CHEMBL231078,7.15
+Cc1ccc2nc(-c3ccc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1,CHEMBL230973,7.54
+COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1,CHEMBL230972,6.75
+Clc1cccc(N2CCN(CCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)c1Cl,CHEMBL230971,6.81
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1,CHEMBL245118,8.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)n(C)n1,CHEMBL390649,8.1
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ocnc4C)n2C)CC3)n(C)n1,CHEMBL245119,7.9
+Cc1ccc2c(-c3nnc(SCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,CHEMBL245120,7.8
+Cc1cnc(-c2nnc(SCCN3CCc4ccc(-c5cc(C)nn5C)cc4CC3)n2C)cn1,CHEMBL242601,8.3
+Cc1cc(-c2ccc3c(c2)CCN(CCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1,CHEMBL242602,8.7
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,CHEMBL242603,8.8
+COc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cn1,CHEMBL244945,8.6
+COc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cc1,CHEMBL242600,9.4
+COc1cccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)c1,CHEMBL242599,9.1
+COc1ccccc1-c1nnc(SCCCN2CCc3ccc(-c4cc(C)on4)cc3CC2)n1C,CHEMBL390429,8.5
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCOCC4)n2C)CC3)no1,CHEMBL242598,8.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCC(C)CC4)n2C)CC3)no1,CHEMBL243860,8.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C4CCCC4)n2C)CC3)no1,CHEMBL243859,8.7
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(C)(C)C)n2C)CC3)no1,CHEMBL243474,8.3
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(C)C)n2C)CC3)no1,CHEMBL243901,8.0
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(F)(F)F)n2C)CC3)no1,CHEMBL243900,8.0
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C)n2C)CC3)no1,CHEMBL243899,7.4
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccc(F)c4)n2C)CC3)no1,CHEMBL244280,8.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(Cl)c(Cl)c4)n2C)CC3)no1,CHEMBL397222,9.0
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(Cl)cc4)n2C)CC3)no1,CHEMBL244279,9.2
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccc(Cl)c4)n2C)CC3)no1,CHEMBL244278,8.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccccc4Cl)n2C)CC3)no1,CHEMBL244087,8.6
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccn4C)n2C)CC3)no1,CHEMBL395743,9.1
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccs4)n2C)CC3)no1,CHEMBL244086,8.9
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccncc4)n2C)CC3)no1,CHEMBL244085,7.6
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccccn4)n2C)CC3)no1,CHEMBL243898,8.6
+Cc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cc1,CHEMBL395742,8.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)no1,CHEMBL243897,8.5
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C#N)cc4)n2C)CC3)no1,CHEMBL243896,8.4
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccccc4)n2C)CC3)no1,CHEMBL243709,8.8
+Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc5nc(C)c(C)nc5c4)n2C)CC3)no1,CHEMBL243708,8.2
+Cc1ccc2cc(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)ccc2n1,CHEMBL395741,9.0
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)cccc2n1,CHEMBL243707,8.7
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccn4C)n2C)CC3)o1,CHEMBL244277,8.8
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc5[nH]ccc5c4)n2C)CC3)o1,CHEMBL244276,8.8
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cc5ccccc5[nH]4)n2C)CC3)o1,CHEMBL397429,8.9
+Cc1cnc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4cccs4)n2C)CC3)o1,CHEMBL244275,8.5
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6ncc(C)o6)cc5CC4)n3C)cccc2n1,CHEMBL244084,8.7
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,9.1
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,CHEMBL243712,8.4
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,9.3
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,8.4
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL394110,7.18
+COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1,CHEMBL393492,7.52
+O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL240996,7.85
+O=C1c2ccccc2CN1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL240995,6.18
+O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1,CHEMBL240774,7.45
+COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1,CHEMBL394080,6.71
+O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL268371,6.61
+O=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL239917,5.92
+O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL395933,7.1
+COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1,CHEMBL239700,6.51
+O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL398813,6.99
+O=c1c2ccccc2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL238718,5.75
+O=c1c2ccccc2ncn1CCCCN1CCN(c2ccccc2)CC1,CHEMBL238717,6.28
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1,CHEMBL238917,6.73
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL238916,6.97
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL238915,6.54
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL240377,7.33
+O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccccc2C1,CHEMBL240589,8.06
+COc1ccccc1NC1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1,CHEMBL241226,7.97
+COc1ccccc1NC1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL241225,7.74
+COc1ccccc1N(C(C)=O)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL238875,5.63
+O=C(NCCCCN1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL392579,7.51
+O=C(NCCCCN1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL239923,9.52
+O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc2ccccc2s1,CHEMBL239706,8.57
+O=C(NCCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1,CHEMBL239493,8.22
+O=C(NCCCCN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1)c1ccc2ccccc2c1,CHEMBL430371,7.96
+O=C1c2ccccc2C(=O)N1CCCCN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL393775,7.0
+O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1)c1cccs1,CHEMBL239066,6.3
+O=C(/C=C/c1ccccc1)NCCCCN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL239065,7.3
+O=C1c2ccccc2C(=O)N1CCCCN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL238858,6.3
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL391120,7.64
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1,CHEMBL240564,7.82
+COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL391895,7.82
+COc1ccccc1C(c1ccccc1)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL240600,8.44
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL436998,6.47
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL401224,7.43
+O=C(/C=C/c1ccccc1)NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL401223,7.39
+O=C(NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL394189,7.49
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)C1CCCCC1,CHEMBL239539,7.91
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL241660,7.41
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1,CHEMBL241659,7.75
+O=C(/C=C/c1ccccc1)NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL241455,8.62
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL394019,8.55
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1,CHEMBL429462,7.52
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL241027,7.55
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1,CHEMBL391057,7.52
+O=C(/C=C/c1ccccc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL241026,8.21
+O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL240588,7.95
+O=C1c2ccccc2C(=O)N1CCCCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL240587,7.37
+O=C1c2ccccc2C(=O)N1CCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL240379,6.88
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL240378,7.55
+C#Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL241631,7.51
+C#Cc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL239733,8.25
+C#Cc1ccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL393365,8.82
+COc1ccccc1N1CCN(CCCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,CHEMBL240584,7.43
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241436,8.12
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL392437,9.08
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241641,8.49
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL394292,9.51
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,CHEMBL391257,7.66
+C#Cc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL391256,8.21
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,CHEMBL241424,8.0
+C#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL241212,9.0
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,CHEMBL241211,7.17
+C#Cc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL394473,7.3
+O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,CHEMBL241210,7.54
+OC1(c2ccccc2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL392822,5.73
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1,CHEMBL247058,6.24
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL401031,6.2
+CCCCCCn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL246855,6.31
+Cn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,CHEMBL400827,6.62
+CSc1ccc(C2(O)CCN(Cc3coc4ccccc34)CC2)cc1,CHEMBL246854,6.86
+OC1(c2ccc(Cl)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246644,7.28
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2coc3ccccc23)CC1,CHEMBL246643,7.55
+OC1(c2ccc(Cl)cc2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL394066,6.36
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2[nH]nc3ccccc23)CC1,CHEMBL246642,6.81
+Cc1[nH]c2ccccc2c1CN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL246439,7.36
+C=CCOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL400826,6.14
+COC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246438,6.58
+OCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246437,6.97
+CC(=O)NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399601,4.9
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL399396,6.14
+COC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246231,6.26
+N#CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246230,6.16
+FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL394065,6.68
+CC(=O)NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246021,6.71
+NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL430198,6.42
+CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246020,5.68
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)C1,CHEMBL245816,5.37
+OC1(Cc2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245815,5.26
+OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL393027,5.68
+OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL245615,6.33
+CCCCCCOc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL398368,5.71
+COc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL245614,5.67
+Oc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CHEMBL392823,4.77
+OC1(c2ccc(F)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246849,6.31
+OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246848,6.24
+OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL246637,6.95
+OC1(c2cccc(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL396092,6.35
+OC1(c2cccc(Cl)c2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL397770,6.56
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,6.1
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,5.9
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,5.4
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,5.7
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,6.3
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,6.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,6.2
+COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1,CHEMBL245764,8.42
+CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL245571,5.68
+COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2,CHEMBL396561,5.95
+CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1,CHEMBL245570,6.03
+COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3,CHEMBL396560,6.32
+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC,CHEMBL392158,8.8
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)ccc1OC,CHEMBL397592,7.66
+C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,CHEMBL240106,9.22
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC,CHEMBL397103,7.96
+C=CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC,CHEMBL241169,9.34
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,CHEMBL76402,9.38
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1O,CHEMBL267723,8.38
+C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC,CHEMBL428561,7.48
+CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2c(O)cccc2C1,CHEMBL252539,9.35
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL252343,7.96
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(N)cc2C1,CHEMBL252342,7.65
+CCCN(CCCCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)c(O)cc2C1,CHEMBL254203,8.54
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)c(O)cc2C1,CHEMBL254202,8.86
+Oc1ccc2c(c1)CC(N(CCc1cccs1)CCN1CCN(c3ccccc3)CC1)CC2,CHEMBL254199,7.62
+CCCN(CCCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL254198,7.99
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)ccc2C1,CHEMBL253992,7.95
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)OCC(=O)N6)n3C)cccc2n1,CHEMBL271066,6.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)OCCN6)n3C)cccc2n1,CHEMBL408169,8.1
+CC(=O)N1CCOc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL272702,6.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)N(S(C)(=O)=O)CCO6)n3C)cccc2n1,CHEMBL272379,7.9
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)N(C)C(=O)CO4)n1C,CHEMBL257534,7.2
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)N(C)C(=O)CO6)n3C)cccc2n1,CHEMBL256652,7.4
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)OCC(=O)N4)n1C,CHEMBL257536,5.6
+Cc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3,CHEMBL401576,7.9
+CCc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL403181,7.6
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4onc(C)c4cc3CC2)n1C,CHEMBL256475,6.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6onc(C)c6cc5CC4)n3C)cccc2n1,CHEMBL257946,7.7
+Cc1cc(-c2nc3cc4c(cc3o2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)CC4)n(C)n1,CHEMBL401728,8.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(-c7cc(C)nn7C)oc6cc5CC4)n3C)cccc2n1,CHEMBL270567,8.1
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C,CHEMBL271083,8.5
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(F)(F)C(F)(F)F)oc6cc5CC4)n3C)cccc2n1,CHEMBL270227,8.3
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(N(C)C)oc6cc5CC4)n3C)cccc2n1,CHEMBL255620,9.0
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(N7CCCCC7)oc6cc5CC4)n3C)cccc2n1,CHEMBL255826,8.3
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C,CHEMBL255619,7.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(CC7CC7)oc6cc5CC4)n3C)cccc2n1,CHEMBL273166,7.9
+COCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256472,6.6
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(C)(F)F)oc4cc3CC2)n1C,CHEMBL256474,7.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(F)F)oc6cc5CC4)n3C)cccc2n1,CHEMBL256473,8.2
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(CC(F)(F)F)oc6cc5CC4)n3C)cccc2n1,CHEMBL258090,7.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(F)(F)F)oc6cc5CC4)n3C)cccc2n1,CHEMBL402016,7.3
+CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(F)c(F)c2)n1C)CC3,CHEMBL256651,7.6
+CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3,CHEMBL271096,8.1
+CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccnc2)n1C)CC3,CHEMBL272302,7.0
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(C2CCOCC2)n1C)CC3,CHEMBL270209,7.0
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(F)c(F)c2)n1C)CC3,CHEMBL269995,7.5
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3,CHEMBL439065,7.6
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccnc2)n1C)CC3,CHEMBL256653,6.9
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6cc5CC4)n3C)cccc2n1,CHEMBL429132,9.1
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C5CC5)oc4cc3CC2)n1C,CHEMBL271280,6.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C7CC7)oc6cc5CC4)n3C)cccc2n1,CHEMBL272695,7.3
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(C)C)oc4cc3CC2)n1C,CHEMBL256016,8.0
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)C)oc6cc5CC4)n3C)cccc2n1,CHEMBL256015,8.5
+CCCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL402826,8.4
+CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL272546,7.5
+CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL272545,7.9
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6ncoc6cc5CC4)n3C)cccc2n1,CHEMBL271844,7.3
+Cc1ncoc1-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C,CHEMBL255621,6.7
+Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL255827,6.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)oc6cc5CC4)n3C)cccc2n1,CHEMBL269959,7.2
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL255806,7.6
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL255618,7.0
+CCc1nc2cc3c(c(Br)c2o1)CCN(C(C)CCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL255417,7.0
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL273165,7.3
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL257525,7.1
+CCc1nc2cc3c(c(C)c2o1)CCN(C(C)CCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL257524,6.9
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL270239,6.6
+Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL257900,6.9
+CCc1nc2cc3c(c(C)c2o1)CCN(CCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL401777,6.6
+Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL257901,6.5
+Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL408208,6.5
+CCc1nc2cc3c(c(Br)c2o1)CCN(CCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL272378,6.7
+Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL402015,6.5
+Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C)oc6cc5CC4)n3C)cccc2n1,CHEMBL256650,7.5
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL271097,7.2
+CCc1nc2cc3c(c(C)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL269994,7.6
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL256481,8.2
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL257369,7.7
+CCc1nc2cc3c(c(Br)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256482,7.4
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL271072,7.4
+Cc1nc2cc3c(cc2o1)CCN(CCCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL271073,6.5
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL402087,7.4
+CCc1nc2cc3c(c(C)c2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL401752,7.5
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)oc6c(C)c5CC4)n3C)cccc2n1,CHEMBL272694,7.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(Br)c5CC4)n3C)cccc2n1,CHEMBL255566,7.9
+CCc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL255567,8.4
+CCc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL271631,8.6
+Cc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL256471,7.1
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)sc6cc5CC4)n3C)cccc2n1,CHEMBL271632,7.7
+CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256477,8.6
+Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6c(cc5CC4)C(=O)N(C(C)C)C6)n3C)cccc2n1,CHEMBL272086,6.9
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6c(cc5CC4)C(=O)N(C(C)C)C6)n3C)cccc2n1,CHEMBL270852,7.4
+Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6c(cc5CC4)C(=O)N(C)C6)n3C)cccc2n1,CHEMBL270853,6.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)C(=O)N(C(C)C)C6)n3C)cccc2n1,CHEMBL272478,7.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)C(=O)N(C)C6)n3C)cccc2n1,CHEMBL272480,6.2
+Cc1cc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2cn1,CHEMBL273199,8.8
+Fc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1,CHEMBL270056,6.23
+Oc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL407818,5.47
+Oc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL272602,5.66
+FCCOc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1,CHEMBL272853,4.82
+FCCOc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1,CHEMBL405260,6.03
+FCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,CHEMBL272873,5.06
+FCCOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,CHEMBL411437,6.49
+Brc1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1,CHEMBL272396,6.03
+Fc1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1,CHEMBL405292,5.47
+Brc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1,CHEMBL272395,6.39
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCF,CHEMBL256492,5.96
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)cc1OC,CHEMBL256637,5.41
+FCCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL255163,5.96
+FCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL272073,5.96
+COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF,CHEMBL404888,5.31
+COc1cc(CN2CCN(c3ccccc3OC)CC2)c(OCCF)cc1OC,CHEMBL270406,6.48
+COc1ccccc1N1CCN(Cc2cccc(OCCF)c2)CC1,CHEMBL270408,6.57
+COc1ccccc1N1CCN(Cc2ccc(OCCF)cc2)CC1,CHEMBL271513,7.11
+Cc1cc(-c2nc3c4c(ccc3o2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)CC4)n(C)n1,CHEMBL272297,7.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(-c7cc(C)nn7C)nc6c5CC4)n3C)cccc2n1,CHEMBL402853,8.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5c(Cl)cc6oc(C)nc6c5CC4)n3C)cccc2n1,CHEMBL403815,6.5
+Cc1nc(C)c(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1,CHEMBL270376,8.3
+Cn1c(SCCCN2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)nnc1-c1ccccc1,CHEMBL270387,8.5
+Cc1ncccc1-c1nnc(SCCCN2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)n1C,CHEMBL255158,7.8
+Cc1ccc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,CHEMBL404404,8.4
+Cc1cnc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,CHEMBL270602,8.2
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(F)(F)C(F)(F)F)nc4c3CC2)n1C,CHEMBL402215,9.1
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)C(F)(F)F)nc6c5CC4)n3C)cccc2n1,CHEMBL271034,9.0
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(C)(F)F)nc4c3CC2)n1C,CHEMBL437792,9.1
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)n1C,CHEMBL271449,8.8
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)F)nc6c5CC4)n3C)cccc2n1,CHEMBL272150,8.4
+CCc1nc2c3c(ccc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL427836,7.9
+CCc1nc2c3c(ccc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL442456,8.1
+Cc1nc2c3c(ccc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL402422,7.0
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C)nc6c5CC4)n3C)cccc2n1,CHEMBL272511,7.2
+Cc1ncoc1-c1nnc(SCCCN2CCc3nc4ccc(C(F)(F)F)cn4c3CC2)n1C,CHEMBL271511,6.4
+Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6ccc(C(F)(F)F)cn6c5CC4)n3C)cccc2n1,CHEMBL271729,6.8
+Cc1ncoc1-c1nnc(SCCCN2CCc3nc4cc(C(F)(F)F)ccn4c3CC2)n1C,CHEMBL272588,6.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6cc(C(F)(F)F)ccn6c5CC4)n3C)cccc2n1,CHEMBL411293,6.6
+Cc1ccn2c3c(nc2c1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL257717,6.8
+CCc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,CHEMBL403804,8.2
+CCc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,CHEMBL256442,8.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C)sc6c5CC4)n3C)cccc2n1,CHEMBL271909,7.5
+Cc1cnc(-c2nnc(SCCCN3CCc4ccc5c(C)noc5c4CC3)n2C)cn1,CHEMBL271702,6.1
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(C(C)(F)F)oc4c3CC2)n1C,CHEMBL272775,8.6
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(C)(F)F)oc6c5CC4)n3C)cccc2n1,CHEMBL256488,8.7
+Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(C(F)(F)F)oc4c3CC2)n1C,CHEMBL256659,7.7
+Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(F)(F)F)oc6c5CC4)n3C)cccc2n1,CHEMBL404363,8.3
+O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,CHEMBL476109,6.26
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.8
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,6.61
+O=C(CCCN1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(F)cc1,CHEMBL476934,6.66
+O=C(CCCN1CC2CCC(C1)N2c1ccccc1)c1ccc(F)cc1,CHEMBL476933,6.22
+CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,CHEMBL289330,9.66
+COc1ccccc1N1CCN(CCCCOc2ccc(C3CN4C=CSC4=N3)cc2)CC1,CHEMBL464395,9.92
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,9.22
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,CHEMBL465014,7.02
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1,CHEMBL514562,7.7
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1,CHEMBL458554,6.77
+COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1,CHEMBL457974,6.68
+COc1ccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)cc1,CHEMBL447907,5.21
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1,CHEMBL456233,8.53
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc2nonc2c1,CHEMBL515535,7.66
+O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1,CHEMBL458758,7.33
+O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2nonc2c1,CHEMBL458759,6.65
+COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1,CHEMBL514908,7.53
+COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1,CHEMBL458354,6.18
+CCCN1CCO[C@@H]2c3cc(C(C)=O)ccc3CC[C@H]21,CHEMBL482978,7.02
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CN(C)C4=O,CHEMBL519201,5.66
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCOC4=O,CHEMBL485325,6.92
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCNC4=O,CHEMBL484732,7.42
+CCCN1CCO[C@H]2c3cc(C(N)=O)ccc3CC[C@@H]21,CHEMBL500627,5.61
+CCCN1CCO[C@@H]2c3cc(C#N)ccc3CC[C@H]21,CHEMBL485352,7.4
+CCCN1CCO[C@@H]2c3cc4c(=O)[nH]ccc4cc3CC[C@H]21,CHEMBL482556,7.72
+CCCN1CCOC2c3cc(C(N)=O)ccc3CCC21,CHEMBL449250,7.71
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CNC4=O,CHEMBL484598,8.38
+CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)COC4=O,CHEMBL485128,8.12
+CCCN1CCO[C@@H]2c3cc(C(=O)O)ccc3CC[C@H]21,CHEMBL482977,5.48
+CCCN1CCO[C@@H]2c3cc(C(=O)Nc4ccc(OC)cc4)ccc3CC[C@H]21,CHEMBL485028,5.56
+CCCN1CCO[C@@H]2c3cc(C(=O)OCC)ccc3CC[C@H]21,CHEMBL485018,5.58
+CCCN1CCO[C@@H]2c3cc(C(N)=O)ccc3CC[C@H]21,CHEMBL484599,7.83
+CCCN1CCO[C@H]2c3cc4c(cc3CC[C@@H]21)CNC4=O,CHEMBL485127,6.05
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.09
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,6.11
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,5.45
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL483593,8.36
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL484357,6.52
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#C[Si](C)(C)C)CC1,CHEMBL485384,7.89
+CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#Cc2ccccc2)CC1,CHEMBL491466,6.82
+C#CC1=CCC(N(CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL484202,8.745
+CC#CC1=CCC(N(CCC)CCCCn2cc(C)nn2)CC1,CHEMBL484203,6.55
+CCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL444128,4.96
+CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL484204,6.02
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1,CHEMBL485227,6.85
+O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084502,7.705
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12,CHEMBL3084524,9.28
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12,CHEMBL3084523,8.7
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12,CHEMBL3084522,8.08
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12,CHEMBL3084521,9.43
+COc1ccc2occ(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(Cl)cc3)C4)c2c1,CHEMBL3084520,8.68
+O[C@]1(c2ccc(Br)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084519,9.04
+O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084518,8.92
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084517,7.49
+O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084516,9.47
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,CHEMBL3084515,9.15
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084514,6.37
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084513,7.75
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,CHEMBL3084512,8.44
+COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(SC)cc3)C4)c2c1,CHEMBL3084511,5.92
+COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(Cl)cc3)C4)c2c1,CHEMBL3084510,7.67
+O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1[nH]nc2ccccc12,CHEMBL3084509,7.07
+CSc1ccc([C@@]2(O)C[C@@H]3CC[C@H](C2)N3Cc2c[nH]c3ccccc23)cc1,CHEMBL3084508,6.27
+COc1ccccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084507,5.19
+O[C@]1(c2ccc3ccccc3c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084506,6.65
+O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084505,7.51
+O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084504,6.32
+O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,CHEMBL3084503,8.2
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL457957,6.49
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL460402,6.61
+CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459350,7.17
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.48
+CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517244,6.83
+CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459373,7.3
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,8.34
+CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517407,7.3
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,CHEMBL464811,6.65
+O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL455288,7.82
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1,CHEMBL456430,6.76
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1c[nH]c2ncccc12,CHEMBL514590,6.89
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12,CHEMBL460854,7.74
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1,CHEMBL460855,5.54
+OC1(c2ccc(Cl)cc2)CCN(CCc2c[nH]c3ccccc23)C1,CHEMBL517564,5.51
+Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL460223,6.43
+Clc1ccc(N2CCC3CCC(C2)N3Cc2c[nH]c3ncccc23)cc1,CHEMBL458342,6.47
+O=C(CCCN1CC2CC1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL514591,6.66
+Clc1ccc(N2CC3CC2CN3Cc2c[nH]c3ncccc23)cc1,CHEMBL514747,7.96
+c1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1,CHEMBL460644,5.82
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1,CHEMBL126889,9.42
+COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3,CHEMBL495573,8.07
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,9.85
+Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL522044,7.48
+Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl,CHEMBL497988,8.09
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,8.35
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,9.98
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1,CHEMBL497574,8.49
+N#Cc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc54)C3=O)CC2)c1,CHEMBL497573,8.43
+N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL497604,9.27
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL462508,10.0
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,9.57
+COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3,CHEMBL461023,7.47
+COc1cccc2c1C1CCN(CCCCNC(=O)C3=Cc4ccccc4CN3)CC1=N2,CHEMBL517730,8.22
+COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627322,9.295
+O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627321,9.59
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1627320,8.34
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1,CHEMBL1627318,8.285
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1627317,8.195
+COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1627315,8.63
+COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1627314,8.98
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1,CHEMBL1627313,8.44
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2[nH]1,CHEMBL1627312,8.28
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1,CHEMBL1627311,8.62
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL1627310,8.765
+CCCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627309,7.21
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1627308,8.855
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1627304,8.58
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1627324,7.95
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1627323,9.36
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,9.49
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,9.415
+COc1ccccc1N1CCN(CCCN2CCc3ccccc3C2=O)CC1,CHEMBL476277,5.8
+COc1ccc(N2CCN(CCCN3CCc4ccccc4C3=O)CC2)cc1,CHEMBL476278,5.0
+O=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1,CHEMBL477961,5.08
+O=C1c2ccccc2CCN1CCCN1CCN(c2ncccn2)CC1,CHEMBL452150,4.61
+O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL516270,5.62
+O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL517349,6.68
+COc1ccccc1N1CCN(CCCN2CCCc3ccccc3C2=O)CC1,CHEMBL476641,6.68
+COc1ccc(N2CCN(CCCN3CCCc4ccccc4C3=O)CC2)cc1,CHEMBL476642,5.96
+O=C1c2ccccc2CCCN1CCCN1CCN(c2ccccn2)CC1,CHEMBL476841,5.38
+O=C1c2ccccc2CCCN1CCCN1CCN(c2ncccn2)CC1,CHEMBL477248,5.08
+O=C1c2ccccc2CCCN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL477446,5.98
+O=C1c2ccccc2CCCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477055,6.41
+COc1ccc(N2CCN(CCCN3CCCCc4ccccc4C3=O)CC2)cc1,CHEMBL477249,5.05
+COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1,CHEMBL477250,8.647
+COc1ccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)cc1,CHEMBL514083,6.31
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccn2)CC1,CHEMBL477434,7.92
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ncccn2)CC1,CHEMBL477435,5.82
+O=C1c2ccccc2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL477646,6.79
+O=C1c2ccccc2CCN1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL514382,8.17
+COc1cccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1,CHEMBL478688,7.39
+COc1ccc(N2CCN(CCCCN3CCCc4ccccc4C3=O)CC2)cc1,CHEMBL477207,7.395
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ccccn2)CC1,CHEMBL476185,6.4
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2ncccn2)CC1,CHEMBL476393,6.2
+O=C1c2ccccc2CCCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL476394,7.84
+COc1ccccc1N1CCN(CCCCCN2CCc3ccccc3C2=O)CC1,CHEMBL476808,7.49
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL551964,5.88
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,CHEMBL560177,8.6
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL559029,8.6
+CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL540241,8.2
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,CHEMBL561512,8.9
+N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,CHEMBL562176,7.8
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,CHEMBL550502,7.9
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,CHEMBL565017,8.8
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,CHEMBL562983,7.7
+CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL559386,7.4
+N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,CHEMBL559856,8.6
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,CHEMBL556272,8.8
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,CHEMBL565031,8.2
+CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,CHEMBL564298,7.0
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,CHEMBL556478,7.2
+Cc1nc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2s1,CHEMBL559780,6.6
+Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,CHEMBL552460,6.7
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12,CHEMBL563247,6.9
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1,CHEMBL559004,6.9
+CC(=O)n1ccc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc21,CHEMBL549759,6.3
+Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,CHEMBL564477,7.2
+O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1,CHEMBL556895,6.7
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1,CHEMBL554914,6.2
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,CHEMBL571229,6.9
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,CHEMBL552366,7.9
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1,CHEMBL560650,7.1
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,CHEMBL552367,6.8
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,CHEMBL553238,6.8
+O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,CHEMBL551386,6.3
+CC(c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,CHEMBL564741,6.3
+CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,CHEMBL552371,8.2
+CC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL561054,8.1
+CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL551914,8.6
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1,CHEMBL569846,8.9
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1,CHEMBL560574,9.0
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,CHEMBL562624,8.8
+N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,CHEMBL552373,9.122
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,CHEMBL559919,8.3
+N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,CHEMBL554073,8.1
+COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,CHEMBL559920,8.0
+O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,CHEMBL550849,7.4
+CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,CHEMBL571456,8.4
+CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,CHEMBL549894,8.5
+CC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,CHEMBL564108,6.9
+CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,CHEMBL570998,6.8
+COc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,CHEMBL550358,6.8
+CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL560715,8.1
+CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,CHEMBL571221,6.8
+COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1,CHEMBL558838,5.21
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1,CHEMBL563614,5.47
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1,CHEMBL564709,8.07
+COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)ncn23)CC1,CHEMBL561262,4.17
+COc1ccc(N2CCN(Cc3c(C)nc4cc(C)ncn34)CC2)cc1,CHEMBL550920,4.89
+COc1ccccc1N1CCN(Cc2cc3c(=O)nc(N(C)C)[nH]c3[nH]2)CC1,CHEMBL552268,6.02
+Clc1nccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c12,CHEMBL559868,5.21
+Cc1cc2nc(C)c(CN3CCN(c4ccccc4)CC3)n2c(C)n1,CHEMBL550392,5.38
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1,CHEMBL554692,5.51
+Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2c(C)n1,CHEMBL563078,5.89
+Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2c(C)n1,CHEMBL562384,6.19
+Cc1cc2nc(C)c(CN3CCN(c4ccc(F)cc4)CC3)n2c(C)n1,CHEMBL549638,4.66
+COc1ccccc1N1CCN(Cc2cnc3cc(C)nc(C)n23)CC1,CHEMBL563109,5.82
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL556288,6.48
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c2c1=O,CHEMBL564688,6.32
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccn4)CC3)c[nH]c2c1=O,CHEMBL551199,6.51
+Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1=O,CHEMBL559399,6.2
+Cn1c(N2CCOCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,CHEMBL561123,5.57
+CCN(CC)CCN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL563635,8.6
+COC[C@@H]1CCCN1N1CCN(c2cccc(Cl)c2)C1=O,CHEMBL555744,7.1
+CC1(C)C[C@@H]2C[C@@](C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,CHEMBL563563,7.9
+O=C1N(CCN2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1,CHEMBL563860,8.6
+COCC1[C@@H]2CC[C@H]1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL541435,6.8
+C[C@@]12CC(c3ccccc3)C[C@@H](C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL551927,7.7
+O=C1N(CCN2C[C@H]3CC[C@H](CC3)C2)CCN1c1cccc(Cl)c1,CHEMBL565075,8.5
+CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,CHEMBL564930,7.8
+O=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,CHEMBL562464,8.6
+O=C1N(CCN2[C@H]3CCC[C@@H]2CC3)CCN1c1cccc(Cl)c1,CHEMBL563580,8.9
+COc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,CHEMBL556496,6.2
+O=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1,CHEMBL557110,7.0
+O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,CHEMBL561128,7.3
+COc1cccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,CHEMBL563926,6.9
+COc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC,CHEMBL554693,6.9
+O=C1N(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CCN1c1cccc(Cl)c1,CHEMBL561326,6.8
+CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1,CHEMBL554738,7.5
+Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1,CHEMBL549438,6.9
+O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,CHEMBL559873,9.2
+CC1(C)[C@@H]2CC[C@]13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C3C2,CHEMBL562833,7.6
+CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL563274,8.2
+CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL558058,8.8
+Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1,CHEMBL564948,7.6
+COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,CHEMBL563435,8.3
+Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,CHEMBL560270,7.7
+CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL562948,8.0
+CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL562836,7.4
+CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL564347,7.3
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1,CHEMBL573792,6.49
+COc1ccc(-n2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,CHEMBL574030,7.34
+O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL572379,5.66
+COc1ccc(-n2cc(CCCC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,CHEMBL572867,7.08
+COc1ccccc1N1CCN(CCNC(=O)c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1,CHEMBL573791,8.31
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,CHEMBL572708,6.55
+CSc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL566508,7.35
+CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL576756,6.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7cccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)c7)nn6)cc5)cc4)nn3)c2)CC1,CHEMBL574569,6.64
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7ccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)cc7)nn6)cc5)cc4)nn3)cc2)CC1,CHEMBL574534,7.15
+CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL570188,8.32
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL570187,8.58
+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL571992,8.65
+CCCN(CCN1CCN(c2cccc3ncccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL568822,8.9
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL456825,8.75
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL514885,9.04
+CCCN(CCN1CCN(c2ccc3ccccc3c2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569003,9.16
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL577073,8.58
+CCCN(CCN1CCN(c2cccc3ncccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL569107,8.92
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL457025,9.08
+CCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569747,9.36
+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL569322,9.36
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL569746,9.24
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)C1CCc2c(cccc2OC)C1,CHEMBL568801,9.4
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(cccc2OC)C1,CHEMBL569977,9.72
+CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1,CHEMBL572270,7.2
+CN(CCN1CCN(C2COOC2)C1=O)CC12CCC(CC1)C2(C)C,CHEMBL567919,7.3
+COc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL596448,6.6
+Oc1ccc2c(c1)CCN1Cc3ccccc3CC21,CHEMBL593897,6.51
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.51
+Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21,CHEMBL593196,6.9
+Cn1c(CN2CCC(c3ccccc3F)CC2)nc2ccccc21,CHEMBL607689,7.0
+Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc21,CHEMBL593744,6.5
+Cn1c(CN2CCC(c3ccccc3C(F)(F)F)CC2)nc2ccccc21,CHEMBL604467,6.3
+Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21,CHEMBL608103,5.8
+Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21,CHEMBL596527,5.4
+Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL593056,5.8
+Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,CHEMBL605836,5.3
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL457024,9.08
+CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL602065,9.73
+CCCN(CCN1CCN(c2ccc(O)c3ncccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL602264,8.25
+CCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)C1CCc2ccc(O)cc2C1,CHEMBL599635,8.995
+CCCN(CCN1CCN(c2ccc(O)c3ncccc23)CC1)C1CCc2c(O)cccc2C1,CHEMBL599841,8.43
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1,CHEMBL1077344,8.3
+CN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,CHEMBL1079190,8.4
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1,CHEMBL1079191,7.1
+O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,CHEMBL1081309,8.8
+Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,CHEMBL1081311,7.1
+Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,CHEMBL1077348,6.9
+COc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,CHEMBL1081487,7.3
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL1081488,9.0
+O=C1N(CCN2CCCCCC2)CCN1c1ccccc1,CHEMBL1081489,7.2
+O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)c1,CHEMBL1081490,7.8
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1,CHEMBL1081491,6.6
+O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1,CHEMBL1083813,7.6
+O=C1N(CCN2CCCCCC2)CCN1c1cccnc1,CHEMBL1083814,7.1
+O=S1(=O)N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1,CHEMBL1084121,6.5
+O=c1n(CCCN2CCCCCC2)ccn1-c1cccc(Cl)c1,CHEMBL1086395,6.9
+O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,CHEMBL1085672,8.4
+O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1,CHEMBL1085903,9.6
+CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1,CHEMBL1087301,6.29
+CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1,CHEMBL1087300,7.37
+Cc1cc(C(F)(F)F)ccc1C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2,CHEMBL1079814,7.0
+Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081580,7.3
+Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(C#N)cc5)C4)n3C)cccc2n1,CHEMBL1079577,7.5
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccccc3C(F)(F)F)C2)n1C,CHEMBL1080189,7.5
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccccc3)C2)n1C,CHEMBL1079667,7.9
+Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(Br)cc5)C4)n3C)cccc2n1,CHEMBL1079497,8.4
+Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@@]3(c3ccc(C(C)(C)C)cc3)C2)n1C,CHEMBL1079823,8.5
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncnc1,CHEMBL1079475,8.8
+Cc1ccc2c(-c3nnc(SCCCN4C[C@@H]5C[C@]5(c5ccc(Br)cc5)C4)n3C)cccc2n1,CHEMBL1080165,8.9
+Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081687,9.0
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccnnc1,CHEMBL1081867,9.0
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081409,9.0
+Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(C(F)(F)F)cc5)C4)n3C)cccc2n1,CHEMBL1080293,9.1
+Cc1ccc(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)cn1,CHEMBL1079640,9.1
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(C)(C)C)cc3)C2)n1C,CHEMBL1079822,9.1
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccccc1,CHEMBL1081686,9.2
+Cc1cnc(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)cn1,CHEMBL1079480,9.2
+Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1079639,9.3
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1079481,9.3
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(C)(C)C)cc3)C2)n1C,CHEMBL1079824,9.5
+Cc1ccc2c(-c3nnc(SCCCN4C[C@@H]5C[C@]5(c5ccc(C(F)(F)F)cc5)C4)n3C)cccc2n1,CHEMBL1081685,9.6
+Cc1nc(C)c(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)s1,CHEMBL1081746,9.6
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1,CHEMBL1080046,8.4
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)nc1,CHEMBL1078595,6.2
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(-c2ccccn2)s1,CHEMBL1078492,6.7
+CN1CCOc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3ccn[nH]3)CC4)ccc21,CHEMBL1078491,6.2
+CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1,CHEMBL1078208,7.7
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(-c2ccccc2)cc1,CHEMBL1078207,7.5
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1Cl,CHEMBL1079311,7.0
+Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,CHEMBL286494,7.46
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,CHEMBL1170096,7.01
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12,CHEMBL1170095,6.72
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1170683,6.96
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL1170094,6.69
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c12,CHEMBL1169904,6.6
+O=C1N(Cc2cn(CCF)nn2)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1171630,9.05
+CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O,CHEMBL1169728,7.22
+O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1170085,8.03
+CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O,CHEMBL1169896,8.68
+O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1,CHEMBL1169895,7.33
+O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1,CHEMBL1172214,8.52
+OC1(c2ccc(I)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1171249,7.95
+OC1(c2ccc(Br)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1172213,7.96
+OC1(c2ccccc2)CCN(Cc2cc3ccccc3s2)CC1,CHEMBL1172212,6.85
+OC1(c2ccc(I)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1170456,7.31
+OC1(c2ccc(Br)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1172210,7.5
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL1172209,5.31
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1172208,5.8
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1170879,5.53
+COc1ccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2c1,CHEMBL1173778,7.17
+COc1cccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c12,CHEMBL1173436,6.88
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1,CHEMBL1173366,6.73
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1,CHEMBL1173711,6.07
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1,CHEMBL1173363,5.53
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1,CHEMBL1173288,7.0
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12,CHEMBL1173287,6.985
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1173285,7.03
+CCN1C[C@H]2C[C@@]2(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1,CHEMBL1224697,8.1
+C=CCN1C[C@H]2C[C@@]2(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1,CHEMBL1224698,8.6
+COc1cc([C@]23CNC[C@H]2C3)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL1224699,8.9
+O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(C(F)(F)F)cc1,CHEMBL1224700,6.6
+O=S(=O)(Nc1ccc([C@]23CNC[C@H]2C3)cc1)c1ccc(OC(F)(F)F)cc1,CHEMBL1224701,6.2
+CC(C)c1ccc(S(=O)(=O)Cc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223598,7.6
+CN(c1ccc([C@]23CNC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1,CHEMBL1223599,7.1
+CC(C)c1ccc(CS(=O)(=O)c2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223600,7.6
+CCCCc1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223601,8.3
+CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1223602,8.2
+CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1,CHEMBL1224638,8.6
+CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34C[C@@H]3CN(C)C4)cc2)cc1,CHEMBL1224639,8.2
+COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223615,6.7
+Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl,CHEMBL1223616,7.6
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1,CHEMBL1223617,6.7
+Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223680,6.88
+Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1,CHEMBL1223681,6.42
+Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C,CHEMBL1223682,6.68
+COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1,CHEMBL271989,7.82
+Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl,CHEMBL1223683,7.64
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,CHEMBL1223747,7.28
+COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1,CHEMBL1223748,7.15
+Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl,CHEMBL1223749,7.72
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1,CHEMBL1223750,7.24
+Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1,CHEMBL1223799,6.91
+Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl,CHEMBL1223800,7.39
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1,CHEMBL1223801,6.84
+Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1,CHEMBL1223802,6.51
+Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl,CHEMBL1223856,6.74
+FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1,CHEMBL1223857,6.71
+FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,CHEMBL1223858,5.63
+FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1,CHEMBL1223859,5.61
+Cc1ncoc1-c1nnc(SCCCNC2CC3CC3(c3ccccc3)C2)n1C,CHEMBL1257335,7.3
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccccc3)C2)n1C,CHEMBL1257447,6.9
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4ccccc4)CC3C2)n1C,CHEMBL1257565,6.8
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1257566,8.1
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4ccc(C(F)(F)F)cc4)CC3C2)n1C,CHEMBL1257686,7.4
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3cccc(C(F)(F)F)c3)C2)n1C,CHEMBL1257687,7.9
+Cc1ncoc1-c1nnc(SCCCN2CCC3(c4cccc(C(F)(F)F)c4)CC3C2)n1C,CHEMBL1257808,8.2
+Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)CC2)n1C,CHEMBL1257809,8.4
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4CC4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1,CHEMBL1257925,8.0
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4CC4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1,CHEMBL1257926,8.4
+Cn1c(SCCCN2CCC3CC3(c3ccc(C(F)(F)F)cc3)CC2)nnc1-c1ccnnc1,CHEMBL1258034,8.4
+Cc1ncoc1-c1nnc(SCCCN[C@H]2CC[C@]3(c4ccc(C(F)(F)F)cc4)CC23)n1C,CHEMBL1258153,6.6
+Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@]3(c4ccc(C(F)(F)F)cc4F)CC23)n1C,CHEMBL1258268,8.5
+Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL1258269,7.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCCc4cc(Br)ccc43)C2)n1C,CHEMBL1258380,8.1
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCCc4ccc(Br)cc43)C2)n1C,CHEMBL1258381,7.8
+COc1ccc2c(c1)CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258492,7.0
+COc1cccc2c1CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258493,7.1
+COc1ccc2c(c1)C1(CCC2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1,CHEMBL1258605,7.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCOc4ccccc43)C2)n1C,CHEMBL1258606,7.0
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(Br)ccc43)C2)n1C,CHEMBL1258712,8.3
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4c(Br)cccc43)C2)n1C,CHEMBL1258713,8.1
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4ccc(Br)cc43)C2)n1C,CHEMBL1258833,8.6
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5ccc(Cl)cc54)C3)n2C)s1,CHEMBL1258834,7.5
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5cc(Cl)ccc54)C3)n2C)s1,CHEMBL1258948,7.5
+Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(F)ccc43)C2)n1C,CHEMBL1258949,6.8
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5ccc(F)cc54)C3)n2C)s1,CHEMBL1257214,7.3
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(C)(C)C)cc2)C3)n1C,CHEMBL1257215,9.2
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(F)(F)F)cc2)C3)n1C,CHEMBL1257336,8.0
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(C(F)(F)F)c2)C3)n1C,CHEMBL1257337,7.3
+Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(F)(F)F)cc2F)C3)n1C,CHEMBL1257448,8.2
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1257688,7.28
+Cc1ccc(C)c(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1257689,7.57
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1257810,7.77
+O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256169,7.42
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,CHEMBL1257811,7.14
+Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3cc(C)ccc3C)CC2)c1,CHEMBL1257927,6.55
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476935,6.507000000000001
+O=C(CCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,CHEMBL1258036,8.0
+Cc1ccc(C)c(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,CHEMBL1258037,7.12
+O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1258154,6.39
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1,CHEMBL1258155,6.54
+O=C(CCCN1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256170,8.38
+Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1,CHEMBL1258270,6.38
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1,CHEMBL1258382,8.8
+Cc1ccc(C)c(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,CHEMBL1258383,8.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc(C)ccc2C)CC1,CHEMBL1258494,8.33
+O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,CHEMBL1256171,8.4
+Cc1ccc(C)c(C(=O)NCCCCN2CCN(c3cc(C)ccc3C)CC2)c1,CHEMBL1258495,7.55
+Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1,CHEMBL1259071,4.72
+Cc1ccc(CNCC2(F)CCN(C(=O)c3csc4ccccc34)CC2)nc1,CHEMBL1259241,5.06
+Cc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1,CHEMBL1258999,4.92
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL45305,5.0
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,7.5
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,7.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,7.1
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,7.0
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,7.0
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.9
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,6.8
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,6.7
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.7
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,6.7
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.28
+Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643899,5.15
+CN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672313,6.05
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL53294,8.99
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684125,8.94
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684132,8.74
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684028,8.57
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684133,8.11
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684130,8.1
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684029,8.09
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684124,8.09
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684131,8.04
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684128,7.7
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684023,7.68
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684135,7.63
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3,CHEMBL1684024,7.46
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684027,7.36
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3,CHEMBL1684129,6.99
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,CHEMBL1684134,6.72
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5)CC4)nn2)c1-3,CHEMBL1684025,6.72
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3,CHEMBL1684126,6.55
+CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3,CHEMBL1684026,6.27
+C#CCOc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3,CHEMBL1684022,5.62
+CCCN1CCc2cccc3c2C1Cc1cccc(OCCCNCCCO)c1-3,CHEMBL1684127,5.35
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689012,8.96
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1,CHEMBL1689011,7.71
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689010,8.08
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689009,8.96
+CN(C)c1ccc(C(=O)NC/C=C/CN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689008,8.44
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCOCCF)cc1,CHEMBL1689007,8.28
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689006,9.77
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1,CHEMBL1689005,8.6
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689004,9.28
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689003,8.16
+CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689002,9.19
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1,CHEMBL1689001,7.86
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(I)ccc2OCCF)CC1,CHEMBL1689000,7.96
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)ccc2OCCF)CC1,CHEMBL1688999,7.87
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(C)ccc2OCCF)CC1,CHEMBL1688998,7.73
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(OCCOCCF)cc2)CC1,CHEMBL1688997,7.74
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688996,8.21
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688995,7.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1,CHEMBL1688994,8.38
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCF)cc2)CC1,CHEMBL1688993,8.21
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688992,8.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688991,8.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL1688990,9.1
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.04
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1,CHEMBL1765629,9.15
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(Cl)c2C1,CHEMBL1765630,9.23
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1,CHEMBL1765631,7.41
+CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1Cc2cccn3ncc(c23)C1,CHEMBL1765632,9.26
+CCCN(CCC)C1Cc2ccccc2C1,CHEMBL1196271,6.55
+CCCN(CCCCNC(C)=O)C1Cc2ccccc2C1,CHEMBL1765635,6.435
+COc1ccc2c(c1)CCCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,CHEMBL1771105,9.57
+COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1,CHEMBL1771106,8.8
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccccc4)ccc3C2=O)CC1,CHEMBL1771107,9.6
+COc1ccccc1N1CCN(CCCCN2CCc3c(cccc3-c3ccccc3)C2=O)CC1,CHEMBL1771108,7.92
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccco4)ccc3C2=O)CC1,CHEMBL1771109,9.68
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771110,9.92
+COc1ccccc1N1CCN(CCCCN2CCCc3cc(-c4cccs4)ccc3C2=O)CC1,CHEMBL1771111,9.54
+COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccncc4)ccc3C2=O)CC1,CHEMBL1771112,9.92
+COc1ccccc1N1CCN(CCCCN2CCc3cc(C#N)ccc3C2=O)CC1,CHEMBL1771113,8.89
+C#Cc1ccc2c(c1)CCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,CHEMBL1771114,9.3
+Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)cc2)no1,CHEMBL1771252,8.4
+Cc1nc(C)c(-c2nnc(SCCCN3CCC4(c5ccc(C(F)(F)F)cc5)CC34)n2C)s1,CHEMBL1771253,9.6
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,CHEMBL1774383,7.69
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL1774384,8.21
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL1774385,7.54
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774532,7.86
+COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774533,8.1
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL1774534,8.02
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL1774535,8.4
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,CHEMBL1774536,8.0
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774537,8.59
+COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL1774538,8.42
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL1774539,8.54
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL1774540,8.34
+COc1ccc2[nH]c(C(=O)NCCC(F)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,CHEMBL1774541,8.82
+O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL1774542,8.21
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1csc2ccccc12,CHEMBL1774543,7.17
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1csc2ccccc12,CHEMBL1774544,7.0
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774545,7.15
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774546,6.89
+CCCN(CCCCN1CCN(c2ccccc2OC)CC1)Cc1ccc2ccccc2c1,CHEMBL1774547,7.09
+CCCN(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2ccccc2c1,CHEMBL1774548,6.98
+OC(CCNCc1ccc2c(c1)Cc1ccccc1-2)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL1774549,6.87
+FC(CCNCc1ccc2c(c1)Cc1ccccc1-2)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL1774550,6.33
+CN(CCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1774551,6.79
+CN(CCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL1773087,6.41
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc2ccccc12,CHEMBL1774552,9.1
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,5.71
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,5.42
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803023,7.51
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803024,7.08
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803025,7.02
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803026,7.13
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803027,7.44
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803028,7.21
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803029,7.14
+CCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803030,6.49
+CCCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803049,6.21
+CCCCn1cc(CCCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803050,6.23
+CCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803051,6.36
+CCOCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1803052,6.6
+CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803053,6.64
+COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1803054,6.66
+COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(C5CCCCC5)CC4)cc3OC)nn2)nn1,CHEMBL1803055,7.0
+O=C1CCc2ccc(OCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1,CHEMBL1813586,5.81
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2N1,CHEMBL1813587,6.06
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)cc2N1,CHEMBL1813588,6.24
+CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)C1=O,CHEMBL1813589,6.37
+COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813590,7.88
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1,CHEMBL1813591,7.87
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1,CHEMBL1813585,6.03
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,CHEMBL1813592,6.11
+COc1cc(C)ccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813593,6.6
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813594,8.27
+O=c1ccc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2[nH]1,CHEMBL1813595,8.57
+COc1ccccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813596,8.13
+COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813597,8.24
+COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813598,8.15
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813599,8.42
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,6.26
+CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1,CHEMBL270299,5.93
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.84
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.54
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,6.65
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.83
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.34
+NCCCNCCSP(=O)(O)O,CHEMBL1006,6.18
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.39
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,9.7
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.78
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,7.38
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.55
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.79
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,9.01
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,7.48
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,6.71
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.83
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,9.03
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,4.33
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,8.6
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,6.11
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,7.31
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.04
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,6.39
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.33
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,5.99
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,9.11
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,6.43
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,6.05
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.74
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,6.19
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.77
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.52
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,7.07
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.35
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.33
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.8
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.01
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.71
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,5.87
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.16
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,6.72
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,8.8
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,6.17
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.21
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,6.84
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,8.35
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.35
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,7.23
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.18
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.96
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,8.58
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,8.02
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.58
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,8.03
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,7.24
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,CHEMBL460291,5.68
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,6.34
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.75
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,5.9
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,7.2
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.47
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.44
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.98
+CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,CHEMBL84158,6.41
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.15
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.28
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.8
+COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,CHEMBL1219,6.1
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.29
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.27
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916548,8.92
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916720,8.7
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,CHEMBL1916552,8.7
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2OC)nn1,CHEMBL1916551,9.15
+COc1cc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,CHEMBL1916550,7.92
+CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN(CCC)C5Cc6ccccc6C5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,CHEMBL1916549,8.74
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1,CHEMBL1923292,5.41
+COc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923293,5.23
+Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,CHEMBL1923415,5.38
+Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cn1,CHEMBL1923416,4.77
+CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928119,6.77
+CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL1928120,8.31
+COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL1928121,7.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL1928122,9.21
+CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL1928123,6.48
+CCOCCOCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL1928124,7.8
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928125,7.08
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928126,9.06
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928127,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928128,9.64
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928129,7.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928130,9.36
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928131,6.46
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1,CHEMBL1928132,9.52
+CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928133,7.11
+CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928134,9.18
+CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928135,6.8
+CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL1928136,8.92
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1926700,8.46
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928137,9.47
+COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928138,8.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,CHEMBL1928139,9.3
+CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1,CHEMBL1928247,6.03
+COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL1928248,6.96
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,6.18
+Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940405,6.89
+Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940406,6.16
+O=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1940407,6.61
+Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940408,6.58
+Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940409,6.37
+Fc1ccc(SCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1,CHEMBL1940410,6.26
+Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1940411,6.05
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940412,6.68
+Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1,CHEMBL1940413,6.127000000000001
+c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL1940414,7.1
+Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940415,6.58
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,7.17
+Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940417,6.11
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,7.07
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,6.8
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.64
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1,CHEMBL1946122,8.39
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1,CHEMBL1946123,8.01
+O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1,CHEMBL1946124,6.23
+Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946125,5.99
+Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946126,6.68
+Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL1946253,5.52
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,6.82
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,6.06
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,5.98
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946258,6.11
+O=C(CCCCN1[C@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL1946744,7.8
+OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1,CHEMBL1946745,7.89
+C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,CHEMBL1949725,6.52
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO,CHEMBL1949728,6.17
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO,CHEMBL1949729,5.33
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,CHEMBL2024517,9.81
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]21,CHEMBL2062848,4.88
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccc2)[C@H]1CO,CHEMBL2062849,5.89
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCC1,CHEMBL2062850,4.96
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1,CHEMBL2062851,6.55
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](C)[C@H]21,CHEMBL2062852,4.68
+CCN(CC)[C@H]1[C@H](CO)[C@@H]2CN(Cc3ccccc3)[C@@H](C)[C@@H]21,CHEMBL2062853,5.75
+C[C@@H]1[C@@H]2[C@H](CN1Cc1ccccc1)[C@H](CO)[C@H]2N1CCCC1,CHEMBL2062854,4.44
+C[C@H]1[C@H]2[C@@H](CN1Cc1ccccc1)[C@@H](CO)[C@@H]2N1CCCC1,CHEMBL2062855,4.96
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]21,CHEMBL2062856,5.1
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)[C@H]1CO,CHEMBL2062857,5.67
+CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccccn3)[C@H]21,CHEMBL2062858,4.44
+CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccccn2)[C@H]1CO,CHEMBL2062859,5.06
+OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCCC1,CHEMBL2062860,5.28
+OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1,CHEMBL2062861,5.82
+O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1802360,8.9
+CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21,CHEMBL2158640,8.96
+Oc1ccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1,CHEMBL2158636,7.3
+Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21,CHEMBL1224527,6.68
+CCCCNC(=O)c1cc2ccccc2[nH]1,CHEMBL2164434,4.67
+CCC(=O)NCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL2165679,7.41
+CCC(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165678,8.32
+CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL26789,7.62
+CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165677,8.72
+CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165676,8.2
+OCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165675,7.44
+COc1ccccc1N1CCN(C)CC1,CHEMBL2165674,6.23
+CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2165673,7.26
+COc1ccccc1N1CCNCC1,CHEMBL9666,5.65
+Clc1cccc(N2CCNCC2)c1Cl,CHEMBL1424807,6.7
+CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180641,5.94
+CCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180640,5.94
+Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1,CHEMBL2180639,6.55
+Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1,CHEMBL2180638,6.77
+CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180637,5.96
+CCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL1188090,7.66
+O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL2204343,8.33
+CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203406,8.44
+CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL2207493,5.6
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.26
+Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12,CHEMBL2205361,5.17
+COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1,CHEMBL2207643,7.08
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,CHEMBL2207642,7.07
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,CHEMBL2207641,7.48
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1,CHEMBL2207640,6.34
+COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,CHEMBL2207639,6.46
+COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,CHEMBL2207638,6.8
+COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,CHEMBL2207637,6.41
+COc1ccccc1N1CCN(Cc2cc(C#N)c3cccccc2-3)CC1,CHEMBL2207636,6.28
+COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,CHEMBL2207635,6.24
+CCCC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207634,6.43
+COc1ccccc1N1CCN(Cc2cc(C#Cc3ccccc3)c3cccccc2-3)CC1,CHEMBL2207633,6.68
+C#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,CHEMBL2207632,6.43
+c1ccc(C[n+]2cc[n+](-c3cccc4[nH]cnc34)cc2)cc1,CHEMBL2298811,6.06
+Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1,CHEMBL2298810,7.02
+Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12,CHEMBL2298809,7.25
+c1ccc(C[n+]2cc[n+](-c3cccc4[nH]ccc34)cc2)cc1,CHEMBL2298808,7.45
+FC(F)(F)c1nc2c(-[n+]3cc[n+](Cc4ccccc4)cc3)cccc2[nH]1,CHEMBL2298812,7.83
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,5.83
+c1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1,CHEMBL2336893,7.74
+c1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1,CHEMBL2336892,7.67
+CNc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386623,8.14
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc(OC)c2OC)CC1,CHEMBL2386622,7.35
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)nc2)CC1,CHEMBL2386621,7.75
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)nc2)CC1,CHEMBL2386620,7.82
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1,CHEMBL2386619,8.1
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)s2)CC1,CHEMBL2386618,8.32
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,CHEMBL2386617,7.94
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCO)cc2)CC1,CHEMBL2386616,7.88
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccccc3)s2)CC1,CHEMBL2386615,8.05
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2386614,8.82
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL2386613,8.6
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1,CHEMBL2386612,8.12
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(F)cc2)CC1,CHEMBL2386611,8.06
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL2386610,8.43
+C=Cc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,CHEMBL2386609,8.74
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL2386608,8.05
+COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL2386607,8.26
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(SC)cc2)CC1,CHEMBL2386606,8.54
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL2386605,8.41
+COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,CHEMBL2386604,9.15
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,8.68
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,CHEMBL2386603,8.85
+CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397385,6.89
+CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1,CHEMBL3216146,7.28
+CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397383,7.55
+CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397382,7.77
+CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL2397381,7.26
+Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL2397380,7.64
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2397480,9.37
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cc3ccccc3s2)CC1,CHEMBL2397479,9.62
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cnn(CCCC)n3)c(OC)c2)CC1,CHEMBL2397478,9.0
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cnn(CCCC)n3)c(OC)c2)CC1,CHEMBL2397477,8.37
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL2397476,8.0
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cnn3ccccc23)CC1,CHEMBL2397392,8.07
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL2397391,8.0
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2cc3ccccn3n2)CC1,CHEMBL2397390,8.49
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.0
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.0
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,5.05
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.66
+Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl,CHEMBL2420895,6.91
+CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL2420894,6.99
+Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl,CHEMBL2420893,7.39
+CCOc1ccccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2420892,7.37
+Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl,CHEMBL2420891,7.28
+CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1,CHEMBL2420890,7.35
+Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl,CHEMBL2420782,7.04
+CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1,CHEMBL2420781,7.23
+Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl,CHEMBL2420780,7.39
+CCOc1ccccc1N1CCN(Cc2cccnc2)CC1,CHEMBL2420779,7.38
+Oc1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420778,6.66
+Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl,CHEMBL2420777,7.21
+CCOc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420773,6.95
+Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl,CHEMBL2420772,7.35
+Clc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420771,6.37
+Fc1ccccc1N1CCN(Cc2cccs2)CC1,CHEMBL2420770,5.72
+c1ccc(N2CCN(Cc3cccs3)CC2)cc1,CHEMBL2420769,5.78
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,5.17
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,5.27
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,5.57
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.98
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.06
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4cnco4)cc3)nn2)CC1,CHEMBL2430438,6.87
+COc1ccccc1N1CCN(CCCCn2cc(-c3cccnc3)nn2)CC1,CHEMBL2430439,6.88
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(N)cc3)nn2)CC1,CHEMBL2430440,8.57
+COc1ccc(-c2cn(CCCCN3CCN(c4ccccc4OC)CC3)nn2)cc1,CHEMBL2430441,7.4
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(Br)cc3)nn2)CC1,CHEMBL2430442,6.96
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1,CHEMBL2443008,5.24
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1,CHEMBL2443007,5.54
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1,CHEMBL2443006,6.7
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1,CHEMBL2443005,5.55
+COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1,CHEMBL2443004,4.77
+COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1,CHEMBL2443003,4.6
+COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1,CHEMBL2443002,4.77
+COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1,CHEMBL2443001,5.12
+COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1,CHEMBL2443000,5.29
+COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1,CHEMBL2443010,5.77
+COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1,CHEMBL2443009,6.1
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,5.49
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,5.815
+Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2,CHEMBL3115582,8.03
+Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2,CHEMBL3115581,7.415
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1OCCCCF)CC2,CHEMBL3115580,7.485
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2,CHEMBL3115579,7.98
+Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115578,7.65
+Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2,CHEMBL3115577,7.62
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1I)CC2,CHEMBL3115576,8.765
+Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2,CHEMBL3115575,8.32
+Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2,CHEMBL3115574,8.055
+C[C@@H]1NCCc2cc(O)c(O)cc21,CHEMBL1195032,6.3
+COc1ccc2c(C(=O)NC/C=C/CN3CCN(c4ccccc4OCCF)CC3)c[nH]c2c1,CHEMBL3133874,8.43
+COc1ccc2[nH]cc(C(=O)NC/C=C/CN3CCN(c4ccccc4OCCF)CC3)c2c1,CHEMBL3133873,8.49
+COc1ccc2[nH]cc(C(=O)NC/C=C/CN3CCN(c4ccccc4OC)CC3)c2c1,CHEMBL3133872,8.52
+COc1ccc2[nH]cc(C(=O)NCCCCN3CCN(c4ccccc4OCCF)CC3)c2c1,CHEMBL3133871,9.41
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccccc12,CHEMBL3133870,9.05
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1,CHEMBL3133869,8.08
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1,CHEMBL3133868,8.42
+COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,CHEMBL3133867,8.43
+COc1ccc2[nH]c(C(=O)NC/C=C/CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL3133866,8.36
+COc1ccc2[nH]c(C(=O)NC/C=C/CN3CCN(c4ccccc4OCCF)CC3)cc2c1,CHEMBL3133865,8.51
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2[nH]1,CHEMBL3133864,8.4
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2[nH]1,CHEMBL3133863,8.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1,CHEMBL3133862,8.82
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1,CHEMBL3133780,8.96
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,CHEMBL3133779,9.37
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,CHEMBL3133875,9.74
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.5
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,6.73
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,5.87
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,5.96
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL291439,6.2
+CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc21,CHEMBL1503220,5.72
+CN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)NCCc3cccs3)cc21,CHEMBL3234522,5.04
+CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc21,CHEMBL3234536,6.64
+CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(C#N)cc3)cc21,CHEMBL3234537,6.89
+CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc21,CHEMBL3234538,6.06
+CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@H](C)c3ccc4ccccc4c3)cc21,CHEMBL3234539,5.47
+CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(Br)cc3)cc21,CHEMBL3234541,6.43
+CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3cccnc3)cc21,CHEMBL3234542,4.68
+CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCCN3CCCC3)cc21,CHEMBL3234543,6.46
+CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCCc3cccs3)cc21,CHEMBL3234544,5.39
+Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F,CHEMBL3234237,5.94
+CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL267932,9.58
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1,CHEMBL3265067,8.55
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+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1Cl,CHEMBL3265064,7.66
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)C1CC1c1ccc(Cl)cc1,CHEMBL3265063,8.58
+Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl,CHEMBL3287390,8.15
+Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl,CHEMBL3287391,8.0
+Clc1cccc(N2CCN(CCCCOc3ccc4ccnn4c3)CC2)c1Cl,CHEMBL3287392,8.64
+Clc1cccc(N2CCN(CCCCOc3cccc4ccnn34)CC2)c1Cl,CHEMBL3287393,8.14
+Clc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl,CHEMBL3287394,8.46
+CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287395,8.68
+OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287396,8.89
+O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287397,8.16
+O=Cc1cnn2cccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,CHEMBL3287398,7.7
+O=Cc1cnn2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,CHEMBL3287399,8.7
+O=Cc1cnn2c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc12,CHEMBL3287400,8.19
+O=Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nn2ccccc12,CHEMBL3287401,8.23
+O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287402,8.22
+O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287404,9.07
+N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,CHEMBL3287405,8.82
+N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,CHEMBL3287406,8.72
+O=C(NCC[C@@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287279,8.16
+O=C(NCC[C@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287280,7.54
+O=C(NCCC(CF)N1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL3287281,6.25
+O=S(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3289383,5.87
+O=C1c2ccc(F)cc2CC1CCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3289642,5.605
+O=C1c2ccccc2CC1CCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3289643,5.34
+Fc1ccc2c(c1)CC(CCN1CCN(c3ccc(Cl)cc3)CC1)C2,CHEMBL3289644,5.56
+FC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL3289645,6.45
+Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1,CHEMBL3289646,6.715
+Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1,CHEMBL3289647,6.785
+Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1,CHEMBL3289648,6.805
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,7.51
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,6.67
+Clc1ccc(N2CCN(CCCCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3289649,6.92
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3289650,7.48
+Clc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1,CHEMBL3286429,6.74
+Clc1ccc(N2CCN(CCc3nc4ccccc4o3)CC2)cc1,CHEMBL3289651,6.07
+Clc1ccc(N2CCN(CCCc3cc4ccccc4o3)CC2)cc1,CHEMBL3289653,5.64
+Clc1ccc(N2C[C@H]3C[C@@H]2CN3CCCc2cc3ccccc3o2)cc1,CHEMBL3289654,6.17
+Clc1ccc(N2CCCN(CCCc3cc4ccccc4o3)CC2)cc1,CHEMBL3289655,5.84
+c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1,CHEMBL2037521,7.0
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.96
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,CHEMBL8514,10.4
+CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2,CHEMBL3344458,7.4
+COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2,CHEMBL3344459,7.7
+COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL487387,7.285
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C,CHEMBL3358493,9.4
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1,CHEMBL3358494,8.4
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL3358492,8.06
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)n1,CHEMBL3358107,7.62
+O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1,CHEMBL3358106,6.25
+O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1,CHEMBL3358105,9.52
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1,CHEMBL3358104,9.7
+COc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1,CHEMBL3358103,7.4
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1,CHEMBL3358102,8.77
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2cn1,CHEMBL3358101,7.92
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358100,8.3
+COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,CHEMBL3358099,8.03
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358098,7.39
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)n1,CHEMBL3358495,7.34
+O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2cn1,CHEMBL3358496,6.69
+O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1cc2ccccc2cn1,CHEMBL3358497,7.85
+O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1,CHEMBL3358498,8.52
+O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358499,7.8
+O=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1cc2ccccc2cn1,CHEMBL3358500,7.62
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL3358501,7.21
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358502,7.28
+COc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,CHEMBL3358503,7.51
+O=C(NCCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2n1,CHEMBL3358504,6.73
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccccc2N1,CHEMBL3358505,7.14
+Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358506,6.91
+O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1,CHEMBL3358507,7.35
+Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCc4ccccc4N3)CC2)c1,CHEMBL3358508,6.8
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1,CHEMBL3358509,9.22
+Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358510,7.14
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1,CHEMBL3358511,7.26
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1,CHEMBL3358512,9.05
+O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1ccccc1,CHEMBL3358513,7.4
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL3358514,6.84
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)c1,CHEMBL3358515,6.67
+COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1,CHEMBL3358517,6.7
+COc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)n3)CC2)c1,CHEMBL3358518,7.57
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cccnc1,CHEMBL3358519,7.21
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NC(N)=O)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335470,9.12
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335471,9.21
+N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NS(N)(=O)=O)CC3)CC2)cc(C(F)(F)F)c1,CHEMBL3335472,9.17
+c1ccc(CCC2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1,CHEMBL3335535,4.97
+c1ccc(CC[C@H]2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1,CHEMBL3335536,4.59
+c1ccc(CC[C@@H]2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1,CHEMBL3335537,4.8
+FC(F)(F)Oc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335538,5.56
+COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,CHEMBL3335539,5.56
+FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335554,5.56
+Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,CHEMBL3335555,5.56
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353900,8.05
+COc1ccccc1N1CCN(CCCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353899,8.74
+COc1ccccc1N1CCN(CCCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353898,8.43
+COc1ccccc1N1CCN(CCCc2cn(-c3cccc4cnccc34)nn2)CC1,CHEMBL3353897,7.44
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353896,8.51
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353895,8.3
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1,CHEMBL3353894,7.65
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353901,8.09
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,CHEMBL3353902,8.2
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353903,7.58
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353904,8.19
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(F)cc3)nn2)CC1,CHEMBL3353905,8.49
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353906,7.03
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353907,7.6
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3OC)nn2)CC1,CHEMBL3353908,7.68
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353909,7.53
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353910,7.86
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,CHEMBL3353911,8.17
+COc1ccccc1N1CCN(CCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353912,8.02
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353913,8.68
+COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,CHEMBL3353914,8.64
+COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3O)nn2)CC1,CHEMBL3353915,8.17
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3O)nn2)CC1,CHEMBL3353916,8.54
+CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323667,6.94
+CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323668,7.14
+CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323669,6.89
+CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323670,6.84
+CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323666,6.82
+CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323665,6.83
+CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323663,6.32
+Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,CHEMBL3323662,6.3
+Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,CHEMBL3323661,6.55
+Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL3323660,6.24
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1,CHEMBL3323659,6.29
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1,CHEMBL3323658,6.92
+CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,CHEMBL3323657,6.29
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1,CHEMBL3323656,7.19
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1,CHEMBL3323655,5.96
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1,CHEMBL3323653,6.12
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1,CHEMBL1221682,6.07
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1,CHEMBL3323654,5.94
+O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1,CHEMBL1221681,6.05
+OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,CHEMBL1263,5.98
+COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,CHEMBL1256786,5.79
+CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,CHEMBL1095777,5.98
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)[C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323117,8.03
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323116,7.44
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)C3CCN(c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1,CHEMBL3323115,7.49
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4c(CO)cccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323113,7.35
+CN(C)Cc1c(C(=O)NCCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)nc2ccccn12,CHEMBL3323112,7.745
+CN(C)Cc1c(C(=O)NCCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)[nH]c2ccccc12,CHEMBL3323019,7.6
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3sc4ncccc4c3N)CC2)cc(C(F)(F)F)n1,CHEMBL3323018,7.46
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4nc(Cl)ccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323017,8.0
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccncc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323016,8.1
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4cccnc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323015,7.92
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4cccnc4s3)CC2)cc(C(F)(F)F)n1,CHEMBL3323014,7.49
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3nc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL3323013,8.37
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1,CHEMBL3323012,7.96
+CC(C)(C)c1nc(C2CC2)cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)n1,CHEMBL3323010,8.08
+CC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(C)(C)C)n1,CHEMBL3323009,7.72
+Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(C)(C)C)n1,CHEMBL3323008,8.03
+Cc1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)n1,CHEMBL3323007,6.87
+Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(F)(F)F)n1,CHEMBL3323006,6.83
+Cc1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1,CHEMBL3323005,5.7
+CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c2ccccc2n1,CHEMBL3323004,7.11
+O=C(NCCCCN1CCN(c2ncnc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3323003,6.6
+O=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1,CHEMBL3323002,7.11
+O=C(NCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cn2ccccc2n1,CHEMBL3323001,7.54
+O=C(NCCCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cn2ccccc2n1,CHEMBL3323000,7.0
+O=C(NCCCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3322999,6.28
+O=C(NCCCCN1CCN(c2ccnc3ccccc23)CC1)c1cn2ccccc2n1,CHEMBL3322998,7.7
+CC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)c1,CHEMBL3322997,6.91
+N#Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)c1,CHEMBL3322996,8.19
+O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cn2ccccc2n1,CHEMBL3322995,8.54
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn2ccccc2n1,CHEMBL3322994,9.52
+COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1,CHEMBL3322993,8.46
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cn2ccccc2n1,CHEMBL3322992,8.0
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,8.01
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,8.39
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,9.15
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,7.96
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,8.89
+O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318831,7.85
+O=C(CCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318832,7.51
+O=C(CCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318833,7.96
+O=C(CCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318834,7.96
+O=C(CCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318835,8.19
+O=C(CCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318836,8.04
+O=C(CCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318837,7.41
+O=C(CCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318838,6.68
+O=C(CCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318839,6.8
+O=C(CCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318840,6.66
+O=C(CCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318841,6.42
+O=C(CCCCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318842,7.09
+O=C(CCCCCCCCCCCCCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318843,6.3
+Cc1ccc(C(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL3318844,6.57
+CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318845,7.25
+CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318824,7.39
+CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL1200986,8.46
+O=C(CCN1CCN(CCC(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318846,8.02
+CN(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)CCN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318847,7.33
+CN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318848,7.52
+O=C(CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318849,8.74
+O=C(CCc1cn(CCCCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318850,8.23
+O=C(CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3317465,8.01
+O=C(CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL3318851,7.72
+O=C(CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3318852,5.77
+Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1,CHEMBL3407810,6.3
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,10.0
+C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577342,9.2
+C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1,CHEMBL3577343,8.66
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,CHEMBL3577344,8.8
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577345,8.92
+CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1,CHEMBL3577346,9.68
+Cc1ccc(Cl)c(N2CCN(CCCCNC(=O)c3ccc4oc(=O)[nH]c4c3)CC2)c1,CHEMBL3590086,8.6
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL3590085,8.5
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,CHEMBL3590077,8.52
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)c(F)c2)CC1,CHEMBL3590078,9.14
+COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2cc(F)c(F)c(F)c2)CC1,CHEMBL3590079,8.85
+CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590080,9.51
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590081,9.07
+CCCN(CCCCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3590082,8.7
+CCCN(CCCCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3590083,8.31
+CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3590084,7.85
+CCCN(CCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,CHEMBL3589575,8.85
+CCCN(CCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589576,8.55
+CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,CHEMBL3589577,7.06
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588913,8.53
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588914,8.8
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588915,8.51
+COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4cnccc4c3)nn2)CC1,CHEMBL3588916,7.88
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5ccccc5c4)nn3)CC2)c1Cl,CHEMBL3588917,8.42
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,CHEMBL3588918,8.3
+Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,CHEMBL3588919,9.0
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588920,7.95
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588921,8.26
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588981,8.26
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1,CHEMBL3588982,8.17
+COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL3588983,8.23
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5ccccc5c4)nn3)CC2)c1Cl,CHEMBL3588984,8.11
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,CHEMBL3588985,7.85
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,CHEMBL3588986,8.83
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5ncccc5c4)nn3)CC2)c1Cl,CHEMBL3588987,8.87
+Clc1cccc(N2CCN(CCCCn3cc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)c1Cl,CHEMBL3588988,8.08
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4ccccc4c3)nn2)CC1,CHEMBL3588989,7.39
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,CHEMBL3588990,7.52
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccccc3)nn2)CC1,CHEMBL3588991,6.76
+COc1ccccc1-c1cn(CCC(O)CN2CCN(c3ccccc3OC)CC2)nn1,CHEMBL3588992,6.31
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,CHEMBL3588993,7.73
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4ncccc4c3)nn2)CC1,CHEMBL3588994,7.17
+OC(CCn1cc(-c2ccc3ccccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588995,7.6
+OC(CCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588996,7.25
+COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,CHEMBL3588997,7.47
+OC(CCn1cc(-c2ccc3[nH]ccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3588998,8.23
+OC(CCn1cc(-c2ccc3ncccc3c2)nn1)CN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3589650,7.74
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL3589651,8.54
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,CHEMBL3589652,9.63
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL3597641,9.41
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL3597642,9.04
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2[nH]1,CHEMBL3597643,9.93
+COc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1,CHEMBL3597644,9.76
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2o1,CHEMBL3596212,9.61
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3597645,9.89
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL3597646,7.01
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3cc(F)ccc3n2)CC1,CHEMBL3597647,8.6
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cc(F)ccc3n2)CC1,CHEMBL3597648,7.27
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597649,7.47
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CC1,CHEMBL3597650,8.67
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(F)cc3c2)CC1,CHEMBL3597651,7.35
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(C)cc3c2)CC1,CHEMBL3597652,7.28
+COc1ccc2ncc(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1,CHEMBL3597653,7.16
+COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cccnc3c2)CC1,CHEMBL3597654,7.42
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597635,9.45
+O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1,CHEMBL3597636,8.44
+COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597637,8.7
+COc1c(Cl)cccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1,CHEMBL3597638,7.5
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1,CHEMBL3597639,9.24
+O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1,CHEMBL3597640,8.09
+COc1ccc2nc(NC(=O)CCCCN3CCN(c4ccc(Cl)cc4)CC3)sc2c1,CHEMBL3605344,8.03
+O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1,CHEMBL3605331,8.41
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+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1ccncc1,CHEMBL3775214,8.3
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccccn1,CHEMBL3775554,8.8
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccncc1,CHEMBL3774490,8.7
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnc1,CHEMBL3775604,8.5
+Cc1cc(-c2nnc(SCCCN3CC4CCN(c5ccc(C(F)(F)F)cc5)C4C3)n2C)on1,CHEMBL3775482,8.6
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1nccs1,CHEMBL3775256,8.7
+Cn1cc(-c2nnc(SCCCN3CC4CCN(c5ccc(C(F)(F)F)cc5)C4C3)n2C)cn1,CHEMBL3775036,8.5
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnn1,CHEMBL3775583,7.3
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccnnc1,CHEMBL3774534,7.9
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccncn1,CHEMBL3775810,8.9
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cncnc1,CHEMBL3775572,7.3
+Cn1c(SCCCN2CC3CCN(c4c(F)cc(F)cc4F)C3C2)nnc1-c1cnccn1,CHEMBL3774519,9.0
+Cn1c(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)nnc1-c1cnccn1,CHEMBL3775771,8.6
+Cn1c(SCCCN2CC3CCN(c4c(F)cccc4C(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3775946,8.4
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4C(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3774911,7.6
+COc1cc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)ccc1F,CHEMBL3775753,8.5
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4F)C3C2)nnc1-c1cnccn1,CHEMBL3774591,8.133
+Cn1c(SCCCN2CC3CCN(c4ccccc4C#N)C3C2)nnc1-c1cnccn1,CHEMBL3775631,8.2
+Cn1c(SCCCN2CC3CCN(c4cccc(C#N)c4)C3C2)nnc1-c1cnccn1,CHEMBL3775667,8.7
+Cn1c(SCCCN2CC3CCN(c4ccc(C#N)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3775097,6.9
+Cn1c(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)nnc1-c1cnccn1,CHEMBL3774621,9.1
+Cn1c(SCCCN2CC3CCN(c4cccc(OC(F)(F)F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774895,9.5
+Cn1c(SCCCN2CC3CCN(c4ccc(OC(F)(F)F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3775386,7.9
+COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21,CHEMBL3775618,7.8
+COc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1,CHEMBL3774412,8.1
+COc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1,CHEMBL3775023,7.5
+Cc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21,CHEMBL3774927,6.9
+Cc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1,CHEMBL3775836,8.4
+Cc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1,CHEMBL3775071,8.1
+Cn1c(SCCCN2CC3CCN(c4ccccc4F)C3C2)nnc1-c1cnccn1,CHEMBL3775294,7.9
+Cn1c(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774869,8.3
+Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3774996,8.7
+Cn1c(SCCCN2CC3CCN(c4cccc(C(F)(F)F)c4)C3C2)nnc1-c1cnccn1,CHEMBL3774425,9.7
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cnccn1,CHEMBL3774683,8.633
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)n1C,CHEMBL3775872,9.0
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)n1C,CHEMBL3775967,8.6
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(Cl)cc4Cl)C3C2)n1C,CHEMBL3775301,8.3
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cc(Cl)cc(Cl)c4)C3C2)n1C,CHEMBL3775338,9.4
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)n1C,CHEMBL3775005,8.5
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(OC(F)(F)F)cc4)C3C2)n1C,CHEMBL3775395,7.9
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)n1C,CHEMBL3774540,8.667
+CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC,CHEMBL3780812,5.74
+COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O,CHEMBL3780438,5.57
+COc1cc2c(cc1O)C(C)N(Cc1cccc(O)c1OC)CC2,CHEMBL3780975,5.86
+COc1cc2c(cc1O)C1Cc3ccc(OCC4CC4)c(OC)c3CN1CC2,CHEMBL3780184,7.27
+COc1cc2c(cc1O)C1Cc3ccc(OCCCO)c(OC)c3CN1CC2,CHEMBL3780268,6.96
+CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781035,6.66
+CCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780140,7.0
+CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781840,7.19
+CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780506,7.28
+CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3779928,7.36
+COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL3780481,7.43
+COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL595489,7.0
+COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800400,5.77
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3800468,6.1
+COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,CHEMBL3799455,7.74
+COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800303,7.21
+COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3799427,6.18
+COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,CHEMBL3800636,7.92
+COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3798748,6.16
+COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3797205,6.4
+COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,CHEMBL3800341,8.46
+COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL3797876,5.66
+COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1,CHEMBL3799593,6.21
+COc1ccccc1OCCNCCc1ccc(O)c(O)c1,CHEMBL3797758,7.6
+CC(C)NCC(O)c1ccc(O)c(O)c1,CHEMBL434,5.33
+CCCN[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1,CHEMBL3800165,7.49
+CCCN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL3797740,6.76
+CCCN(CCC)[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1,CHEMBL3797209,8.345
+CCCn1c(=O)n2c3c(cccc31)C[C@@H](NC)C2,CHEMBL3799157,6.865
+CN[C@@H]1Cc2cc(C#N)cc3[nH]c(=O)n(c23)C1,CHEMBL3798018,4.57
+CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL26181,7.57
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,6.3
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,7.745
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,7.68
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,CHEMBL3818478,7.505
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL3818398,6.79
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,7.195
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.96
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,7.29
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL3818799,7.49
+O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,CHEMBL3819403,6.615
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,7.55
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.54
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3818940,6.03
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,7.89
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,7.795
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,7.49
+O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL297302,9.54
+O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL273241,6.305
+O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,CHEMBL3817911,6.2
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,6.33
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,6.79
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,5.22
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,6.11
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,6.93
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,6.79
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,7.14
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.79
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.47
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,7.82
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,7.42
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,6.84
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,7.77
diff --git a/chembl_200/CHEMBL2345.csv b/chembl_200/CHEMBL2345.csv
new file mode 100644
index 0000000000000000000000000000000000000000..633b67c82f5711bb2679e8b0a55ebdcf46909f59
--- /dev/null
+++ b/chembl_200/CHEMBL2345.csv
@@ -0,0 +1,428 @@
+COc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1,CHEMBL378627,5.44
+Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,CHEMBL379218,6.24
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.4
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.8
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,6.0
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.5
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.0
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,8.6
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.5
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.8
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,8.0
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.5
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.1
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.6
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.2
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.6
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,5.9
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,5.5
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.3
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.3
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,8.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.0
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,5.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.2
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.9
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,5.2
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.0
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.1
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.1
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.4
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.8
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,5.8
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.0
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.2
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.1
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.7
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.6
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.6
+COc1ccc(OC)c(CNC(=O)c2cc(N)c(C#N)c(OC(C)C)n2)c1,CHEMBL1982541,5.3
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,5.5
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.9
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,7.3
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.5
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.3
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.0
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.6
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.1
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,5.5
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,5.2
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.7
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.6
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,6.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,6.1
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,5.6
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.0
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.1
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,5.9
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,5.8
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.7
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.2
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.9
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,5.8
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.8
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.1
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,5.6
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.8
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.9
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,7.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,6.7
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.1
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.6
+Nc1ccc2[nH]c(=O)cnc2c1,CHEMBL2002635,5.1
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.7
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.6
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.9
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.5
+Nc1nccc2nc(-c3ccccc3)cn12,CHEMBL2004887,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.6
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.3
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.5
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.2
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,4.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.9
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.3
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,6.7
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.0
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,5.5
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.0
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,5.4
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.4
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,6.0
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.4
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.4
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.8
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,7.1
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.5
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,6.3
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,6.0
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,5.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.7
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.1
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,5.3
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.2
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL260933,5.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.1
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.3
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,5.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.5
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.4
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.9
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.2
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.6
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,7.3
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,5.6
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.1
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.8
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.8
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,8.0
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,6.1
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.7
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.6
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.9
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.3
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.6
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,6.7
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,6.4
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.5
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.6
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,6.8
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.2
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.2
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.9
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.0
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.1
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.2
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,5.9
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,5.4
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.7
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.9
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,5.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.3
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,9.0
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,8.1
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.6
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.6
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.0
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.0
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,5.7
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.2
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.3
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,8.0
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,7.4
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.3
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.3
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,5.8
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.9
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,7.0
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.5
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.2
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,5.1
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.5
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.5
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.2
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.8
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.7
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,8.1
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.1
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.9
+CN(C)c1ncnc2nc[nH]c12,CHEMBL407391,5.3
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.4
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.2
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.3
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.1
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.2
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.5
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.0
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.7
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.5
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.8
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.4
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.7
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.8
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.2
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,7.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.2
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.4
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.2
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.8
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.1
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.9
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.1
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.3
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.9
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,6.1
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.2
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.4
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.9
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.3
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.1
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.8
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.4
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,5.9
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.3
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.3
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.5
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.4
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,6.5
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,6.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,5.8
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.3
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.5
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.8
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.3
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,7.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.2
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,8.1
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,5.6
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.9
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.5
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.9
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.3
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,7.9
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.6
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.4
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.9
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.7
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.8
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.5
+Cc1ccc2c(=O)nc[nH]c2c1,CHEMBL1949851,5.3
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.5
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.1
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.8
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,6.4
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.8
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.6
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,6.4
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.1
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,7.6
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,5.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.4
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,5.8
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,5.8
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.5
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.2
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.2
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,5.6
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.2
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.1
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.1
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.5
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.5
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.1
+Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL2001224,7.0
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.8
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.9
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.1
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.3
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.8
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.8
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.1
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.4
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.9
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.6
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.1
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,6.6
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,7.3
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.3
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.5
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,5.8
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,6.4
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,5.6
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,6.7
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.3
+Nc1ncnc2sccc12,CHEMBL1972934,4.5
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.7
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,5.4
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,6.3
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.5
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.0
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.6
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.7
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.3
+COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,CHEMBL235157,6.3
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,6.1
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.3
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.7
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.0
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1,CHEMBL2005375,5.2
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.4
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.8
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.6
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.5
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.4
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.4
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.1
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.1
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.6
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,8.3
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.1
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.3
+N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,CHEMBL1980802,6.3
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,7.4
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.1
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.2
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.2
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.6
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,5.4
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.9
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,7.8
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.6
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.4
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.8
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,6.5
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.2
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.4
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.0
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.3
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.8
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.4
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.2
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.0
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.9
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.5
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,7.7
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.1
+CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12,CHEMBL1990541,5.2
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.2
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.2
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.6
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.4
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.3
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,6.0
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1987648,5.1
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,4.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.3
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.6
+COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL202635,6.1
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,6.4
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.9
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.7
+CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1,CHEMBL1993374,5.5
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.2
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.7
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.5
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.0
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.0
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.4
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.5
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,5.5
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.6
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,6.2
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,5.6
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.0
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.8
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.2
diff --git a/chembl_200/CHEMBL235.csv b/chembl_200/CHEMBL235.csv
new file mode 100644
index 0000000000000000000000000000000000000000..231557970f06d473651c51c8f6bb45af761ddd43
--- /dev/null
+++ b/chembl_200/CHEMBL235.csv
@@ -0,0 +1,353 @@
+Cc1oc(-c2cccs2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL82602,8.52
+CCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83059,5.96
+C=CCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL420401,6.22
+CCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83875,7.32
+CCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL84181,7.21
+CCCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83924,6.57
+CC/C=C/C(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83058,5.92
+CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O,CHEMBL7594,5.82
+C/C=C/CC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83489,5.92
+CCCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL432747,7.74
+CCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL79359,6.54
+C=CCC/C=C/C(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL314016,5.17
+CCCCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL84491,6.89
+C=CCC/C=C/C(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83612,7.74
+CCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL81985,6.74
+CCCCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL82041,7.7
+CCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83677,5.85
+CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL306229,8.6
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2o1,CHEMBL17805,7.63
+COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC,CHEMBL307544,6.22
+CN(CCOc1ccc(CC(Oc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL65805,9.4
+COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL67948,7.82
+CN(CCOc1ccc(CC(Cl)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL67098,7.48
+CN(CCOc1ccc(CC(Sc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL66767,7.43
+COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1,CHEMBL70005,5.22
+CN(CCOc1ccc(CC(CCCc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL304046,7.52
+CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL303389,5.82
+COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,CHEMBL24458,6.48
+CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O,CHEMBL24038,7.05
+CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,CHEMBL595,6.007000000000001
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1,CHEMBL94306,7.22
+COc1ccc(CCc2c(-c3ccccc3)[nH]c3ccc(CC(=O)O)cc23)cc1,CHEMBL320553,7.31
+CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,CHEMBL282686,7.74
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCOCC2)cc1,CHEMBL104246,6.8
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](NS(C)(=O)=O)C(=O)O)cc1,CHEMBL105088,6.21
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL107367,8.945
+CN[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL104458,5.68
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCCCC2)cc1,CHEMBL431448,6.32
+CCCN[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL321634,7.28
+COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL106666,8.43
+CC(=O)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL107741,5.59
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(=O)O)cc1,CHEMBL104494,6.55
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCCC2)cc1,CHEMBL326668,6.44
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)n2c(C)ccc2C)cc1,CHEMBL107794,6.01
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N(C)C)cc1,CHEMBL318104,6.07
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1,CHEMBL108905,6.46
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(CCc2ccccn2)cc1,CHEMBL110408,6.835
+CCCc1c(OC(C(=O)O)c2ccccc2)ccc2c(C(F)(F)F)noc12,CHEMBL109161,5.34
+CCCc1c(OC(C(=O)O)c2ccccc2)c(Cl)cc2c(CC)noc12,CHEMBL319637,5.95
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL323773,6.23
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)O)c1ccccc1,CHEMBL110283,5.5
+CCCc1cc(C(=O)CC)c(O)c(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL110353,5.96
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(C)C)cc1,CHEMBL324856,7.24
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(Cl)cc1,CHEMBL430894,6.86
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(F)(F)F)cc1,CHEMBL110295,7.04
+CCCc1cc(C(=O)OC)cc(Cl)c1OC(C(=O)O)c1ccccc1,CHEMBL320925,5.07
+CCCc1cc(C(=O)OC)cc(C)c1OC(C(=O)O)c1ccccc1,CHEMBL430505,5.23
+CCCc1cc(C(=O)OC)cc(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL110725,5.96
+CCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL83275,5.0
+CCCc1c(OCCCOc2ccccc2CCC(=O)O)ccc2c(-c3ccccc3)noc12,CHEMBL368931,5.88
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)noc12,CHEMBL367019,7.96
+CCCc1c(OCCCCOc2cccc(OCC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL173409,7.28
+CCCc1c(OCCCOc2ccc(/C=C/C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL172959,6.82
+CCCc1c(OCCCCOc2ccccc2CC(=O)O)ccc2c(-c3ccccc3)noc12,CHEMBL176421,6.46
+CCCc1c(OCCCCOc2ccc(C(C)(C)CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173386,7.28
+CCCc1c(OCCCCOc2ccc(/C=C/C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL172492,7.89
+CCCc1c(OCCCOc2ccc(CCCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL175332,6.84
+CCCc1c(OCCOc2ccc(CCCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173236,6.21
+CCCc1c(OCCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL367311,7.52
+CCCc1c(OCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL172490,7.66
+CCCc1c(OCCCCOc2ccc(OC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL263029,8.62
+CCCc1c(OCCCCOc2cccc(C(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL369053,7.0
+CCCc1c(OCCCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL172931,8.05
+CCCc1c(OCCCCOc2cccc(C(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL435715,7.59
+CCCc1c(OCCCOc2cccc(CC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL172718,6.18
+CCCc1c(OCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL427299,6.52
+CCCc1c(OCCCCOc2ccc(CC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173159,7.7
+CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173494,7.47
+CCCc1c(OCCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL369607,7.7
+CCCc1c(OCCCCOc2cccc(CC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL435523,8.51
+CCCc1c(OCCCCOc2cccc(CCC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL177089,6.94
+CCCc1c(OCCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL435704,7.49
+CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173285,7.49
+CCCc1c(OCCCCOc2cccc(OC(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL174764,7.39
+CCCc1c(OCCCOc2ccccc2CC(=O)O)ccc2c(-c3ccccc3)noc12,CHEMBL175213,6.3
+CCCc1c(OCCCOc2cccc(CCC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL368793,6.35
+CCCc1c(OCCCCOc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL368371,7.77
+Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1,CHEMBL118972,5.66
+O=C1CSC(=O)N1Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1,CHEMBL115448,5.72
+O=C(O)Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCc3ccc(F)cc3)c2c1,CHEMBL116043,6.31
+CCCc1c(-c2ccccc2)[nH]c2ccc(C(=O)O)cc12,CHEMBL420314,5.43
+O=C(O)CCc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1,CHEMBL326947,5.14
+Cn1c(-c2ccccc2)c(CCc2ccccc2)c2cc(CC(=O)O)ccc21,CHEMBL111841,6.26
+CCCc1c(-c2ccccc2)[nH]c2ccc(CC(=O)O)cc12,CHEMBL268513,5.41
+O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1,CHEMBL331798,6.83
+Cn1c(-c2ccccc2)c(CCc2ccccc2)c2cc(OCC(=O)O)ccc21,CHEMBL275682,6.67
+O=C(O)Cc1ccc2[nH]c(-c3ccccc3)cc2c1,CHEMBL115137,5.35
+Cc1nc(-c2ccccc2)[nH]c1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL149835,8.59
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCc2scnc2-c2ccccc2)cc1)C(=O)O,CHEMBL355924,5.84
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCOCc2ccccc2)cc1)C(=O)O,CHEMBL342514,6.46
+Cc1ccccc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147323,6.89
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O,CHEMBL146341,6.79
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCc2cccc(Br)c2)cc1)C(=O)O,CHEMBL342533,6.17
+CC(C)C(COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccc1,CHEMBL149113,6.26
+COCCNc1nc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c(C)s1,CHEMBL359285,8.59
+Cc1sc(N2CCN(S(C)(=O)=O)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL146650,8.58
+CC(=O)c1ccc(OCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL148540,6.63
+Cc1oc(N2CCCCC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL149715,6.77
+Cc1cccc(CCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)n1,CHEMBL422487,5.99
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O,CHEMBL148664,7.14
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC2CCN2C(c2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL148663,5.79
+Cc1cc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)nn1-c1ccccc1,CHEMBL147935,8.9
+Cc1ccsc1-c1nc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c(C)o1,CHEMBL148459,8.72
+Cc1sc(N(C)C)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL146806,7.56
+Cc1cccc(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c1,CHEMBL147294,6.01
+CC(COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)Cc1ccccc1,CHEMBL344986,6.27
+Cc1sc(N2CCN(C)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL358325,8.66
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCCc2ccncc2)cc1)C(=O)O,CHEMBL146663,5.99
+Cc1sc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL146301,9.01
+Cc1oc(-c2ccncc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL148950,8.85
+CCc1ccc(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL146133,6.57
+Cc1cc(-c2nc(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(=O)O)cc3)c(C)s2)no1,CHEMBL343210,9.05
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCOc2ccc([N+](=O)[O-])cn2)cc1)C(=O)O,CHEMBL148341,7.04
+Cc1ccc(-c2nc(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(=O)O)cc3)c(C)o2)s1,CHEMBL147095,9.07
+CN(C)c1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL146029,6.93
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCc2cccc(F)c2)cc1)C(=O)O,CHEMBL343260,6.95
+CCc1ccccc1COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL148254,5.86
+COc1ccc(CCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL424126,6.14
+Cc1sc(-c2ccncc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147090,9.06
+Cc1sc(N2CCNCC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL146231,8.36
+Cc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL358379,8.96
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCc2cccc(I)c2)cc1)C(=O)O,CHEMBL149064,6.38
+Cn1cc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL446629,9.16
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccccn2)cc1)C(=O)O,CHEMBL147480,6.45
+COCn1c(-c2ccccc2)nc(C)c1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL149647,8.7
+Cc1ccccc1COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147648,6.43
+Cc1ccc(=O)n(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)n1,CHEMBL265551,6.88
+CSc1ccc(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL147212,5.62
+Cc1cc(-c2ccccc2)nn1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL148797,8.75
+Cc1sc(N2CCOCC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL149876,9.11
+COc1c(Br)cccc1COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL356784,6.33
+COc1ccc(-c2nc(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(=O)O)cc3)c(C)o2)cc1,CHEMBL356382,8.96
+Cc1sc(NCCCN(C)C)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL356707,7.91
+N#Cc1cccc(OCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c1,CHEMBL341899,6.43
+COc1cccc(SCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)n1,CHEMBL356773,6.8
+COC(COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccc1,CHEMBL357759,6.1
+COc1ccc(CCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1OC,CHEMBL146864,6.92
+CCN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1cccc(C)c1,CHEMBL146320,6.97
+COc1ccccc1C(=O)N1CCC[C@H]1COc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL343215,6.02
+Cc1nc(-c2ccccc2)nn1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL342292,8.32
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCC2CCc3ccccc3C2)cc1)C(=O)O,CHEMBL146369,6.84
+Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147384,8.8
+Cc1ccc(OCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)cc1,CHEMBL149782,7.03
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCOc2c(Cl)cccc2Cl)cc1)C(=O)O,CHEMBL147049,5.86
+Cc1cccc(CCCOCCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)n1,CHEMBL147819,6.12
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1,CHEMBL2112870,8.79
+CN(CCOc1ccc(CC(Nc2sccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL421781,7.63
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(CO)cc2)C(=O)O)cc1,CHEMBL145824,8.38
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2C(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146579,8.57
+Cc1ccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)cc1,CHEMBL150232,8.55
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1,CHEMBL2112020,6.72
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146637,8.58
+COc1cccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c1,CHEMBL145886,8.64
+CN(CCOc1ccc(CC(Nc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146258,8.06
+CSc1nc(NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c(C(=O)c2ccccc2)s1,CHEMBL342990,7.37
+COc1ccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)cc1,CHEMBL149381,8.25
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2112871,8.39
+Cc1cccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c1,CHEMBL150215,8.57
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)C2CCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL149714,8.19
+COc1ccccc1C(=O)c1ccccc1NC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL147021,8.76
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)C2CCCCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146821,7.4
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(CO)c2)C(=O)O)cc1,CHEMBL146530,8.47
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146217,8.29
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccnc2)C(=O)O)cc1,CHEMBL148384,9.03
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(C(=O)O)cc2)C(=O)O)cc1,CHEMBL149147,6.19
+CCCOC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL147770,8.62
+Cc1ccccc1C(=O)c1ccccc1NC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL146355,8.65
+CN(CCOc1ccc(CC(Nc2cscc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL149780,8.59
+CN(CCOc1ccc(CC(Nc2ccsc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL345541,8.01
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(CN(C)C)cc2)C(=O)O)cc1,CHEMBL359150,7.81
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(C(=O)O)c2)C(=O)O)cc1,CHEMBL145938,6.09
+CNC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL147419,7.81
+Cc1ccc(NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c(C(=O)c2ccccc2)c1,CHEMBL359333,7.87
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccncc2)C(=O)O)cc1,CHEMBL414442,8.74
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccsc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146562,8.63
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(N)c2)C(=O)O)cc1,CHEMBL347788,8.49
+CN(CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2112021,5.81
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccs2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146584,8.56
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)N(C)C)C(=O)O)cc1,CHEMBL146687,6.6
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(CN(C)C)c2)C(=O)O)cc1,CHEMBL344776,5.94
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL148596,8.83
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147282,7.18
+CN(CCOc1ccc(CC(Nc2ccncc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL149309,6.81
+CCOC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL148300,8.52
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)OC(C)C)C(=O)O)cc1,CHEMBL148668,9.01
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCC2COCCOCCOCCO2)cc1)C(=O)O,CHEMBL357102,5.93
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL423026,8.83
+CC(=O)C=C(C)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,CHEMBL145929,5.71
+O=C(c1ccccc1)c1ccc(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc1,CHEMBL147042,5.9
+CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147694,7.49
+CC(=CC(=O)c1ccccc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O,CHEMBL146201,5.88
+CN(CCOc1ccc(CC(Nc2cccc3c2C(=O)c2ccccc2-3)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL148060,7.07
+CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146614,7.55
+O=C(C1=C(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CCCC1)c1ccccc1,CHEMBL346415,6.1
+CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146123,6.91
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146822,8.48
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.51
+CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147826,8.43
+CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)nc1,CHEMBL346219,8.19
+COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=CC(=O)c1ccccc1,CHEMBL144877,6.12
+Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc1)O2,CHEMBL148301,8.28
+CN(CCOc1ccc(CC(Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL358137,8.29
+CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146322,7.48
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL59132,8.37
+CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)CCCCC1,CHEMBL357479,7.29
+O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,CHEMBL359377,6.79
+CN(CCOc1ccc(CC(Nc2ccccc2/C(=N/N)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL145829,6.79
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(OCc3ccccc3)c2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147912,7.27
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc3ccccc23)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL145958,8.49
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL347076,7.31
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL25259,6.26
+CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1,CHEMBL189547,5.92
+C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL410478,9.0
+CCCCCOc1ccccc1C(O)C/C=C\CCCC(=O)OC,CHEMBL2113104,5.42
+CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC,CHEMBL197268,6.29
+CCCCCOc1ccccc1C(O)CCCCCCC(=O)O,CHEMBL196261,5.17
+CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)OC,CHEMBL198166,6.16
+CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)O,CHEMBL198163,5.36
+CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)O,CHEMBL383607,6.02
+CCCCCOc1cc2ccccc2cc1C(O)C/C=C/CCCC(=O)OC,CHEMBL198708,6.14
+CCCCCOc1nc2ccccc2cc1C(O)C/C=C\CCCC(=O)OC,CHEMBL2113106,5.88
+CCCCCOc1cc2ccccc2cc1C(O)CCCCCCCC(=O)OC,CHEMBL198170,6.24
+CCCCCOc1cc2ccccc2cc1C(O)C/C=C\CCCC(=O)O,CHEMBL2113107,5.99
+CCCCCOc1cc2ccccc2cc1C(O)CCCCCCC(=O)O,CHEMBL199121,6.01
+CCCCCOc1nc2ccccc2cc1C(O)CCCCCC(=O)O,CHEMBL2113109,5.54
+CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC,CHEMBL194698,5.98
+COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O,CHEMBL426878,7.82
+Cc1oc(-c2ccc(C#N)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL217907,6.48
+COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1,CHEMBL426550,8.15
+COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)cc1,CHEMBL221649,7.77
+Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221525,7.82
+Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221641,7.03
+Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL425639,7.96
+Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221474,7.28
+Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1,CHEMBL374448,7.8
+Cc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)cc1,CHEMBL221184,7.64
+Cc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL376235,6.09
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)cn1,CHEMBL220533,7.09
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCOC2)cn1,CHEMBL222171,4.77
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCO2)cn1,CHEMBL221123,8.22
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL386957,7.42
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCC2)cn1,CHEMBL263466,5.46
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCC2)cn1,CHEMBL220708,6.4
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CC2)cn1,CHEMBL219005,5.1
+CCOC(CC)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL218950,4.84
+CO[C@@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL222117,6.57
+COC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL221850,6.25
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL220597,6.82
+COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL373874,7.2
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(C)C(=O)O)cn1,CHEMBL387133,5.29
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(C)(C)C)cn1,CHEMBL221923,4.92
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(CC(C)C)C(=O)O)cn1,CHEMBL222107,6.44
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(C)C)cn1,CHEMBL374323,5.06
+CCCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL374296,6.62
+CCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL376325,5.96
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)C(=O)O)cn1,CHEMBL218117,5.68
+COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL385106,6.46
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCO2)nc1,CHEMBL218487,7.37
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCO2)nc1,CHEMBL218591,4.68
+Cc1oc(-c2ccccc2)nc1CCOc1ncc(CC2(C(=O)O)CCCO2)cn1,CHEMBL385974,5.64
+Cc1oc(-c2ccccc2)nc1CCOc1cnc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221490,6.8
+Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1,CHEMBL221489,7.37
+COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1,CHEMBL221438,7.7
+Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1,CHEMBL375370,6.52
+COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)cc1,CHEMBL221388,7.03
+CCOC(Cc1ccc(OCCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL221529,5.96
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)nc1,CHEMBL435512,5.96
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1,CHEMBL220655,6.68
+COC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL222121,5.8
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL373430,7.14
+CC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1,CHEMBL230259,6.86
+CCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1,CHEMBL395527,7.06
+CCCCCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1,CHEMBL230732,7.21
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CC2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230731,7.26
+COc1ccc(C(=O)NC[C@H](Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230730,7.32
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CC(C)C(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL398185,6.04
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CCc2ccc(SC(C)(C)C(=O)O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230804,6.6
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CCC(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL266985,6.57
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C(C)CC(C)C(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230524,6.84
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccccc2C(=O)O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230523,6.94
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(CN)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230522,6.71
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)COc2cccc(N)c2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL266742,6.72
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNc2ccccn2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL266741,6.78
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2cccc(OCCN(C)C)c2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL267996,7.0
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCCNC2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL398183,7.29
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL396987,6.51
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL396481,6.76
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccc(CO)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL396480,6.8
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL231656,6.95
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL396220,7.0
+CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL253417,7.05
+CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL398677,7.32
+CCOC(=O)[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC,CHEMBL254054,5.0
+CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC,CHEMBL399629,5.0
+CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\O)c4ccccc4)ccc32)cc1)OCC,CHEMBL253851,6.21
+COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\O)c4ccccc4)ccc32)cc1)C(=O)OC,CHEMBL252996,5.0
+COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC,CHEMBL252995,5.0
+CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL479207,7.06
+CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL477119,6.01
+CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL496593,6.96
+CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL497204,7.12
+CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL497203,6.7
+CCC#CCOc1cc(COc2ccc(C(F)(F)F)cn2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501982,7.08
+COCCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL495817,5.57
+C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL524063,6.52
+COCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL495818,5.23
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#N)c1C,CHEMBL522238,5.66
+Cc1cc(COc2cc(COc3ccc(C(F)(F)F)cc3)ccc2Sc2ccc(OCC(=O)O)c(C)c2C)no1,CHEMBL526371,6.18
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2cccnc2)c1C,CHEMBL502518,5.39
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2ccncc2)c1C,CHEMBL501979,5.3
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC2CCCO2)c1C,CHEMBL501980,5.12
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCOCC2)c1C,CHEMBL525262,5.4
+C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL495990,5.92
+CC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501439,7.11
+CCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501440,7.48
+CC(C)(O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL506419,7.08
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCO)c2c1CCCC2,CHEMBL525989,6.68
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCCO)c2c1CCCC2,CHEMBL499312,7.37
+C[C@H](O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL502521,7.1
+COCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL503072,7.7
+COCCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL511100,7.36
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#Cc2cccnc2)c2c1CCCC2,CHEMBL508733,7.6
+CCC#CCOc1cc(COc2cccc(C(F)(F)F)c2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL499038,7.52
+CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL486892,6.77
+CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL482857,7.41
+CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL482659,6.82
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2Cl)c2c1CCCC2,CHEMBL496807,6.36
+CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1,CHEMBL467510,4.9
+CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL555484,7.27
+CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1,CHEMBL554562,7.48
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCC4CC4)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL537921,6.6
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCc4ccccc4)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL556643,7.74
+C=CCO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC)C(=O)O)cc1,CHEMBL562659,7.27
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL565198,7.74
+COC1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1cccc2ccccc12)OC1=CC(=O)C(=C(C)O)C(=O)[C@]13C,CHEMBL1092387,7.09
+CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1,CHEMBL1164770,4.37
+O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc(Cl)c1,CHEMBL1165451,4.36
+CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1,CHEMBL1164821,5.14
+O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl,CHEMBL1163285,5.4
+COc1cc2c(cc1CC=C(C)C)C(=O)C[C@H](c1ccc(O)cc1)O2,CHEMBL3425797,6.77
+COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O2,CHEMBL1551302,6.65
+COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2cc1CC=C(C)C,CHEMBL458053,6.76
+COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C,CHEMBL3781424,6.15
diff --git a/chembl_200/CHEMBL236.csv b/chembl_200/CHEMBL236.csv
new file mode 100644
index 0000000000000000000000000000000000000000..eb942cfbeaf962aaca644a92b73779f5f532c973
--- /dev/null
+++ b/chembl_200/CHEMBL236.csv
@@ -0,0 +1,2572 @@
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,6.132999999999999
+COc1cccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL606644,7.34
+COc1cccc2c1[C@]13CCN(CCc4ccccc4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL545208,7.31
+COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL1628270,7.095
+CN1CCC23c4c5ccc(O)c4OC2c2nc(N)ncc2CC3(O)C1C5,CHEMBL332947,7.72
+CN1CCC23c4c5ccc(O)c4OC2c2nc(-c4ccccc4)ncc2CC3(O)C1C5,CHEMBL112656,8.19
+Cc1ncc2c(n1)C1Oc3c(O)ccc4c3C13CCN(C)C(C4)C3(O)C2,CHEMBL431074,7.62
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]ncc2CC3(O)C1C5,CHEMBL112035,7.91
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]c(=O)ncc2CC3(O)C1C5,CHEMBL114803,7.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350136,7.57
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL13470,8.865
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1,CHEMBL1907787,6.8
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1,CHEMBL1907788,7.55
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)[C@H]1C5,CHEMBL399708,8.63
+O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)C4Cc5ccc(O)c6c5C2(CCN4CC2CC2)[C@H]3O6)c1,CHEMBL282518,10.57
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL282107,8.29
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL280649,8.265
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL26648,8.57
+O=C(O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3,CHEMBL132420,10.845
+N=C(N)NCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL334715,9.94
+NCCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL335936,9.32
+O=C(O)C[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL334970,9.62
+O=C1[C@@H](Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL610046,9.92
+O=C1/C(=C\c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL101519,8.585
+Oc1ccc2c3c1O[C@H]1[C@@H](Nc4ccccc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610550,8.82
+O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL252172,8.22
+Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)Oc1ccccc1O4,CHEMBL610290,7.82
+Oc1ccc2c3c1O[C@H]1[C@H](Nc4ccccc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610292,8.11
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(CCc2ccccc2)CC[C@]314,CHEMBL607339,7.66
+C=CCN(CC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL47545,7.512
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C/C=C/c2ccccc2)CC[C@]314,CHEMBL607395,6.98
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,9.078
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4C(C2)NCC[C@]314,CHEMBL344000,6.03
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)NCC[C@]314,CHEMBL285563,7.96
+Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4,CHEMBL610005,7.11
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216696,7.91
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL242756,7.54
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1,CHEMBL301701,7.03
+CN1CC[C@]23c4c5cc6sc(N)nc6c4OC2[C@@H](O)CCC3[C@H]1C5,CHEMBL294168,7.49
+C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL59092,8.96
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48241,6.59
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,8.38
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1,CHEMBL56356,6.03
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL390866,6.64
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL384227,5.23
+O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c23)C2Oc3c(O)ccc5c3[C@@]23CCN(CC2CC2)[C@H](C5)[C@]3(O)C4)cc1C=O,CHEMBL609998,8.72
+CC1CN(CCCc2ccccc2)C2CC(NC(=O)C3(c4ccccc4)CCCC3)CC1(c1cccc(O)c1)C2,CHEMBL94741,8.68
+CC1CN(CCCc2ccccc2)C2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)CC1(c1cccc(O)c1)C2,CHEMBL329470,9.02
+CC1CN(CCCc2ccccc2)C2C[C@H](NC(=O)C3(c4ccccc4)CCCC3)CC1(c1cccc(O)c1)C2,CHEMBL329754,8.03
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL317956,8.76
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,CHEMBL25230,9.49
+CO[C@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169583,7.89
+CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113671,9.8
+CCC[C@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169580,8.96
+CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113672,8.34
+CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169584,8.15
+CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169582,7.11
+CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169585,9.15
+CCO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)[C@@H]3C5,CHEMBL2113670,8.57
+Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,CHEMBL895,6.347
+Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(=O)O,CHEMBL416788,8.74
+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(=O)O,CHEMBL143939,9.52
+COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL485,4.28
+CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110816,8.51
+CCCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL326875,7.42
+CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL107655,8.59
+CCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323987,7.66
+CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL324644,8.12
+CCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108938,7.56
+CCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL106758,8.28
+CC(C)CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323726,7.7
+CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323398,8.65
+CCCCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL432403,8.13
+O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL109009,7.23
+CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL91683,7.67
+CCCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108024,7.15
+O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108083,8.45
+CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110487,8.43
+CCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110894,7.77
+COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)C3Cc5ccc(O)c6c5[C@@]2(CCN3CC2CC2)[C@H]4O6)cc1,CHEMBL431060,8.13
+O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL111530,7.95
+CCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL321408,8.61
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5,CHEMBL2113380,7.63
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)Cc2ccccc2)C1C5,CHEMBL2113379,8.18
+CCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113377,8.86
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113383,9.14
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCCc2ccccc2)C1C5,CHEMBL2113378,8.71
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)C1C5,CHEMBL2113376,8.54
+CCCCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113372,7.99
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCc2ccccc2)C1C5,CHEMBL2113382,8.96
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)CCc2ccccc2)C1C5,CHEMBL2113373,8.37
+CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113381,8.68
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL109598,5.06
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1,CHEMBL112974,5.0
+OC1(c2cccc(C(F)(F)F)c2)CCN(C2CCC3CCCCC3C2)CC1,CHEMBL111347,5.0
+CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL111192,5.25
+CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1,CHEMBL111230,5.0
+OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL322515,5.03
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144471,6.65
+CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111836,7.2
+CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CCNC(=O)c1ccsc1,CHEMBL2111838,7.56
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111837,6.35
+CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CCNC(=O)c1ccsc1,CHEMBL2448130,6.36
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL127969,6.997000000000001
+CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448128,6.26
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448129,6.12
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C\c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL108608,7.8
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2,CHEMBL109040,8.26
+CC(C)=CC[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL322875,7.29
+C/C=C1\C[C@@]23Cc4c([nH]c5ccccc45)[C@@H]1[C@@]21CCN(C)C3Cc2ccc(OC)c(O)c21,CHEMBL320306,7.08
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C(/C)c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL107420,7.63
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C(\C)c1ccccc1)C2,CHEMBL110124,8.25
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(C/C=C/c2ccccc2)C1C5,CHEMBL110461,7.9
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12CC(=C(C)C)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL107207,6.99
+CC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL108417,4.41
+CCCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL322717,5.3
+Cc1ccc(C(c2ccc(C)cc2)N2CC[C@H]2[C@H](N)c2cccc(Cl)c2)cc1,CHEMBL110138,5.3
+CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL110379,5.06
+COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1,CHEMBL448155,5.53
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL321462,5.13
+CCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL107288,5.05
+CCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL108893,5.09
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1,CHEMBL327118,5.57
+N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL108904,5.84
+CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL324895,5.03
+N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL317479,5.48
+CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL320804,4.65
+CCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL110933,5.0
+CCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106084,5.12
+CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106190,4.91
+N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL316961,5.09
+Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1,CHEMBL110126,5.73
+CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106359,4.5
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1,CHEMBL324897,5.32
+CCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL108995,5.22
+CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL108900,4.95
+CCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL106235,4.65
+Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F,CHEMBL108894,6.2
+N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL419179,5.02
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL106785,5.3
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL320582,5.3
+N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL324635,5.08
+N[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL106043,5.11
+N[C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL431445,5.53
+CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL106366,4.78
+CCCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL106155,5.41
+O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1,CHEMBL51972,5.76
+CCn1c(=O)n([C@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21,CHEMBL299660,5.74
+O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1,CHEMBL54735,5.68
+CCn1c(=O)n([C@@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21,CHEMBL52604,5.83
+CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1,CHEMBL140979,5.06
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL266609,5.28
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL356210,4.96
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+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL358403,6.65
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112473,7.08
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C,CHEMBL2112474,6.76
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccccc2CN1,CHEMBL10872,5.96
+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,CHEMBL281986,9.16
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+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL416765,8.26
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216640,8.515
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL269377,5.41
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407389,5.06
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405097,5.17
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405190,6.39
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL413729,5.1
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CC(=O)c2ccccc2)c2ccccc2)cc1,CHEMBL66387,8.2
+CC1CCCC(C)N1C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL2112214,7.96
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(OC)c2)cc1,CHEMBL307327,8.23
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL67846,10.64
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL304989,9.49
+COCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67068,7.78
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,CHEMBL65151,9.42
+C=CCN1CCC(N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL13403,7.62
+C=CCN1[C@H]2CC[C@@H]1CC(N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL67545,9.3
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCC2CCCCC2)c2ccccc2)cc1,CHEMBL67734,8.87
+CCCN(CCC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL292794,8.13
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2ccccc2)cc1,CHEMBL67192,11.0
+CCN(CCO)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67673,8.49
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL302801,9.62
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL63732,10.6
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1,CHEMBL67996,9.22
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCNCC2)cc1,CHEMBL66755,7.46
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,CHEMBL63213,8.46
+O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCCC1,CHEMBL68416,7.62
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL63477,9.44
+CC(C)N(C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)C(C)C,CHEMBL305225,7.31
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,CHEMBL65772,8.87
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(O)cc2)cc1,CHEMBL302121,8.72
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2cccs2)c2ccccc2)cc1,CHEMBL66668,7.88
+O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCOCC1,CHEMBL63948,7.45
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL68113,7.38
+CCCN1C2CCC1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL63571,9.41
+CCN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL63597,8.24
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(OC)cc2)cc1,CHEMBL67157,8.46
+CCN(CC)C(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL307775,8.35
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL304196,9.52
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,CHEMBL308928,9.24
+C=C(C)CN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL2112215,8.53
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(F)cc2)c2ccccc2)cc1,CHEMBL63400,8.58
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL63750,9.25
+Cc1c(-c2ccccc2)c2c(n1Cc1ccccc1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL348268,7.76
+Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)C4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,CHEMBL356473,7.63
+Oc1ccc2c3c1O[C@H]1c4[nH]cc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL436273,8.57
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL440179,7.67
+COc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)C(C2)N(C)CC[C@]314,CHEMBL356186,6.49
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL151476,6.94
+Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL346879,7.86
+N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112373,8.31
+CCCN/C(=N\CC1CC1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610799,7.81
+N=C(NCc1cccc(O)c1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610040,7.75
+N=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610032,7.02
+CCCC/N=C(\NCCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610034,7.82
+N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112374,7.15
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(N)cc1,CHEMBL610038,8.3
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc([N+](=O)[O-])cc1,CHEMBL610033,7.93
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N/C(=N/CC6CC6)NCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610037,7.74
+N=C(NCc1ccc(O)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610036,7.38
+N=C(NCc1ccc(N)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610044,7.62
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(Cl)cc1,CHEMBL610041,7.72
+CCCC/N=C(\NCCCC)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610039,8.17
+N=C(NCc1ccccc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610043,7.57
+CCC/N=C(\NCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610035,8.07
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccccc1,CHEMBL610042,8.14
+N=C(NCc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610045,7.07
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161417,7.07
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161413,6.91
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161415,7.34
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161429,7.59
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161412,6.64
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1,CHEMBL1161419,4.6
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161414,7.4
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161425,7.68
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1,CHEMBL1161427,7.27
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161416,7.44
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161430,7.0
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161428,6.92
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1,CHEMBL1161424,7.25
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161422,7.18
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1,CHEMBL1161423,7.77
+COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O,CHEMBL283432,6.62
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2,CHEMBL27716,6.28
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2,CHEMBL27699,6.35
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283910,6.38
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2,CHEMBL447779,6.32
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL281274,6.6
+Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL280827,6.34
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,CHEMBL283617,5.85
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2,CHEMBL26999,6.21
+CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,CHEMBL27729,6.5
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2,CHEMBL28172,6.15
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283480,6.17
+O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL285377,6.84
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+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369394,4.9
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2369393,4.82
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)O,CHEMBL269483,7.62
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369366,5.49
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369371,4.85
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369391,4.82
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2369395,4.79
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2369390,4.88
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(N)=O,CHEMBL2369389,4.87
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL265813,8.08
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O,CHEMBL2369365,5.22
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+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CHEMBL293465,8.01
+C=C1C[C@@]2(CC[C@H](N3CCCC3)[C@@H](N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O,CHEMBL70311,4.91
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+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2,CHEMBL73226,5.79
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL70586,5.03
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2,CHEMBL73131,4.76
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1,CHEMBL71294,6.0
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+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1CN1CCCC1,CHEMBL89307,6.82
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1CN1CCCC1,CHEMBL433508,6.0
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+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606872,8.96
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c(Br)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610009,9.85
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+CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)c2ccccc21,CHEMBL554885,6.0
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1CN1CCCC1,CHEMBL275025,6.95
+C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)c2ccccc21,CHEMBL101396,6.8
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2C1CN1CCCC1,CHEMBL554426,8.15
+Oc1ccc2c3c1O[C@H]1C(c4c[nH]c5ccccc45)=CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610016,9.0
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2370431,6.83
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+C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2369139,9.3
+C[C@H]1c2ccccc2CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL3350370,8.17
+C[C@@H]1c2ccccc2CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2371024,6.27
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2370013,7.13
+C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371019,8.77
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL365581,6.28
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371026,8.39
+C[C@H]1c2ccccc2CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2372509,9.28
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371016,8.54
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2364557,8.11
+C[C@@H](c1ccc(O)cc1)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371013,6.95
+C[C@H](c1ccc(O)cc1)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371014,7.55
+Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL468469,7.25
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL38576,7.62
+COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13,CHEMBL607048,5.46
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL296230,7.66
+Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346165,9.4
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3[C@H]1C5,CHEMBL611685,8.96
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611688,7.96
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610262,8.81
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL437242,7.63
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+CCC1Oc2c(O)cccc2C12CCN(C)CC2,CHEMBL431156,6.07
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5,CHEMBL607396,7.82
+C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3C23CCN(C)C(C4)C13,CHEMBL295295,7.31
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4CC4C(C2)N(C)CCC341,CHEMBL45344,6.54
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4[C@H](C)C4C(C2)N(C)CCC341,CHEMBL296922,6.48
+CN1CC[C@]23c4c5ccc(N)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL333959,5.62
+CN1CC[C@]23c4c5ccc(NCc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL332927,5.26
+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2367918,7.92
+CN(C)c1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119332,5.8
+CN1CC[C@]23c4c5ccc(Nc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL333965,5.82
+CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119692,5.24
+CN1CC[C@]23c4c5ccc(C(N)=O)c4OC2C(O)C=C[C@H]3[C@H]1C5,CHEMBL47512,5.72
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1=O)C(N)=O,CHEMBL110823,6.64
+CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL325560,7.02
+CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL106872,6.68
+CC(C)C[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL320335,7.17
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1CN(C(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1=O)C(N)=O,CHEMBL106880,6.85
+CC(C)C[C@H]1C(=O)NCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL106253,6.96
+C[C@H]1C2Cc3ccc(N(C)Cc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293951,6.24
+C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL301835,7.255
+CNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL291751,6.33
+C[C@H]1C2Cc3ccc(N4CCN(C)CC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55392,6.6
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL3085528,8.873
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CN2CC1CC1,CHEMBL2021605,5.96
+C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56165,6.8
+C[C@H]1C2Cc3ccc(N4CCCCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL543563,5.44
+C[C@H]1C2Cc3ccc(N4CCOCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55248,5.55
+C[C@H]1C2Cc3ccc(N4CCCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55948,5.74
+CCNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55851,7.72
+CC(C)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55434,6.34
+CC1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL57628,8.01
+Nc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL59314,6.06
+C[C@H]1C2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56208,5.62
+C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL58646,8.2
+C[C@H]1C2Cc3ccc(NC=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56246,7.43
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)[C@@H]2C,CHEMBL299709,7.28
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,CHEMBL60869,7.887
+C[C@H]1C2Cc3ccc(N(C)C=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293485,5.21
+CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL56357,5.77
+O=CNc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL298590,6.38
+O=C1c2ccc(O)cc2C23CCCCC2C1N(CC1CCCO1)CC3,CHEMBL1202427,9.0
+Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL2113675,9.57
+O=C1c2ccc(O)cc2C23CCCCC2C1N(CC1CC1)CC3,CHEMBL1202425,6.82
+C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168409,6.62
+C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422563,7.68
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(Nc4ccccc4)cc31)[C@@H]2C,CHEMBL352965,7.43
+COc1ccc(CNc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL168913,7.1
+C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc14,CHEMBL352365,6.77
+C[C@H]1C2Cc3ccc(N=C(c4ccccc4)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL354322,6.66
+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2368317,6.43
+C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2368318,7.46
+COc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL169536,8.08
+C[C@H]1C2Cc3ccc(Nc4ccc(C(F)(F)F)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169670,6.74
+C[C@H]1C2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL354172,7.7
+COc1cccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)c1,CHEMBL169345,7.89
+C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2368320,6.04
+C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422567,7.96
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2367604,8.6
+Cc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL355403,8.21
+C[C@H]1C2Cc3ccc(Nc4ccc(N(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL440196,7.12
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169030,7.59
+C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL353938,7.0
+C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL170384,6.6
+COc1ccccc1Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL353303,7.01
+C[C@H]1C2Cc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL352827,7.21
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168392,7.54
+C[C@H]1C2C(=O)c3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422560,7.54
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccco1,CHEMBL328236,8.07
+COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL90667,9.27
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(F)(F)F,CHEMBL314294,7.57
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CC1CCCCC1,CHEMBL329453,7.16
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccccc1,CHEMBL92349,6.89
+N#CCCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL327935,8.51
+CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL420995,8.25
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccccc1,CHEMBL430833,7.64
+CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL90463,8.25
+C=CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL328269,8.39
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccco1,CHEMBL91231,7.38
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C\I,CHEMBL2114257,7.48
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccco1,CHEMBL327490,7.54
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCCF,CHEMBL419511,9.07
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C/I,CHEMBL2115245,7.57
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1cccs1,CHEMBL90305,6.96
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCc1ccccc1,CHEMBL327576,8.51
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1cccs1,CHEMBL327885,8.0
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccccc1,CHEMBL96785,6.38
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCOc1ccccc1,CHEMBL92774,7.48
+C#CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL1790045,9.21
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CC1CCCC1,CHEMBL327309,8.16
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1cccs1,CHEMBL329020,7.29
+N#CCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL93731,8.59
+O=C1/C(=C\c2ccc(-c3ccccc3)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162048,7.33
+O=C1/C(=C\c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162267,9.15
+O=C1/C(=C\c2c3ccccc3cc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL350601,8.62
+O=C1/C(=C/c2c3ccccc3cc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL349940,7.77
+O=C1/C(=C/c2ccc3ccccc3c2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL164577,7.41
+CC(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccc4ccccc4c2)C[C@@]3(O)[C@H]1C5,CHEMBL165410,7.8
+O=C1/C(=C/c2ccc(-c3ccccc3)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL355188,7.12
+O=C1/C(=C/c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL434867,8.34
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473362,8.51
+COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473136,7.59
+Cc1ccc(/C=C/C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL297756,8.02
+O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL417535,8.29
+O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL296693,8.3
+Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL100940,10.89
+CCCCC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,CHEMBL72786,8.26
+NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL19982,8.43
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)C(=O)OC,CHEMBL3144356,8.24
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5)C(=O)O,CHEMBL1202433,8.51
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC,CHEMBL1791447,7.3
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3C)[C@H]1O5)C(=O)O,CHEMBL1202430,8.19
+CN1CCC23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)C1C5,CHEMBL1202432,7.16
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)OC,CHEMBL3144355,7.62
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL308813,9.05
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(N)c1,CHEMBL542149,8.11
+CC(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL558596,7.86
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(N)c1,CHEMBL558597,5.73
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL307919,8.74
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL310636,7.07
+CC(=O)Nc1cccc([C@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL542403,5.51
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350133,6.96
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350128,7.59
+O=C(CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350138,8.11
+O=C(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350137,8.19
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350135,7.07
+O=C(CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350129,7.92
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350134,6.7
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350127,7.0
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL3350139,6.15
+O=C(CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350130,8.31
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL610018,7.42
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+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2371057,8.19
+C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2371056,8.28
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2371080,8.11
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2371079,8.13
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1,CHEMBL2371082,6.96
+C[C@@H](c1ccccc1)[C@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1,CHEMBL2371081,7.96
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(=O)O)c1,CHEMBL344885,6.24
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(=O)O)c1,CHEMBL138547,5.97
+CN1CC[C@]2(c3cccc(O)c3)Cc3ccccc3C[C@]2(C)C1,CHEMBL324681,6.65
+C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CCN(CCc1ccccc1)C2,CHEMBL107398,6.74
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL37158,8.78
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL290005,8.96
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL36845,7.59
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL157313,6.24
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293103,5.765
+CNC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL157301,7.2
+COC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL160924,7.23
+C[C@H]1C2Cc3ccc(C#N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL154255,5.57
+C[C@H]1C2Cc3ccc(C(=O)O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL160677,6.49
+C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2368218,8.59
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL173874,9.11
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368421,9.4
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL174263,7.56
+CCCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL172493,9.36
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCF)C(C2)N(CC2CC2)CCC314,CHEMBL353930,8.0
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL368600,8.62
+CCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL367497,9.59
+CCCSCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL172529,8.75
+O=CN[C@@]12Cc3c(n(CCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367962,9.26
+O=CN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL176537,9.05
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCCF)C[C@@]3(O)C1C5,CHEMBL173749,8.58
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367290,7.72
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368522,9.62
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCCF)C(C2)N(CC2CC2)CCC314,CHEMBL173319,7.89
+O=CN[C@@]12Cc3c(n(CCCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL170399,9.09
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(N)C(C2)N(CC2CC2)CCC314,CHEMBL177194,6.42
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCF)C[C@@]3(O)C1C5,CHEMBL435898,8.19
+CN1CC[C@]23c4cccc(O)c4O[C@H]2C(=O)CC[C@H]3C1,CHEMBL324418,7.08
+O=C1CC[C@@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106910,6.87
+COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL321289,5.75
+Oc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL319236,7.82
+O=C1CC[C@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106027,8.67
+COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL106085,6.82
+Oc1cccc2c1O[C@H]1[C@H](O)CC[C@@H]3CN(CC4CC4)CC[C@@]231,CHEMBL323281,8.02
+CCO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1ccc(O)c(OC)c13,CHEMBL317269,7.67
+C=CCN1CCC23CC(=O)CC[C@@]2(OC)C1Cc1ccc(O)c(OC)c13,CHEMBL317030,7.59
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL105665,7.86
+CCCCOc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL322195,7.38
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(O)CCC(=O)C3,CHEMBL104310,6.48
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2C,CHEMBL133815,6.12
+O=C1c2ccc(O)c3c2C24CCN(CC5CC5)C1[C@]2(O)CCC(=O)[C@@H]4O3,CHEMBL366520,6.55
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113654,9.0
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4C13CCN(CC1CC1)[C@@H]2C5,CHEMBL610798,9.02
+CCO[C@@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113646,9.06
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL285410,7.82
+NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL286585,6.86
+N=C(N)NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3C1(CCN2CC1CC1)[C@H]4O5,CHEMBL287750,7.43
+O=C(NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)C1=C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5)OCc1ccccc1,CHEMBL284522,6.93
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CCc2ccccc2)CC[C@]314,CHEMBL607393,7.96
+NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN,CHEMBL98014,4.64
+NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL412591,5.0
+NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN,CHEMBL94792,5.07
+CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL292521,4.51
+CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL58362,8.52
+CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL61630,6.81
+CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL60533,5.54
+CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL299031,7.22
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL200199,8.59
+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C,CHEMBL331883,6.99
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C,CHEMBL121403,6.7
+CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1,CHEMBL290429,8.48
+CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C,CHEMBL12391,7.11
+CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1,CHEMBL609147,7.64
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL95847,5.62
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,8.09
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)C1C5,CHEMBL319589,5.47
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5,CHEMBL441270,6.3
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL318957,6.59
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL95408,7.36
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)C1C5,CHEMBL98324,7.39
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL317536,7.8
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,7.4
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5,CHEMBL95319,8.33
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)C1C5,CHEMBL319592,6.68
+CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL104169,6.46
+C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)C2N,CHEMBL108068,6.38
+CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL421038,5.35
+CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL106432,5.28
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL430298,9.3
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL411201,8.17
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,CHEMBL265595,6.6
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL132314,8.8
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL206974,8.77
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1,CHEMBL40859,6.26
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1,CHEMBL41245,6.8
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(O)cc1)Nc1ccccc1,CHEMBL40548,6.95
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C,CHEMBL38511,6.48
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O,CHEMBL41946,6.58
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC,CHEMBL288468,6.95
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1,CHEMBL40825,6.29
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1,CHEMBL41883,7.28
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1,CHEMBL39968,6.26
+CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C,CHEMBL441427,6.35
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1,CHEMBL289137,6.51
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1,CHEMBL289494,6.19
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1,CHEMBL288205,6.69
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(O)c1)Nc1ccccc1,CHEMBL41736,6.85
+COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL40993,6.29
+COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL39272,6.9
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3c2cccn2C)c2ccccc2)cc1,CHEMBL63563,7.68
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL63651,7.33
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(O)c2)cc1,CHEMBL65259,8.69
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(OC)cc2)cc1,CHEMBL67326,8.88
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(OC)c2)cc1,CHEMBL304214,8.18
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccccc1)c1ccc(C(=O)NCC)cc1)C2,CHEMBL68342,8.65
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(OC)cc2)cc1,CHEMBL279638,8.25
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2[nH]cnc2C)c2ccccc2)cc1,CHEMBL306463,7.8
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCO)c2ccccc2)cc1,CHEMBL292332,7.58
+O=C(NC1CC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL307973,7.7
+O=C(NC1CCCCC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL303148,6.03
+C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(OC)c1)C2,CHEMBL303875,8.84
+O=C(Nc1ccccc1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL304466,5.82
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cnc[nH]2)c2ccccc2)cc1,CHEMBL416680,8.41
+C=CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)NCC)cc1)C2,CHEMBL302142,8.11
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,CHEMBL67289,7.7
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,CHEMBL66800,7.63
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,CHEMBL63912,8.35
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(O)c2)cc1,CHEMBL433500,8.68
+COCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67144,6.99
+CNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL63309,7.89
+O=C(Nc1nccs1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67428,7.31
+O=C(NCCF)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67735,7.49
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL67894,7.91
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,CHEMBL67088,7.2
+NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL66955,7.44
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(O)c2)cc1,CHEMBL68412,9.82
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL67893,8.19
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL66954,8.33
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccn2)c2ccccc2)cc1,CHEMBL291357,9.07
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2cccc(OC)c2)cc1,CHEMBL64933,7.88
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(O)c2)cc1,CHEMBL419621,8.38
+CCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67615,7.66
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1,CHEMBL63232,9.03
+CC(C)(C)NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL67781,6.45
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(OC)c2)cc1,CHEMBL67240,9.14
+C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(O)c1)C2,CHEMBL434018,9.42
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(O)cc2)cc1,CHEMBL67790,9.6
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(O)cc2)cc1,CHEMBL303381,8.11
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(OC)cc2)cc1,CHEMBL67123,7.95
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL68341,6.53
+CCCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL68358,7.31
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,CHEMBL307525,8.26
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(OC)c2)cc1,CHEMBL66741,9.29
+O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1C=O,CHEMBL610541,8.59
+COc1ccc2c3c1OC1C4NC(C(=O)OCC(C)C)=C(C)C4CC4C(C2)N(C)CCC341,CHEMBL34663,8.32
+Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL109659,7.93
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL326235,9.49
+O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)CC12Cc1ccccc1C2,CHEMBL610293,9.6
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL102690,5.46
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407084,7.91
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL412248,5.27
+C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL166853,9.15
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@H]2C(C)(C)C(C)(C)O4)C1C5,CHEMBL2110315,8.21
+CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)C3O5,CHEMBL353876,9.1
+CC1C2CC34CCC2(OC1(C)C)C1Oc2c(O)ccc5c2C13CCN(C)C4C5,CHEMBL169367,8.36
+CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL349841,9.22
+C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL349636,8.92
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@@H]2C(C)(C)C(C)(C)O4)C1C5,CHEMBL2110199,8.36
+COc1ccc2c3c1O[C@@H]1C34CCN(C)[C@H](C2)C42CC[C@]1(OC)[C@@H]([C@](C)(O)C(C)C)C2,CHEMBL355296,8.89
+COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5,CHEMBL353979,9.52
+CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL169552,8.96
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CC[C@@H]1N1CCCC1,CHEMBL538806,5.0
+COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL350943,5.68
+O=C1C(c2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL184811,6.43
+O=C1C(c2ccc(C(F)(F)F)cc2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL362757,6.0
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1,CHEMBL320882,7.62
+CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL370272,5.17
+C=C(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL370912,5.08
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL363324,5.93
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL191014,5.32
+COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190902,5.19
+COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190785,6.64
+C=CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL191180,5.19
+CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1,CHEMBL192520,5.89
+CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL190766,6.29
+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189643,6.76
+CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL447185,6.33
+CN(C(=O)Cc1ccccc1CNS(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,CHEMBL364907,6.05
+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL370538,7.26
+CN(C(=O)Cc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL190030,5.82
+CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL363822,6.91
+CN(C(=O)Cc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL191987,6.75
+CN(C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189430,6.97
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL189683,5.95
+CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL362741,6.78
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190600,7.08
+CN(C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL192718,6.62
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190353,7.2
+CN(C(=O)Cc1ccc2c(c1)CN(S(C)(=O)=O)C2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL363718,5.83
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL425897,6.78
+CC(=O)NCc1ccccc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1,CHEMBL539685,6.05
+Cc1ccc(S(=O)(=O)NCc2ccc(CC(=O)N(C)[C@H](CN3CC[C@H](O)C3)c3ccccc3)cc2)cc1,CHEMBL192998,7.57
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL426084,8.59
+COc1c(C(N)=O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL195285,6.32
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]2(CCN3CC2CC2)C1,CHEMBL195787,6.89
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL370029,8.38
+CN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL188841,5.4
+CCCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL186154,5.68
+CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365410,5.57
+CC1(C)c2cc(O)ccc2CCC1NCC1CC1,CHEMBL188920,5.42
+CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365228,6.22
+CC1(C)c2cc(O)ccc2CCC1N(CC1CC1)CC1CC1,CHEMBL188411,5.24
+C=CCNC1CCc2ccc(O)cc2C1(C)C,CHEMBL188805,5.23
+C=CCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL442413,5.65
+C=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL364133,6.17
+CC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1,CHEMBL189243,6.33
+CN(C/C=C/c1ccccc1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365483,6.23
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL187635,5.61
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1,CHEMBL189571,7.65
+Cn1c(N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)nc2ccccc21,CHEMBL199434,6.86
+c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nc4ccccc4s3)CC2)cc1,CHEMBL200940,7.14
+c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nccs3)CC2)cc1,CHEMBL436323,7.1
+c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1,CHEMBL202238,7.74
+O=S(=O)(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199518,8.49
+NS(=O)(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL373057,6.97
+CS(=O)(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL200700,7.34
+COc1ccc(NC(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)cc1,CHEMBL434174,7.36
+COc1cccc(NC(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,CHEMBL200098,7.34
+COc1ccccc1NC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199378,7.51
+O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL201453,7.01
+O=C(Nc1cccc(F)c1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199647,7.54
+O=C(Nc1ccccc1F)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL371266,7.54
+CN1CCN(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)CC1,CHEMBL426470,6.79
+CCNC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL198238,7.41
+NC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199294,7.0
+CN(C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1)c1ccccc1,CHEMBL199433,8.05
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2C(=O)c2ccccc2)CC1,CHEMBL199545,5.43
+CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1,CHEMBL200067,7.37
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccn2)CC1,CHEMBL197917,5.51
+COc1cccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)c1,CHEMBL199289,6.66
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(F)cc2)CC1,CHEMBL199684,6.69
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(F)c2)CC1,CHEMBL381674,6.89
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2F)CC1,CHEMBL199871,7.14
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL382326,7.09
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL203251,8.03
+O=C(/C=C/C(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201219,6.8
+O=C(CCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201220,7.42
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL200881,7.92
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1,CHEMBL199827,7.96
+CN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL199931,8.41
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201271,8.36
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3,CHEMBL193039,7.64
+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL383320,7.74
+O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL381750,7.55
+C#CCN1CC[C@]23CCCCC2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCCC2[C@@H](C4)N(CC#C)CC5)cc13,CHEMBL372823,6.72
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL369919,8.08
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3,CHEMBL200295,6.15
+CCCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL383094,7.1
+CCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202327,6.47
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCCc1ccccc1,CHEMBL201661,6.74
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1,CHEMBL201296,6.06
+C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL383044,6.49
+C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201434,6.21
+C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL203150,6.1
+C[C@H]1CN(CCc2ccccc2)[C@H](c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201480,6.59
+C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201845,6.15
+CCCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL202352,6.24
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL382919,6.92
+CC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL371970,6.17
+C[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL203307,7.19
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O,CHEMBL413644,7.35
+CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL412331,9.32
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CHEMBL408889,8.28
+CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL374325,9.09
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CHEMBL442483,7.64
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O,CHEMBL405192,7.23
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL375412,8.85
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O,CHEMBL438739,8.47
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O,CHEMBL408832,9.64
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL205306,7.7
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL383458,6.07
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL379405,6.77
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408083,6.51
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218327,9.38
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL208479,8.59
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL262172,9.66
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL382051,9.7
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL382409,5.82
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL205965,7.07
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408330,8.7
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL382349,8.66
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218763,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O,CHEMBL211543,6.37
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O,CHEMBL377392,7.57
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O,CHEMBL208683,7.96
+Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1,CHEMBL2375157,10.46
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1,CHEMBL501451,10.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1,CHEMBL458631,10.51
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1,CHEMBL212575,5.56
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1,CHEMBL212574,5.38
+CN(C)CCc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1,CHEMBL377786,6.05
+CN(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1,CHEMBL212375,6.34
+CN(C)Cc1nnc(-c2cccc(C(C)(C)C)c2)n1-c1cccc(O)c1,CHEMBL211226,5.59
+CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1,CHEMBL377643,6.32
+CN(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1,CHEMBL212368,6.89
+CN(C)c1nnc(-c2cccc(-c3ccccc3)c2)n1-c1cccc(O)c1,CHEMBL209152,6.82
+CN(C)c1nnc(-c2cccc(C(C)(C)C)c2)n1-c1cccc(O)c1,CHEMBL377357,5.98
+CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1,CHEMBL377904,7.3
+Oc1cccc(-n2cnnc2-c2ccc3ccccc3c2)c1,CHEMBL379717,5.68
+Oc1cccc(-n2cnnc2-c2ccc(-c3ccccc3)cc2)c1,CHEMBL208801,5.82
+Oc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1,CHEMBL212743,6.85
+CC(C)(C)c1ccc(-c2nncn2-c2cccc(O)c2)cc1,CHEMBL211284,5.0
+CC(C)(C)c1cccc(-c2nncn2-c2cccc(O)c2)c1,CHEMBL377340,6.64
+C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CCC3(O)C1C5,CHEMBL378753,8.85
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,8.83
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL1418,7.74
+CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL214040,6.81
+CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL385048,7.4
+CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL211576,6.23
+CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL213228,7.82
+CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL209751,6.22
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5,CHEMBL385448,7.73
+CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL437682,6.49
+CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5,CHEMBL213737,5.8
+CC(=O)Oc1ccc2c3c1OC1C(OS(=O)(=O)O)C=CC4C(C2)[N+](C)(C)CCC341,CHEMBL379928,6.07
+COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1417,6.38
+COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1416,5.94
+O=C(/C=C/c1ccccc1Cl)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL611402,8.89
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610883,8.9
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(C)CC[C@]314,CHEMBL607069,9.0
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+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(C)CC[C@]314,CHEMBL607016,9.24
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(C)CC[C@]314,CHEMBL607017,9.38
+Cc1ccc(/C=C/C(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607018,8.4
+CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5,CHEMBL2113666,10.1
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL607125,9.96
+Cc1ccc(CCC(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607126,8.9
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611400,8.64
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611139,8.14
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C,CHEMBL214104,8.41
+C[C@H]1C2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215594,7.92
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL212434,7.14
+C[C@@H]1[C@@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL378355,8.0
+C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL210005,9.62
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL377789,9.13
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL1162933,6.77
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215760,6.96
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213291,7.33
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL209550,7.23
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213880,6.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL373984,8.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O,CHEMBL384915,8.38
+O=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL216239,5.03
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL214022,8.98
+CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL216492,5.12
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387016,6.57
+O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217658,8.72
+O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL448428,8.82
+O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217102,8.66
+O=C1CC[C@@]2(NCC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL383896,8.68
+O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL216558,8.18
+O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217479,8.41
+O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217710,8.49
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387101,7.47
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL277530,7.28
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL215926,7.25
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL411089,7.61
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL384118,7.02
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL263482,7.05
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216365,6.98
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL217790,6.62
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL217395,8.29
+O=C1CC[C@@]2(NCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL443311,8.96
+O=C(CCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL267027,9.22
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL384497,7.5
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216251,7.35
+O=C1CC[C@@]2(NC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL385482,9.2
+C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376413,7.19
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373707,7.22
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373925,5.96
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(=O)O)c1,CHEMBL218521,5.6
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL412996,6.47
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219319,7.055
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL426523,7.513
+C[C@H]1CN2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375119,7.17
+C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218980,6.39
+C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL435746,7.44
+C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218506,6.18
+C[C@H]1CN2CCN(C(=O)Nc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219317,6.27
+C[C@H]1CN2CCN(S(=O)(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374324,5.77
+C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374678,5.54
+C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375165,6.02
+C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219495,6.62
+C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376690,6.855
+C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL220248,6.02
+C[C@H]1CN2CCN(C(=O)CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL384336,6.85
+C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218135,7.15
+C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218404,7.6
+C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375803,6.66
+C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218909,6.51
+C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218242,6.52
+C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218705,6.38
+C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373641,6.44
+C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219318,7.24
+Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1,CHEMBL217999,6.46
+Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,CHEMBL217998,6.29
+Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,CHEMBL219599,7.05
+C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219554,6.47
+C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373446,6.59
+C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL217950,6.13
+C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374455,5.82
+C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219152,5.89
+C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219099,6.08
+C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219466,5.96
+C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL219012,6.66
+C[C@H]1[C@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL262420,6.55
+C[C@H]1[C@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385280,7.6
+C[C@H]1[C@@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL438821,8.68
+C[C@H]1[C@@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385392,6.72
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL387248,6.05
+CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL414087,7.35
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL375359,9.1
+CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL386186,8.16
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL386212,8.96
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL217957,9.2
+CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218651,8.66
+CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218600,8.41
+CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL407198,8.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CCc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222814,8.3
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CC2CCCCC2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222579,8.38
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL221421,7.74
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(C)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222704,8.57
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)C1C5,CHEMBL374228,8.79
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222762,8.74
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL385316,8.51
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222647,8.53
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222597,8.74
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222486,8.78
+Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)CCCC2,CHEMBL610534,8.7
+CCn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL373910,8.53
+Cn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL221419,8.47
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL2113275,7.41
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224014,7.82
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224671,7.55
+Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@H]12,CHEMBL608815,4.85
+COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL389072,7.46
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CCC1)C2,CHEMBL376355,8.96
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL226217,9.64
+CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226167,8.38
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375504,9.77
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226166,9.72
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226114,9.46
+COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375503,8.06
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226113,8.82
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2371977,7.82
+CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL387670,7.11
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL439019,8.74
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL229280,8.32
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL389652,8.55
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL389651,8.3
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL426363,7.44
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2371978,7.03
+CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL340032,8.89
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL394624,7.82
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242048,8.41
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242047,7.57
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242046,7.52
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL263096,8.57
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL397035,8.8
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL427862,8.55
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL241824,7.38
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL241823,7.11
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL245049,7.28
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)[C@@H](C)c2c(C)cc(O)cc2C)CC1,CHEMBL388899,5.77
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCc2ccc(OC)c(Cl)c2)CC1,CHEMBL230311,5.2
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCc2cccc(Br)c2)CC1,CHEMBL389109,4.92
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CC(N)c2ccc(OC)cc2)CC1,CHEMBL230310,5.05
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CC(N)c2ccc(C)cc2)CC1,CHEMBL231049,5.54
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CC(N)c2ccc(Cl)cc2)CC1,CHEMBL395545,5.62
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)CC1,CHEMBL231048,5.19
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccc3ccccc3c2)CC1,CHEMBL230943,5.48
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2csc3ccccc23)CC1,CHEMBL230942,4.82
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2cscn2)CC1,CHEMBL390667,4.12
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1,CHEMBL231352,5.16
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1,CHEMBL230303,4.8
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL231253,7.3
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)[C@H](C)c2c(C)cc(O)cc2C)CC1,CHEMBL390480,6.59
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)C2Cc3ccccc3C2)CC1,CHEMBL230415,4.82
+CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230249,4.48
+c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL229018,5.43
+CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229017,5.56
+CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229016,6.05
+COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228965,5.58
+COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL388122,4.86
+COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,CHEMBL228964,4.74
+OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL228913,6.23
+OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL228912,5.75
+OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL228911,5.78
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,CHEMBL389665,5.24
+OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228858,5.7
+COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228857,6.01
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,CHEMBL228856,5.35
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL388314,5.68
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,CHEMBL228802,5.53
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL228850,5.84
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,CHEMBL390498,5.52
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL228849,5.78
+CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228848,6.63
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL228795,4.99
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,CHEMBL390280,5.13
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,CHEMBL228794,5.9
+Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL228793,5.03
+Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,CHEMBL390279,5.61
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1,CHEMBL228740,5.11
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1,CHEMBL374603,4.96
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1,CHEMBL374602,4.66
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228690,5.78
+O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228738,4.65
+CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228687,4.82
+COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228686,4.48
+OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1,CHEMBL397945,6.73
+OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1,CHEMBL231608,5.27
+CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL231607,6.26
+CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL413791,6.46
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230253,6.74
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL390882,6.36
+CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230145,5.38
+CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL433814,4.68
+O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c34)[C@@H]3Oc4c(O)ccc6c4[C@@]34CCN(CC3CC3)[C@H](C6)[C@]4(O)C5)cc2cc1C=O,CHEMBL2113281,8.65
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@]21C,CHEMBL390935,5.12
+CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232286,5.5
+CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232285,5.8
+CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232076,5.77
+OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232075,5.93
+OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL394222,5.54
+CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232074,5.61
+CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL231866,5.7
+CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL437177,6.29
+CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232478,6.11
+CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232477,5.42
+CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21,CHEMBL233957,4.63
+NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,CHEMBL233535,4.0
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,CHEMBL233956,5.49
+NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,CHEMBL400036,5.03
+NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL233955,5.43
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL233750,5.52
+NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,CHEMBL233749,5.4
+Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,CHEMBL233748,5.05
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL400035,5.07
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL233536,5.48
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL398794,5.43
+Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233327,5.54
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233503,4.86
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL441914,6.22
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233326,5.92
+OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393971,4.34
+Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393356,5.05
+OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233323,5.07
+OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231874,4.84
+OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231664,4.86
+OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231661,4.82
+OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL394695,5.09
+CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234773,4.75
+CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234771,4.25
+CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL397761,4.73
+CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233721,4.28
+OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233502,5.36
+N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL233501,4.55
+COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL401234,4.72
+COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL233494,5.02
+COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233493,5.36
+CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393675,4.48
+CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL234543,4.6
+Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393985,4.92
+Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL437380,5.11
+Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232273,5.78
+OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232067,4.82
+OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL392753,5.2
+OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232066,5.48
+OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL395838,5.25
+OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232476,5.25
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL243195,6.57
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL428038,7.3
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL394573,6.8
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL242968,7.64
+O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,CHEMBL390912,6.44
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL2372052,5.69
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL409969,6.37
+O=C1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL2113282,5.34
+C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL397276,7.05
+C[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL414889,6.52
+C=C1[C@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL242226,7.82
+C=C1[C@@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL437949,6.63
+Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243301,5.56
+Oc1cccc([C@]23CCC[C@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL388873,7.89
+Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243300,5.8
+Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243092,6.14
+O=C1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL243091,6.11
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113294,7.06
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccc(C)cc5)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113314,8.32
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccccc5C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113313,8.63
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113312,7.22
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113311,7.41
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113310,6.13
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113309,6.4
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113308,8.27
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113307,8.1
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113306,8.19
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113305,8.12
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113304,8.47
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113303,7.95
+COc1ccc(/C=C/C(=O)NC[C@H]2C[C@@]34CC[C@@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)cc1,CHEMBL2113302,6.49
+COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5,CHEMBL2113301,7.06
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315,CHEMBL2113300,6.95
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113299,6.88
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113298,6.54
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(C)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113297,6.61
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4Cl)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113296,7.03
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4C)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113295,7.18
+CC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232383,7.43
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2C/C=C/c2ccccc2)CC1,CHEMBL392997,6.55
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2CC2CCCCC2)CC1,CHEMBL234807,6.83
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccn2)CC1,CHEMBL236506,6.76
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2-c2ccc3ccccc3c2C)CC1,CHEMBL234389,6.19
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1,CHEMBL393965,9.13
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1,CHEMBL391623,8.34
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(F)cc2)CC1,CHEMBL233427,7.29
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(F)c2)CC1,CHEMBL231783,8.23
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(OC)cc2)CC1,CHEMBL231781,7.92
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(OC)c2)CC1,CHEMBL233570,7.54
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1,CHEMBL391852,8.92
+O=C(OCc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL233368,7.92
+CC(C)(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392266,8.03
+O=C(OC1CCCCC1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL233143,8.13
+CC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL400436,8.74
+CCCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232937,8.03
+CCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL399205,8.54
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232740,8.43
+COC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232738,7.72
+CCN(CC)C(=O)c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL232549,6.8
+COC(=O)c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL232548,9.03
+COC(=O)c1cccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)c1,CHEMBL232345,7.07
+CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1,CHEMBL437397,8.64
+COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1,CHEMBL232137,8.23
+COCC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1,CHEMBL428544,8.43
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232771,7.54
+Cc1cc(C)c(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c(C)c1,CHEMBL232770,6.9
+Cc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,CHEMBL392478,7.43
+O=C(c1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232583,8.64
+O=C(Cc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232582,7.64
+COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392477,8.13
+CC(C)(C)C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232581,7.43
+O=C(C1CC1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232385,7.64
+CC(C)C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392476,7.32
+CCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232384,7.54
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL401245,7.6
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL235239,6.92
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL392269,6.96
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL238017,7.55
+NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1,CHEMBL237066,7.313
+NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1,CHEMBL236376,8.305
+NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1,CHEMBL238317,8.885
+NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1,CHEMBL238316,7.415
+NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1,CHEMBL236170,6.3
+NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1,CHEMBL236169,6.67
+NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1,CHEMBL236168,6.89
+NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238361,8.963
+CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238305,5.62
+CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238283,6.17
+CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL396392,6.14
+CNC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238282,5.46
+N=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238280,6.67
+Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1,CHEMBL392828,7.13
+Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL236663,8.28
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,CHEMBL236662,7.25
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,CHEMBL236462,7.42
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,CHEMBL392057,8.07
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,CHEMBL236461,7.22
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O,CHEMBL236460,6.16
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O,CHEMBL236253,7.03
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O,CHEMBL437372,6.57
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C,CHEMBL237074,6.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O,CHEMBL413703,7.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C,CHEMBL236868,6.46
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL235743,6.52
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1,CHEMBL439026,8.49
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL235109,9.44
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1,CHEMBL392207,9.16
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1,CHEMBL235108,5.15
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL392206,8.21
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1,CHEMBL235107,8.43
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1,CHEMBL235106,7.85
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCN2CCOCC2)C3)nc1,CHEMBL238364,5.59
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1,CHEMBL238363,5.72
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1,CHEMBL238157,6.33
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC(F)(F)F)C3)nc1,CHEMBL439038,6.41
+CCC(CC)CN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL238156,5.41
+CC(C)(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396637,6.39
+CC(C)CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237934,6.62
+CC(C)CCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396636,6.97
+CC(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237718,6.63
+CCCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237716,6.79
+CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237506,6.73
+CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237505,6.3
+NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1,CHEMBL237295,6.84
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)CC3)nc1,CHEMBL237294,5.86
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)CC3)nc1,CHEMBL237293,5.57
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCc2ccccc2)C3)nc1,CHEMBL237073,6.77
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1,CHEMBL398089,5.61
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCCc2ccccc2)C3)nc1,CHEMBL237071,5.67
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)nc1,CHEMBL397148,6.75
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1,CHEMBL235155,5.63
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)C3)nc1,CHEMBL235154,5.64
+CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O,CHEMBL391631,6.49
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL241357,5.93
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391422,5.83
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL393960,5.79
+COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL391234,5.51
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL240074,6.22
+COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238637,5.51
+CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL391487,5.417000000000001
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391486,5.69
+COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL239043,5.67
+COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238833,5.8
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CHEMBL203356,5.53
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21,CHEMBL393980,4.93
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21,CHEMBL241087,5.61
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21,CHEMBL393807,5.89
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2,CHEMBL241086,5.64
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2,CHEMBL241085,5.6
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2,CHEMBL393781,5.86
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2,CHEMBL240005,5.62
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2,CHEMBL239824,5.58
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2,CHEMBL392798,5.91
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21,CHEMBL239822,5.75
+O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2,CHEMBL442090,5.72
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL391703,5.25
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2,CHEMBL239821,4.98
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2,CHEMBL239820,4.79
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2,CHEMBL239819,4.58
+Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL439212,5.07
+Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241079,5.22
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2,CHEMBL428563,4.83
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2,CHEMBL392969,4.8
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2,CHEMBL241067,4.94
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2,CHEMBL240870,5.01
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL240657,4.42
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2,CHEMBL391083,5.33
+CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL428033,6.13
+CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL391082,5.85
+CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241112,5.47
+CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL240216,5.16
+CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL392893,5.99
+O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL240215,5.79
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2,CHEMBL401451,6.14
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2,CHEMBL240033,5.05
+O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2,CHEMBL240896,5.42
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2,CHEMBL240895,4.5
+O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2,CHEMBL240001,4.13
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2,CHEMBL241080,4.61
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL246572,9.0
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL246479,8.42
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL247760,8.92
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL393867,7.38
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL246740,6.44
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL247759,7.72
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL246739,9.0
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)O,CHEMBL392275,6.32
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,CHEMBL247064,8.0
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL247758,9.11
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)O,CHEMBL246682,6.77
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(C(=O)O)cc1)C(=O)O,CHEMBL247163,5.96
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(=O)O,CHEMBL247363,7.72
+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,CHEMBL2372104,7.72
+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,CHEMBL31421,8.49
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(N)=O,CHEMBL246956,8.89
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL247368,8.0
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)O,CHEMBL391580,8.74
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(I)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL427706,8.42
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Br)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401094,8.07
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Cl)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248840,8.29
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(F)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248839,8.64
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL428055,7.74
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251161,7.62
+C[C@H]1C2Cc3ccc(C(=O)NCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251160,7.28
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL430397,7.74
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399344,9.05
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250388,7.51
+Cc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL250387,9.14
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)c(Cl)c5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250186,8.6
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)cc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL438871,9.15
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL249985,9.74
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4Br)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL398294,6.82
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(Br)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250993,8.46
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(Br)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL249567,8.6
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4-c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399465,7.68
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(-c5ccccc5)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL401278,8.23
+O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,CHEMBL63354,7.44
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2,CHEMBL412098,5.86
+O=C(Cc1cccs1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL429588,8.68
+O=C(Cc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL443326,7.49
+COc1ccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL270918,7.7
+O=C(Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL411927,7.55
+COc1cccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL273105,7.8
+O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL412050,7.91
+O=C(/C=C/Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL438413,8.09
+O=C(O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272021,7.1
+CN(C)c1cccc(C(=O)NC2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL411916,8.07
+CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL271755,7.6
+COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL410526,8.42
+Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272051,7.44
+COc1cc(OC)cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL271811,7.75
+COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL410884,7.57
+COc1cc(OC)cc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL411738,8.17
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc([N+](=O)[O-])c1,CHEMBL407466,8.37
+COc1cccc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL429929,8.24
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(O)c1,CHEMBL410122,8.56
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1,CHEMBL272215,9.05
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1,CHEMBL409458,8.72
+O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL409036,7.0
+O=C(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL272181,7.43
+O=C(C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL406116,7.61
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL982,7.93
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL438389,7.14
+C=CCN1C[C@H]2C(c3ccccc3)=CC[C@@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL260519,6.13
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnc[nH]4)c4ccccc43)CC2)C(C)C)c1,CHEMBL260556,5.89
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401615,5.82
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL437983,6.29
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL257895,6.44
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401789,6.3
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL256010,8.0
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270401,7.82
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270187,8.49
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL404303,7.51
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL402964,8.08
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403190,7.82
+C[C@@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL255354,7.13
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL403633,7.66
+C[C@H]1CN(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL271662,7.62
+C[C@H]1CN(CCC(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270833,7.28
+C[C@H]1CN(CCC(=O)N(CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403191,7.2
+C[C@H]1CN(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL255555,7.41
+C[C@H]1CN(CCC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL404583,7.17
+C[C@H]1CN(CCC(=O)N(CC2CC2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL258294,7.0
+CC(C)CN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,CHEMBL258115,7.54
+CCN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,CHEMBL403324,6.29
+C[C@H]1CN(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL256834,6.21
+C[C@H]1CN(CCC(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403325,6.44
+C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL441899,6.8
+C[C@H]1CN(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401508,6.77
+C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401716,6.0
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270190,7.92
+COC(=O)[C@@H]1C[C@H](SC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL262346,5.71
+COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL259658,6.09
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL264967,5.86
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260121,6.24
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260286,5.73
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260485,5.94
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL259299,5.85
+CN1CC[C@]23c4c5cccc4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5,CHEMBL258669,5.28
+CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL261048,6.62
+COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL408422,5.34
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=C[C@H]3[C@H]1C5,CHEMBL410907,7.93
+CO[C@H]1CC[C@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL409743,5.05
+COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL412301,5.36
+CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL358043,7.18
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL257140,8.47
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL257139,8.21
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL402135,6.96
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL403273,6.24
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL429677,8.74
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL402189,8.03
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL254754,8.36
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL437784,7.64
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL257355,9.07
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL402820,8.27
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC,CHEMBL401594,8.82
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254960,8.03
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254959,7.25
+COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC,CHEMBL258172,6.3
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL493846,7.53
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL495058,6.29
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1,CHEMBL495057,7.94
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1,CHEMBL523382,7.49
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494854,8.41
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494853,6.83
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL521854,7.81
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL522201,6.88
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL522143,6.56
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL515864,6.73
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1,CHEMBL472937,6.72
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1,CHEMBL514769,7.39
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccccn1,CHEMBL514781,7.19
+C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)CSSC1(C)C)C(N)=O,CHEMBL525046,5.84
+C=C(C)CN1CCC(C#N)(c2ccccc2)CC1,CHEMBL495548,5.3
+NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084529,5.48
+NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466921,5.98
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466847,5.5
+Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2,CHEMBL513136,5.54
+NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512414,5.63
+Nc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL499868,6.03
+O=[N+]([O-])c1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL526362,5.82
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCCc2ccccc2)cc13,CHEMBL501447,6.3
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCc2ccccc2)cc13,CHEMBL524505,6.17
+OCCCOc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500123,6.31
+NC(=O)COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL497108,6.12
+COc1ccc(CC(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL521543,7.64
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3)c1ccc(-c2ccccc2)cc1,CHEMBL451320,6.16
+O=C(COc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500419,7.66
+Cc1ccc(C(C)C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL500154,7.02
+O=C(Cc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL501739,7.2
+O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL503457,6.72
+Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL33986,7.92
+C[C@H]1[C@H]2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL499884,7.92
+CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481366,6.77
+CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL501331,6.96
+CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL519100,7.24
+CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480425,8.02
+CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480426,6.85
+O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,CHEMBL506616,5.7
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL510506,6.17
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1cccc(O)c1,CHEMBL509201,5.47
+COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL500122,5.43
+COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL526686,5.03
+CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498116,5.37
+CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498442,5.4
+CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL379138,5.39
+C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL493621,7.13
+C[C@H]1C2Cc3cc(N)c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495462,5.7
+C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1,CHEMBL522375,7.46
+C[C@H]1C2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495461,6.14
+C[C@H]1C2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL494614,6.66
+C[C@H]1C2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL509054,5.72
+C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL468182,6.0
+C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(-c6ccccc6)cc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL463518,6.39
+C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL511243,5.82
+C[C@H]1C2Cc3ccc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL468857,7.28
+C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL469189,6.92
+C[C@H]1C2Cc3ccc4c(=O)nc[nH]c4c3[C@@]1(C)CCN2CC1CC1,CHEMBL512474,5.7
+C[C@H]1C2Cc3cc4[nH]cnc(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL469188,6.11
+C1=C(c2ccccc2)c2ccccc2OC12CCNCC2,CHEMBL492447,7.15
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,CHEMBL494480,9.08
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(O)cc32)cc1,CHEMBL494479,9.37
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cc(O)ccc32)cc1,CHEMBL495094,8.82
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3c(O)cccc32)cc1,CHEMBL523507,6.44
+CCN1CCC2(C=C(c3ccc(C(=O)N(CC)CC)cc3)c3ccccc3O2)CC1,CHEMBL494472,7.17
+CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)cc1,CHEMBL494275,8.46
+CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(C)=O)CC3)Oc3ccccc32)cc1,CHEMBL494274,5.89
+CCN(CC)C(=O)c1ccccc1C1=CC2(CCNCC2)Oc2ccccc21,CHEMBL493454,6.32
+CCN(CC)C(=O)c1cccc(C2=CC3(CCNCC3)Oc3ccccc32)c1,CHEMBL523204,6.48
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL494462,8.74
+O=C(O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL494266,7.96
+COC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL494265,8.03
+N#Cc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL495278,7.74
+Oc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL495074,7.23
+COc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL495073,7.24
+FC(F)(F)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL492449,6.82
+Cc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL492448,7.14
+c1ccc(C2CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL493687,6.8
+O=S(=O)(Cc1ccc(Cl)cc1)N1CCC2(CC1)CC(c1ccccc1)c1ccccc1O2,CHEMBL522004,6.3
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+C[C@H]1C2Cc3cc4n[nH]nc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL515593,7.29
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+Cc1nc2cc3c(cc2[nH]1)CC1[C@H](C)[C@]3(C)CCN1CC1CC1,CHEMBL473699,7.74
+C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL518712,8.29
+CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL510201,4.48
+CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474091,4.63
+CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL475308,4.81
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514606,4.23
+CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL472676,5.04
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+C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474708,4.36
+C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514965,4.34
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+COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516024,4.54
+NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL472867,7.49
+CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL473068,6.24
+CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475096,6.06
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL518325,6.02
+O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL456225,5.82
+O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL510745,6.12
+CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL460636,6.03
+O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL517265,5.94
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C,CHEMBL499169,5.32
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL515829,5.99
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL457244,6.06
+O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL501088,5.81
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL457451,6.04
+O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464191,5.62
+O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464192,5.5
+CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL517167,5.64
+CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL515142,5.78
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475707,5.97
+O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL472669,6.35
+O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL516389,6.43
+CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL514662,6.29
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475310,6.42
+CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473700,6.06
+CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473701,6.42
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL473904,6.27
+CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL471262,5.51
+CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL511649,6.1
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21,CHEMBL474283,5.58
+CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474485,5.89
+CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474687,5.69
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL514489,5.3
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL515091,5.79
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL514463,5.71
+CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473272,5.63
+C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL475094,5.6
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21,CHEMBL474092,5.68
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21,CHEMBL473278,5.54
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473279,5.74
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C,CHEMBL473280,5.53
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL473898,5.91
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474096,5.4
+CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL515575,5.59
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL471882,5.77
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21,CHEMBL511162,5.89
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O,CHEMBL516187,5.97
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O,CHEMBL511161,5.88
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O,CHEMBL471880,6.05
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O,CHEMBL472086,5.3
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL474755,6.74
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL514774,9.32
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL471543,6.57
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL512526,6.96
+COc1cccc(C2(O)CCCCC2CN(C)C)c1,CHEMBL1237044,8.03
+CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1,CHEMBL443601,5.62
+NC(=O)c1ccc2c3c1O[C@H]1C4NC5C(C[C@@]6(O)[C@H]7Cc8ccc(C(N)=O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)C4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL506457,6.0
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL517567,7.27
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL415284,6.92
+CC(C)=CCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C,CHEMBL461227,6.66
+C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL257661,6.85
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2C,CHEMBL511884,6.49
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,CHEMBL3275494,8.3
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CCc1ccccc1,CHEMBL464230,8.92
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL517779,7.85
+C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL464250,6.0
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL518083,7.17
+Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL455905,5.55
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@@H]3O2,CHEMBL455906,5.6
+CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c(O)cccc13,CHEMBL450850,5.0
+CN1C[C@@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3,CHEMBL509260,5.56
+CN1C[C@@H]2Oc3c(O)cccc3[C@@]23CCC[C@@H]1C3,CHEMBL457389,5.46
+C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)O,CHEMBL500766,5.84
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL476600,6.93
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL476603,6.77
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL515621,6.39
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL472843,7.64
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL473253,6.09
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL513990,6.04
+NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511795,9.52
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL469815,10.6
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL398707,7.42
+CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL471049,6.59
+CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL471048,8.08
+Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511816,7.1
+NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511621,6.2
+NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3,CHEMBL470005,8.38
+C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL470617,6.05
+C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL511302,6.55
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3,CHEMBL511645,8.41
+NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,CHEMBL513762,6.82
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@H](O)C3,CHEMBL512150,7.11
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL557188,9.0
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL539193,8.43
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL556537,9.11
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL555504,7.23
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL538131,7.44
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2,CHEMBL3084634,4.94
+COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL416647,7.66
+COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL246003,8.35
+COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL551072,6.12
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL554292,5.18
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL562139,5.95
+CN1CC[C@]23Cc4c(c5ccccc5n4C)C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL557937,6.57
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL562340,5.59
+Cn1c2c(c3ccccc31)C[C@@]13Cc4ccc(O)cc4[C@@]1(CCN(CC1CC1)C3)C2,CHEMBL558135,5.75
+CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551412,8.25
+NC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL550063,7.77
+CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551413,7.74
+CC(C)CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL563137,7.89
+CC(C)N(C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)C(C)C,CHEMBL561882,8.92
+CN(C)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL561805,8.0
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCCC1,CHEMBL564922,7.57
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCCCC1,CHEMBL550261,7.82
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCOCC1,CHEMBL551414,7.3
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1,CHEMBL551613,9.28
+CN(Cc1ccccc1)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551536,7.74
+CCN1CCc2cc(C3=CC4(CCNCC4)Oc4ccccc43)ccc2C1=O,CHEMBL551615,8.09
+CCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccccc32)cc1,CHEMBL563893,8.74
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNC3)Oc3ccccc32)cc1,CHEMBL556439,7.74
+CCN(CC)C(=O)c1ccc(C2=CC3(CCCNC3)Oc3ccccc32)cc1,CHEMBL563700,7.25
+CCN(CC)C(=O)c1ccc(C2=CC3(CCOCC3)Oc3ccccc32)cc1,CHEMBL556923,5.85
+CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL557121,8.8
+CCN(CC)C(=O)c1ccc([C@H]2CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL556648,9.03
+CCN(CC)C(=O)c1ccc([C@@H]2CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL550471,7.54
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)s1,CHEMBL550472,8.82
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)o1,CHEMBL550669,7.7
+CCN(CC)C(=O)c1cc(C2=CC3(CCNCC3)Oc3ccccc32)cs1,CHEMBL562898,8.16
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cn1,CHEMBL557054,8.6
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)nc1,CHEMBL561138,7.96
+CCN(CC)C(=O)c1ncc(C2=CC3(CCNCC3)Oc3ccccc32)cn1,CHEMBL562280,8.34
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1C,CHEMBL557257,8.48
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1F,CHEMBL562873,8.92
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1O,CHEMBL557458,9.16
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(C)c1,CHEMBL562478,8.62
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(F)c1,CHEMBL559414,7.89
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(O)c1,CHEMBL561339,8.57
+O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1,CHEMBL554617,7.13
+CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL560200,6.48
+Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL563988,8.29
+CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL551074,7.03
+O=C(C#Cc1ccccc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL575682,8.8
+O=C1CC[C@@]2(NCC#Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL574175,8.49
+O=C(C#Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL574397,8.27
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL575451,7.55
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL578422,7.19
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL577168,6.87
+FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL575994,6.595
+CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577786,7.49
+CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573517,7.42
+CCN(CC)C(=O)c1ccc(N(c2cccc(NC(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573775,8.75
+CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL583331,8.86
+CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL574640,9.39
+CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573757,8.7
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)N(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL575498,6.96
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)NC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573739,7.71
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577615,9.54
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL575926,7.22
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577407,5.86
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577359,7.46
+CCN(CC)C(=O)c1ccc(N(c2cccc(CNC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL574451,6.36
+CCN(CC)C(=O)c1ccc(N(c2cccc(CO)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577394,7.93
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577356,6.35
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL576740,8.77
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL572669,7.09
+CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567818,8.47
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567604,9.38
+CC[C@]12CCN(C[C@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL566557,5.51
+CC[C@]12CCN(C[C@@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL567213,5.6
+CC[C@]12CCN(CCc3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL568076,5.57
+CC[C@]12CCN(C)C[C@H]1Oc1ccc(O)cc12,CHEMBL582929,5.37
+CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL566527,6.09
+CC[C@@]12CCN(C[C@@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL568309,6.35
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL72180,7.12
+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566346,7.74
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL565679,7.7
+COC(=O)C(C)CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566762,7.38
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL573918,6.41
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)OCc1ccccc1,CHEMBL575647,6.68
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL582930,7.43
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL584790,7.82
+CC(CCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL575031,7.3
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL584791,7.41
+C=CCN1CC[C@]23c4c5ccc(OC(=O)C(C)CCCCCCC(C)C(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3C1C5,CHEMBL584792,6.89
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL578629,8.29
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1,CHEMBL569316,9.62
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,CHEMBL569956,9.52
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL568803,9.19
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570000,9.38
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL584941,9.57
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL568818,9.66
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1,CHEMBL569006,9.15
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1,CHEMBL576267,9.12
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccc(C)cc3)CC2)cc1,CHEMBL569728,9.19
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1,CHEMBL568865,8.85
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569755,9.38
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1,CHEMBL585900,9.01
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CCCCC3)CC2)cc1,CHEMBL570233,8.64
+C=CCCN1CCC(N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1,CHEMBL570232,8.99
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1,CHEMBL571324,9.0
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,CHEMBL570181,7.64
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL569704,7.85
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570446,7.3
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL570645,7.95
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL569945,7.74
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569084,7.3
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cnc[nH]3)CC2)cc1,CHEMBL584727,8.79
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1,CHEMBL569529,8.99
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3nccn3C)CC2)cc1,CHEMBL570448,8.77
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568876,7.47
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL576273,6.72
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568877,7.7
+COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568988,6.92
+Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL568813,6.02
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571998,7.54
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571767,8.77
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568757,8.27
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571560,6.89
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571990,7.72
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL570225,7.41
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13,CHEMBL568989,6.8
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL570429,7.84
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570654,7.17
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13,CHEMBL568829,6.49
+O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL571561,7.8
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13,CHEMBL569724,6.52
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL569725,7.03
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572216,6.6
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc13,CHEMBL570449,5.85
+O/N=C\c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL585901,6.74
+Oc1cc2c(cc1CNCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569215,6.72
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+Oc1cc2c(cc1CNCCCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569448,6.0
+CCN(CCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568071,5.96
+CCN(CCCCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566128,6.15
+Oc1cc2c(cc1C(O)CCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL567170,5.8
+Oc1cc2c(cc1C(O)CCCCCCCCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL568758,6.14
+CCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL571322,7.14
+CCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570428,6.21
+OCCCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572217,6.21
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL595972,9.18
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL592969,7.27
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL611926,8.89
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL611925,8.11
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL611924,8.3
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1,CHEMBL595245,8.05
+C=CCN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1,CHEMBL605931,8.72
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1,CHEMBL595472,9.05
+CCCC(C)CN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1,CHEMBL595473,8.74
+CCCC(C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1,CHEMBL603428,7.96
+CCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1,CHEMBL593583,8.64
+CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1,CHEMBL593824,8.7
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL605293,9.1
+CCCCN1CCCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)C1,CHEMBL592907,8.21
+CCN(C)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL592908,8.66
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC(F)(F)F)C2)cc1,CHEMBL595714,8.54
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(Cc3nccs3)C2)cc1,CHEMBL605735,8.46
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(Cc3ncc[nH]3)C2)cc1,CHEMBL605930,8.92
+CC(C)(O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL595233,7.41
+CCN(CC)C(=O)c1ccc(C2(c3cccc(C(N)=O)c3)CCCN(Cc3nccs3)C2)cc1,CHEMBL594301,8.15
+CC[C@@]12CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592300,5.65
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c(O)cccc12,CHEMBL589260,5.21
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL599175,5.14
+CC[C@@]12CCN(C)C[C@@H]1Oc1c(O)cccc12,CHEMBL599174,5.13
+Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12,CHEMBL1076554,4.03
+c1cc2c(cc1OCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1075629,6.74
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076572,7.43
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)CC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076573,7.48
+OC(CCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076574,6.38
+OC(CCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076575,6.8
+OC(CCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076576,7.13
+OC(CCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076577,7.0
+OC(CCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076578,7.57
+OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4c(c3)[C@@]35CCCC[C@H]3[C@@H](C4)N(CC3CCC3)CC5)cc2)cc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076579,7.54
+c1cc2c(cc1OCC1CO1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081084,6.7
+CCCCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081250,7.28
+CCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1080925,7.7
+CCCCCCCCCCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081093,6.04
+OC(COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081608,7.07
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080485,5.15
+NC(=O)/C(=C/c1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1084187,5.14
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2372623,9.04
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172249,8.21
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O,CHEMBL1172248,8.25
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O,CHEMBL1172247,8.04
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O,CHEMBL1172246,5.89
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172245,8.46
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172244,5.64
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172428,8.43
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172253,9.68
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172252,8.54
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172251,8.21
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172429,7.38
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214027,6.14
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214026,6.82
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1214025,7.42
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1214024,8.77
+CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,CHEMBL1214076,7.8
+CC(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642737,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCC2CCCCC2)cc1,CHEMBL1642739,6.4
+CCCCCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642740,6.6
+CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642741,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2=CCCCC2)cc1,CHEMBL1642742,6.8
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccs2)cc1,CHEMBL1642743,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCc2cccc(F)c2)cc1,CHEMBL1642744,6.4
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccc(F)c2)cc1,CHEMBL1642745,6.6
+CC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1,CHEMBL1642746,7.3
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)cc1,CHEMBL1642747,7.4
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccc(F)cc3C2)cc1,CHEMBL1642748,7.1
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2CCOCC2)cc1,CHEMBL1642749,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1cccc(CNCCC2=CCCCC2)c1,CHEMBL1642751,6.7
+NC(=O)c1ccc2c(c1)CCCN2c1cccc(C(=O)NCCC2=CCCCC2)c1,CHEMBL1642752,5.8
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNC1Cc2ccccc2C1,CHEMBL1642753,6.8
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642754,7.0
+NC(=O)c1ccc2c(c1)CCCN2c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642755,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(C(F)(F)F)c1,CHEMBL1642756,7.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1,CHEMBL1642757,7.0
+Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642758,7.9
+Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642759,7.0
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNCCC1=CCCCC1,CHEMBL1642760,6.3
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649938,9.74
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649939,8.96
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649940,8.77
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649941,10.1
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649942,9.4
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649943,9.85
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649944,7.72
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649945,8.8
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649946,10.52
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649947,9.32
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649948,9.96
+OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650845,6.59
+COC(=O)C1(N2CCC(n3c(N4CCN(C)CC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650846,6.51
+CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1,CHEMBL1650847,6.17
+OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650843,6.69
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O)N(C)C,CHEMBL1743603,8.24
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C,CHEMBL1214049,8.57
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743605,8.85
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743604,8.8
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672177,6.86
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672178,6.82
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672179,6.34
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672180,6.44
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672181,6.1
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672182,6.78
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672183,6.74
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672184,6.7
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672185,6.21
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672186,5.7
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672187,6.26
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672188,6.71
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766022,7.27
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1,CHEMBL1766023,7.25
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766024,7.6
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766025,7.37
+FC(F)(F)CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766026,6.74
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766027,7.1
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766028,6.12
+c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766029,6.85
+c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766030,7.39
+COc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766031,7.47
+Oc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766032,7.54
+CCNC(=S)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766033,6.82
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766036,7.19
+CC(=O)N(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766037,5.96
+CCN(C(C)=O)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766038,6.13
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766039,7.33
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766040,7.04
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766041,7.3
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766042,6.66
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766043,7.12
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766044,6.92
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766045,6.38
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766204,7.96
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766205,9.34
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1,CHEMBL1766206,8.39
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1,CHEMBL1766207,9.82
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766208,9.74
+CCOC(=O)C1=C(C(=O)OCC)C2OC1C=C2[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL1773747,5.65
+c1c2c(cc3sc(NCCCCCCCCCCNc4nc5cc6c(cc5s4)C[C@@H]4[C@@H]5CCCC[C@]65CCN4CC4CC4)nc13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,CHEMBL1774952,7.41
+O=C(CCCCCCCCC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1774951,6.77
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(O)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774950,7.46
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1774949,8.1
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(OC)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774948,7.41
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13,CHEMBL1773091,7.85
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13,CHEMBL1774947,7.89
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13,CHEMBL1774946,8.09
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,CHEMBL1795711,9.24
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795712,8.59
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795713,7.15
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@H]3O2,CHEMBL1814704,5.9
+Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL1814705,5.91
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1,CHEMBL1824509,6.22
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Br)c1,CHEMBL1824510,6.76
+Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL1824512,7.05
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Cl,CHEMBL1824514,6.3
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Br,CHEMBL1824513,6.89
+Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824515,6.56
+O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824516,6.06
+O=C(CCc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824511,6.53
+O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824517,6.28
+CN1CCC(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)CC1,CHEMBL1824518,5.59
+CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1834409,8.8
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834410,8.9
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834411,8.44
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834412,8.52
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834413,8.15
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834414,8.17
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834415,7.76
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834416,8.06
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.34
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.55
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.29
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,5.95
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.07
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.02
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.76
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,6.02
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.13
+CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,CHEMBL428647,5.83
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.73
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,4.63
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/N=C2\CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL1618305,7.32
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.92
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.77
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,5.35
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,6.5
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.33
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.0
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.63
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,CHEMBL277863,6.37
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921841,6.6
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921842,6.82
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921844,6.73
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921845,6.68
+Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921847,6.845
+Cc1cc(C)cc([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921848,6.78
+FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939698,6.82
+CN1C[C@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951699,5.14
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@@H]3O)c1,CHEMBL1951701,5.24
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@H]3O)c1,CHEMBL1951702,6.0
+CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048780,6.28
+CN(Cc1cccc(O)c1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048779,6.77
+CN(Cc1ccc(Cl)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048778,6.14
+COc1ccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048777,6.54
+COc1cccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048776,6.46
+COc1ccccc1CN(C)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048775,6.72
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13,CHEMBL2048774,6.14
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL2048773,7.89
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048772,7.39
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL2048771,7.52
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048770,6.92
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048769,6.64
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048768,6.96
+O=[N+]([O-])c1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048767,6.82
+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC4)OCO2,CHEMBL2048766,7.7
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048765,6.96
+COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL2046467,6.8
+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)OCO2,CHEMBL2048764,7.28
+Clc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048763,7.0
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048762,6.59
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048761,6.82
+COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048760,7.21
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL2151735,8.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL1834247,7.74
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O,CHEMBL2151734,6.89
+C[C@H](C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O)N1Cc2cc(O)ccc2C[C@H](N)C1=O,CHEMBL409225,6.8
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL316446,5.37
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL2158990,5.32
+CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,CHEMBL2158958,5.91
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2158957,5.81
+CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,CHEMBL2158956,5.65
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2158955,5.7
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc2ccccc2c1,CHEMBL2163919,4.07
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc2ccccc12,CHEMBL2163918,4.07
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccoc1,CHEMBL2163917,4.29
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1,CHEMBL2163916,4.3
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc2c(c1)OCO2,CHEMBL2163915,4.73
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(OC)cc1,CHEMBL2163914,4.99
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1Cl,CHEMBL2163913,4.83
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc(Cl)c1,CHEMBL2163912,5.24
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)cc1,CHEMBL2163911,4.97
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(F)cc1,CHEMBL2163910,4.77
+C=C(C(N)=O)[C@@H](NC(=O)C(=C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)c1ccccc1,CHEMBL2163922,4.96
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL2163921,4.25
+C=C(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL2163920,4.23
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL333357,5.292999999999999
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL148291,8.91
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2,CHEMBL2171847,6.07
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2,CHEMBL2171846,6.0
+CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2178724,7.92
+CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2178732,7.62
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,8.41
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C=C4[C@@H](C2)N(CC2CC2)CC[C@]431,CHEMBL2179663,8.57
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)CCc2ccccc2)[C@H]1C5,CHEMBL2179662,9.02
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)Cc2ccccc2)[C@H]1C5,CHEMBL2179661,9.01
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)c2ccccc2)[C@H]1C5,CHEMBL2179660,7.77
+O=C(CCc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179659,8.38
+O=C(Cc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179658,8.88
+O=C(O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2179657,7.06
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL2179656,8.98
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC/C=C/c2ccccc2)[C@H]1C5,CHEMBL2179655,8.94
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL2179654,8.75
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL2179653,8.79
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179652,8.92
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179651,8.43
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179650,8.72
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179649,8.71
+CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180641,5.45
+CCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180640,5.61
+CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180637,5.88
+CCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL1188090,5.43
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncn1,CHEMBL2178341,6.47
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnnc1,CHEMBL2178340,6.38
+COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2178339,6.98
+COc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2178338,6.79
+N#Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2177697,7.12
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.29
+CC1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3C1(C)CCN2CC1CC1,CHEMBL2208355,9.05
+COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1,CHEMBL2208354,8.66
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1,CHEMBL2208353,8.96
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1C,CHEMBL2208352,8.82
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc6c(c5)OCO6)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208351,9.0
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1OC,CHEMBL2208350,8.82
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5O)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208349,9.62
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccc(O)c5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208348,8.92
+C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2208347,9.11
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2203338,9.09
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208346,9.1
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208345,8.18
+CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208363,9.26
+CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208362,8.41
+CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208361,8.72
+CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208360,8.47
+COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208359,9.08
+COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208358,8.89
+CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1,CHEMBL289683,8.7
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208356,9.74
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1,CHEMBL2334769,5.16
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1,CHEMBL2334768,5.25
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1,CHEMBL2334770,5.55
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1,CHEMBL2334771,5.56
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,CHEMBL2334775,7.52
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,CHEMBL2334776,7.56
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1,CHEMBL2334772,7.59
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1,CHEMBL2334773,7.65
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,CHEMBL2335120,7.7
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,CHEMBL2334774,7.72
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338745,9.38
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338744,9.47
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347239,8.19
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)nc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347238,7.85
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccn5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347237,8.04
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccnc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347236,8.09
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347235,8.17
+COc1cc(O)c2c(c1)CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O,CHEMBL2375656,5.14
+COC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381584,5.36
+CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL20226,8.89
+CC(C)[C@H](NC(=O)[C@H](CCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL2387212,7.62
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(N)=O,CHEMBL2387211,9.55
+NC(=O)[C@H](CCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2387331,6.23
+NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)NCCCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2387330,7.08
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O,CHEMBL2387329,9.2
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O,CHEMBL2387328,9.29
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL2387327,9.46
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL2387216,8.34
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)O,CHEMBL2387215,8.74
+CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)O,CHEMBL2387214,9.59
+CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)O,CHEMBL2387213,7.96
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387341,7.57
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387340,6.2
+CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387339,8.55
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387338,7.92
+O=C(NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)c1ccccc1,CHEMBL2387336,5.34
+O=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387335,4.665
+O=C(NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21,CHEMBL2387332,6.0
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL2387210,8.4
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL1196093,7.28
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,CHEMBL2386904,7.2
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,CHEMBL2386903,6.87
+C=CCN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386902,7.26
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,CHEMBL2386901,7.62
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,CHEMBL2386900,7.59
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,CHEMBL2386899,7.59
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,CHEMBL2386898,7.47
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,CHEMBL2386897,6.95
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,CHEMBL2386896,7.41
+CN1CC[C@@]2(CCc3ccccc3F)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386895,7.28
+CN1CC[C@@]2(CCc3ccc(F)cc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386894,6.89
+CCCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386893,7.48
+CCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386892,6.68
+CCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386891,6.32
+CN1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386823,7.12
+CN1CC[C@@]2(CCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386822,7.54
+CN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386821,7.44
+CN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386820,6.26
+CN1CC[C@@]2(Cc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386819,7.19
+CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL289476,8.77
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL2397019,7.98
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL2397018,8.83
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL2397017,7.82
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,CHEMBL2397016,7.6
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2397015,7.24
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL2397022,7.96
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL2397021,7.4
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL2397020,7.02
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL538700,9.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1,CHEMBL2408018,6.6
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408017,6.89
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408016,8.03
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408015,8.26
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408014,9.12
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408012,9.37
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408011,9.7
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O,CHEMBL2408010,7.24
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O,CHEMBL2408019,8.92
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL2408013,9.42
+NC(=O)[C@H](CNC(=O)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1,CHEMBL2409172,6.04
+NC(=O)C[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2409171,5.55
+NC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2409170,5.78
+NC(=O)[C@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1,CHEMBL2409169,6.33
+NC(=O)[C@@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1,CHEMBL2409168,5.87
+NC(=O)[C@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2409034,6.73
+NC(=O)[C@@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2409033,6.16
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409225,8.68
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409224,9.02
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409223,8.52
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409222,8.77
+CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413879,5.21
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419544,8.33
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419543,8.24
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419542,9.22
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419541,8.54
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419540,7.89
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419539,8.51
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1,CHEMBL2419538,8.3
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2419537,7.6
+O=C1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418735,5.45
+CN1CC[C@]2(c3cccc(O)c3)C[C@H](O)C[C@@H]1C2,CHEMBL2418736,5.71
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1,CHEMBL2418737,6.06
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2C)C1,CHEMBL2418729,6.14
+CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1C[C@H](c1ccccc1)C2,CHEMBL2418731,6.23
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@@H](C[C@H](c4ccccc4)C2)C3)c1,CHEMBL2418732,6.5
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418730,6.59
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2,CHEMBL2418571,6.86
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(CCc3ccccc3)[C@@H]1C2,CHEMBL2418572,6.9
+CN1CC[C@]2(c3cccc(O)c3)C[C@H]3CCCC[C@@H]3[C@H]1C2,CHEMBL2418733,6.94
+Oc1cccc([C@]23CCN(CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1,CHEMBL2418734,6.99
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,5.55
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086308,9.37
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086307,8.8
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3,CHEMBL3086306,8.34
+CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086305,9.19
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3,CHEMBL3086303,7.89
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)CC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217271,8.04
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)C)C[C@]1(c1cccc(O)c1)C2,CHEMBL3216613,7.74
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217273,7.36
+CCCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3215960,7.13
+CCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217051,6.58
+CN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217272,7.44
+C[C@@H]1CN(CCCc2ccccc2)[C@@H]2CCC[C@]1(c1cccc(O)c1)C2,CHEMBL3086466,6.79
+O=C(CNC(=O)c1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086756,9.43
+O=C(CCc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086755,8.04
+O=C(Cc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086754,8.41
+COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,CHEMBL508044,5.28
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc21,CHEMBL3104104,7.48
+CCCC(C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220705,8.22
+CCC[C@@H](C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220706,8.7
+CCCC(C)CN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220707,8.7
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21,CHEMBL3219614,6.78
+CC[C@@]1(c2cccc(C(N)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,CHEMBL3219615,6.97
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,CHEMBL3219616,6.77
+COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL258098,5.55
+CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL272939,5.99
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL120758,7.27
+CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262088,9.07
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262091,9.1
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262361,8.92
+CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262362,8.92
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262090,8.59
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262089,8.72
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262092,8.89
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262093,8.49
+C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264439,6.32
+C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264440,6.66
+CCOC(=O)C(CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3264441,5.97
+Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1,CHEMBL1455766,5.96
+CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291215,8.68
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5,CHEMBL3291216,9.31
+CC(C)(O)[C@H]1C[C@@]23CC[C@@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291214,8.1
+O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1,CHEMBL3287466,6.35
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287467,9.03
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287468,8.96
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287469,7.5
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL3287470,8.73
+COC(=O)[C@@H]1C[C@H](OC(=O)C=C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330664,5.58
+C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330667,5.49
+C=CC(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330669,5.52
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330670,6.15
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2cc(C(F)(F)F)ccc2C(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330681,5.23
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330682,5.31
+COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330683,6.64
+N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL3360832,7.43
+N=C(N)NCCNC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL3361425,5.6
+N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1,CHEMBL3361433,5.58
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)C2CCCC(N3CCCC3)C21,CHEMBL3323515,5.37
+CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12,CHEMBL3326224,8.31
+CN1C(=O)CCC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309506,8.03
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(CCC(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309507,9.04
+CN1C(=O)[C@H](CCO)CC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309508,8.44
+CN1C(=O)[C@@H](CCO)CC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,CHEMBL3309509,8.03
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309264,8.99
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,CHEMBL3309510,8.55
+C[C@@H]1CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N(Cc2ccccc2)C1=O,CHEMBL3309511,9.07
+C[C@H]1CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N(Cc2ccccc2)C1=O,CHEMBL3309512,8.8
+O=C1[C@H](CCO)CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309513,9.15
+O=C1[C@@H](CCO)CC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309514,8.62
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,CHEMBL3309515,9.44
+O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1,CHEMBL3309518,9.55
+CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL3357966,7.09
+CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL3357967,8.0
+O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N1,CHEMBL3319079,7.62
+C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1,CHEMBL3326796,6.77
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF,CHEMBL3397593,7.14
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF,CHEMBL3397594,6.59
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+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC2CCCCC21,CHEMBL3616879,5.16
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+N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL3665433,4.18
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+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(OC)cc41)[C@@H]3C2,CHEMBL3654389,7.72
+NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654391,7.58
+O=C(O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654394,7.73
+O=C1NC(=O)[C@@]2(CC[C@@]3(O)C4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1,CHEMBL3672561,6.75
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+O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704594,4.92
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+CCOC(=N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704607,5.79
+NC(=O)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704608,4.99
+CON=C(N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704609,5.25
+O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1,CHEMBL3704612,4.87
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+c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704645,5.21
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3C1C5,CHEMBL409938,7.96
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13,CHEMBL3667193,7.77
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3CCc2ccccc2)C1,CHEMBL3667192,7.62
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667191,6.31
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13,CHEMBL3667199,8.0
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13,CHEMBL3667197,8.68
+CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667198,6.55
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13,CHEMBL3667190,8.27
+CO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13,CHEMBL3667196,7.38
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+Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL3695676,6.76
+O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695671,7.09
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1,CHEMBL3695668,7.64
+NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695667,7.31
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1,CHEMBL3695670,7.82
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(I)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3734889,7.89
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+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736287,8.3
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+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C/C1=C\c1ccccc1,CHEMBL3786970,8.56
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+CN(C)C[C@H]1CCc2cc(-c3ccccc3C(F)(F)F)ccc2[C@]1(O)c1cccc(O)c1,CHEMBL3808773,7.19
+CN(C)C[C@H]1CCc2cc(-c3ccccc3Cl)ccc2[C@]1(O)c1cccc(O)c1,CHEMBL3809017,6.8
+CN(C)C[C@H]1CCc2cc(-c3ccccc3F)ccc2[C@]1(O)c1cccc(O)c1,CHEMBL3809684,6.14
+Cc1ccccc1-c1ccc2c(c1)CC[C@H](CN(C)C)[C@@]2(O)c1cccc(O)c1,CHEMBL3809491,6.85
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diff --git a/chembl_200/CHEMBL2366517.csv b/chembl_200/CHEMBL2366517.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3aa3411670e961f2518d16808afeba48c6d40555
--- /dev/null
+++ b/chembl_200/CHEMBL2366517.csv
@@ -0,0 +1,589 @@
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+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C,CHEMBL271756,8.14
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(I)cc1)C(C)(C)C,CHEMBL272849,8.35
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(OCc2cnc(Cl)s2)cc1)C(C)(C)C,CHEMBL272848,8.26
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2cn3ccsc3n2)cc1)C(C)(C)C,CHEMBL442805,8.64
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1)C(C)(C)C,CHEMBL405092,7.62
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2csc(C)n2)cc1)C(C)(C)C,CHEMBL405858,8.46
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2nccs2)cc1)C(C)(C)C,CHEMBL405316,8.64
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2noc(C)n2)cc1)C(C)(C)C,CHEMBL406420,8.44
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-n2ccnc2)cc1)C(C)(C)C,CHEMBL429609,8.48
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(CN2CCOCC2)cc1)C(C)(C)C,CHEMBL270080,7.96
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C,CHEMBL269874,8.44
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2cncnc2)cc1)C(C)(C)C,CHEMBL272832,8.62
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+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CC(C)C)C(C)(C)C,CHEMBL442971,8.17
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(N(C)C)cc1)C(C)(C)C,CHEMBL273031,8.31
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(C#N)cc1)C(C)(C)C,CHEMBL271818,8.54
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL259895,8.48
+COC(=O)N[C@H](C(=O)NN(CCC[C@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL259039,6.38
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(Cl)cc1)C(C)(C)C,CHEMBL405041,8.47
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(F)cc1)C(C)(C)C,CHEMBL437606,8.17
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL406493,8.89
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL270981,8.22
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL407875,8.49
+Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C,CHEMBL300891,10.485
+CCOc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CCC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)cc1,CHEMBL437457,9.06
+COc1cccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CCC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)c1,CHEMBL272796,9.12
+COc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CCC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)cc1,CHEMBL408620,9.09
+Cc1cccc(C)c1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cccc(N)c2Cl)CSC1(C)C,CHEMBL403526,10.15
+CCOc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)cc1,CHEMBL257257,9.82
+COc1cccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)c1,CHEMBL256934,9.87
+COc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)cc1,CHEMBL409007,9.86
+Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cccc(N)c2Cl)CSC1(C)C,CHEMBL271391,9.79
+CCOc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)cc1,CHEMBL272025,9.51
+COc1cccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)c1,CHEMBL269904,9.59
+COc1ccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)cc1,CHEMBL272797,9.51
+Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(N)c2Cl)CSC1(C)C,CHEMBL404154,9.45
+C=CCN([C@H]1CNC[C@@H]1N(CC=C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL540383,4.91
+NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@H]2CNC[C@@H]2N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1,CHEMBL557378,7.15
+Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL557667,6.57
+NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1,CHEMBL536543,6.59
+O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL536541,5.76
+O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl,CHEMBL539353,6.11
+Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1C,CHEMBL536771,6.17
+O=S(=O)(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL558975,6.1
+O=S(=O)(c1ccccc1)N(Cc1ccc(I)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(I)cc1)S(=O)(=O)c1ccccc1,CHEMBL557951,6.41
+O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1,CHEMBL540122,6.34
+O=S(=O)(c1ccccc1)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL558974,5.67
+CC(C)=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL558037,5.8
+C=C(C)CN([C@H]1CNC[C@@H]1N(CC(=C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL540637,4.13
+CC(C)CN(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1,CHEMBL403306,10.54
+O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL33647,10.3
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)NC(Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL455734,5.96
+COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N1CCC([C@H](C)NC(=O)[C@H](C)N)=C[C@@H](Cc2ccccc2)C1)C(C)C)C(C)C,CHEMBL506279,6.36
+CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1nc2ccccc2[nH]1,CHEMBL443355,8.49
+CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O,CHEMBL487866,4.76
+O=C1N[C@@H](Cc2ccccc2)C(O)[N+]2(CCCCC2)N1Cc1ccccc1,CHEMBL466684,4.54
+CC(C)(C)NC(=O)[C@@H]1CCC[N+]12C(O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1,CHEMBL466688,4.427
+CC(C)C(N)C(=O)NC1(Cc2ccccc2)CC[N+]2(CCCC2C(=O)NC(=O)C(NC(C)(C)C)C(C)C)C1O,CHEMBL466502,4.013
+CCCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL498854,5.08
+CCCCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL446001,5.17
+CCCCCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CCCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL510483,5.64
+CCCCCCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CCCCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL504512,5.89
+CC(C)C[C@H](NC(=O)[C@H](CSCCOCCOCCSC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL478672,5.9
+CC[C@@H](C)[C@H](NC(=O)[C@H](CSCCOCCOCCSC[C@H](NC(=O)CCCCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CCCCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL508493,4.4
+CC(C)C[C@H](NC(=O)[C@H](CSCCOCCOCCSC[C@H](NC(=O)CCCCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CCCCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL454643,4.06
+CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL449777,5.52
+CCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL450301,4.77
+O=S(=O)(c1ccccc1)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1,CHEMBL487288,5.42
+O=S(=O)(c1ccccc1)N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1,CHEMBL521384,4.85
+Nc1ccc(S(=O)(=O)N(CCNCCN(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)Cc2ccccc2)cc1,CHEMBL519079,5.02
+CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL490184,6.05
+CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL521590,5.0
+O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL109952,9.43
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(COC(=O)N[C@H]3c4ccccc4C[C@H]3O)nn2)cc1,CHEMBL503571,8.57
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCN(C)CCOC2)cc1,CHEMBL450294,7.72
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCS(=O)(=O)CCOC2)cc1,CHEMBL449291,8.72
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCOCOCCOC2)cc1,CHEMBL503401,8.2
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCOCCOCCOC2)cc1,CHEMBL510485,7.48
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCOCCOC2)cc1,CHEMBL494114,7.8
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCOC2)cc1,CHEMBL523528,10.39
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCCCCC2)cc1,CHEMBL492666,7.57
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCCOCC2)cc1,CHEMBL494500,9.13
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCCCOC2)cc1,CHEMBL494499,9.09
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOCOC2)cc1,CHEMBL492254,10.59
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCCOCOC2)cc1,CHEMBL512807,9.8
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOCOC2)cc1,CHEMBL517126,9.8
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCCOCOC2)cc1,CHEMBL467420,9.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1,CHEMBL482842,8.85
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@]3(CCCO3)C2)cc1,CHEMBL486890,8.54
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCO[C@]3(CCCO3)C2)cc1,CHEMBL486891,8.41
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCS(=O)(=O)C2)cc1,CHEMBL161005,8.85
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+C=CCOc1cc(OC)ccc1S(=O)(=O)N(CC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL577776,10.0
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+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc(CO)cc1,CHEMBL1276082,9.54
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+CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(CO)cc3)OC2=O)c1,CHEMBL1276084,9.63
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+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL1276086,10.6
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+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1=O)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165892,7.38
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOC1=O)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165891,10.77
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCNC1=O)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165890,9.66
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165889,8.48
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165888,8.89
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CCC(C)=O)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165887,8.47
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(F)(F)F)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165885,7.71
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CC(=O)OC)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165884,7.94
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165883,9.2
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1=O)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165882,7.18
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCNC1=O)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165880,9.4
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165908,9.39
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165907,8.53
+CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CCC(C)=O)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165906,8.16
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+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165899,8.86
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165898,9.64
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CCC(C)=O)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165897,9.52
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165896,10.22
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(F)(F)F)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165895,8.04
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CC(=O)OC)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165894,9.23
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165919,10.26
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1=O)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165918,7.45
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCNC1=O)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165916,10.32
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165915,10.55
+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2165914,8.7
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+CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1,CHEMBL2165909,9.61
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+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(N)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296984,10.22
+Nc1cccc(CN2C(=O)N(Cc3ccc4c[nH]nc4c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296983,10.1
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+CN1C=CSC1C(=O)Nc1cccc(CN2C(=O)N(Cc3cccc(NC(=O)C4SC=CN4C)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296981,10.52
+Cc1ccc(C(=O)Nc2cccc(CN3C(=O)N(Cc4cccc(NC(=O)c5ccc(C)cn5)c4)C(Cc4ccccc4)C(O)C3CCc3ccccc3)c2)nc1,CHEMBL2296980,10.1
+Nc1cc(CN2C(=O)N(Cc3ccc(F)c(N)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)ccc1F,CHEMBL2296979,9.6
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(C#N)c3)C(Cc3cccc(F)c3)C(O)C2CCc2ccc(F)cc2)c1,CHEMBL2296978,7.85
+O=C1N(Cc2cccc3ccccc23)C(Cc2ccccc2)C(O)C(C(Br)Cc2ccccc2)N1Cc1cccc2ccccc12,CHEMBL2296977,7.0
+Nc1cccc(CN2C(=O)N(Cc3ccc4c(N)[nH]nc4c3)C(CCc3ccccc3)C(O)C2Cc2ccccc2)c1,CHEMBL2296976,10.0
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(N)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296975,8.8
+Cc1[nH]nc2cc(CN3C(=O)N(Cc4cccc(N)c4)C(Cc4ccccc4)C(O)C3CCc3ccccc3)ccc12,CHEMBL2296974,9.89
+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccccc4)C(CCc4ccccc4)C(O)C3Cc3ccccc3)cc12,CHEMBL2296973,9.55
+Nc1[nH]nc2cc(CN3C(=O)N(Cc4ccccc4)C(Cc4ccccc4)C(O)C3CCc3ccccc3)ccc12,CHEMBL2296972,9.19
+N#Cc1cc(CN2C(=O)N(Cc3ccccc3)C(CCc3ccccc3)C(O)C2Cc2ccccc2)ccc1F,CHEMBL2296971,7.4
+N#Cc1cc(CN2C(=O)N(Cc3ccccc3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)ccc1F,CHEMBL2296970,7.48
+O=C1NC(CCc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL2296969,8.92
+Cc1[nH]nc2ccc(CN3C(=O)NC(CCc4ccccc4)C(O)C3Cc3ccccc3)cc12,CHEMBL2296968,9.42
+N=C(NO)c1cc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)ccc1F,CHEMBL2296967,8.85
+N=C(NO)c1cccc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)c1,CHEMBL2296966,9.62
+NC(=O)c1cc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)ccc1F,CHEMBL2296965,7.85
+NC(=O)c1cccc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)c1,CHEMBL2296964,8.25
+N#Cc1cc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)ccc1F,CHEMBL2296963,6.96
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+O=C1N(Cc2cccc(O)c2)C(Cc2ccccc2)C(O)C(C(F)Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL2296961,7.92
+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(N)c5c4)C(Cc4ccccc4)C(O)C3CCc3ccccc3)cc12,CHEMBL2296960,10.52
+Cc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(C)c5c4)C(Cc4ccccc4)C(O)C3CCc3ccccc3)cc12,CHEMBL2296959,10.0
+O=C1N(Cc2ccc3n[nH]cc3c2)C(CCc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL2296958,10.22
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+CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296956,7.64
+Nc1ccc(CN2C(=O)N(Cc3ccc(N)c(F)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)cc1F,CHEMBL2296701,8.1
+Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296700,8.77
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+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)C(Cc3ccc(F)c(F)c3)C(O)C2CCc2ccc(F)c(F)c2)c1,CHEMBL2296695,9.82
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)C(Cc3ccc(F)cc3)C(O)C2CCc2ccc(F)cc2)c1,CHEMBL2296694,9.51
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296693,10.05
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296692,9.04
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(C#N)c3)C(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296691,7.96
+Nc1cccc(CN2C(=O)NC(Cc3ccccc3)C(O)C2CCc2ccccc2)c1,CHEMBL2296690,8.21
+Nc1cccc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)c1,CHEMBL2296689,6.8
+N#Cc1cccc(CN2C(=O)NC(CCc3ccccc3)C(O)C2Cc2ccccc2)c1,CHEMBL2296688,7.82
+O=C1NC(CCc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1ccccc1,CHEMBL2296687,7.18
+O=C1NC(C(O)Cc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1ccccc1,CHEMBL2296686,6.49
+O=C1N(Cc2cccc3ccccc23)C(Cc2ccccc2)C(O)C(C(F)Cc2ccccc2)N1Cc1cccc2ccccc12,CHEMBL2296685,6.27
+O=C1N(Cc2ccccc2)C(Cc2ccccc2)C(O)C(C(Br)Cc2ccccc2)N1Cc1ccccc1,CHEMBL2296684,6.73
+O=C1NC(CCc2ccccc2)C(O)C(Cc2ccccc2)N1,CHEMBL2296683,6.01
+O=C1N(Cc2cccc3ccccc23)C(CCc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1cccc2ccccc12,CHEMBL2296986,7.64
+O=C1N(Cc2ccccc2)C(CCc2ccccc2)C(O)C(Cc2ccccc2)N1Cc1ccccc1,CHEMBL2296985,7.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1,CHEMBL1232930,9.3
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC(C)(C)C[C@H]3O[C@@H]4OCC[C@@H]4[C@@H]23)cc1,CHEMBL2426455,8.06
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CC(C)(C)C[C@@H]3O[C@H]4OCC[C@H]4[C@@H]32)cc1,CHEMBL2426456,6.86
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCC[C@H]3O[C@@H]4OCCC[C@@H]4[C@@H]23)cc1,CHEMBL2426457,9.39
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2COC[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1,CHEMBL2426458,10.68
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2COC[C@@H]3O[C@H]4OCC[C@H]4[C@H]23)cc1,CHEMBL2426450,8.51
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CS(=O)(=O)C[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1,CHEMBL2426451,9.22
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CS(=O)(=O)C[C@@H]3O[C@H]4OCC[C@H]4[C@H]23)cc1,CHEMBL2426452,7.98
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCC[C@H]3O[C@@H]4OCC[C@@H]4[C@@H]23)cc1,CHEMBL2426453,11.0
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCC[C@@H]3O[C@H]4OCC[C@H]4[C@@H]32)cc1,CHEMBL2426454,9.35
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)C,CHEMBL3086265,8.57
+COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)CC=CCNC(=O)[C@H](C(C)(C)C)NC1=O)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3086264,8.38
+COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)CC=CCNC(=O)[C@H](C(C)C)NC1=O)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3086263,8.51
+COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)C=CCNC(=O)[C@H](C(C)(C)C)NC1=O)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3086262,8.3
+C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C,CHEMBL3086261,6.14
+C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)C,CHEMBL3086260,6.11
+C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3086259,6.01
+C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C,CHEMBL3086258,6.0
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)(C)C,CHEMBL3086257,7.43
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C,CHEMBL3086256,7.52
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C,CHEMBL3086255,7.8
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)C,CHEMBL3086254,7.82
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3086253,8.0
+C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C,CHEMBL3086252,7.96
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(OCP(=O)(OC)OC)cc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL3219308,10.74
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221300,8.21
+CNC(=O)[C@H](CC(C)C)NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1,CHEMBL3221302,7.19
+CNC(=O)[C@H](C)NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1,CHEMBL3221303,7.74
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1,CHEMBL3221304,6.77
+COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H](CO)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C,CHEMBL3221305,6.89
+CNC(=O)[C@@H](NC(=O)[C@@](CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)(Cc1ccccc1)[Si](C)(C)C(C)(C)C)C(C)(C)C,CHEMBL3221306,5.57
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221307,8.34
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2cccnc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221308,8.51
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccncc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221575,8.46
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccsc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221576,8.44
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccc3c(c2)OCO3)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221577,8.32
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(C#Cc2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221578,8.15
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(C#Cc2cccnc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221579,8.47
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(C#Cc2ccncc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221580,8.18
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221581,8.2
+CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C,CHEMBL3221582,8.46
+O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2[nH]c(=S)sc2c1,CHEMBL3393116,4.03
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC)cc(OC)c3)c2)NC(=O)OC(C)(C)C)cc1,CHEMBL3581673,9.09
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3ccc4c(c3)OCO4)c2)NC(=O)OC(C)(C)C)cc1,CHEMBL3581672,7.74
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC(F)(F)F)cc(OC(F)(F)F)c3)c2)NC(=O)OC(C)(C)C)cc1,CHEMBL3581671,7.03
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(C)cc(C)c3)c2)NC(=O)OC(C)(C)C)cc1,CHEMBL3581670,7.31
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC)cc(OC)c3)c2)NC(=O)O[C@H]2CCOC2)cc1,CHEMBL3581669,9.24
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)NC(=O)O[C@H]2CCOC2)cc1,CHEMBL3581668,8.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(C)cc(C)c3)c2)NC(=O)O[C@H]2CCOC2)cc1,CHEMBL3581667,9.2
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC)cc(OC)c3)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL3581666,10.85
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(C)cc(C)c3)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL3581665,9.35
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL3581664,10.85
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3c(OC)cccc3OC)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL3581663,10.6
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+COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)NNC(=O)c3cc(NC(C)=O)ccc3OC)C(C)C)cc2c1)C(C)C,CHEMBL3580815,6.66
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+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)N(C)Cc2nc(C)oc2C)cc1,CHEMBL3683775,6.22
+Cc1nc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)c2)c(C)o1,CHEMBL3683776,8.7
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+COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc2ccccc2)n2cc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)nn2)cc1,CHEMBL3797292,8.4
+Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1,CHEMBL269769,8.1
+CC[C@H](C)CN(C[C@@H](O)C(Cc1ccccc1)N(C(=O)OC)[C@H]1CCC(=O)N1)S(=O)(=O)c1cccc2ncsc12,CHEMBL3799500,7.81
diff --git a/chembl_200/CHEMBL237.csv b/chembl_200/CHEMBL237.csv
new file mode 100644
index 0000000000000000000000000000000000000000..66a0bb4c8b675f655c2d978016d55169a8be5d27
--- /dev/null
+++ b/chembl_200/CHEMBL237.csv
@@ -0,0 +1,2548 @@
+CN1CCC23c4c5ccc(O)c4OC2c2nc(N)ncc2CC3(O)C1C5,CHEMBL332947,7.68
+CN1CCC23c4c5ccc(O)c4OC2c2nc(-c4ccccc4)ncc2CC3(O)C1C5,CHEMBL112656,7.35
+Cc1ncc2c(n1)C1Oc3c(O)ccc4c3C13CCN(C)C(C4)C3(O)C2,CHEMBL431074,7.16
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]ncc2CC3(O)C1C5,CHEMBL112035,7.92
+CN1CCC23c4c5ccc(O)c4OC2c2[nH]c(=O)ncc2CC3(O)C1C5,CHEMBL114803,7.91
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CC[C@@H]1N1CCCC1,CHEMBL538806,8.0
+COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL350943,8.22
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@H](C)C1,CHEMBL102497,5.66
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL13470,5.4270000000000005
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL321092,5.06
+C=CCN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL22650,5.43
+C=CCN1CCC(N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C(C)C1,CHEMBL115730,5.48
+O=C1NCN(c2ccccc2F)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL431002,6.8
+O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2,CHEMBL1907858,7.6
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL281274,7.595
+O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL77324,7.1
+Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1,CHEMBL75676,6.7
+O=C1NCN(c2cccc(Cl)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL312021,7.3
+O=C1NCN(c2cccc(Br)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL419272,7.1
+Cc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,CHEMBL308522,7.7
+O=C1NCN(c2cccc(F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL78156,7.9
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2,CHEMBL355202,7.7
+O=C1NCN(c2ccc(F)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,CHEMBL306150,7.2
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,6.71
+COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL485,4.59
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,8.64
+CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110816,8.8
+CCCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL326875,9.52
+CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL107655,8.2
+CCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323987,9.55
+CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL324644,9.17
+CCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108938,9.6
+CCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL106758,8.8
+CC(C)CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323726,8.86
+CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL323398,8.09
+CCCCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL432403,8.25
+O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL109009,8.21
+CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL91683,9.54
+CCCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108024,7.66
+O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL108083,8.66
+CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110487,9.07
+CCCCCNC(=N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL110894,8.84
+COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)C3Cc5ccc(O)c6c5[C@@]2(CCN3CC2CC2)[C@H]4O6)cc1,CHEMBL431060,8.68
+O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL111530,7.99
+CCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL321408,7.91
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5,CHEMBL2113380,7.2
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,6.327000000000001
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)Cc2ccccc2)C1C5,CHEMBL2113379,6.83
+CCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113377,7.44
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113383,7.2
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCCc2ccccc2)C1C5,CHEMBL2113378,8.11
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)C1C5,CHEMBL2113376,6.4
+CCCCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113372,6.39
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCc2ccccc2)C1C5,CHEMBL2113382,7.86
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)CCc2ccccc2)C1C5,CHEMBL2113373,7.61
+CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL2113381,6.14
+OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL109598,5.78
+CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL111192,5.38
+OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,CHEMBL113684,5.37
+CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL109563,5.22
+CO[C@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169583,8.41
+CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113672,8.96
+CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL2113671,9.08
+CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169582,7.36
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144469,6.98
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144471,7.11
+CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144468,5.37
+N=C(N)NCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144465,6.82
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,CHEMBL3144467,6.11
+O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL101454,7.37
+CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL97979,5.41
+CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL99738,6.43
+CC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2,CHEMBL100938,6.76
+O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL316699,7.28
+O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1,CHEMBL320182,6.69
+CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL328411,7.13
+CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL418980,6.83
+O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1,CHEMBL102900,7.5
+O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1,CHEMBL2112407,6.43
+O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1,CHEMBL101676,7.26
+O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1,CHEMBL317152,6.64
+O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1,CHEMBL320874,7.07
+O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCC[C@@H]3C2)CC1,CHEMBL319307,6.86
+O=C1Cc2ccccc2N1C1CCN(C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL100574,6.46
+O=C1Cc2ccccc2N1C1CCN(C2CCCc3ccccc32)CC1,CHEMBL101118,7.67
+O=C1Cc2ccccc2N1C1CCN(C[C@@H]2CC3CCC2C3)CC1,CHEMBL2111608,6.5
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407389,8.345
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL1790761,7.26
+O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F,CHEMBL334156,9.275
+CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111836,9.37
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127968,9.26
+COc1cccc2c1C(c1ccccc1)=NCC(CCNC(=O)c1cccs1)N2C,CHEMBL126596,8.42
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL341529,9.44
+O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1,CHEMBL123898,9.6
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL124015,9.15
+CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CCNC(=O)c1ccsc1,CHEMBL2111838,9.77
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(Cl)cc1,CHEMBL340001,8.88
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111837,9.16
+O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccc(F)cc1,CHEMBL341056,9.55
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127463,9.52
+CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CCNC(=O)c1ccsc1,CHEMBL2448130,9.15
+CN1c2ccccc2C(c2ccccc2F)=NCC1CCNC(=O)c1ccsc1,CHEMBL127828,9.43
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL126282,8.815
+O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1,CHEMBL126688,9.35
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL127969,9.24
+CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448128,8.89
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cc2ccccc2[nH]1,CHEMBL127619,7.87
+CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1,CHEMBL338393,8.36
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448129,9.1
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL338391,9.325
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C\c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL108608,7.46
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2,CHEMBL109040,9.7
+CC(C)=CC[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,CHEMBL322875,6.36
+C/C=C1\C[C@@]23Cc4c([nH]c5ccccc45)[C@@H]1[C@@]21CCN(C)C3Cc2ccc(OC)c(O)c21,CHEMBL320306,6.62
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C(/C)c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL107420,9.21
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C(\C)c1ccccc1)C2,CHEMBL110124,9.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(C/C=C/c2ccccc2)C1C5,CHEMBL110461,7.03
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12CC(=C(C)C)[C@@H]3c1[nH]c3ccccc3c1C2,CHEMBL107207,7.55
+CC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL108417,5.39
+CCCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL322717,5.71
+Cc1ccc(C(c2ccc(C)cc2)N2CC[C@H]2[C@H](N)c2cccc(Cl)c2)cc1,CHEMBL110138,5.73
+CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL110379,5.67
+COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1,CHEMBL448155,5.87
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL321462,5.65
+CCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL107288,5.43
+CCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL108893,5.46
+N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1,CHEMBL327118,5.22
+N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL108904,6.22
+CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL324895,5.19
+N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1,CHEMBL317479,6.19
+CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1,CHEMBL320804,5.11
+CCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,CHEMBL110933,5.53
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL265813,9.64
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CHEMBL407832,8.6
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+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112473,8.74
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C,CHEMBL2112474,7.79
+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,CHEMBL281986,8.98
+CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,CHEMBL31030,8.51
+CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL416765,9.06
+CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,CHEMBL31605,8.89
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+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216696,9.72
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL269377,7.19
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405097,7.03
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405190,9.82
+Oc1ccc2c3c1O[C@H]1c4[nH]cc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL436273,7.35
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL151476,6.73
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+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,CHEMBL440179,6.72
+N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112373,9.31
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+CCC/N=C(\NCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610035,8.57
+N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccccc1,CHEMBL610042,8.85
+N=C(NCc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL610045,9.18
+CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C,CHEMBL28198,8.26
+COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O,CHEMBL283432,7.76
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2,CHEMBL26638,7.77
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2,CHEMBL27716,7.33
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2,CHEMBL27699,7.68
+O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283910,7.4
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2,CHEMBL447779,7.79
+Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL280827,7.36
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,CHEMBL283617,7.32
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2,CHEMBL26999,7.33
+CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,CHEMBL27729,7.77
+O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2,CHEMBL28172,6.79
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL283480,7.35
+C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,CHEMBL283265,7.58
+O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL285377,7.28
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2,CHEMBL418020,7.33
+O=C1NCN(c2ccccc2)C12CCN(C1CCc3cc(Cl)ccc3C1)CC2,CHEMBL27093,6.83
+O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1,CHEMBL26483,7.54
+O=C1N(CCO)CN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,CHEMBL26987,7.79
+CCCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,CHEMBL70693,9.645
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1,CHEMBL347531,8.24
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCCc1ccccc1,CHEMBL347750,8.44
+CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1,CHEMBL421789,8.54
+CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1,CHEMBL150839,7.12
+CNC(c1ccccc1)C(C)(C)C(=O)NCC1CCCCC1,CHEMBL147191,8.92
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12,CHEMBL151921,8.89
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1,CHEMBL146750,8.3
+CNC(c1ccccc1)C(C)(C)C(=O)NCCc1ccccc1,CHEMBL146918,7.31
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1,CHEMBL347316,7.12
+CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1,CHEMBL149280,8.2
+CNC(c1ccccc1)C(C)(C)C(=O)NCc1ccccc1,CHEMBL149143,6.33
+C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL136838,6.92
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL336234,7.02
+C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138473,6.72
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1,CHEMBL138036,6.08
+C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138778,6.34
+C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138653,6.68
+C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138910,6.52
+CNC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,CHEMBL136421,5.89
+C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL136196,6.85
+C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL334700,6.85
+C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL343063,6.68
+CSc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,CHEMBL336664,6.92
+C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL337341,6.22
+CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)CC(C)(C)C,CHEMBL138930,8.27
+C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL138465,6.85
+CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)c1ccccc1,CHEMBL139180,7.0
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL319536,7.672000000000001
+CC(=O)Nc1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,CHEMBL138750,5.96
+COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,CHEMBL138842,6.66
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1,CHEMBL136612,5.85
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H]1O5,CHEMBL606924,9.31
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CCCO2)CC[C@]314,CHEMBL606876,7.21
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CCc2ccccc2)CC[C@]314,CHEMBL606923,8.85
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL606925,9.96
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCCO2)[C@H]1O5,CHEMBL606986,10.1
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL514774,9.39
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5,CHEMBL606987,9.22
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL606985,9.43
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL38576,10.35
+CN(C(=O)Cc1ccccc1N)[C@H](CN1CCCC1)c1ccccc1,CHEMBL316177,9.24
+CN(C(=O)Cc1ccc(N)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL87514,9.03
+CN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL313484,10.19
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1,CHEMBL87653,10.04
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL86324,10.24
+CN(C(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,CHEMBL85423,8.07
+CN(C(=O)Cc1ccccc1C(F)(F)F)[C@H](CN1CCCC1)c1ccccc1,CHEMBL87306,9.89
+CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL82919,10.19
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1N)[C@H](CN1CCCC1)c1ccccc1,CHEMBL87069,10.07
+CN(C(=O)Cc1cccc(N)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL87483,9.03
+CN(C(=O)Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL83142,7.6
+CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL87986,8.96
+CN(C(=O)Cc1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL85591,8.22
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,CHEMBL424609,10.02
+CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1,CHEMBL87207,9.39
+CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL88560,6.47
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCC(CO)C1,CHEMBL541804,8.15
+CN(C(=O)Cc1cccc2ccsc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL555100,7.77
+CN(C(=O)Cc1ccc2sccc2c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL536550,7.03
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL544960,8.43
+CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC,CHEMBL556414,7.74
+CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12,CHEMBL542102,5.7
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1,CHEMBL553665,6.74
+O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545654,6.58
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCC[C@H]1N1CCCC1,CHEMBL553010,6.81
+CN(C(=O)Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL558227,6.84
+CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL555649,5.09
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1,CHEMBL540277,6.74
+CN(C(=O)Cc1cccc2[nH]ccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL43104,6.09
+O=C(Cc1cccc2sccc12)NCCN1CCCC1,CHEMBL554205,4.6
+Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)CCCC2,CHEMBL610534,8.39
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL386272,7.742000000000001
+O=C(/C=C/c1ccc(Cl)cc1)NC12CCC(=O)C3Oc4cccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610542,7.92
+CCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117319,6.34
+CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117183,7.64
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2,CHEMBL114203,6.95
+CCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114123,7.37
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114358,7.49
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324505,5.64
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL115998,6.14
+CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL325052,5.42
+CCCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL116643,5.64
+CCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL113703,8.31
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C,CHEMBL115917,7.77
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326548,6.15
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116738,7.11
+CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326103,7.8
+CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324392,6.13
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL114163,5.64
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117321,5.64
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL117128,5.42
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116354,5.64
+CCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL326571,6.11
+CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117379,8.7
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2,CHEMBL326370,5.42
+COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13,CHEMBL554230,5.29
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccccn1)N(C)C2c1ccccn1,CHEMBL177284,7.82
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1cccc(O)c1)N(C)C2c1cccc(O)c1,CHEMBL180074,7.7
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1cccc(C)c1)N(C)C2c1cccc(C)c1,CHEMBL179350,6.09
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccc3ccccc3n1)N(C)C2c1ccc2ccccc2n1,CHEMBL369719,6.72
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1cccc(F)c1)N(C)C2c1cccc(F)c1,CHEMBL447234,7.59
+CCOC(=O)C12CN(C)CC(C(=O)OCC)(C1=O)C(c1ccc(Cl)cc1)N(C)C2c1ccc(Cl)cc1,CHEMBL366367,5.7
+CN1CC2(C(=O)O)C(=O)C(C(=O)O)(C1)C(c1ccccc1)N(C)C2c1ccccc1,CHEMBL177406,6.68
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccc(OC)cc1)N(C)C2c1ccc(OC)cc1,CHEMBL177957,7.74
+COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccc(F)cc1)N(C)C2c1ccc(F)cc1,CHEMBL362207,6.85
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL420903,5.19
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL122321,5.8
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)c1cccc(C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL435084,8.47
+O=C(CCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL424328,8.96
+O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL146756,10.105
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCCN1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3,CHEMBL424327,7.62
+O=C(CCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL405131,9.19
+c1cc2c(cc1OCCCCCCCCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL151872,6.92
+O=C(CCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL346885,8.92
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL413512,10.0
+COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL357334,10.15
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL358104,9.39
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCCCCCN1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3,CHEMBL356889,7.3
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)c1ccc(C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL149074,8.38
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL147511,10.31
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL49269,10.47
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)[C@H]1C[C@H]1C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL150061,9.77
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL301160,10.103
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL433697,10.12
+c1cc2c(cc1OCCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL348023,7.74
+CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL318859,9.57
+O=C(CCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL346436,9.23
+CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1,CHEMBL286411,5.21
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1,CHEMBL2113262,5.86
+O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1,CHEMBL280778,5.77
+N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL485832,9.77
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1,CHEMBL330291,7.25
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1,CHEMBL2112346,6.77
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+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112345,6.53
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1,CHEMBL315551,7.57
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(c4ccccc4)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112347,6.29
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112344,6.59
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112341,6.83
+CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1,CHEMBL2112348,6.88
+CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1,CHEMBL316086,6.88
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+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C,CHEMBL331883,6.91
+CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1,CHEMBL290429,7.37
+CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C,CHEMBL12391,7.24
+CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1,CHEMBL609147,7.2
+C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1,CHEMBL318723,6.08
+CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL544956,7.16
+O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545182,6.48
+O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@H]21,CHEMBL555990,4.55
+CN(C(=S)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL543780,7.28
+CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3occc23)[C@@H](N2CCCC2)C[C@H]1OC,CHEMBL555835,7.8
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCCC[C@H]1N1CCCC1,CHEMBL538230,7.92
+CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL545185,4.43
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCC(CO)C1,CHEMBL543301,7.77
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL95847,5.51
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,6.24
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL318957,5.49
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)C1C5,CHEMBL98324,6.0
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL317536,6.52
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,7.42
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5,CHEMBL95319,5.42
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)C1C5,CHEMBL319592,5.35
+CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL104169,7.18
+C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)C2N,CHEMBL108068,7.36
+CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL421038,6.46
+CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL106432,6.74
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1,CHEMBL40859,6.39
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(O)cc1)Nc1ccccc1,CHEMBL40548,6.28
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O,CHEMBL41946,6.27
+COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC,CHEMBL288468,7.4
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1,CHEMBL40825,6.32
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1,CHEMBL41883,6.29
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1,CHEMBL39968,6.51
+CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1,CHEMBL289137,6.32
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1,CHEMBL288205,6.52
+O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(O)c1)Nc1ccccc1,CHEMBL41736,6.71
+COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL40993,6.96
+COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,CHEMBL39272,6.89
+O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1C=O,CHEMBL610541,9.15
+CC[C@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(O)cc31)[C@@H]2C,CHEMBL422551,9.68
+CN(C(=O)Cc1c(OCCN2CCCC2)ccc2ccccc12)C1CCCCC1,CHEMBL353654,6.8
+O=C(Cc1cccc2occc12)NCC12CCCN1CCC2,CHEMBL170603,6.03
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL102690,5.86
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407084,9.72
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL412248,7.7
+CN(C(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL94734,8.24
+CN1CCC2(c3cccc(O)c3)CCCC1C2,CHEMBL285250,6.955
+CN1CCC2(c3cccc(O)c3)CCCC1[C@H]2O,CHEMBL290855,6.96
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL242756,10.31
+Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1,CHEMBL299713,7.89
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1,CHEMBL301701,9.31
+CN1CC[C@]23c4c5cc6sc(N)nc6c4OC2[C@@H](O)CCC3[C@H]1C5,CHEMBL294168,6.66
+C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL59092,9.74
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48241,9.32
+C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1,CHEMBL56356,8.17
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL390866,9.1
+O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c23)C2Oc3c(O)ccc5c3[C@@]23CCN(CC2CC2)[C@H](C5)[C@]3(O)C4)cc1C=O,CHEMBL609998,7.7
+CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL169552,8.62
+COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL178129,7.09
+O=C1[C@@H](c2ccc(Cl)cc2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL364879,7.46
+COc1ccc(C2CC=CCN(C(CN3CCCC3)c3ccccc3)C2=O)cc1,CHEMBL183533,7.66
+COc1ccc([C@H]2CC=CCN(C(CN3CCCC3)c3ccccc3)C2=O)cc1,CHEMBL362329,6.1
+O=C1C(c2ccc(C(F)(F)F)cc2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL362757,9.14
+O=C1C(c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL185964,5.72
+O=C1C(Oc2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL363983,8.59
+O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL187124,9.7
+O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1,CHEMBL361254,7.92
+O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL363525,7.77
+O=C1C(c2ccc(Cl)cc2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL188063,8.7
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1,CHEMBL320882,10.4
+O=C1C(c2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,CHEMBL184811,9.47
+COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL188553,7.72
+C=C(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL370912,7.425
+COC(=O)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL360404,6.37
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL363324,7.05
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL191014,5.71
+COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL365216,8.64
+COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL427337,5.79
+COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190910,5.5
+COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL363482,6.19
+COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190902,7.19
+COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL190785,7.03
+C=CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL191180,6.92
+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189643,8.89
+CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1,CHEMBL192520,8.21
+CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL447185,8.57
+CN(C(=O)Cc1ccccc1CNS(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,CHEMBL364907,7.92
+CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL370538,8.55
+CN(C(=O)Cc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL190030,8.0
+CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL363822,8.89
+CN(C(=O)Cc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL191987,9.4
+CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL362741,9.1
+CN(C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL189430,8.55
+CN(C(=O)Cc1ccccc1CN)[C@H](CN1CCCC1)c1ccccc1,CHEMBL192677,8.0
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL189683,8.54
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190600,8.23
+CN(C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL192718,8.77
+CN(C(=O)Cc1ccc2c(c1)CN(S(C)(=O)=O)C2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL363718,8.72
+CN(C(=O)Cc1cccc(CN)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL192734,8.06
+CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL425897,9.22
+CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL190353,8.23
+CN(C(=O)Cc1ccc(CN)cc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL189257,7.24
+CC(=O)NCc1ccccc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1,CHEMBL539685,8.72
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+CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL190766,8.89
+CC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1,CHEMBL359557,7.33
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(OCC(=O)O)c1,CHEMBL23472,8.57
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(O)c1,CHEMBL181279,9.36
+COc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1,CHEMBL180803,9.28
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1,CHEMBL360678,8.54
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(OCC(=O)O)c1,CHEMBL185554,8.43
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1,CHEMBL365198,9.2
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(N)c1,CHEMBL183248,9.51
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(NS(C)(=O)=O)c1,CHEMBL365486,9.44
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(NS(N)(=O)=O)c1,CHEMBL362248,9.32
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(NC(=O)CCC(=O)O)c1,CHEMBL181922,8.02
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(N(CC(=O)O)CC(=O)O)c1,CHEMBL362458,5.64
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL426084,9.64
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+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]2(CCN3CC2CC2)C1,CHEMBL195787,8.66
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL370029,9.57
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+CN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL188841,6.48
+CCCNC1CCc2ccc(O)cc2C1(C)C,CHEMBL185763,6.6
+CCCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL186154,6.74
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+CC1(C)c2cc(O)ccc2CCC1NCC1CC1,CHEMBL188920,6.63
+CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365228,6.84
+CC1(C)c2cc(O)ccc2CCC1N(CC1CC1)CC1CC1,CHEMBL188411,5.74
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+C=CCN(C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL442413,6.58
+C=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C,CHEMBL364133,7.25
+CC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1,CHEMBL189243,7.08
+CN(C/C=C/c1ccccc1)C1CCc2ccc(O)cc2C1(C)C,CHEMBL365483,6.68
+CC1(C)c2cc(O)ccc2CCC1N(C/C=C/c1ccccc1)C/C=C/c1ccccc1,CHEMBL435305,5.9
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N,CHEMBL187635,6.83
+CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1,CHEMBL189571,8.12
+COc1ccc(C(=O)NCC(=O)N(C)[C@H](CN2CC[C@@H](O)C2)c2ccccc2)cc1,CHEMBL369720,7.32
+CN(C(=O)C(NC=O)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL360736,6.59
+CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL368250,6.86
+CN(C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL178581,6.07
+CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL179064,6.82
+COC(=O)N[C@H](C(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccccc1,CHEMBL181509,6.75
+CN(C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL182106,7.0
+CN(C(=O)CNC(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL181663,7.08
+CN(C(=O)CNC(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL359543,7.79
+CN(C(=O)CNC(=O)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL178359,8.17
+CN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,CHEMBL361199,8.44
+CN(C(=O)CNC(=O)c1ccc2c(c1)no[n+]2[O-])[C@H](CN1CCCC1)c1ccccc1,CHEMBL180598,8.34
+CN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[C@H](CN1CC[C@@H](O)C1)c1ccccc1,CHEMBL181941,9.08
+CN(CC(=O)N(C)[C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL178101,7.7
+COc1ccccc1C(=O)NCC(=O)N(C)[C@H](CN1CC[C@@H](O)C1)c1ccccc1,CHEMBL179627,8.7
+CC(=O)O[C@H]1C[C@@H](C(=O)O)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL197037,7.31
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+C#CCCCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL415460,6.7
+COCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL196734,7.0
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+CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL194896,6.32
+CC(=O)O[C@H]1C[C@@H](C(=O)NC(C)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL196419,7.57
+CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL263576,6.33
+CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL196096,6.68
+CN(C(=O)[C@H]1CCc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL200589,8.8
+CN(C(=O)[C@@H]1CCc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL381198,7.52
+CC(=O)Nc1ccc2c(c1)CCC(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL199215,7.77
+CN(C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL371685,8.77
+COC(=O)Nc1ccc2c(c1)CCC(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL197293,7.51
+CN(C(=O)C1CCc2cc(S(N)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL197123,8.48
+CNS(=O)(=O)c1ccc2c(c1)CCC(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL199111,7.73
+CCCS(=O)(=O)Nc1ccc2c(c1)CC[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL196967,8.8
+CCCS(=O)(=O)Nc1ccc2c(c1)CC[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL436101,7.85
+CN(C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL200441,8.35
+CN(C(=O)[C@@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL200442,7.0
+COC(=O)NCc1ccc2c(c1)CC[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL197070,8.59
+COC(=O)NCc1ccc2c(c1)CC[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL196813,6.89
+CN(C(=O)[C@H]1Cc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL198920,9.1
+CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL380991,8.62
+CC(=O)Nc1ccc2c(c1)CC(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL382497,7.28
+COC(=O)Nc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL198487,7.83
+COC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL197126,8.24
+CN(C(=O)[C@H]1Cc2cc(NS(C)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL434933,8.89
+CN(C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL380990,8.92
+CN(C(=O)[C@H]1Cc2cccc(NS(C)(=O)=O)c2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL371916,8.41
+CN(C(=O)[C@@H]1Cc2cccc(NS(C)(=O)=O)c2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL200865,8.89
+CNS(=O)(=O)c1ccc2c(c1)CC(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL383586,7.61
+CCCS(=O)(=O)NCc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL371467,8.44
+CCCS(=O)(=O)NCc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2,CHEMBL371018,8.48
+CN(C(=O)c1cc2ccccc2o1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL200478,6.31
+Cn1c(N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)nc2ccccc21,CHEMBL199434,7.4
+c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nccs3)CC2)cc1,CHEMBL436323,5.6
+c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1,CHEMBL202238,6.3
+O=S(=O)(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199518,6.46
+CS(=O)(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL200700,5.7
+COc1cccc(NC(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,CHEMBL200098,6.82
+COc1ccccc1NC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199378,6.11
+O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL201453,6.83
+O=C(Nc1ccccc1F)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL371266,6.5
+CN1CCN(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)CC1,CHEMBL426470,6.07
+CCNC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL198238,6.62
+NC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL199294,6.48
+CN(C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1)c1ccccc1,CHEMBL199433,6.4
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2C(=O)c2ccccc2)CC1,CHEMBL199545,5.93
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccn2)CC1,CHEMBL197917,7.34
+COc1cccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)c1,CHEMBL199289,5.69
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(F)cc2)CC1,CHEMBL199684,5.67
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(F)c2)CC1,CHEMBL381674,5.73
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2F)CC1,CHEMBL199871,6.94
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL382326,6.9
+O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL203251,10.12
+O=C(/C=C/C(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201219,8.14
+O=C(CCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL201220,8.12
+O=C(CCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL372598,8.42
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+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1,CHEMBL199827,9.52
+CN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL199931,9.96
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+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3,CHEMBL193039,8.92
+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL383320,9.54
+O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL381750,9.21
+C#CCN1CC[C@]23CCCCC2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCCC2[C@@H](C4)N(CC#C)CC5)cc13,CHEMBL372823,8.0
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+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL49143,8.74
+Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL199832,9.82
+CN(C(=O)CNc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201884,9.77
+CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,CHEMBL202267,8.82
+CN(C(=O)CNc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL369993,8.24
+CN(C(=O)CNc1ccccc1CNS(C)(=O)=O)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201283,9.11
+CN(C(=O)CNc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL204650,8.41
+CN(C(=O)CNc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL441124,7.8
+CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(C#N)cc1,CHEMBL203306,9.0
+CC(=O)N(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1,CHEMBL202591,8.42
+CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1,CHEMBL382932,9.49
+CN(C(=O)CNc1ccccc1C#N)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201285,9.41
+CN(C(=O)CNc1cccc(C#N)c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL382449,9.3
+CN(C(=O)CNc1ccc(C#N)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL435132,9.18
+CN(C(=O)CNc1ccc([N+](=O)[O-])cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201572,9.68
+CN(C(=O)CNc1ccc(Cl)c(Cl)c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201971,9.96
+CN(C(=O)CNc1ccc(C(F)(F)F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL201905,9.41
+CCCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL383094,7.24
+CCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202327,6.82
+CCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202200,6.24
+CCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,CHEMBL202150,6.21
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCC,CHEMBL202139,6.44
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CC,CHEMBL202462,6.57
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1C,CHEMBL202461,6.66
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCCc1ccccc1,CHEMBL201661,7.13
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1,CHEMBL201296,6.44
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1,CHEMBL201295,6.16
+C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL383044,6.59
+C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201434,6.1
+C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL203150,6.04
+C[C@H]1CN(CCc2ccccc2)[C@H](c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201480,6.54
+C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1,CHEMBL201845,6.7
+CC(=O)NCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL383491,6.21
+C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1,CHEMBL201530,6.29
+CCCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL202352,6.7
+CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL382919,6.96
+CC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL371970,6.15
+C[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,CHEMBL203307,7.0
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.71
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccn(S(C)(=O)=O)c3)C[C@]21C,CHEMBL206044,6.08
+COC(=O)c1coc([C@@H]2C[C@]3(C)[C@H]4C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]4(C)CC[C@H]3C(=O)O2)n1,CHEMBL377182,5.07
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccn(S(=O)(=O)c4ccc(OC)cc4)c3)C[C@]21C,CHEMBL378314,5.79
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccn(S(=O)(=O)c4ccccc4)c3)C[C@]21C,CHEMBL210775,6.39
+Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21,CHEMBL212525,5.37
+c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2,CHEMBL379297,5.56
+c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL378633,5.41
+c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1,CHEMBL377402,6.15
+Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12,CHEMBL208862,5.59
+Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12,CHEMBL427395,5.93
+CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21,CHEMBL384681,5.72
+Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1,CHEMBL211722,5.72
+Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,CHEMBL211846,6.74
+Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1,CHEMBL378458,6.09
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1,CHEMBL212575,6.17
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1,CHEMBL212574,6.48
+Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1,CHEMBL438965,6.12
+Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL210770,6.48
+Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1,CHEMBL211723,6.0
+CC(C)(C)c1cccc(-c2nncn2-c2cccc(O)c2)c1,CHEMBL377340,5.82
+O=C(/C=C/c1ccccc1Cl)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL611402,8.62
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610883,8.82
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(C)CC[C@]314,CHEMBL607069,8.19
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(C)CC[C@]314,CHEMBL607127,8.0
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(C)CC[C@]314,CHEMBL607016,8.6
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(C)CC[C@]314,CHEMBL607017,8.64
+Cc1ccc(/C=C/C(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607018,8.82
+CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5,CHEMBL2113666,9.27
+Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL607125,9.64
+Cc1ccc(CCC(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,CHEMBL607126,9.24
+C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL58646,10.22
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C,CHEMBL214104,8.89
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,CHEMBL60869,9.33
+C[C@H]1C2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215594,7.96
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL212434,8.57
+C[C@@H]1[C@@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL378355,8.07
+C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL210005,9.46
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL377789,8.74
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL1162933,7.59
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL215760,7.57
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213291,8.52
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL209550,8.77
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL213880,7.44
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293103,6.57
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL373984,9.55
+COC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2C3(C)C[C@@H](c4ccoc4)OC[C@H]3C(=O)C[C@]21C,CHEMBL385591,6.11
+CCC(=O)N(CC)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL384403,6.42
+CCN(C(C)=O)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL214144,6.62
+CCC(=O)N(C)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL386665,8.16
+COC(=O)[C@@H]1C[C@@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL213074,7.78
+CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL215301,6.93
+COC(=O)[C@@H]1C[C@@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL213399,6.48
+COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL386883,8.64
+COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL212714,6.65
+CCCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL214491,6.18
+CCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL385846,6.19
+COC(=O)[C@@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL378767,6.37
+CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@H]3CO[C@H](c4ccoc4)CC3(C)[C@H]2C1=O,CHEMBL215938,6.0
+CNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL215319,5.86
+CCC(=O)N(CC)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL215389,7.42
+CCN(C(C)=O)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL424902,7.56
+CCC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL212648,8.8
+CCC(=O)N[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL212022,6.43
+COC(=O)[C@@H]1C[C@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL212483,6.77
+COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL212435,7.75
+CCN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL385548,7.19
+CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL215560,6.48
+COC(=O)[C@@H]1C[C@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL212647,8.49
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C,CHEMBL435108,6.85
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387016,6.89
+O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217658,8.82
+O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL448428,9.0
+O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL217102,8.28
+O=C1CC[C@@]2(NCC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL383896,8.43
+O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL216558,8.43
+O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217479,8.53
+O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL217710,8.31
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL387101,7.88
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL277530,8.59
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL215926,7.38
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL411089,7.47
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL384118,7.59
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL263482,8.12
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216365,7.67
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL217790,7.6
+O=C1CC[C@@]2(NC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL385482,9.04
+C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376413,7.08
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373707,7.96
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,CHEMBL373925,6.34
+C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL412996,6.92
+C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218520,7.905
+CC(=O)N1C[C@H]2C[C@@](C)(c3cccc(O)c3)[C@@H](C)CN2C[C@@H]1c1ccccc1,CHEMBL218706,6.21
+C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219319,7.74
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL426523,8.05
+CC(C)[C@H]1CN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2CN1,CHEMBL219097,7.24
+C[C@H]1CN2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375119,7.8
+C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218980,6.89
+C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL435746,7.07
+C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218506,6.37
+C[C@H]1CN2CCN(C(=O)Nc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219317,6.38
+C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374678,6.27
+C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219495,6.955
+C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL376690,7.365
+C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL220248,5.43
+C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218135,6.27
+C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218404,6.73
+C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375165,6.02
+COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,CHEMBL219044,6.85
+C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375803,6.57
+C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218909,7.25
+C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218242,7.12
+C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218705,6.55
+C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373641,7.08
+C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219318,7.8
+Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1,CHEMBL217999,6.52
+Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,CHEMBL217998,6.89
+Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,CHEMBL219599,7.52
+C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219554,7.42
+C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL373446,7.43
+C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL217950,6.92
+C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374455,6.37
+C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219099,6.4
+C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219466,6.41
+C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL375633,6.64
+C[C@H]1CN2CCN(Cc3ccc4ccccc4c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL218136,6.01
+C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL384895,7.48
+C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219154,7.62
+C[C@H]1[C@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL216662,6.28
+C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL219012,7.16
+C[C@H]1CN2CCCC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219011,6.28
+C[C@H]1[C@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL262420,7.8
+C[C@H]1[C@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385280,7.46
+C[C@H]1[C@@H]2CC[C@@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL438821,7.19
+C[C@H]1[C@@H]2CC[C@H](c3ccccc3)CN2CC[C@@]1(C)c1cccc(O)c1,CHEMBL385392,7.0
+C[C@H]1CN2C[C@@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL374559,6.36
+C[C@H]1CN2C[C@@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL219079,5.85
+C[C@H]1CN2C[C@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1,CHEMBL387248,6.37
+COCCOCC(=O)OC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL217971,6.21
+CC(=O)O[C@H]1C[C@@H](COC(=O)C2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL386185,6.66
+CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL425016,7.36
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CCc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222814,6.79
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CC2CCCCC2)CCCC4)C[C@@]3(O)C1C5,CHEMBL222579,6.58
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5,CHEMBL221421,6.54
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(C)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222704,6.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)C1C5,CHEMBL374228,7.05
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222762,8.05
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL385316,7.6
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222647,8.2
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,CHEMBL222597,8.6
+CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)C(C5)[C@]4(O)C3)CCCC2,CHEMBL222486,8.13
+CCn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL373910,7.61
+Cn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL221419,7.73
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL2113275,9.89
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224014,9.92
+O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL224671,9.47
+COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL389072,6.41
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CCC1)C2,CHEMBL376355,9.85
+Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL226217,10.15
+CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226167,8.66
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375504,9.0
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226166,9.19
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL226114,7.85
+COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL375503,7.05
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL226113,8.85
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL394624,9.52
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242048,10.29
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242047,8.37
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,CHEMBL242046,9.09
+O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL263096,9.85
+O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL397035,10.34
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL427862,9.85
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,CHEMBL241824,8.47
+CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL241823,7.44
+CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,CHEMBL245049,8.48
+CN(C(=O)CC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230288,9.57
+CN(C(=O)CCC(=O)Nc1cccnc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230711,6.55
+CN(C(=O)CC(=O)Nc1cccnc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL425836,8.89
+CN(C(=O)CCC(=O)Nc1nccs1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL397475,7.64
+CN(C(=O)CC(=O)Nc1nccs1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230607,9.28
+CN(C(=O)NCC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230502,8.19
+CN(C(=O)CCC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL397474,8.22
+CN(C(=O)CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230394,7.02
+CN(C(=O)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL230393,7.54
+CN(C(=O)CC(=O)NCc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL395288,7.82
+CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230249,5.38
+c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL229018,4.87
+CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229017,5.83
+CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL229016,6.31
+COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228965,6.46
+COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL388122,5.54
+COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,CHEMBL228964,6.51
+OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL228913,6.91
+OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL228912,5.93
+OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL228911,6.2
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,CHEMBL389665,5.77
+O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL437742,5.09
+OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228858,5.93
+COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228857,6.28
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,CHEMBL228856,5.61
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL388314,5.94
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,CHEMBL228802,5.83
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CHEMBL228850,6.79
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,CHEMBL390498,5.71
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL228849,5.94
+CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228848,6.27
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL228795,5.37
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,CHEMBL390280,5.18
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,CHEMBL228794,5.87
+Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1,CHEMBL228793,5.57
+Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,CHEMBL390279,5.96
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1,CHEMBL228740,6.01
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1,CHEMBL374603,5.52
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1,CHEMBL374602,5.23
+OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL228690,6.44
+O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228738,5.36
+COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228736,5.17
+CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228687,5.99
+COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL228686,5.75
+OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1,CHEMBL397945,6.54
+OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1,CHEMBL231608,6.51
+CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL231607,6.47
+CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL413791,6.73
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230253,6.66
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL390882,7.44
+CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL230145,6.61
+CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,CHEMBL433814,5.85
+O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c34)[C@@H]3Oc4c(O)ccc6c4[C@@]34CCN(CC3CC3)[C@H](C6)[C@]4(O)C5)cc2cc1C=O,CHEMBL2113281,6.82
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@H]3C[C@@H](OC)O[C@H]3OC)C[C@]21C,CHEMBL226785,6.9
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@H]3C[C@@H](OC)O[C@@H]3OC)C[C@]21C,CHEMBL226784,7.6
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=C[C@@H](OC)O[C@H]3OC)C[C@]21C,CHEMBL434746,6.74
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=C[C@@H](OC)O[C@@H]3OC)C[C@]21C,CHEMBL226732,6.38
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4nc(C)no4)OC(=O)[C@H]3CC[C@]21C,CHEMBL226731,6.0
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=NCCO3)C[C@]21C,CHEMBL387772,6.52
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)OCC[C@]21C,CHEMBL226730,5.47
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@H](C(=O)O)CC[C@@]12C,CHEMBL226677,6.04
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@H]3CCOC3)C[C@]21C,CHEMBL427280,8.43
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3CCOC3)C[C@]21C,CHEMBL364058,7.85
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3CC(OC)OC3OC)C[C@]21C,CHEMBL2113278,7.4
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=CC(OC)OC3OC)C[C@]21C,CHEMBL387557,6.36
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@]21C,CHEMBL390935,8.53
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@]3(O)[C@H](O)[C@@H](OC)O[C@H]3OC)C[C@]21C,CHEMBL560302,6.41
+CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232286,6.73
+CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232285,6.84
+CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,CHEMBL232076,6.86
+OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232075,6.58
+OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL394222,6.49
+CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232074,6.48
+CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL231866,6.67
+CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL437177,6.76
+CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232478,6.91
+CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL232477,6.59
+CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21,CHEMBL233957,5.87
+NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,CHEMBL233535,6.18
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,CHEMBL233956,6.56
+NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,CHEMBL400036,6.11
+NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,CHEMBL233955,6.94
+NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,CHEMBL233750,6.13
+NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,CHEMBL233749,5.68
+Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,CHEMBL233748,5.98
+Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL400035,6.35
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,CHEMBL233536,6.55
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,CHEMBL398794,6.37
+Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233327,6.14
+NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233503,5.78
+CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL441914,7.52
+CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,CHEMBL233326,7.82
+OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393971,4.88
+Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL393356,5.59
+OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233323,5.47
+OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231874,5.02
+OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231664,5.74
+OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL231661,5.84
+OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL394695,6.41
+CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234773,5.04
+CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL234771,5.97
+CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL397761,5.34
+CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233721,5.13
+OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL398039,4.58
+OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233502,5.56
+N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL233501,4.21
+COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL401234,4.99
+COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL233494,5.44
+COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL233493,5.38
+CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393675,4.71
+CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL234543,4.94
+Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL393985,5.39
+Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL437380,5.94
+Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232273,6.09
+OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232067,5.58
+OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL392753,5.77
+OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232066,6.12
+OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL395838,5.7
+OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL232476,5.76
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL243195,7.7
+CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL428038,8.64
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL394573,8.05
+NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL242968,9.21
+O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,CHEMBL390912,8.72
+O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,CHEMBL242967,7.33
+Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,CHEMBL242757,8.18
+Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,CHEMBL390911,7.28
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL299220,9.74
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL2372052,7.55
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL409969,8.36
+C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,CHEMBL269068,6.17
+O=C1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL2113282,5.42
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL334898,7.84
+C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL397276,8.4
+C[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL414889,7.82
+C=C1[C@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL242226,9.19
+C=C1[C@@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL437949,7.74
+Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243301,6.63
+Oc1cccc([C@]23CCC[C@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL388873,6.74
+Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243300,6.61
+Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)N(CCc2ccccc2)CC3)c1,CHEMBL243092,6.16
+O=C1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL243091,6.82
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113294,7.63
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccc(C)cc5)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113314,8.85
+CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccccc5C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113313,9.28
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113312,8.0
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113311,8.18
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113310,7.17
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113309,7.58
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113308,8.76
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113307,8.73
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113306,8.51
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113305,8.79
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113304,8.74
+CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL2113303,8.28
+COc1ccc(/C=C/C(=O)NC[C@H]2C[C@@]34CC[C@@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)cc1,CHEMBL2113302,6.96
+COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5,CHEMBL2113301,7.35
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315,CHEMBL2113300,7.53
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113299,7.24
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113298,6.81
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(C)cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113297,6.8
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4Cl)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113296,7.65
+COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4C)[C@@H](C2)N(C)CC[C@]315,CHEMBL2113295,7.68
+CC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232383,6.0
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2-c2ccc3ccccc3c2C)CC1,CHEMBL234389,5.51
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1,CHEMBL393965,7.6
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1,CHEMBL391623,6.97
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(OC)cc2)CC1,CHEMBL231781,6.7
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(OC)c2)CC1,CHEMBL233570,6.44
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1,CHEMBL391852,7.21
+O=C(OCc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL233368,6.92
+CC(C)(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392266,7.08
+O=C(OC1CCCCC1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL233143,6.92
+CC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL400436,6.7
+CCCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232937,6.73
+CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232740,6.77
+COC(=O)c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL232548,7.06
+CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1,CHEMBL437397,6.48
+COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1,CHEMBL232137,7.19
+Cc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,CHEMBL392478,6.55
+O=C(c1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL232583,6.91
+COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392477,6.21
+CC(C)C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,CHEMBL392476,6.21
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL401245,7.59
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL235239,6.64
+CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL392269,6.77
+CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL238017,7.19
+NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1,CHEMBL238316,8.68
+NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1,CHEMBL236170,7.34
+NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1,CHEMBL236169,7.62
+NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1,CHEMBL236168,7.63
+CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238283,5.55
+N=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,CHEMBL238280,5.94
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCN2CCOCC2)C3)nc1,CHEMBL238364,5.49
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1,CHEMBL238363,6.44
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1,CHEMBL238157,6.15
+CCC(CC)CN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL238156,7.21
+CC(C)(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396637,7.14
+CC(C)CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237934,6.5
+CC(C)CCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL396636,6.97
+CC(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237718,7.11
+CCCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237716,6.93
+CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,CHEMBL237506,6.98
+NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1,CHEMBL237295,6.73
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)CC3)nc1,CHEMBL237293,5.54
+NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCc2ccccc2)C3)nc1,CHEMBL237073,6.44
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)CC3)nc1,CHEMBL237072,5.44
+NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1,CHEMBL398089,5.61
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCCc2ccccc2)C3)nc1,CHEMBL237071,6.26
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)nc1,CHEMBL397148,5.91
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1,CHEMBL235155,5.67
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CHEMBL203356,6.71
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21,CHEMBL393980,6.03
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21,CHEMBL241087,6.77
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21,CHEMBL393807,6.55
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2,CHEMBL241086,7.02
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2,CHEMBL241085,7.18
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2,CHEMBL393781,6.84
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2,CHEMBL240005,7.86
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2,CHEMBL239824,7.47
+O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2,CHEMBL392798,6.84
+CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21,CHEMBL239822,6.27
+O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2,CHEMBL442090,6.69
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL391703,5.7
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2,CHEMBL239821,5.84
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2,CHEMBL239820,6.07
+O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2,CHEMBL239819,5.33
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL241272,5.23
+Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL439212,5.8
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2,CHEMBL241080,5.45
+Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241079,6.24
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2,CHEMBL428563,5.96
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2,CHEMBL392969,5.93
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2,CHEMBL241067,6.11
+O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2,CHEMBL240870,5.78
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL240657,6.86
+O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2,CHEMBL391083,7.59
+CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL428033,7.59
+CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL391082,7.89
+CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL241112,7.65
+CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL240216,7.22
+CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL392893,7.3
+O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL240215,7.28
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2,CHEMBL401451,7.79
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2,CHEMBL240033,7.58
+O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2,CHEMBL240896,6.6
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2,CHEMBL240895,6.49
+O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2,CHEMBL240001,6.29
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL246739,5.89
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,CHEMBL247758,5.62
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(N)=O,CHEMBL246956,6.34
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL247368,6.68
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)O,CHEMBL391580,5.99
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,7.13
+COc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL246002,7.1
+COc1ccc2c(c1OC)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL400157,5.84
+COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL246003,6.24
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(I)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL427706,6.8
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Br)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401094,6.6
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Cl)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248840,6.44
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(F)cc4c2C[C@@]3(O)[C@H]1C5,CHEMBL248839,6.51
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL428055,8.72
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251161,8.62
+C[C@H]1C2Cc3ccc(C(=O)NCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL251160,7.74
+C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL430397,9.74
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399344,9.7
+C[C@H]1C2Cc3ccc(C(=O)NCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250388,7.72
+Cc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL250387,8.48
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)c(Cl)c5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250186,8.96
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)cc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL438871,8.49
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,CHEMBL249985,8.82
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4Br)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL398294,7.72
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(Br)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL250993,10.2
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(Br)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL249567,9.42
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4-c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL399465,8.62
+C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(-c5ccccc5)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL401278,8.66
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL3085528,10.15
+COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1,CHEMBL253597,5.66
+O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2,CHEMBL412098,7.05
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,CHEMBL272592,5.44
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,CHEMBL272640,5.42
+CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,CHEMBL407846,5.4
+CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,CHEMBL271590,5.42
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,CHEMBL259681,5.96
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,CHEMBL259473,6.72
+CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,CHEMBL272805,7.01
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,CHEMBL412290,5.72
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,CHEMBL270756,6.91
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,CHEMBL409621,6.03
+CN1Cc2cc(F)ccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL407275,5.94
+CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL272600,5.44
+CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,CHEMBL272390,6.75
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1,CHEMBL272601,6.99
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1,CHEMBL270133,6.39
+CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1,CHEMBL272852,6.25
+O=C(Cc1cccs1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL429588,8.56
+O=C(Cc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL443326,8.92
+COc1ccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL270918,9.38
+O=C(Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL411927,9.37
+COc1cccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL273105,9.35
+O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL412050,10.05
+O=C(/C=C/Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL438413,9.04
+O=C(O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272021,6.82
+CN(C)c1cccc(C(=O)NC2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL411916,8.77
+CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL271755,9.1
+COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL410526,9.62
+Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL272051,9.4
+COc1cc(OC)cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,CHEMBL271811,9.54
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+C=CCN1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL407728,5.96
+C=CCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL258791,5.77
+CCCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,CHEMBL409266,5.62
+Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL2364732,8.08
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL401615,6.24
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL437983,6.7
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL256010,6.29
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270401,6.14
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270187,6.62
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL404303,7.08
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL402964,6.8
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403190,6.6
+C[C@@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL255354,6.04
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O,CHEMBL403633,7.17
+C[C@H]1CN(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL271662,6.34
+C[C@H]1CN(CCC(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270833,6.64
+C[C@H]1CN(CCC(=O)N(CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403191,5.92
+C[C@H]1CN(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL255555,6.26
+C[C@H]1CN(CCC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL404583,5.85
+C[C@H]1CN(CCC(=O)N(CC2CC2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL258294,5.66
+CC(C)CN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,CHEMBL258115,5.66
+C[C@H]1CN(CCC(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL403325,6.16
+C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL441899,5.96
+C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL270190,7.0
+COC(=O)[C@@H]1C[C@H](SC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL262346,5.85
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260121,7.15
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc3ccccc23)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL408900,6.39
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL265195,6.24
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260809,6.1
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2[N+](=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL408775,6.05
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+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL260485,6.26
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL429685,6.64
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL259299,6.13
+COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL261024,7.15
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL407155,7.05
+CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL261048,6.23
+COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL408422,5.51
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=C[C@H]3[C@H]1C5,CHEMBL410907,7.34
+CO[C@H]1CC[C@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL409743,4.94
+COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL412301,5.27
+CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL358043,7.64
+CN1CC[C@]23c4c5cccc4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5,CHEMBL258669,5.31
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL257140,9.72
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL257139,9.27
+CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL402135,9.66
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](CN1CCCC1)c1ccccc1,CHEMBL403273,9.15
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL429677,8.85
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,CHEMBL402189,9.26
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL254754,8.42
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,CHEMBL437784,8.89
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL257355,8.96
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,CHEMBL402820,9.51
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC,CHEMBL401594,9.17
+COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254960,8.8
+COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,CHEMBL254959,9.3
+COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC,CHEMBL258172,8.55
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CHEMBL411557,9.68
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL56585,10.0
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL493846,7.19
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2c1,CHEMBL495058,6.22
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+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1,CHEMBL523382,8.74
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494854,8.3
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1,CHEMBL494853,8.01
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL521854,8.8
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL522201,7.58
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL522143,7.22
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1,CHEMBL515864,7.71
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1,CHEMBL472937,8.27
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1,CHEMBL514769,7.11
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccccn1,CHEMBL514781,6.65
+C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)CSSC1(C)C)C(N)=O,CHEMBL525046,5.99
+COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473136,9.03
+NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL3084529,5.79
+NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466921,6.12
+OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL466847,6.96
+Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2,CHEMBL513136,6.88
+NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,CHEMBL512414,6.57
+Nc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL499868,8.28
+O=[N+]([O-])c1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL526362,7.55
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCCc2ccccc2)cc13,CHEMBL501447,8.05
+O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCc2ccccc2)cc13,CHEMBL524505,7.55
+OCCCOc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500123,8.07
+NC(=O)COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL497108,7.17
+COc1ccc(CC(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL521543,9.68
+O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3)c1ccc(-c2ccccc2)cc1,CHEMBL451320,7.74
+O=C(COc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL500419,10.32
+Cc1ccc(C(C)C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL500154,8.89
+O=C(Cc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL501739,9.32
+O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL503457,9.06
+Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL33986,9.833
+C[C@H]1[C@H]2Cc3ccc(C(=O)N(C)CCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL499884,7.96
+CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481512,7.64
+CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL518950,7.6
+CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL481366,8.04
+CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1,CHEMBL501331,8.0
+CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL519100,6.45
+CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480425,7.37
+CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL480426,7.14
+CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1,CHEMBL519925,7.82
+C=Cc1occc1[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL458234,8.15
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C,CHEMBL458235,7.58
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)O)C[C@]21C,CHEMBL458890,7.26
+COC[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL456695,6.3
+CCOC[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL458869,6.3
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](COC(C)=O)C[C@]21C,CHEMBL514597,6.26
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccs3)C[C@]21C,CHEMBL458870,7.427
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cnccn3)C[C@]21C,CHEMBL457341,7.08
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(O)c3ccco3)C[C@]21C,CHEMBL456055,7.7
+COC(=O)[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL456056,6.81
+CCOC(=O)[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL456057,6.71
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)OC(C)C)C[C@]21C,CHEMBL456923,6.96
+O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,CHEMBL506616,7.54
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL502411,8.42
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL506217,6.66
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(O)cc1,CHEMBL486388,6.85
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL510506,7.11
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1cccc(O)c1,CHEMBL509201,7.7
+COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1,CHEMBL507127,7.18
+COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1,CHEMBL506211,7.85
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL446754,7.55
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(F)cc1,CHEMBL501888,7.68
+C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL525580,5.89
+C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O,CHEMBL499595,8.28
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL522071,6.57
+COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL500122,7.3
+COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL526700,7.22
+COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL526686,6.74
+COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL499315,6.54
+COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL524522,7.05
+CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498116,7.15
+CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL498442,7.82
+C[C@H]1C2Cc3cc(N)c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495462,7.49
+C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1,CHEMBL522375,9.15
+C[C@H]1C2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL495461,6.96
+C[C@H]1C2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL494614,7.47
+C[C@H]1C2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL494613,6.24
+C[C@H]1C2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,CHEMBL509054,8.49
+C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL468182,7.32
+C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(-c6ccccc6)cc5)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL463518,6.85
+C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL511243,6.62
+C[C@H]1C2Cc3ccc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL468857,8.07
+C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL502583,6.25
+C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL469189,9.0
+C[C@H]1C2Cc3ccc4c(=O)nc[nH]c4c3[C@@]1(C)CCN2CC1CC1,CHEMBL512474,6.8
+C[C@H]1C2Cc3cc4[nH]cnc(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL469188,7.92
+C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL493621,9.13
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(O)cc32)cc1,CHEMBL494479,6.08
+COC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL494265,6.28
+C1=C(c2ccccc2)c2ccccc2OC12CCNCC2,CHEMBL492447,5.47
+FC(F)(F)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL492449,5.7
+C[C@H]1C2Cc3ccc4n[nH]nc4c3[C@@]1(C)CCN2CC1CC1,CHEMBL475108,9.64
+Cc1nc2ccc3c(c2[nH]1)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C,CHEMBL506290,9.29
+C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1,CHEMBL475107,9.04
+C[C@H]1C2Cc3cc4n[nH]nc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL515593,9.09
+C[C@H]1C2Cc3cc4[nH]c(=O)[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL515257,7.92
+Cc1nc2cc3c(cc2[nH]1)CC1[C@H](C)[C@]3(C)CCN1CC1CC1,CHEMBL473699,10.3
+C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL518712,10.2
+C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL170384,8.15
+CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL510201,6.82
+CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474091,6.3
+CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL475308,5.87
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514606,6.11
+CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL472676,6.27
+O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL472677,6.2
+O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL515901,5.73
+O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,CHEMBL515554,5.64
+C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL474708,5.9
+C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL514965,6.16
+CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475496,4.09
+CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475497,4.33
+COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516077,5.64
+O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL473884,5.76
+COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL516024,5.74
+NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL472867,6.07
+CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL473068,6.06
+CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL475096,6.3
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL518325,6.33
+O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL456225,6.61
+O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL510745,6.65
+CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL460636,6.49
+O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL517265,5.99
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C,CHEMBL499169,6.17
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL515829,6.78
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,CHEMBL457244,6.62
+O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL501088,6.57
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL457451,6.6
+O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464191,7.19
+O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,CHEMBL464192,6.55
+CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL517167,7.17
+CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL515142,7.27
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475707,7.4
+O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL472669,7.6
+O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL516389,7.54
+CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL514662,7.89
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL475310,8.1
+CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473700,8.0
+CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL473701,7.25
+O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,CHEMBL473904,7.82
+CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL471262,5.86
+CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL511649,7.25
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21,CHEMBL474283,6.18
+CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474485,7.32
+CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474687,7.41
+CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL514489,7.17
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL515091,7.31
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL514463,7.48
+CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473272,7.35
+C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL475094,6.68
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21,CHEMBL474092,7.35
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21,CHEMBL473278,6.76
+CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL473279,7.19
+CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C,CHEMBL473280,7.07
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL473898,6.77
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL474096,6.86
+CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,CHEMBL515575,7.09
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,CHEMBL471882,7.59
+CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21,CHEMBL511162,6.82
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O,CHEMBL516187,7.96
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O,CHEMBL511161,7.85
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O,CHEMBL471880,7.6
+CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O,CHEMBL472086,6.8
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OC(=O)Cc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL503017,9.59
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OC(=O)c3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL468871,8.96
+CC(=O)O[C@@]12CC[C@@H](NC(=O)/C=C/c3ccccc3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL472583,9.23
+C=CCO[C@@]12CC[C@@H](NC(=O)/C=C/c3ccccc3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL472410,9.92
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL509552,9.07
+COc1ccccc1/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL513598,9.47
+O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL511655,9.57
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL454018,9.44
+O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL448145,9.52
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473362,10.37
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL474755,8.37
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL471543,7.44
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL512526,7.28
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,6.54
+COc1cccc(C2(O)CCCCC2CN(C)C)c1,CHEMBL1237044,7.85
+CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1,CHEMBL443601,6.46
+NC(=O)c1ccc2c3c1O[C@H]1C4NC5C(C[C@@]6(O)[C@H]7Cc8ccc(C(N)=O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)C4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL506457,7.68
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL517567,8.68
+C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL516552,7.0
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1,CHEMBL297428,10.22
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,8.59
+CC(C)=CCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C,CHEMBL461227,8.25
+C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL257661,8.0
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2C,CHEMBL511884,7.72
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,CHEMBL3275494,8.7
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CCc1ccccc1,CHEMBL464230,9.26
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL517779,9.41
+C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL464250,7.34
+NC(=O)c1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL442719,7.52
+Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL468469,9.25
+NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511588,7.0
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL518083,8.68
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@@H]3O2,CHEMBL455906,6.25
+CN1C[C@@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3,CHEMBL509260,6.21
+Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1,CHEMBL515842,7.485
+CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc13,CHEMBL517866,5.0
+Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL455905,6.7
+CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c(O)cccc13,CHEMBL450850,6.04
+CN1C[C@@H]2Oc3c(O)cccc3[C@@]23CCC[C@@H]1C3,CHEMBL457389,5.32
+Oc1ccc2c(c1)[C@@]13CCN(CCc4ccccc4)[C@@H](CC[C@H]1O2)C3,CHEMBL515681,7.05
+CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5,CHEMBL140050,9.3
+C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)O,CHEMBL500766,5.99
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL476600,7.59
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL476603,7.32
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL515621,7.31
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL516263,6.23
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL472843,7.17
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL473253,6.83
+O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL513990,7.33
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL398707,8.55
+NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511795,7.33
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL469815,9.09
+CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,CHEMBL471049,7.72
+CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL471048,8.64
+Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511816,9.62
+NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511621,7.8
+NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3,CHEMBL470005,9.54
+C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL470617,8.2
+C[N+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL511461,6.68
+C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,CHEMBL511302,8.11
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3,CHEMBL511645,9.47
+NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,CHEMBL513762,9.34
+NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@H](O)C3,CHEMBL512150,8.05
+Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2,CHEMBL3084634,6.29
+COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL416647,5.5
+COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL551072,5.29
+COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c(n(C)c2ccccc12)C3,CHEMBL557252,5.42
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL554292,5.59
+CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL562139,5.92
+CN1CC[C@]23Cc4c(c5ccccc5n4C)C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL557937,5.95
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,CHEMBL562340,6.15
+Cn1c2c(c3ccccc31)C[C@@]13Cc4ccc(O)cc4[C@@]1(CCN(CC1CC1)C3)C2,CHEMBL558135,5.82
+CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551412,6.1
+NC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL550063,6.25
+CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,CHEMBL551413,5.8
+O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1,CHEMBL551613,6.05
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(C)c1,CHEMBL562478,6.41
+O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1,CHEMBL554617,7.83
+CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL560200,7.55
+Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL563988,8.78
+CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL551074,8.17
+O=C(C#Cc1ccccc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL575682,8.95
+O=C(C#Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL574397,8.56
+O=C1CC[C@@]2(NCC#Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL574175,8.54
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL575451,8.1
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL578422,7.86
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216251,7.27
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL577168,7.13
+FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL575994,6.445
+CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577786,5.21
+CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL583331,5.45
+CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL574640,6.24
+CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL573757,5.37
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577615,6.14
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL575926,5.26
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577359,5.76
+CCN(CC)C(=O)c1ccc(N(c2cccc(CO)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577394,5.18
+CCN(CC)C(=O)c1ccc(N(c2cccc(CN)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL577356,5.53
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL576740,5.34
+CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL572669,5.32
+CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567818,5.32
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL567604,6.13
+CC[C@]12CCN(C[C@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL566557,5.02
+CC[C@]12CCN(C[C@@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL567213,5.23
+CC[C@]12CCN(CCc3ccccc3)C[C@H]1Oc1ccc(O)cc12,CHEMBL568076,5.63
+CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL566527,5.96
+CC[C@@]12CCN(C[C@@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL568309,6.38
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL72180,7.06
+O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566346,9.54
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL565679,9.38
+COC(=O)C(C)CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566762,9.03
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,CHEMBL573918,7.74
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)OCc1ccccc1,CHEMBL575647,8.33
+CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL582930,9.21
+CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL584790,9.33
+CC(CCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL575031,8.66
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3[C@H]1C5,CHEMBL584791,9.89
+C=CCN1CC[C@]23c4c5ccc(OC(=O)C(C)CCCCCCC(C)C(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3C1C5,CHEMBL584792,8.47
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,CHEMBL578629,9.92
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,CHEMBL572525,8.89
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,CHEMBL583278,8.23
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1,CHEMBL583277,8.22
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1,CHEMBL583276,7.96
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583275,7.16
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL572524,6.84
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583274,8.24
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583067,7.68
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583066,8.6
+COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213,CHEMBL571862,5.835
+COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213,CHEMBL571610,5.3
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1,CHEMBL569316,5.69
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,CHEMBL569956,5.92
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL568803,6.34
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570000,6.58
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL584941,6.31
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL568818,6.92
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1,CHEMBL569006,5.87
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1,CHEMBL576267,6.01
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccc(C)cc3)CC2)cc1,CHEMBL569728,6.14
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1,CHEMBL568865,5.66
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569755,6.13
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1,CHEMBL585900,6.29
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CCCCC3)CC2)cc1,CHEMBL570233,6.14
+C=CCCN1CCC(N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1,CHEMBL570232,7.01
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1,CHEMBL571324,6.05
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1,CHEMBL569704,5.3
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1,CHEMBL570446,5.15
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1,CHEMBL570645,5.19
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1,CHEMBL569945,5.59
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccccc3)CC2)cc1,CHEMBL569084,5.44
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cnc[nH]3)CC2)cc1,CHEMBL584727,5.84
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1,CHEMBL569529,5.34
+CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3nccn3C)CC2)cc1,CHEMBL570448,5.34
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568876,9.1
+Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL576273,8.24
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568877,9.29
+COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568988,8.41
+Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL568813,7.8
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571998,9.47
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL571767,10.52
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL568757,10.33
+c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571560,8.55
+COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL571990,9.23
+c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL570225,8.82
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13,CHEMBL568989,8.28
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL570429,9.22
+O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570654,9.0
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13,CHEMBL568829,6.47
+O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL571561,8.8
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13,CHEMBL569724,6.55
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL569725,7.92
+O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572216,7.55
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc13,CHEMBL570449,7.4
+OCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568878,7.07
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc13,CHEMBL578173,6.42
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2c(cc13)OCN(Cc1ccccc1)C2,CHEMBL576065,6.51
+O/N=C\c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL585901,9.21
+NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568830,6.85
+CCCNCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL583265,6.46
+Oc1cc2c(cc1CNCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569215,8.31
+Oc1cc2c(cc1CNCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569313,7.43
+Oc1cc2c(cc1CNCCCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL569448,7.4
+CCN(CCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL568071,7.36
+CCN(CCCCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL566128,7.27
+CCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL584530,7.14
+Oc1cc2c(cc1C(O)CCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL567170,7.17
+Oc1cc2c(cc1C(O)CCCCCCCCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,CHEMBL568758,7.51
+CCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL571322,7.89
+CCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL570428,7.59
+OCCCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL572217,7.59
+O=C(CCCCC(=O)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL569009,7.52
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1,CHEMBL611929,9.335
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Br)cc1,CHEMBL611930,9.54
+COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@]1(OC)C[C@H]2c1cccc([N+](=O)[O-])c1,CHEMBL594787,7.66
+COc1ccc2c3c1O[C@H]1[C@]4(OC)C=C[C@@]5(C[C@@H]4c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315,CHEMBL606343,5.0
+COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@]1(OC)C[C@H]2c1ccc([N+](=O)[O-])cc1,CHEMBL604476,6.17
+COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL594828,5.52
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1,CHEMBL595245,6.36
+C=CCN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1,CHEMBL605931,6.46
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1,CHEMBL595472,7.02
+CCCC(C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1,CHEMBL603428,6.82
+CCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1,CHEMBL593583,7.1
+CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1,CHEMBL593824,7.35
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL605293,7.62
+CCN(C)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL592908,7.18
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC(F)(F)F)C2)cc1,CHEMBL595714,7.62
+CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(Cc3nccs3)C2)cc1,CHEMBL605735,6.79
+CC(C)(O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,CHEMBL595233,7.39
+CC[C@@]12CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592300,6.14
+CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592302,6.03
+CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL592301,5.47
+CN1CC[C@@]2(CCc3ccccc3)c3cccc(O)c3O[C@H]2C1,CHEMBL598977,5.54
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c(O)cccc12,CHEMBL599175,5.65
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c(O)cccc12,CHEMBL589260,5.0
+c1cc2c(cc1OCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1075629,8.21
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076572,9.0
+OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)CC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076573,9.77
+OC(CCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076574,7.92
+OC(CCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076575,8.01
+OC(CCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076576,8.48
+OC(CCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076577,8.41
+OC(CCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076578,8.85
+OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4c(c3)[C@@]35CCCC[C@H]3[C@@H](C4)N(CC3CCC3)CC5)cc2)cc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1076579,9.47
+c1cc2c(cc1OCC1CO1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081084,7.44
+CCCCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081250,8.08
+CCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1080925,9.7
+CCCCCCCCCCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081093,7.28
+OC(COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1081608,7.66
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1,CHEMBL1079079,5.83
+O=CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL1091995,6.44
+CCC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094237,6.92
+COC(=O)N1C[C@H]2[C@@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1096475,6.07
+COC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094880,8.22
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1096474,5.82
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL1096473,6.04
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1095521,7.15
+COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@H]2c1ccccn1,CHEMBL1163522,7.82
+CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C,CHEMBL350384,10.4
+CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccsc1,CHEMBL169703,9.77
+CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL485605,9.71
+O=C(Nc1ccccc1)[C@H]1O[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2016680,9.955
+O=C(Nc1ccccc1)[C@@H]1O[C@@]23CC[C@@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1165548,9.82
+CN(CCc1ccccc1)C(=O)[C@H]1C[C@@]23C=C[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1163923,9.55
+O=C(NC[C@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)CO1)c1ccccc1,CHEMBL1163924,9.87
+NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL1164183,7.41
+COc1ccc([C@H]2CN3C(=NC[C@@H]3C)N2CCCc2ccccc2)cc1,CHEMBL1164269,7.41
+Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O,CHEMBL1241328,5.74
+O=C(Nc1cccc(NC(=O)c2cccc(N3CCOCC3)c2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1,CHEMBL1257346,9.3
+NC(=O)c1cccc(OC2CCN(CC3CC3)CC2)c1,CHEMBL1256487,6.84
+NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1,CHEMBL1257457,7.12
+NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,CHEMBL1223951,7.4
+COC(=O)[C@@H]1CCC(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257853,7.29
+COC(=O)[C@@H]1C[C@@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257852,6.61
+COC(=O)[C@@H]1C[C@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257731,6.7
+COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257610,7.37
+COC(=O)[C@@H]1C[C@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257609,6.37
+COC(=O)[C@@H]1CC(C(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257489,7.61
+COC(=O)[C@@H]1C[C@@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257488,6.78
+COC(=O)[C@@H]1C[C@@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1257378,6.71
+FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1645202,6.43
+CC(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642737,6.3
+CC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642738,5.9
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCC2CCCCC2)cc1,CHEMBL1642739,6.5
+CCCCCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642740,6.0
+CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,CHEMBL1642741,6.6
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2=CCCCC2)cc1,CHEMBL1642742,6.5
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccs2)cc1,CHEMBL1642743,6.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCc2cccc(F)c2)cc1,CHEMBL1642744,6.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccc(F)c2)cc1,CHEMBL1642745,6.1
+CC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1,CHEMBL1642746,7.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)cc1,CHEMBL1642747,7.6
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccc(F)cc3C2)cc1,CHEMBL1642748,6.9
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2CCOCC2)cc1,CHEMBL1642749,6.6
+NC(=O)c1ccc2c(c1)CCCN2c1cccc(CNCCC2=CCCCC2)c1,CHEMBL1642751,5.9
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNC1Cc2ccccc2C1,CHEMBL1642753,6.8
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642754,6.7
+NC(=O)c1ccc2c(c1)CCCN2c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1,CHEMBL1642755,6.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(C(F)(F)F)c1,CHEMBL1642756,6.2
+NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1,CHEMBL1642757,6.7
+Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642758,7.7
+Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(C(N)=O)ccc21,CHEMBL1642759,6.7
+Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNCCC1=CCCCC1,CHEMBL1642760,6.2
+COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL1644775,7.38
+OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650845,7.41
+CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1,CHEMBL1650847,6.48
+CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1,CHEMBL1650841,6.41
+CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1,CHEMBL1650848,6.56
+O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1,CHEMBL1650851,6.62
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743605,8.85
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C)N(C)C,CHEMBL1743604,7.92
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672177,6.9
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C/c2ccccc2)CC3)c1,CHEMBL1672178,6.65
+Oc1cccc([C@]23CCC[C@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672179,6.91
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C/C=C\c2ccccc2)CC3)c1,CHEMBL1672180,6.44
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672181,6.41
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672182,7.14
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672183,6.49
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672184,6.68
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672185,6.82
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672186,6.32
+Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1,CHEMBL1672187,6.76
+Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1,CHEMBL1672188,6.49
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766022,9.52
+Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1,CHEMBL1766023,9.08
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766024,10.18
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766025,9.82
+FC(F)(F)CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766026,9.08
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766027,8.8
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766028,7.89
+c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766029,7.68
+c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,CHEMBL1766030,8.68
+COc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766031,8.32
+Oc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,CHEMBL1766032,8.46
+CCNC(=S)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766033,7.74
+c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)nc1,CHEMBL1766034,7.02
+c1c2c(cc3sc(=NN4CCNCC4)[nH]c13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,CHEMBL1766035,6.96
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766036,9.35
+CC(=O)N(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766037,8.16
+CCN(C(C)=O)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1766038,7.89
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766039,8.62
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,CHEMBL1766040,8.43
+CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766041,9.15
+CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766042,8.92
+CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766043,9.03
+CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766044,8.24
+CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,CHEMBL1766045,7.96
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765684,6.22
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765683,6.1
+CCOC(=O)C1=C(C(=O)OCC)C2OC1C=C2[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL1773747,6.92
+COC(=O)C1=C(C(=O)OC)C2OC1C=C2[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL1773748,7.22
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=CC4OC3c3ccccc34)C[C@]21C,CHEMBL1773749,6.1
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=CC4OC3C3C4C4OC3(C)c3c4c4ccccc4c(=O)c4ccccc34)C[C@]21C,CHEMBL1773751,6.54
+CCOC(=O)c1ccc([C@@H]2C[C@]3(C)[C@H]4C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]4(C)CC[C@H]3C(=O)O2)cc1C(=O)OCC,CHEMBL1773752,6.64
+COC(=O)c1ccc([C@@H]2C[C@]3(C)[C@H]4C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]4(C)CC[C@H]3C(=O)O2)cc1C(=O)OC,CHEMBL1773753,6.54
+c1c2c(cc3sc(NCCCCCCCCCCNc4nc5cc6c(cc5s4)C[C@@H]4[C@@H]5CCCC[C@]65CCN4CC4CC4)nc13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,CHEMBL1774952,9.57
+O=C(CCCCCCCCC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL1774951,9.43
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(O)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774950,9.55
+O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,CHEMBL1774949,10.14
+C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(OC)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL1774948,9.85
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13,CHEMBL1773091,9.64
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13,CHEMBL1774947,9.43
+CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13,CHEMBL1774946,9.7
+O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1,CHEMBL1783826,6.5
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1,CHEMBL1095519,9.51
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,CHEMBL1795711,9.64
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795712,10.1
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795713,8.05
+CN1CC[C@]23C[C@H]1CC[C@H]2Oc1c(O)cccc13,CHEMBL1808299,5.12
+Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1,CHEMBL1808300,6.77
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@H]1O2)C3,CHEMBL1808302,7.01
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@@H]1O2)C3,CHEMBL1808303,6.7
+Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1,CHEMBL1808304,6.44
+CN1C[C@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3,CHEMBL1814703,5.97
+Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@H]3O2,CHEMBL1814704,5.91
+Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3,CHEMBL1814705,7.29
+CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1,CHEMBL1818336,8.33
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1,CHEMBL1818337,8.46
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1,CHEMBL1818338,7.21
+CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1,CHEMBL1818339,8.12
+CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,CHEMBL1818340,8.0
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818341,8.783
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(F)(F)C2)cc1,CHEMBL1818342,7.6
+CC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818222,7.12
+O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCC(F)(F)C1,CHEMBL1818326,7.48
+C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1,CHEMBL1818327,7.85
+O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1,CHEMBL1818328,7.96
+COC[C@H](C)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818329,8.07
+COC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,CHEMBL1818330,8.66
+CN(C)CCNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818331,8.24
+CC1(CNCc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)COC1,CHEMBL1818332,8.59
+C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2CCN(C)CC2)cc1,CHEMBL1818333,7.89
+CC1(O)CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,CHEMBL1818233,9.3
+O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,CHEMBL1818234,8.74
+COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1,CHEMBL1818235,8.43
+O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)cc1)N1CCCC[C@H]1CO,CHEMBL1818236,8.96
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1,CHEMBL1818237,7.27
+O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)nc1)N1CCCC1,CHEMBL1818238,7.14
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1F,CHEMBL1818324,8.0
+O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)c(F)c1)N1CCCCC1,CHEMBL1818325,8.06
+CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1,CHEMBL1818223,6.8
+O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cn1)N1CCCC1,CHEMBL1818224,7.08
+CC(C)CNCc1ccc(-c2ncccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818225,7.18
+O=S(=O)(c1cccnc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,CHEMBL1818226,7.59
+CC(C)CNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818227,6.23
+CC(C)(C)CCNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818228,7.12
+CC(C)CNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818230,7.27
+O=S(=O)(c1ncccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,CHEMBL1818231,7.28
+CC(C)(C)CCNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,CHEMBL1818232,8.08
+CC(C)C[C@]1(c2cccc(O)c2)CCN(CC2CC2)C1,CHEMBL1818334,8.6
+O=S(=O)(c1ccccc1-c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1)N1CCCCC1,CHEMBL1818335,8.05
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1,CHEMBL1824509,9.82
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Br)c1,CHEMBL1824510,9.74
+Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL1824512,9.24
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Cl,CHEMBL1824514,7.7
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Br,CHEMBL1824513,8.55
+Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824515,7.01
+O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824516,8.05
+O=C(CCc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824511,8.78
+O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1824517,6.69
+CN1CCC(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)CC1,CHEMBL1824518,8.19
+OC12CC3CC(CC(C3)N1Cc1ccccc1)C2,CHEMBL1824777,6.18
+OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2,CHEMBL1824778,5.92
+CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1834409,8.25
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834410,8.8
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834411,8.38
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834412,8.05
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834413,8.01
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834414,8.0
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834415,7.34
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL1834416,7.45
+CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,CHEMBL942,6.01
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.3
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.58
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.18
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.34
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.21
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.46
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.0
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,4.98
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.6
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.61
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.74
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.35
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,5.55
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.21
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,4.84
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/N=C2\CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL1618305,7.47
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.58
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL1276308,5.09
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,5.9
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,6.0
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.2
+CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,CHEMBL163,5.26
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.56
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.19
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL70586,8.48
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,CHEMBL277863,9.3
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1,CHEMBL1921839,8.04
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1,CHEMBL1921840,8.83
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921841,9.21
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921842,9.14
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1,CHEMBL1921843,7.35
+NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921844,9.21
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921845,9.25
+NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccc(F)c3)cc2)c(F)c1,CHEMBL1921846,7.27
+Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921847,9.113
+Cc1cc(C)cc([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,CHEMBL1921848,7.85
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)C1c1ccccc1,CHEMBL1921849,8.85
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)[C@@H]1c1ccccc1,CHEMBL1921850,8.98
+CC1(C)CN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)[C@H]1c1ccccc1,CHEMBL1921851,7.57
+COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL1941030,8.36
+CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL1941031,8.6
+COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C,CHEMBL1941032,7.2
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3Br)C[C@]21C,CHEMBL1941033,7.74
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3cc(Br)oc3Br)C[C@]21C,CHEMBL1941034,7.4
+FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939698,6.04
+FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939699,6.38
+CN1C[C@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951699,5.42
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@@H]3O)c1,CHEMBL1951701,6.12
+CN1C[C@@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951700,5.08
+Oc1cccc([C@@]23CCC[C@@H](C2)N(CCc2ccccc2)C[C@H]3O)c1,CHEMBL1951702,6.22
+CN1C2CCC[C@@](c3cccc(O)c3)(C2)[C@@H]1CO,CHEMBL1951704,6.32
+CN1CC2(OCCO2)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,CHEMBL1951705,6.85
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](/C=C/c3ccoc3)C[C@]21C,CHEMBL2022017,5.95
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](/C=C\c3ccoc3)C[C@]21C,CHEMBL2022018,7.52
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3)C[C@]21C,CHEMBL2022019,7.15
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3OC)C[C@]21C,CHEMBL2022020,5.97
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC)c3)C[C@]21C,CHEMBL2022021,6.54
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3O)C[C@]21C,CHEMBL2022293,6.3
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(O)c3)C[C@]21C,CHEMBL2022294,6.96
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccc(O)cc3)C[C@]21C,CHEMBL2022295,5.07
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(C(N)=O)c3)C[C@]21C,CHEMBL2022296,7.4
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(C#N)c3)C[C@]21C,CHEMBL2022297,6.66
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(C(F)(F)F)c3)C[C@]21C,CHEMBL2022299,5.65
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccco3)C[C@]21C,CHEMBL2022300,7.1
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccoc3)C[C@]21C,CHEMBL2022301,6.82
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccsc3)C[C@]21C,CHEMBL2022302,7.51
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cc4ccccc4s3)C[C@]21C,CHEMBL2022304,5.04
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccco3)C[C@]21C,CHEMBL2022307,7.52
+C/C=C\C(=O)[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1,CHEMBL2022306,6.49
+CN1CC[C@]23c4c5ccc(NCc6ccc(O)cc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048787,6.25
+CN1CC[C@]23c4c5ccc(NCc6cccc(O)c6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048786,6.04
+CN1CC[C@]23c4c5ccc(NCc6ccccc6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL2048785,6.43
+COc1cccc(CNc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@]425)c1,CHEMBL2048783,6.3
+COc1ccccc1CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL2048782,6.66
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1457,6.59
+Oc1cccc(CNc2ccc3c(c2)C[C@@H]2[C@@H]4CCCC[C@]34CCN2CC2CC2)c1,CHEMBL2048781,9.0
+CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048780,8.39
+CN(Cc1cccc(O)c1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048779,7.64
+CN(Cc1ccc(Cl)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048778,7.57
+COc1ccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048777,8.07
+COc1cccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048776,7.6
+COc1ccccc1CN(C)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048775,7.72
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13,CHEMBL2048774,8.0
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,CHEMBL2048773,9.57
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048772,9.44
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL2048771,9.59
+Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048770,8.64
+Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048769,8.72
+Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048768,8.77
+O=[N+]([O-])c1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048767,8.96
+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC4)OCO2,CHEMBL2048766,9.28
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,CHEMBL2048765,8.82
+COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL2046467,8.89
+c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)OCO2,CHEMBL2048764,8.96
+Clc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048763,8.35
+COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,CHEMBL2048762,8.35
+COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,CHEMBL2048761,8.46
+COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL2048760,8.66
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13,CHEMBL48420,6.96
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL316446,5.69
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL2158990,5.81
+CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2178724,4.48
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,6.33
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,7.7
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C=C4[C@@H](C2)N(CC2CC2)CC[C@]431,CHEMBL2179663,8.22
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)CCc2ccccc2)[C@H]1C5,CHEMBL2179662,8.36
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)Cc2ccccc2)[C@H]1C5,CHEMBL2179661,7.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)c2ccccc2)[C@H]1C5,CHEMBL2179660,6.95
+O=C(CCc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179659,7.92
+O=C(Cc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179658,8.51
+O=C(O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2179657,6.93
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL2179656,8.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC/C=C/c2ccccc2)[C@H]1C5,CHEMBL2179655,8.81
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL2179654,7.31
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL2179653,7.55
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179652,8.74
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179651,8.48
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2179650,8.27
+CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179649,8.27
+CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180641,6.85
+CCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180640,7.96
+Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1,CHEMBL2180639,9.31
+Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1,CHEMBL2180638,8.23
+CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL2180637,7.9
+CCCN(CCc1ccccc1)CCc1cccc(O)c1,CHEMBL1188090,8.09
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncn1,CHEMBL2178341,8.92
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnnc1,CHEMBL2178340,8.8
+COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2178339,8.37
+COc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2178338,9.34
+N#Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,CHEMBL2177697,9.89
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,5.68
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,5.8
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.85
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.96
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.57
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.85
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.94
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,6.21
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,5.96
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.31
+CC1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3C1(C)CCN2CC1CC1,CHEMBL2208355,9.7
+COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1,CHEMBL2208354,9.35
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1,CHEMBL2208353,8.89
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1C,CHEMBL2208352,8.77
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc6c(c5)OCO6)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208351,9.14
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1OC,CHEMBL2208350,8.89
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5O)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208349,8.68
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccc(O)c5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208348,8.89
+C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2208347,9.44
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2203338,9.31
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208346,8.57
+CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,CHEMBL2208345,8.28
+CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208363,8.74
+CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208362,8.62
+CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208361,8.8
+CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208360,8.48
+COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,CHEMBL2208359,9.42
+COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,CHEMBL2208358,9.66
+CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1,CHEMBL289683,10.15
+COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,CHEMBL2208356,8.82
+CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2,CHEMBL2260849,6.38
+COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1cccc(N)c1)C2,CHEMBL2261249,4.8
+COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1ccccc1N)C2,CHEMBL2261250,5.0
+COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1ccc(N)cc1)C2,CHEMBL2261248,5.1
+O=C(Nc1cccc(NC(=O)c2cccc(N3CCCCC3)c2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1,CHEMBL2322511,9.3
+CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O,CHEMBL2372399,7.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322568,7.17
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc21,CHEMBL2322560,7.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc21,CHEMBL2322561,7.77
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322562,7.27
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322563,8.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322564,6.66
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CCc3ccccc3)cc21,CHEMBL2322565,5.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322566,6.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322567,6.96
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,CHEMBL2334774,6.62
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,CHEMBL2335120,6.69
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1,CHEMBL2334773,6.7
+C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1,CHEMBL2334772,6.72
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,CHEMBL2334775,6.74
+C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,CHEMBL2334776,6.76
+CC[C@@]12CCN(CC3CC3)[C@@H](C(=O)c3ccc(O)cc31)[C@H]2C,CHEMBL2338715,9.41
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338714,10.09
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338729,10.33
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338728,10.39
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338727,10.07
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338726,9.92
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338725,9.92
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338724,10.21
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338723,10.07
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338722,10.07
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338721,10.17
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338720,10.24
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338719,9.8
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338718,10.6
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338717,10.7
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338716,10.72
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338742,10.82
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338741,10.05
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338740,10.11
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338739,10.48
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338738,10.23
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338737,10.17
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338734,9.8
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338733,9.66
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338732,9.82
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338731,9.82
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338730,9.96
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338756,9.96
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338753,10.19
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338752,10.09
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338751,9.74
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338750,10.29
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338749,10.0
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338748,9.92
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338747,10.16
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338746,10.13
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338745,10.22
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338744,10.04
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338743,10.29
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347239,8.85
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)nc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347238,8.59
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccn5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347237,8.48
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccnc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347236,8.66
+C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2347235,8.74
+COC(=O)CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381587,7.44
+COC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381584,8.7
+COC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381593,7.41
+CCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381585,7.68
+COC(=O)[C@@H]1C[C@H](OC(=O)CCC(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381590,5.39
+COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2C(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381595,5.64
+COC(=O)CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2380325,6.24
+CCOC(=O)CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381588,6.36
+CCOC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381594,6.37
+COC(=O)CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL2381589,6.52
+COC(=O)[C@@H]1C[C@H](OC(=O)CCCC(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381591,6.58
+COC(=O)[C@@H]1C[C@H](OC(=O)CC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381586,6.83
+COC(=O)[C@@H]1C[C@H](OC(=O)CSC#N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL2381583,9.22
+O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1,CHEMBL2387193,6.17
+CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387188,6.72
+CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387189,6.8
+CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,CHEMBL2387187,6.83
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387196,7.08
+CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL2387198,7.15
+CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387191,7.36
+CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387197,7.36
+CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL2387194,7.38
+CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387195,7.41
+O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,CHEMBL2387199,7.42
+CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL2387192,7.53
+CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL2387200,7.56
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL1196093,7.47
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,CHEMBL2386904,6.27
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,CHEMBL2386903,5.72
+C=CCN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386902,7.1
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,CHEMBL2386901,7.8
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,CHEMBL2386900,5.61
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,CHEMBL2386899,6.08
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,CHEMBL2386898,6.14
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,CHEMBL2386897,6.17
+Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,CHEMBL2386896,6.14
+CN1CC[C@@]2(CCc3ccccc3F)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386895,5.65
+CN1CC[C@@]2(CCc3ccc(F)cc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386894,5.54
+CCCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386893,6.01
+CCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386892,5.72
+CCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL2386891,5.78
+CN1CC[C@@]2(C)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386824,5.38
+CN1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386823,7.15
+CN1CC[C@@]2(CCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386822,6.79
+CN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386821,6.62
+CN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386820,5.45
+CN1CC[C@@]2(Cc3ccccc3)c3cc(O)ccc3O[C@H]2C1,CHEMBL2386819,5.54
+CN(C(=O)Cc1ccccc1)[C@H]1C[C@]2(CCCO2)CC[C@@H]1N1CCCC1,CHEMBL2390967,8.19
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,CHEMBL2397019,9.48
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,CHEMBL2397018,9.89
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,CHEMBL2397017,9.59
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,CHEMBL2397016,9.57
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,CHEMBL2397015,9.92
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,CHEMBL2397022,9.48
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,CHEMBL2397021,9.8
+O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,CHEMBL2397020,9.44
+CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL58362,7.1
+CC[C@@H]1CN2CC[C@@]34OCCO[C@@]3(Nc3ccc(F)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL2396991,8.15
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409225,7.85
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409224,7.89
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409223,8.46
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2409222,8.62
+COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(Br)cn1,CHEMBL2413522,6.49
+CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413879,5.66
+CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413877,4.68
+CN1CC[C@]2(c3cccc(O)c3)C[C@H](O)C[C@@H]1C2,CHEMBL2418736,5.91
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2C)C1,CHEMBL2418729,6.52
+O=C1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418735,6.7
+CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1C[C@H](c1ccccc1)C2,CHEMBL2418731,6.87
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1,CHEMBL2418737,6.87
+C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,CHEMBL2418730,7.04
+Oc1cccc([C@]23CCN(CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1,CHEMBL2418734,7.09
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(CCc3ccccc3)[C@@H]1C2,CHEMBL2418572,7.27
+C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2,CHEMBL2418571,7.41
+CN1CC[C@]2(c3cccc(O)c3)C[C@H]3CCCC[C@@H]3[C@H]1C2,CHEMBL2418733,7.66
+Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@@H](C[C@H](c4ccccc4)C2)C3)c1,CHEMBL2418732,8.39
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.09
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,5.7
+c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432045,5.31
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,6.03
+CN(Cc1cccnc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432057,5.78
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086308,10.08
+CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086307,8.44
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3,CHEMBL3086306,8.05
+CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3086305,9.77
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3,CHEMBL3086303,8.72
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)CC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217271,9.04
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)C)C[C@]1(c1cccc(O)c1)C2,CHEMBL3216613,8.0
+C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@]1(c1cccc(O)c1)C2,CHEMBL3217273,7.86
+CCCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3215960,8.85
+CCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217051,8.09
+CN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,CHEMBL3217272,7.68
+C[C@@H]1CN(CCCc2ccccc2)[C@@H]2CCC[C@]1(c1cccc(O)c1)C2,CHEMBL3086466,8.11
+O=C(CNC(=O)c1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086756,9.85
+O=C(CCc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086755,9.77
+O=C(Cc1ccccn1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL3086754,9.72
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1,CHEMBL3104103,7.41
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C/C=C\Cc2ccccc2)CC1,CHEMBL3104102,7.27
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C/C=C/Cc2ccccc2)CC1,CHEMBL3104101,7.05
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1,CHEMBL3104100,7.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL3104099,6.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C/C=C/c2cccc3ccccc23)CC1,CHEMBL3104110,6.48
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1,CHEMBL3104109,7.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL3104108,6.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1,CHEMBL3104107,6.96
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL3104106,6.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc21,CHEMBL3104105,6.51
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc21,CHEMBL3104104,7.44
+N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O,CHEMBL2307889,6.02
+CCC[C@@H](C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220706,6.85
+CCCC(C)CN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,CHEMBL3220707,7.19
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21,CHEMBL3219614,7.8
+CC[C@@]1(c2cccc(C(N)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,CHEMBL3219615,7.22
+CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,CHEMBL3219616,7.38
+COC(=O)[C@@H]1C[C@H](O[C@@H]2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3219933,8.21
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+COC(=O)[C@@H]1C[C@H](O[C@@H]2CCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3219935,7.12
+COC(=O)[C@@H]1C[C@H](O[C@H]2CCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3219936,7.09
+CCO[C@@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219937,8.17
+CCO[C@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219938,5.91
+CCO[C@@H](CBr)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219939,5.28
+CCO[C@H](CBr)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219940,5.13
+COC(=O)[C@@H]1C[C@H](OC=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL370680,7.39
+CCOC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219941,6.77
+COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](C(=O)N4CCCCC4)C[C@]3(C)[C@H]2C1=O,CHEMBL3219943,7.23
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)N3CCCCC3)C[C@]21C,CHEMBL3219944,6.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)O)NC(=O)C2(Cc3ccccc3C2)NC1=O,CHEMBL3237720,6.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)C2(Cc3ccccc3C2)NC1=O,CHEMBL3237721,5.15
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)N[C@@H](CO)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=O,CHEMBL3237722,7.03
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=O,CHEMBL3237723,6.38
+CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262088,9.25
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262092,9.06
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262091,9.44
+CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,CHEMBL3262362,9.12
+CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3262361,9.02
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262093,8.42
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262090,8.36
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccncc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262377,9.41
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262363,9.8
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262372,8.55
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262367,10.0
+O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262542,6.29
+O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1,CHEMBL3262543,6.09
+CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262544,6.82
+CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21,CHEMBL3262545,6.74
+CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21,CHEMBL3262546,7.25
+CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21,CHEMBL3262547,7.82
+CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21,CHEMBL3262548,7.89
+CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL3262549,7.05
+CCC1C(=O)N(C2CCN(C(C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL3262550,5.38
+CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21,CHEMBL3262551,6.33
+CCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,CHEMBL3262552,5.86
+C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264439,6.8
+C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL3264440,7.6
+CCOC(=O)C(CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3264441,8.76
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5,CHEMBL3291216,10.1
+CC(C)(O)[C@H]1C[C@@]23CC[C@@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291214,9.7
+CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3291215,9.92
+O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1,CHEMBL3287466,7.76
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287467,7.07
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287468,6.06
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,CHEMBL3287469,6.23
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1,CHEMBL3287470,6.71
+C=CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330663,7.74
+COC(=O)[C@@H]1C[C@H](OC(=O)C=C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,CHEMBL3330664,6.41
+C=C(C)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330665,8.22
+C/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330666,7.6
+C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,CHEMBL3330667,8.0
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+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2nc4ccccc4cc2C[C@@]3(O)[C@H]1C5,CHEMBL3596369,6.5
+Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@@]4(O)[C@@H](C2)N(CCF)CC[C@]314,CHEMBL3596370,6.07
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+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc43)ccc21,CHEMBL3634258,7.82
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+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc21,CHEMBL3634250,8.08
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+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3634247,7.06
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+NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21,CHEMBL3665424,5.16
+N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,CHEMBL3665433,5.37
+O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,CHEMBL3665436,6.25
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+O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1,CHEMBL3665425,6.45
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+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691861,8.52
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691862,9.6
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691863,9.46
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691864,9.8
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691865,10.15
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691866,9.89
+CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3691867,9.4
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+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691869,9.02
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+CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691878,10.1
+CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)C(F)(F)F)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691879,9.43
+CO[C@]12CC[C@@]3(C[C@@H]1CNS(C)(=O)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691880,9.13
+COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691881,8.58
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+COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3639907,7.87
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+COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691884,7.82
+COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691885,9.32
+COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691886,9.49
+COC12CC[C@@]3(C[C@@H]1CNC(=O)CCc1nn[nH]n1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691887,8.94
+COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691888,10.1
+COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3691889,10.0
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(OC)cc41)[C@]3(O)C2,CHEMBL3654388,7.42
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(OC)cc41)[C@@H]3C2,CHEMBL3654389,8.41
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654390,6.335
+NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654391,9.24
+COc1ccc2c(c1)[C@@]13CCN(CC4CC4)C(C2)[C@@H]1Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654392,7.45
+NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654393,9.72
+O=C(O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654394,8.82
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1cc(C(=O)O)c(=O)[nH]c1C3,CHEMBL3654395,6.74
+O=C(O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654396,7.73
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1cc(C(=O)NCC(N)=O)c(=O)[nH]c1C3,CHEMBL3654397,6.33
+NC(=O)CNC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654398,8.82
+C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2)C(N)=O,CHEMBL3654399,8.98
+NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654400,9.07
+CC(C)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2)C(N)=O,CHEMBL3654401,8.96
+NC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2,CHEMBL3654402,9.01
+NC(=O)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@]3(O)C2)C(N)=O,CHEMBL3654403,8.59
+NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654406,9.51
+CC(C)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O,CHEMBL3654407,9.02
+NC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2,CHEMBL3654408,9.49
+NC(=O)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)C(Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O,CHEMBL3654409,9.07
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(C)C(Cc4ccc(OC)cc41)[C@]3(O)C2,CHEMBL3654410,5.51
+COc1ccc2c(c1)[C@]13CCN(C)C(C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654411,4.91
+CN1CC[C@]23Cc4[nH]c(=O)c(C(N)=O)cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3654412,7.6
+COC(=O)c1cc2c([nH]c1=O)C[C@]13CCN(Cc4ccccc4)C(Cc4ccc(OC)cc41)[C@]3(O)C2,CHEMBL3654413,6.22
+COc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C(C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3,CHEMBL3654414,5.8
+O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@@]1(CCCC(=O)O)CCN2CC1CC1,CHEMBL3688136,7.33
+O=C(O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@@H]2CC(=O)O,CHEMBL3688135,7.19
+CN(C)C(=O)CCC[C@@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)/C2=C\C(=O)O,CHEMBL3688137,7.37
+COc1ccc2c(c1)[C@@]1(CCO)CCN(CC3CC3)[C@H](C2)[C@@H]1CO,CHEMBL3688138,7.05
+COc1ccc2c(c1)[C@@]1(CC(N)=O)CCN(CC3CC3)[C@H](C2)[C@@H]1CO,CHEMBL3688139,7.1
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O,CHEMBL3672560,6.88
+O=C1NC(=O)[C@@]2(CC[C@@]3(O)C4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1,CHEMBL3672561,9.22
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC[C@@]1(CNC(=O)N1)C3,CHEMBL3672562,6.87
+O=C1NC[C@@]2(CC[C@@]3(O)C4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1,CHEMBL3672563,9.03
+COc1ccc2c(c1)[C@@]13CCN(CC4CC4)C(C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O,CHEMBL3672564,7.91
+O=C1NC(=O)[C@@]2(CC[C@H]3C4Cc5ccc(O)cc5[C@]3(CCN4CC3CC3)C2)N1,CHEMBL3672565,9.67
+CN1CC[C@]23C[C@]4(CC[C@@]2(O)C1Cc1ccc(O)cc13)NC(=O)NC4=O,CHEMBL3672567,6.81
+CCN1C(=O)NC(=O)[C@@]12CC[C@@]1(O)C3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3672570,9.33
+CN1C(=O)NC(=O)[C@@]12CC[C@@]1(O)C3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL3672571,9.52
+O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1,CHEMBL3704576,6.45
+O=C(O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704583,6.82
+O=C(O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704584,7.19
+O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704586,6.08
+NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704588,6.91
+O=C(O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704589,6.97
+O=C(O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704590,7.79
+O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704591,6.15
+O=C(O)CCN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704592,6.6
+O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704594,7.38
+O=C(O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1,CHEMBL3704598,6.09
+O=C(O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1,CHEMBL3704606,5.17
+CCOC(=N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704607,7.23
+NC(=O)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704608,7.47
+CON=C(N)Nc1nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704609,7.58
+COC(=O)/N=c1\n(CC(N)=O)c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,CHEMBL3704610,6.23
+O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1,CHEMBL3704612,6.58
+OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,CHEMBL3704613,6.61
+O=C(O)CO/N=C/c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,CHEMBL3704614,5.81
+c1ccc2c(c1)nc(-c1nn[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704616,6.25
+CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704620,7.36
+O=C(O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704623,6.53
+O=C(O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704625,6.21
+CS(=O)(=O)NCCN1CCC(Cc2nc3ccccc3n2C2CC3CCCC(C2)N3C2CC3CCCCC(C3)C2)C1,CHEMBL3704627,7.23
+CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,CHEMBL3704629,7.52
+c1ccc2c(c1)nc(C[C@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704631,7.5
+c1ccc2c(c1)nc(C[C@@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704632,7.3
+O=C(O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704634,6.35
+O=C(O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704635,6.77
+c1ccc2c(c1)nc(Cc1cnccn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704636,6.94
+Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)[nH]1,CHEMBL3704637,6.89
+c1ccc2c(c1)nc(-c1c[nH]cn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704644,7.05
+c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,CHEMBL3704645,7.29
+Cn1cc(Cl)c(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)n1,CHEMBL3704646,7.1
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13,CHEMBL3667199,6.85
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13,CHEMBL3667197,7.72
+CO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13,CHEMBL3667196,6.07
+CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667198,6.4
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13,CHEMBL3667190,9.15
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3C1C5,CHEMBL409938,6.64
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1,CHEMBL3667195,6.0
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13,CHEMBL3667193,6.74
+CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,CHEMBL3667191,6.07
+O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O,CHEMBL3647958,5.48
+O=C(O)CN1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1,CHEMBL3695678,8.6
+C[C@H](N)C(=O)N1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1,CHEMBL3695677,10.05
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1,CHEMBL3695668,8.2
+Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL3695676,9.68
+Oc1ccc(CN2CC[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1,CHEMBL3695675,9.01
+COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1CNC(=O)C3,CHEMBL3695666,8.23
+COc1ccc(CN2C[C@H]3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1,CHEMBL3695664,6.39
+COc1ccc(CN2C=C3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1,CHEMBL3695665,7.88
+NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695667,9.26
+NC(=O)CN1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1,CHEMBL3695674,9.59
+COc1ccc(CN2CC[C@]34CCN(CC5CC5)[C@H](Cc5ccc(OC)cc53)[C@@H]4C2)cc1,CHEMBL3695672,6.69
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1,CHEMBL3695670,9.74
+O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,CHEMBL3695671,8.39
+COc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL3695673,7.43
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1,CHEMBL3695669,8.9
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.44
+NC(=O)[C@H]1CSCSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,CHEMBL3758259,8.89
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCCO1)CC3,CHEMBL3759238,9.74
+Nc1nc2cc3c(cc2s1)CC1[C@@H]2CCCC[C@]32CCN1CC1CC1,CHEMBL3759660,10.31
+N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770284,5.6
+Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770024,6.89
+N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770643,7.46
+Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc32)c(C)cc1O,CHEMBL3770677,6.14
+Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770668,7.02
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCCC3)C21,CHEMBL3785955,7.66
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCC(O)C3)C21,CHEMBL3786545,7.51
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3787263,8.49
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C/C1=C/c1ccccc1,CHEMBL3785265,8.02
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL3785854,8.53
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1c([nH]c2ccccc12)C3,CHEMBL3787016,8.18
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1cc2ccccc2nc1C3,CHEMBL3787663,8.37
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C/C1=C\c1ccccc1,CHEMBL3786970,7.41
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)CC/C1=C\c1ccccc1,CHEMBL3786218,8.04
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)CC/C1=C/c1ccccc1,CHEMBL3786083,7.76
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1797689,9.19
+O=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL3786675,9.13
+O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL252172,7.55
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1,CHEMBL3759092,5.12
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cccnc12,CHEMBL3798175,6.64
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc2ncccc2c1,CHEMBL3799570,5.36
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ncccc12,CHEMBL3797616,5.81
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cnc2ccccc2c1,CHEMBL3800620,5.19
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cnccc12,CHEMBL3797702,5.54
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12,CHEMBL3797228,6.1
+C[N+]1(CC2c3ccc(O)cc3CCN2C(=O)C2CC(=O)c3ccc(Cl)cc32)CCCC1,CHEMBL3808514,6.64
+C[N+]1(CC2c3cc(F)ccc3CCN2C(=O)C2CC(=O)c3ccc(Cl)cc32)CCCC1,CHEMBL3809031,6.86
+CCCC[N+]1(CC2c3ccccc3CCN2C(=O)C2CC(=O)c3ccc(Cl)cc32)CCCC1,CHEMBL3808824,9.03
+C=CC[N+]1(CC2c3ccccc3CCN2C(=O)C2CC(=O)c3ccc(Cl)cc32)CCCC1,CHEMBL3809310,8.73
+O=C1CC(C(=O)N2CCc3ccccc3C2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21,CHEMBL3809782,8.45
+O=C1CC(C(=O)N2CCc3ccccc3C2CN2CCCC2)c2cc(Cl)ccc21,CHEMBL3808477,10.48
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O,CHEMBL3408737,7.52
+CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3809510,6.14
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3808415,7.48
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3808398,7.08
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3810104,7.66
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,CHEMBL3808523,7.33
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3810101,5.72
+CN(C)C[C@H]1CCc2cc(-c3ccccc3)ccc2[C@]1(O)c1cccc(O)c1,CHEMBL3809091,6.85
+CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3822956,7.4
+CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3824052,7.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C(C)C)c2ccc(Cc3ccccc3)cc21,CHEMBL3824042,7.12
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823231,7.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823787,7.25
+COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3823830,7.54
+COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3822963,7.47
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823958,7.41
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc21,CHEMBL3824309,8.37
+CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3823815,7.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(=O)O)c2ccc(Cc3ccccc3)cc21,CHEMBL3824013,6.55
+CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3823186,7.24
+CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3823891,7.19
+COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3824356,6.72
diff --git a/chembl_200/CHEMBL238.csv b/chembl_200/CHEMBL238.csv
new file mode 100644
index 0000000000000000000000000000000000000000..27c1b8f390db684ab7129bf5e8589f98a82272b5
--- /dev/null
+++ b/chembl_200/CHEMBL238.csv
@@ -0,0 +1,1239 @@
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(OC)cc1)CN23,CHEMBL612232,5.435
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294105,5.92
+COC(=O)C1C(c2ccc(O)c(O)c2)CC2CCC1N2C,CHEMBL132683,5.935
+NCCc1ccc(O)c(O)c1,CHEMBL59,5.19
+COC(=O)C1C(c2ccc(OC)c(OC)c2)CC2CCC1N2C,CHEMBL335423,5.81
+COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL67387,6.74
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL2079586,7.9
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL306208,8.96
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,6.71
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,7.86
+COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,CHEMBL827,7.7
+COC(=O)c1ccccc1-c1ccc2ccccc2c1,CHEMBL103936,5.39
+OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21,CHEMBL336100,7.64
+COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1,CHEMBL336940,8.54
+COc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132082,8.22
+COc1cccc2c1C(O)(c1ccc(Cl)cc1)N1CCN=C21,CHEMBL132954,7.99
+Clc1ccc(C2c3ccccc3C3=NCCN32)cc1,CHEMBL336613,7.64
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,7.536
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21,CHEMBL334577,8.7
+OC1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL340281,8.55
+OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21,CHEMBL133646,7.57
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21,CHEMBL337020,6.82
+OC1(c2ccc3ccccc3c2)c2ccccc2C2=NCCN21,CHEMBL132676,7.35
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21,CHEMBL130477,8.77
+OC1(c2ccc3c(c2)OCO3)c2ccccc2C2=NCCCN21,CHEMBL544370,8.59
+CN1C2CCC1C(C(=O)NCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL432727,7.74
+CN1C2CCC1C(C(=O)NCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL407803,7.66
+CN1C2CCC1C(C(=O)NCCCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL307314,8.17
+CN1C2CCC1C(C(=O)NCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,CHEMBL303266,7.19
+CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL417049,7.52
+Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL67024,6.96
+CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL443797,6.47
+c1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL421867,6.8
+Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL66112,7.0
+c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL63703,7.08
+c1ccc(CCCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67203,7.74
+c1ccc(CCCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL67078,7.15
+Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL417035,7.06
+CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1,CHEMBL69380,7.05
+CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL894,6.17
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,6.335
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,7.59
+Oc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL130668,7.06
+COc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CHEMBL133043,7.44
+OC1(c2ccccc2)c2ccccc2C2=NCCN21,CHEMBL133902,5.97
+OC1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21,CHEMBL132955,8.98
+CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL1175,6.444
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL341898,7.605
+CC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344513,6.66
+CC(C)N(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344110,6.095
+CC(C)(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL145940,6.005
+CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL146332,6.42
+Clc1ccc([C@@H]2C[C@@H](NCc3ccccc3)c3ccccc32)cc1Cl,CHEMBL145994,6.995
+CC(C)N(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL356981,6.73
+CCCN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL146615,6.38
+CN([C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)C(C)(C)C,CHEMBL148104,5.81
+CC(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL424496,6.1
+CCCN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL145810,5.96
+CCCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL344116,6.535
+CC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL359025,7.39
+CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(I)cc21,CHEMBL1202031,6.525
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,7.27
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,6.36
+COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,CHEMBL294733,8.05
+COC(=O)C1C(c2cccc(-c3ccsc3)c2)CC2CCC1N2C,CHEMBL303232,7.53
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL311347,9.177
+Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL121611,7.55
+O=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL122859,5.84
+CN(CCCc1ccccc1)CCCN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL123252,6.91
+O=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL420900,7.21
+O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL333667,7.27
+CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1,CHEMBL122452,6.49
+O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112594,7.29
+CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1,CHEMBL121027,7.52
+CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL121460,7.59
+O=C(Cc1ccc(F)cc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL123830,7.27
+O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1,CHEMBL124222,5.09
+O=C(CCc1ccc(Br)cc1)NCC=NCCOC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL2112595,6.29
+COC(=O)C1C2CCC(C[C@@H]1c1ccc(I)cc1)CN2C,CHEMBL348552,9.32
+COC(=O)C1C(c2ccc(/C=C\Br)cc2)CC2CCC1N2C,CHEMBL14305,8.51
+COC(=O)C1C(c2ccc(/C=C\I)cc2)CC2CCC1N2C,CHEMBL275212,7.66
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,9.16
+COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2,CHEMBL14257,8.25
+COC(=O)C1C(c2ccc(C=C(Br)Br)cc2)CC2CCC1N2C,CHEMBL14924,8.17
+COC(=O)C1C2CCC(CC1c1ccc(/C=C\Br)cc1)N2,CHEMBL14531,8.41
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,4.78
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL14144,8.28
+CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N,CHEMBL104673,5.69
+COc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL107077,5.58
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N,CHEMBL432394,6.94
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C\I)cc1)N2,CHEMBL174088,8.46
+COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,CHEMBL814,8.675
+CC(C)OC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)CN2C,CHEMBL345689,9.05
+C[C@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112915,8.49
+C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112916,9.17
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C/I)cc1)N2,CHEMBL173427,8.73
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2,CHEMBL353333,9.92
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.31
+c1ccc(CC(c2ccccc2)c2ccncc2)cc1,CHEMBL342055,6.79
+c1ccc(C(c2ccccc2)c2ccccn2)cc1,CHEMBL347772,6.05
+c1ccc(C(c2ccccc2)c2cccnc2)cc1,CHEMBL149246,6.09
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C([C@@H](O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL333280,5.38
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL120490,7.96
+Cc1ccc(C2OC(=O)OC3(c4ccc(C)cc4)CCN(C)CC23)cc1,CHEMBL120269,5.09
+Cc1ccc([C@H](O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,CHEMBL333476,4.97
+CN1CCC(O)(c2ccc(Cl)cc2Cl)C([C@@H](O)c2ccc(Cl)cc2Cl)C1,CHEMBL118794,5.36
+CN1CCC(O)(c2ccc(Cl)cc2Cl)C(C(=O)c2ccc(Cl)cc2Cl)C1,CHEMBL331334,5.44
+CN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1,CHEMBL120951,5.24
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL137020,8.79
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL538405,9.14
+Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL77867,8.96
+Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1,CHEMBL136057,9.0
+Fc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL35411,7.8
+Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL416409,9.15
+Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1,CHEMBL343534,8.89
+Fc1ccc(C(OCCC2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL136249,8.28
+Fc1ccc(C(OCCC2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL137718,9.35
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL136154,9.0
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL324269,7.3
+CNCC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL331799,7.6
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1,CHEMBL419385,8.22
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,CHEMBL432022,7.14
+COc1ccc2cc([C@H]3C4CCC(C4)[C@@H]3CN(C)C)ccc2c1,CHEMBL323678,7.19
+CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1,CHEMBL113136,7.19
+CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1,CHEMBL322067,8.14
+CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1,CHEMBL109517,7.42
+CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12,CHEMBL323447,6.37
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1,CHEMBL322348,7.22
+CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1,CHEMBL109571,7.74
+CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL111128,7.39
+CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1,CHEMBL326466,7.6
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN,CHEMBL542436,5.73
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(Br)cc1)C2,CHEMBL365649,8.3
+O=C(OCCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL184807,8.3
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(Br)cc1)C2,CHEMBL185608,8.3
+O=C(OCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL186119,8.3
+O=C(OCCF)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL186306,8.3
+Cc1ccc(Sc2ccccc2CN)c(N)c1,CHEMBL366170,5.28
+CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL192619,5.67
+Cc1ccc(Sc2ccccc2CNCCF)c(N)c1,CHEMBL192528,5.35
+CCCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL425010,5.45
+C=CCNCc1ccccc1Sc1ccc(C)cc1N,CHEMBL365812,5.54
+CN(C)Cc1ccccc1Oc1ccc(I)cc1N,CHEMBL186962,6.51
+CN(C)Cc1ccccc1Sc1ccccc1N,CHEMBL190700,6.55
+C=Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL190703,6.02
+CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-],CHEMBL2113055,6.01
+CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-],CHEMBL2113054,6.16
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,7.41
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,7.63
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,CHEMBL327055,7.73
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL325826,7.65
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL111928,6.64
+OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL326706,7.31
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,CHEMBL115710,6.18
+NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085021,7.59
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL115253,8.19
+Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL324518,8.09
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,CHEMBL112528,7.85
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085020,8.3
+CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12,CHEMBL196468,5.68
+CNCCCC1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O,CHEMBL198275,7.89
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOC(=O)C4C(c5ccc(Cl)c(Cl)c5)CC5CCC4N5C)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL372378,7.355
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCC4CCC(C(=O)NCCN5C6CCC5C(C(=O)OC)C(c5ccc(Cl)c(Cl)c5)C6)CC4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL216773,6.36
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,6.39
+CCCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL201960,7.885
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1,CHEMBL204288,6.84
+CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL205028,6.28
+C#CCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL2113217,5.64
+C=CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL202348,7.4
+C=CCC(C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL202410,7.04
+Cc1ccc(C(=O)C(CC(C)C)N2CCCC2)cc1,CHEMBL202409,7.86
+CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL201978,7.54
+CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL201977,5.82
+CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL377498,5.07
+CCCC(C(=O)c1ccc(-c2cccn2C)cc1)N1CCCC1,CHEMBL377510,5.41
+CCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1,CHEMBL369997,6.34
+CCCC(C(=O)c1ccc(-c2ccco2)cc1)N1CCCC1,CHEMBL201976,6.98
+CCCC(C(=O)c1ccc(O)c(O)c1)N1CCCC1,CHEMBL202846,7.08
+CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL203488,7.94
+CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1,CHEMBL204759,7.7
+CCCC(C(=O)c1cccc(C)c1)N1CCCC1,CHEMBL204254,7.29
+CCCC(C(=O)c1ccccc1C)N1CCCC1,CHEMBL203403,7.22
+CC#Cc1ccc(C(=O)C(CCC)N2CCCC2)cc1,CHEMBL204538,7.21
+CCCC(C(=O)c1ccc(NC(C)=O)cc1)N1CCCC1,CHEMBL379679,7.52
+CCCC(C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1,CHEMBL201666,6.44
+CCCC(C(=O)c1ccc(OC)cc1)N1CCCC1,CHEMBL381127,6.48
+CCCC(C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1,CHEMBL379446,6.58
+CCCC(C(=O)c1ccc(O)cc1)N1CCCC1,CHEMBL203563,6.9
+CCCC(C(=O)c1ccc(CO)cc1)N1CCCC1,CHEMBL203562,7.31
+CCCC(C(=O)c1ccc(C#N)cc1)N1CCCC1,CHEMBL202518,5.23
+CCCC(C(=O)c1cccc(I)c1)N1CCCC1,CHEMBL426304,6.96
+CCCC(C(=O)c1ccc(I)cc1)N1CCCC1,CHEMBL202479,7.09
+CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1,CHEMBL202420,7.29
+CCCC(C(=O)c1ccc(F)cc1)N1CCCC1,CHEMBL203640,7.09
+CCCC(C(=O)c1ccccc1)N1CCCC1,CHEMBL205082,7.47
+CCC[C@H](C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL380699,5.88
+CCC[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1,CHEMBL372312,7.74
+Fc1ccc(C(OCCC2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL206128,8.85
+Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL381256,9.3
+Fc1ccc(C(OCCC2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1,CHEMBL205005,8.96
+C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL383071,8.785
+C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL424682,8.66
+O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL205025,9.05
+O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL383682,9.1
+O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL383745,8.68
+O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL204060,8.74
+C[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL202644,8.26
+C[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL444540,9.05
+N[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL381842,8.045
+N[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL204814,7.845
+O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL383464,8.8
+O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL202860,8.765
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL380406,9.4
+O[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL204530,8.53
+O[C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL204586,8.85
+O[C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL382783,8.16
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.74
+C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL377785,7.39
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL215236,8.34
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL383873,8.53
+COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(C)cc1)C3,CHEMBL216015,7.88
+C=C1CN2C3CCC2C1C(c1ccc(I)cc1)C3,CHEMBL380383,8.07
+C=C1CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,CHEMBL378536,7.91
+C=C1CN2C3CCC2C1C(c1ccc(Br)cc1)C3,CHEMBL212452,7.38
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/I)c1)N2,CHEMBL216736,7.52
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/Br)c1)N2,CHEMBL385173,7.49
+Clc1ccc(C(Cc2ccccc2)C2CCCCN2)cc1,CHEMBL373773,6.31
+Clc1ccc(C(CC2CCCCC2)C2CCCCN2)cc1,CHEMBL219707,6.74
+CC(=O)C(c1ccccc1)C1CCCCN1,CHEMBL219540,6.43
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=N)N)cc(C(C)=O)c1,CHEMBL220766,7.51
+CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL384649,5.68
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1,CHEMBL383879,5.91
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(C(C)=O)c1,CHEMBL386493,6.03
+C#CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL220765,6.21
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1,CHEMBL220713,6.19
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(C(C)=O)c1,CHEMBL385607,5.58
+CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL376737,6.12
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(C(C)=O)c1,CHEMBL384199,6.22
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(C(C)=O)c1,CHEMBL218568,6.35
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL218262,6.53
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,CHEMBL386073,6.8
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1,CHEMBL220801,5.65
+C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221903,6.07
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1,CHEMBL220819,6.6
+CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,CHEMBL221067,6.12
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C)c1,CHEMBL218174,7.02
+CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(C(C)=O)c1,CHEMBL217987,6.92
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1,CHEMBL219048,6.66
+CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,CHEMBL218581,7.49
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL218082,8.46
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227179,7.74
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL2113279,6.28
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)N3C)cc1,CHEMBL376113,6.98
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL226933,7.28
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1,CHEMBL226984,7.85
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1,CHEMBL229436,6.85
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)N3C)cc1,CHEMBL436132,7.92
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Br)cc4)s2)N3C)cc1,CHEMBL375685,6.89
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1,CHEMBL229381,6.67
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)N3C)cc1,CHEMBL229699,7.21
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL388832,6.63
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)c(Cl)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388612,7.18
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL227233,8.07
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc([N+](=O)[O-])c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388760,8.11
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc([N+](=O)[O-])cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227232,8.21
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc(Br)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227231,7.41
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Br)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388759,7.46
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227180,7.55
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL390743,7.92
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2,CHEMBL391864,8.19
+C#Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394158,8.65
+C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,CHEMBL394157,8.0
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2,CHEMBL398370,8.65
+COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2,CHEMBL235569,7.94
+COC(=O)C1=C(c2ccc(-c3ccccc3)cc2)CCCCC1,CHEMBL232299,5.895
+COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL233088,6.08
+COC(=O)C1=C(c2cccc(Cl)c2)CCCC1,CHEMBL231858,4.625
+COC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)CCC1,CHEMBL232675,5.18
+COC(=O)C1=C(c2ccc3ccccc3c2)CCC1,CHEMBL396082,5.27
+COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL245061,5.567
+CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCNC1,CHEMBL396754,4.69
+CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL243141,6.04
+CCOC(=O)C1=C(c2ccc3ccccc3c2)CCNC1,CHEMBL388257,7.1
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1,CHEMBL242920,5.9
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1,CHEMBL215988,6.49
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccccc1,CHEMBL388255,4.76
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccccc1,CHEMBL243204,5.07
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C,CHEMBL242338,8.225
+COC(=O)C1=C(c2ccc(C(C)=O)cc2)CCC1,CHEMBL232867,4.31
+COC(=O)C1=C(c2ccc(OC)cc2)CCC1,CHEMBL232672,5.2
+O=C(OCCF)C1C2CCC(CC1c1ccc(/C=C\I)cc1)N2,CHEMBL230000,7.89
+COC(=O)C1=C(c2cc(C)c(C)cc2C)C2CCC1C2,CHEMBL235351,4.49
+COC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)C2CCC1N2,CHEMBL438682,4.17
+COC(=O)C1=C(c2ccc(C)c(F)c2)C2CCC1C2,CHEMBL429630,4.25
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL391074,6.72
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL237512,6.4
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL391947,6.0
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236046,6.15
+CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N,CHEMBL238867,6.47
+CN(C)Cc1cc(O)ccc1Sc1ccccc1N,CHEMBL241228,6.18
+COc1ccc(Sc2ccccc2N)c(CN(C)C)c1,CHEMBL241648,6.24
+CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N,CHEMBL241647,6.35
+CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N,CHEMBL396402,6.45
+CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N,CHEMBL393625,6.52
+CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N,CHEMBL239079,6.07
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL395368,7.34
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL395609,6.99
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL246955,7.54
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,6.97
+O=C(OCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL248825,5.82
+O=C(OCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL403571,6.4
+Cc1cccc(OC(=O)C2=C(c3ccc(Cl)c(Cl)c3)CCC2)c1,CHEMBL248824,7.22
+Cc1ccccc1OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL403570,6.66
+O=C(Oc1ccccc1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401071,6.77
+O=C(OCC(F)(F)F)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL249215,5.47
+O=C(OCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401070,6.3
+O=C(OCCO)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL249214,6.52
+CC(C)OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL401069,5.59
+O=C(OC1CCCCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399430,4.92
+O=C(NCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399429,7.52
+O=C(NCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL428408,6.85
+CONC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL399228,6.08
+CON(C)C(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL249213,5.19
+O=C(NCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL398559,7.15
+O=C(NC1CCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL402924,5.05
+CCN(CC)C(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL250008,4.03
+O=C(C1=C(c2ccc(Cl)c(Cl)c2)CCC1)N1CCCC1,CHEMBL249807,4.24
+O=C(C1=C(c2ccc(Cl)c(Cl)c2)CCC1)N1CCOCC1,CHEMBL250000,4.96
+CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,CHEMBL250689,6.31
+CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C,CHEMBL249854,5.19
+CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N,CHEMBL253184,6.66
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270625,5.14
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL403377,5.05
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL401867,5.1
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL401683,5.14
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272699,5.6
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257909,6.11
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL257738,6.48
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL257221,5.11
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL270607,5.15
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,CHEMBL403148,5.15
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL404247,5.52
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402644,6.31
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL408206,6.48
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL409877,5.15
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL273157,5.4
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270165,5.08
+CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL403441,5.58
+Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1,CHEMBL270791,5.58
+CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1,CHEMBL273208,5.72
+CCCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL258291,5.65
+CCCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL258292,5.7
+Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1,CHEMBL403363,5.54
+CNCc1cnc(C)cc1Oc1ccccc1C(C)C,CHEMBL401651,5.67
+Cc1cc(Oc2ccccc2Cl)c(CN(C)C)cn1,CHEMBL401550,5.94
+CNCc1cnc(C)cc1Oc1ccccc1Cl,CHEMBL440584,6.08
+CSc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL405017,5.71
+CNCc1cnc(C)cc1Oc1ccccc1SC,CHEMBL403956,5.76
+Cc1cc(Oc2ccccc2C)c(CN(C)C)cn1,CHEMBL404885,5.85
+CNCc1cnc(C)cc1Oc1ccccc1C,CHEMBL270366,5.82
+CCOc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL429759,5.67
+CCOc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL408329,5.62
+COc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL265951,5.39
+CNCc1cnc(C)cc1Oc1ccccc1OC,CHEMBL262357,5.32
+CCc1ccccc1Oc1cc(C)ncc1CN(C)C,CHEMBL436673,5.58
+CCc1ccccc1Oc1cc(C)ncc1CNC,CHEMBL261465,5.64
+CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC,CHEMBL403251,5.36
+COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@@H]1CNCCO1,CHEMBL264173,5.78
+COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1,CHEMBL264159,4.97
+COc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL264160,5.96
+Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl,CHEMBL408230,6.38
+c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,CHEMBL258930,5.24
+Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1F,CHEMBL264418,6.42
+Fc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1F,CHEMBL264680,5.59
+Cc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL404956,6.02
+Cc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL427563,5.9
+Fc1ccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c(Cl)c1,CHEMBL260823,6.12
+Fc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,CHEMBL407732,5.93
+COc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260258,5.51
+COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL408868,5.75
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,5.8
+COc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1,CHEMBL261076,5.48
+CCOc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1,CHEMBL405349,5.795
+CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL511347,7.28
+OC1([C@H](CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461707,6.87
+OC1([C@@H](CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461706,6.47
+OC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1,CHEMBL461705,7.35
+CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL511525,7.14
+CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1,CHEMBL459852,6.63
+CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL476954,6.19
+c1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1,CHEMBL478836,5.61
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL478622,5.62
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1,CHEMBL514560,5.54
+CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL514232,5.57
+CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL477573,5.59
+CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O,CHEMBL477572,5.53
+CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL501919,5.54
+O=S(=O)(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)C(F)(F)F,CHEMBL477571,5.68
+CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478835,5.57
+CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476313,5.68
+CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL515936,5.56
+CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476312,5.57
+O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477148,5.38
+CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL516094,5.53
+CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL476320,5.72
+CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,CHEMBL516730,5.49
+CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL503378,5.48
+CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL477783,5.7
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478834,5.52
+COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL517978,5.5
+CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL478833,5.46
+CSc1ccccc1CN(C(=O)C(C)C)[C@H]1CCNC1,CHEMBL518276,5.86
+CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1,CHEMBL450435,5.53
+CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL476942,5.47
+CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476116,5.43
+CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL507723,5.58
+O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL449235,5.67
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,5.94
+Clc1ccc(C23CNCC2C3)cc1Cl,CHEMBL528995,6.6
+Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl,CHEMBL592374,7.033
+CCCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463585,7.22
+CCCC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463389,6.44
+CC1(c2ccc3[nH]ccc3c2)CCNC1,CHEMBL463388,6.26
+N#Cc1c[nH]c2ccc(C3(Cc4ccccc4)CCNC3)cc12,CHEMBL517305,6.14
+CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL463387,6.98
+CNC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL442924,6.48
+NC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457931,7.74
+N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL457930,7.08
+CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,CHEMBL512551,7.42
+Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21,CHEMBL459176,8.0
+c1ccc(CCC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL504231,7.24
+COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1,CHEMBL514759,7.41
+Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,CHEMBL513258,7.1
+c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1,CHEMBL456654,7.21
+c1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1,CHEMBL514447,5.9
+c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1,CHEMBL486538,6.13
+c1ccc(CC2(c3ccc4sccc4c3)CCNC2)cc1,CHEMBL486537,7.8
+c1ccc(CC2(c3ccc4n[nH]cc4c3)CCNC2)cc1,CHEMBL520869,6.94
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL54465,6.37
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1,CHEMBL477587,6.46
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1,CHEMBL449277,6.44
+COc1ccc2c(c1)CCN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL293583,6.34
+COc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL294481,6.43
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL55505,6.51
+Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL26649,8.1
+FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL513859,6.96
+FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468208,6.85
+O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL511756,6.35
+O=C(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL468207,7.27
+CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL512280,6.82
+CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468376,7.24
+C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL466733,6.39
+C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466538,7.0
+O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL466750,8.0
+O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL511950,8.19
+CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL469165,8.15
+CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL512636,8.4
+C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL467757,7.52
+C=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL467585,7.74
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL27907,6.68
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL283662,7.32
+Fc1ccc(C(OCCN2CCN(C[C@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL468212,7.66
+Fc1ccc(C(OCCN2CCN(C[C@@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL468211,8.57
+CO[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL468573,7.57
+CO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL513858,7.54
+N[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466936,7.7
+N[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL466145,7.41
+CC(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL511718,7.77
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282380,7.6
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28149,8.64
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27490,7.92
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27646,9.12
+O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26477,8.52
+O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26478,8.36
+NCC1CCC(c2ccccc2)O1,CHEMBL458639,6.04
+NCC1CCC(c2ccc(Cl)cc2)O1,CHEMBL447825,5.17
+NCC1CCC(c2ccc(Br)cc2)O1,CHEMBL461268,5.21
+NCC1CCC(c2ccc3ccccc3c2)O1,CHEMBL504028,6.29
+NCC1CCC(c2cccc3ccccc23)O1,CHEMBL456638,5.07
+NCC1CCC(CCc2ccccc2)O1,CHEMBL456639,5.82
+Cc1cc(CCC2CCC(CCN)O2)ccc1F,CHEMBL457968,5.2
+NCCC1CCC(CCc2ccc(O)cc2)O1,CHEMBL457966,5.26
+COc1ccc(F)cc1C1CCC(CN)O1,CHEMBL457967,4.37
+COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1,CHEMBL512736,4.48
+COc1ccc(F)cc1C[C@H]1CC[C@H](CN)O1,CHEMBL456221,4.56
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1,CHEMBL450987,4.01
+COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1,CHEMBL456222,4.29
+COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1,CHEMBL450769,4.46
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1,CHEMBL511500,4.84
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CN)O1,CHEMBL456223,4.52
+COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1,CHEMBL462311,5.19
+COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1,CHEMBL460406,4.79
+COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1,CHEMBL460407,5.14
+COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1,CHEMBL459367,5.34
+COc1ccc(F)cc1CCCC1CCC(CCN)O1,CHEMBL450907,4.9830000000000005
+COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1,CHEMBL455221,5.41
+COc1ccc(F)cc1CCCCC1CCC(CCN)O1,CHEMBL460204,5.47
+COc1ccc(F)cc1CCC1CCC(CCN)O1,CHEMBL464422,5.19
+COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1,CHEMBL505431,5.61
+COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1,CHEMBL451500,5.27
+CNCCC1CCC(CCc2cc(F)ccc2OC)O1,CHEMBL473966,4.17
+COc1ccc(CCN(C)CCN2CCCCC2)cc1,CHEMBL493384,4.89
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL498774,5.02
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL497338,4.92
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL445977,4.88
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL498565,4.92
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL526849,5.62
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL498564,5.38
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL498566,5.26
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL493369,5.2
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL482903,5.6
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL519819,5.94
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL520970,5.44
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL483316,5.46
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL503609,5.99
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL520301,5.83
+Cc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL179249,6.56
+Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL467432,6.49
+NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL465123,5.34
+NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL446084,5.44
+COc1ccc(C2=NN(CCCCCNCC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL454507,5.57
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)C3CC=CCC23)cc1OC,CHEMBL499461,5.35
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462431,7.06
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL525952,7.45
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,CHEMBL462410,6.75
+O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,CHEMBL462585,6.93
+O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C/I)c1)N2,CHEMBL516825,6.56
+NC[C@H]1C[C@@H]1c1ccccc1Br,CHEMBL467736,5.67
+NC[C@H]1C[C@@H]1c1ccc(F)cc1,CHEMBL493130,5.49
+Cc1cccc([C@H]2C[C@@H]2CN)c1,CHEMBL445747,5.27
+CCCC(C(=O)c1ccc(N)c(I)c1)N1CCCC1,CHEMBL553937,7.55
+CCCC(C(=O)c1ccc(N)cc1)N1CCCC1,CHEMBL555491,8.3
+CCCC(C(=O)c1ccc([N-][N+]#N)c(I)c1)N1CCCC1,CHEMBL558086,7.11
+Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551935,5.63
+CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564059,5.52
+CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL551471,5.58
+O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1,CHEMBL564021,5.87
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1,CHEMBL552338,5.64
+CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL561739,5.57
+CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556539,5.44
+CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,CHEMBL556093,5.69
+O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1,CHEMBL562569,5.43
+CCCN(C(=O)c1ccccc1SC)[C@H]1CCNC1,CHEMBL549509,5.51
+CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,CHEMBL549510,5.32
+CSc1ccccc1C(=O)N(c1ccccc1)[C@H]1CCNC1,CHEMBL557660,5.46
+CSc1ccccc1C(=O)N(C1CCCCC1)[C@H]1CCNC1,CHEMBL553395,5.53
+O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1,CHEMBL562533,5.5
+O=C(c1ccccc1C(F)(F)F)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL564934,5.56
+CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1,CHEMBL550402,5.46
+CCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,CHEMBL563117,5.45
+O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1,CHEMBL564935,5.33
+CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL562802,5.46
+O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL563384,5.4
+O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@@H]1CCNC1,CHEMBL558853,5.39
+COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL550870,7.1
+NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL552341,7.6
+N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564285,6.1
+N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL570317,7.5
+N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL550469,6.3
+Fc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL551818,6.6
+Fc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,CHEMBL564094,7.1
+Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL557119,6.9
+c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1,CHEMBL571893,6.3
+c1ccc(CCN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL564288,6.8
+O=C(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL555565,5.4
+CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,CHEMBL561599,5.8
+Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21,CHEMBL552938,7.1
+c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1,CHEMBL556714,6.7
+c1ccc(CN(c2ccc3n[nH]cc3c2)C2CCNCC2)cc1,CHEMBL561598,7.3
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNC2)cc1,CHEMBL551135,7.5
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCCNC2)cc1,CHEMBL560536,7.4
+c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,CHEMBL560535,7.3
+CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL550932,6.3
+CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL556299,6.7
+CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558329,6.165
+CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558065,6.04
+CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL553224,6.6
+CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1,CHEMBL558525,5.72
+Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,CHEMBL574427,9.0
+Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1,CHEMBL574231,8.22
+Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL584173,7.89
+Fc1cccc(Oc2ccccc2)c1C1CCNCC1,CHEMBL574428,7.35
+O=C1C(Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1,CHEMBL574126,7.06
+Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1,CHEMBL574004,6.86
+Fc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL583752,6.78
+Fc1cccc(C2CCNCC2)c1Oc1ccccc1,CHEMBL583751,6.62
+c1ccc(Oc2ccccc2C2CCNCC2)cc1,CHEMBL575077,6.55
+Clc1cccc(Oc2ccccc2C2CCNCC2)c1,CHEMBL575290,6.51
+c1ccc(OCc2ccccc2C2CCNCC2)cc1,CHEMBL574348,6.4
+Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1,CHEMBL573971,6.34
+Fc1cccc(OCc2ccccc2C2CCNCC2)c1,CHEMBL573766,6.34
+Fc1cccc(OCc2ccccc2N2CCNCC2)c1F,CHEMBL575714,6.33
+Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1,CHEMBL574008,6.18
+c1ccc(OCc2ccccc2N2CCNCC2)cc1,CHEMBL574127,6.15
+c1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573769,6.0
+Fc1cccc(OCc2ccccc2)c1C1CCNCC1,CHEMBL575930,5.99
+Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1,CHEMBL583332,5.97
+O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F,CHEMBL575699,5.87
+Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1,CHEMBL573898,5.84
+Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1,CHEMBL574347,5.77
+Fc1ccccc1COc1ccccc1C1CCNCC1,CHEMBL573897,5.74
+Fc1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573972,5.35
+c1ccc(Oc2ccccc2N2CCNCC2)cc1,CHEMBL573532,5.33
+Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1,CHEMBL574629,5.26
+Fc1cccc(C2CCNCC2)c1OCc1ccccc1,CHEMBL583750,5.13
+Fc1ccc(COc2ccccc2C2CCNCC2)cc1,CHEMBL573531,5.04
+CCN(CC)C(C)C(=O)c1cccc(Cl)c1,CHEMBL578815,5.65
+CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,CHEMBL566618,5.66
+CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1,CHEMBL566000,5.66
+CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1,CHEMBL566001,5.72
+Cc1cc(C(=O)C(C)NC(C)(C)C)ccc1Br,CHEMBL565845,5.76
+CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1,CHEMBL567479,5.77
+CC(NC1CC1)C(=O)c1cccc(Cl)c1,CHEMBL569700,5.94
+Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl,CHEMBL565844,5.94
+CC(C(=O)c1cccc(Cl)c1)N1CCCCC1,CHEMBL566420,5.94
+CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565382,6.15
+CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565593,6.29
+CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL568140,6.33
+CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL566886,6.34
+CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL576622,6.46
+CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566208,6.56
+CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL565594,6.85
+CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL569465,7.02
+CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL566050,7.36
+CC(NC1CCC1)C(=O)c1cccc(Cl)c1,CHEMBL566418,6.46
+CC(C(=O)c1cccc(Cl)c1)N(C)C(C)(C)C,CHEMBL578612,5.19
+CC(NC(C)(C)C)C(=O)c1ccccc1,CHEMBL569699,5.24
+CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1,CHEMBL577501,5.25
+CC(NC(C)(C)C)C(=O)c1cccc(F)c1,CHEMBL576063,5.35
+CC(NC(C)(C)C)C(=O)c1cccc(Br)c1,CHEMBL565396,5.38
+CC(C(=O)c1cccc(Cl)c1)N(C)C,CHEMBL566830,5.38
+CC(C)NC(C)C(=O)c1cccc(Cl)c1,CHEMBL565397,5.4
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL596001,9.0
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccsc3)cc1)N2C,CHEMBL595677,8.6
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL608703,8.43
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL610766,8.41
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595190,8.41
+CN1C2CCC1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL606809,8.26
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611960,8.18
+CN1C2CCC1[C@@H](C(=O)OCc1cn(CCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595638,7.8
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611961,7.7
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL611959,7.68
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595767,7.03
+CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607547,6.8
+CN1C2CCC1[C@@H](C(=O)NCCC1CCN(C(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595540,6.74
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611962,6.68
+CN1C2CCC1[C@@H](C(=O)NCc1cccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)c1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607548,6.64
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595751,6.46
+CN1C2CCC1[C@@H](C(=O)NCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595766,6.27
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL608704,6.16
+CN1C2CCC1[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL595674,6.16
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL607546,6.15
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL611963,6.1
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL595539,6.05
+CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)CC1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,CHEMBL594388,5.89
+CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL336920,6.26
+NCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL594585,5.45
+COc1ccc(C2=NN(CCCCCNCC[C@@H](Oc3cccc4ccccc34)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL596175,6.07
+COc1ccc(C2=NN(CCCCCNCC[C@H](Oc3cccc4ccccc34)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC,CHEMBL596185,5.34
+Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1,CHEMBL590615,6.86
+Cc1ccc(Sc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592696,5.91
+Cc1ccc(Oc2cc(F)ccc2CN(C)C)c(N)c1,CHEMBL592697,6.02
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,6.3
+Cc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1,CHEMBL589086,6.14
+Cc1ccc(Oc2ccc(OCCF)cc2CN(C)C)c(N)c1,CHEMBL591514,5.38
+Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1,CHEMBL589178,5.16
+Cc1ccc(Oc2ccc(OCCCCF)cc2CN(C)C)c(N)c1,CHEMBL589179,5.44
+Fc1ccccc1Oc1cccc(F)c1C1CCNCC1,CHEMBL598346,6.56
+c1ccc(Oc2ncccc2C2CCNCC2)cc1,CHEMBL608148,5.37
+Clc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL609904,5.29
+COc1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL597531,5.19
+FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1,CHEMBL596715,5.18
+Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl,CHEMBL600854,6.51
+Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,CHEMBL598767,5.59
+COc1cccc(F)c1Oc1ncccc1C1CCNCC1,CHEMBL598561,5.19
+Clc1ccc([C@]2(CCOC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL611367,8.2
+CCC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596806,8.3
+CC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL596805,8.2
+CCOCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL609023,7.8
+COCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL602323,8.0
+CCC(C)OC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL598228,8.1
+FC(F)(F)COC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,CHEMBL610220,7.6
+Clc1ccc([C@]2(COC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL590472,8.2
+Clc1ccc([C@]2(COCC3CC3)[C@H]3CNC[C@H]32)cc1Cl,CHEMBL598644,8.0
+CCOC[C@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021583,5.2
+CCOC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21,CHEMBL2021582,7.7
+Cc1csc(C[C@@H]2[C@H]3CNC[C@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL603480,7.3
+Cc1csc(C[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL597000,7.7
+Cc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,CHEMBL596796,7.5
+Cc1cnc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)o1,CHEMBL596795,6.9
+CCOCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL597608,7.1
+COCC[C@H]1[C@@]2(c3ccc(Cl)c(Cl)c3)CNC[C@]12C,CHEMBL2021581,6.9
+COCC[C@H]1[C@]2(C)CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL2021580,7.25
+OCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL598216,7.1
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc2ccccc2c1,CHEMBL598215,7.6
+CCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL600645,7.6
+CSC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599242,7.2
+CSC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL599241,7.25
+CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL611990,6.2
+Fc1ccc(OC[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)cc1,CHEMBL599240,7.1
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCCC2)cc1Cl,CHEMBL605119,7.7
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCCC2)cc1Cl,CHEMBL596989,7.0
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCC2)cc1Cl,CHEMBL596987,8.4
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCC2)cc1Cl,CHEMBL596784,6.6
+Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCC2)cc1Cl,CHEMBL611063,8.15
+CC(C)OC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL605209,8.3
+FC(F)(F)COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL597190,7.6
+CCOC[C@H]1[C@@H]2CN(C)C[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL605502,7.4
+CCOC[C@H]1[C@@H]2CNC[C@@]21C,CHEMBL2021577,6.7
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,7.975
+CCCOC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL598825,7.9
+Clc1ccc([C@]23CNC[C@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL607871,6.3
+Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COCC2CC2)cc1Cl,CHEMBL610795,7.9
+COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,CHEMBL599638,6.29
+COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL596809,7.093
+COC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL603540,6.18
+OC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,CHEMBL606120,6.34
+OC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL592375,6.32
+CCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1078312,5.96
+CCCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080069,6.2
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080787,6.26
+O=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1,CHEMBL1080788,5.43
+O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1,CHEMBL1080789,6.39
+CC(C)(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080790,6.56
+O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1,CHEMBL1080968,6.01
+CCC(CC)N(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,CHEMBL1080969,5.59
+O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1,CHEMBL1079263,6.02
+O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCNC1,CHEMBL1079264,6.3
+CC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1,CHEMBL1079265,5.62
+CC(C)CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCNC1,CHEMBL1077647,5.61
+CC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1,CHEMBL1078741,5.51
+CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1,CHEMBL1078742,6.37
+CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1,CHEMBL1078743,5.88
+CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@H]1CCNC1,CHEMBL1077638,5.68
+Cc1c(Cl)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078162,6.29
+Cc1c(F)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,CHEMBL1078163,5.79
+CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCNC1,CHEMBL1078164,5.63
+CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCNC1,CHEMBL1078073,5.59
+CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1,CHEMBL1078076,5.6
+CC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,CHEMBL1078169,5.44
+CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCNC1,CHEMBL1078170,5.51
+CC(N)Cc1ccc2c(c1)OCO2,CHEMBL6731,5.62
+CNC(C)Cc1ccc2c(c1)OCO2,CHEMBL43048,6.05
+Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,CHEMBL1084971,5.68
+CCCOc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL213754,5.71
+c1ccc(C(Cc2ccccc2OC2CC2)N2CCNCC2)cc1,CHEMBL1083705,5.86
+c1ccc(C(Cc2ccccc2OCC2CC2)N2CCNCC2)cc1,CHEMBL1083706,5.85
+FC(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1083708,5.3870000000000005
+COc1c(F)cccc1CC(c1ccccc1)N1CCNCC1,CHEMBL1086273,5.17
+COc1cccc(F)c1CC(c1ccccc1)N1CCNCC1,CHEMBL1086274,5.63
+COc1ccccc1CC(c1cccc(F)c1)N1CCNCC1,CHEMBL1085321,5.39
+COc1ccccc1CC(c1ccc(F)cc1)N1CCNCC1,CHEMBL1085567,5.31
+Fc1cccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)c1,CHEMBL1084577,5.46
+Fc1ccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)cc1,CHEMBL1083425,5.75
+Fc1cccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1,CHEMBL1083427,5.31
+Fc1ccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1,CHEMBL1084033,5.49
+c1cc2n[nH]cc2cc1N1CCNC[C@H]1CC1CCOCC1,CHEMBL1171007,6.0
+c1cc2n[nH]cc2cc1N1CCNC[C@@H]1CC1CCOCC1,CHEMBL1170397,7.3
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCOCC1,CHEMBL1170396,7.4
+COCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169916,6.8
+CCOCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170213,6.5
+COCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1171425,6.3
+c1cc2n[nH]cc2cc1N1CCNCC1CC1CCCCC1,CHEMBL1171424,6.5
+CC(C)CC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172526,7.8
+CCCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172525,7.5
+CCC[C@@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1172524,6.1
+CCC[C@H]1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1169912,7.6
+CCCC1CNCCN1c1ccc2n[nH]cc2c1,CHEMBL1170374,7.2
+c1ccc(CCC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1170373,7.5
+c1ccc(C2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1169733,6.7
+c1ccc(CC2CNCCN2c2ccc3n[nH]cc3c2)cc1,CHEMBL1171975,7.8
+c1ccc(CC2CNCCN2c2cnc3[nH]ccc3c2)cc1,CHEMBL1170212,6.3
+Fc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170211,7.8
+Clc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170210,7.0
+COc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,CHEMBL1170209,5.8
+NC(=O)c1cc2cc(N3CCNCC3Cc3ccccc3)ccc2[nH]1,CHEMBL1170017,8.5
+NC(=O)c1c[nH]c2ccc(N3CCNCC3Cc3ccccc3)cc12,CHEMBL1170795,6.8
+Cn1ccc2cc(N3CCNCC3Cc3ccccc3)ccc21,CHEMBL1170794,6.9
+Clc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl,CHEMBL1170793,7.1
+CNc1ccc(N2CCNCC2Cc2ccccc2)cc1,CHEMBL1170585,6.4
+c1ccc(CC2CNCCN2c2ccccc2)cc1,CHEMBL1171392,6.3
+c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1,CHEMBL1171391,8.2
+Clc1ccc([C@]23CCN4CC[C@]2(C4)C3)cc1Cl,CHEMBL1172902,6.85
+COC[C@@]12CN(C(C)C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1172760,5.9
+COC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1170233,7.5
+C=CCC(OC)[C@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173087,8.85
+COC[C@@]12CNC[C@@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173086,6.4
+COC[C@@]12CNC[C@H](OC)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173085,6.3
+COC[C@@]12CNC[C@@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173520,7.0
+COC[C@@]12CNC[C@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173519,7.0
+COC[C@@]12CN[C@@H](C)C[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173416,7.4
+CC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173754,8.4
+CC#CNC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173753,6.8
+NC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173752,6.6
+CCOC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173751,8.3
+FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173594,7.4
+COC[C@@]12CNCC[C@]1(c1ccc(C(F)(F)F)c(Cl)c1)C2,CHEMBL1173415,5.8
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(C(F)(F)F)c1)C2,CHEMBL1173414,5.5
+COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2,CHEMBL1173413,6.8
+COC[C@@]12CNCC[C@]1(c1ccc(OC(F)(F)F)cc1)C2,CHEMBL1169622,5.1
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)cc1)C2,CHEMBL1173412,6.6
+COC[C@@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1173342,6.4
+COC[C@H]1[C@@H]2CNCC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172381,5.9
+OC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173530,6.933
+Clc1ccc([C@@]23CCNC[C@@H]2C3)cc1Cl,CHEMBL1237064,7.4
+COC[C@@H]1[C@@H]2CCNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL1172919,6.9
+Clc1ccc([C@]23CNCC[C@H]2C3)cc1Cl,CHEMBL1173341,7.167000000000001
+Clc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl,CHEMBL1173607,7.9
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C/C=C/CF,CHEMBL1214005,8.02
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/CF,CHEMBL1214006,9.22
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C/C=C/CF,CHEMBL1214007,9.4
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C/C=C/CF,CHEMBL1214059,9.3
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/CF,CHEMBL1214060,8.57
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,CHEMBL1224562,8.1
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224402,7.8
+CC(C)CC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224490,8.2
+CCOCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224491,7.1
+CCCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224492,8.3
+CC(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224320,8.9
+CC(C)(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,CHEMBL1224321,9.15
+Cc1ccc(C(=O)C2(CCC(C)(C)C)CCNC2)cc1Cl,CHEMBL1224399,7.9
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNC1,CHEMBL1224400,8.3
+CC(C)(C)CCC1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1,CHEMBL1224401,8.0
+CC(C)(C)CCC1(C(=O)c2cc(Cl)c(Cl)s2)CCNC1,CHEMBL1224241,8.7
+CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1,CHEMBL1224316,8.0
+CC(C)(C)CCC1(C(=O)c2ccc(N)c(Cl)c2)CCNC1,CHEMBL1224317,8.5
+CC(C)(C)CCC1(C(=O)c2cnc(N)c(Cl)c2)CCNC1,CHEMBL1224318,7.2
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCNC1,CHEMBL1224319,8.1
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3s2)CCNC1,CHEMBL1224237,8.9
+CC(C)(C)CCC1(C(=O)c2cc3ccccc3[nH]2)CCNC1,CHEMBL1224238,8.6
+CC(C)(C)CCC1(C(=O)c2ccc3ccccc3n2)CCNC1,CHEMBL1224239,8.4
+Cc1cccc2nc(C(=O)C3(CCC(C)(C)C)CCNC3)ccc12,CHEMBL1224240,9.0
+CCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1,CHEMBL1224164,8.6
+CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCCN1,CHEMBL1224165,8.4
+CCCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCCN1,CHEMBL1224024,8.0
+CCC[C@@]1(C(=O)c2ccc(Cl)c(Cl)c2)CCCN1,CHEMBL1224025,7.3
+CCCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224089,8.2
+CC(C)CC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224090,8.5
+CC(C)OCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,CHEMBL1224091,8.5
+CCCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224092,7.9
+CC(C)CC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224093,8.2
+CC(C)(C)CCC1(C(=O)c2ccc3n[nH]cc3c2)CCCN1,CHEMBL1224094,8.5
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CNC1,CHEMBL1224095,6.1
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1,CHEMBL1224160,7.4
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCNC1,CHEMBL1224161,7.2
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNCC1,CHEMBL1224162,8.0
+O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCCNC1,CHEMBL1224163,6.6
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.69
+COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccccc1[N-][N+]#N,CHEMBL1641697,5.95
+COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1cccc([N-][N+]#N)c1,CHEMBL1641696,5.69
+COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccc([N-][N+]#N)cc1,CHEMBL1641695,6.18
+COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1ccccc1[N-][N+]#N,CHEMBL1641694,6.29
+COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1cccc([N-][N+]#N)c1,CHEMBL1641693,5.56
+COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1ccc([N-][N+]#N)cc1,CHEMBL1641692,6.44
+COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1,CHEMBL1641691,8.35
+COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1,CHEMBL1253735,7.85
+c1ccc(Oc2ccccc2OC2CNC2)cc1,CHEMBL1645596,5.68
+Fc1ccccc1Oc1ccccc1OC1CNC1,CHEMBL1645597,5.69
+Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1,CHEMBL1645599,5.33
+Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1,CHEMBL1645605,6.51
+Fc1ccccc1Oc1ccccc1OC1CCNCC1,CHEMBL1645606,5.35
+Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1,CHEMBL1645607,5.66
+Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1,CHEMBL1645613,5.69
+NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085023,7.9
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C/C=C/I,CHEMBL1643897,7.77
+CCCCC1=C(c2ccc(Cl)cc2)C2CCN1CC2,CHEMBL1643898,7.85
+CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL173861,8.14
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643901,8.92
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643902,7.0
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.77
+Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643899,5.46
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,4.96
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL296602,9.1
+Cc1cnc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)o1,CHEMBL1818443,9.0
+Cc1csc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818444,9.8
+Cc1cc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)no1,CHEMBL1818446,8.7
+Cc1noc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818447,9.1
+Cc1csc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818448,8.2
+Cc1coc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818449,7.2
+Cc1ncoc1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818450,7.9
+Cc1cnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818453,6.9
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818454,8.2
+FC(F)(F)c1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818456,8.8
+FC(F)(F)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818457,7.6
+N#Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818458,7.7
+N#Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818459,7.6
+Cc1cc(C(F)(F)F)nn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818460,8.7
+Cc1cc(C(F)(F)F)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818461,8.9
+CC(C)(C)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818462,8.2
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cccc2)C3)cc1Cl,CHEMBL1818463,7.8
+N#Cc1cccn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818464,7.9
+N#Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818465,7.9
+Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818466,7.5
+Cc1ccc(C)n1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818467,7.7
+Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,CHEMBL1818468,8.1
+Clc1ccc([C@]23CCNC[C@@]2(Cn2cncn2)C3)cc1Cl,CHEMBL1818469,6.7
+Cc1nc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818542,7.6
+CC(C)c1nnnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1818544,7.2
+CC(C)c1nnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,CHEMBL1818545,7.6
+Clc1ccc([C@]23CCNCC2(Cn2ccc4ccccc42)C3)cc1Cl,CHEMBL1818546,7.7
+Clc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl,CHEMBL1818441,7.8
+Clc1ccc([C@]23CCNCC2(Cn2cc4ccccc4n2)C3)cc1Cl,CHEMBL1818547,8.4
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,5.3
+Nc1nccc(-c2c[nH]c3cccc(O)c23)n1,CHEMBL50498,5.63
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,5.96
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL135,4.93
+CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,CHEMBL942,5.76
+CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL418971,4.82
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.76
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.71
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,5.67
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.1
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.88
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.17
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.7
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,5.36
+CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O,CHEMBL1629810,5.87
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,5.81
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,7.11
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,5.49
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.18
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1062,5.26
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.33
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.79
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,4.97
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,6.35
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,5.16
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,4.87
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.13
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,6.27
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,6.83
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.22
+Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CHEMBL12131,5.42
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,5.71
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.43
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.35
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,5.51
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,6.91
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,6.07
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.21
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.68
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,5.88
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,5.66
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.26
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.17
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.3
+CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,CHEMBL56367,4.93
+COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,CHEMBL9514,5.31
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,5.6
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,5.83
+N=C1NC(=O)C(c2ccccc2)O1,CHEMBL1177,6.38
+c1ccc2c(c1)Nc1ccccc1S2,CHEMBL828,4.83
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,6.16
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,5.88
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.68
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,4.91
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,7.17
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,5.86
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,5.64
+CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,CHEMBL503,5.1
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.87
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.3
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.68
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.66
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,5.89
+Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,CHEMBL960,5.64
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,4.73
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,6.1
+N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,CHEMBL428,4.31
+O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,CHEMBL119385,5.19
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,4.97
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,5.72
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.84
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.86
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.69
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,4.55
+CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,CHEMBL1419,6.3
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.36
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.69
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.83
+CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914699,8.39
+CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914698,8.1
+CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914697,7.75
+CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914696,8.25
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914695,6.9
+CN1C2CCC1[C@@H](C(=O)Nc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914694,7.09
+CN1C2CCC1[C@@H](C(=O)Nc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914693,6.97
+CN1C2CCC1[C@@H](C(=O)Nc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1914692,7.06
+C[C@H](N)Cc1ccccc1,CHEMBL612,6.96
+CC(NC(C)(C)C)C(=O)c1ccc([N-][N+]#N)c(I)c1,CHEMBL1946574,5.51
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL538876,7.77
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C(\I)C(F)(F)F,CHEMBL1947087,6.94
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C(I)=C/C(F)(F)F,CHEMBL1947088,9.06
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL1947089,7.49
+CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,CHEMBL1947090,6.3
+CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,CHEMBL1947091,6.3
+COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944970,6.3
+CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,CHEMBL1944971,6.3
+COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944972,7.33
+CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,CHEMBL1944973,6.47
+CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,CHEMBL1944974,6.3
+COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c(I)c2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944975,6.3
+CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,CHEMBL1944976,6.43
+COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2,CHEMBL1944977,6.95
+CCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,CHEMBL1944978,6.58
+CCCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,CHEMBL1944979,6.3
+COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c(I)c2)C[C@@H]2CC[C@H]1N2,CHEMBL1944980,6.3
+CCCCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,CHEMBL1945243,6.43
+COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL1945244,6.43
+CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C/C=C/I)cc1,CHEMBL1945245,6.43
+C/C=C/CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,CHEMBL1945246,7.82
+C=C(Br)CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,CHEMBL1945247,7.52
+C#CCN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,CHEMBL1945248,7.85
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1,CHEMBL1945249,7.38
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1C,CHEMBL1945250,7.03
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL1945252,6.94
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL1945253,7.54
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OCCF)N3C/C=C/I)cc1,CHEMBL563214,7.92
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF,CHEMBL1945778,7.55
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,CHEMBL1945780,8.2
+CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,CHEMBL1945781,7.74
+CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc([N-][N+]#N)c(I)c1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL1945782,7.85
+CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2,CHEMBL1945783,7.46
+CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2,CHEMBL1947092,7.96
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF,CHEMBL1947098,8.02
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF,CHEMBL1947099,9.22
+COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF,CHEMBL1947100,9.4
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF,CHEMBL1944824,9.3
+C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944827,9.17
+C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944828,8.49
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL390742,7.48
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL1944829,7.45
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCF,CHEMBL1944830,7.15
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCCF,CHEMBL1944640,7.32
+O=C(OCCF)[C@H]1[C@@H](c2cccc(/C=C\I)c2)C[C@@H]2CC[C@H]1N2,CHEMBL1944831,7.05
+O=C(OCCF)[C@H]1[C@@H](c2cccc(/C=C/I)c2)C[C@@H]2CC[C@H]1N2,CHEMBL1944832,6.56
+O=C(OCCF)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@H]1N2,CHEMBL1944833,7.88
+COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C,CHEMBL1945126,7.87
+CC(C)OC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C,CHEMBL1945127,7.51
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]2C(=O)OCc1ccccc1,CHEMBL1944643,7.31
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.86
+c1ccc(CCN2CCCC2)cc1,CHEMBL2030635,5.56
+Fc1cccc(CCN2CCCC2)c1,CHEMBL2030636,5.64
+Fc1cccc(CCCN2CCCC2)c1,CHEMBL2030637,5.48
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,5.32
+CN(CCF)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL2048519,8.42
+CN(CCCF)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL2048520,8.58
+CN(CCOCCF)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL2048521,8.33
+CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCF,CHEMBL2048522,6.16
+CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCF,CHEMBL2048523,6.87
+CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCF,CHEMBL2048524,7.74
+CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCF,CHEMBL2048525,7.57
+COC(=O)[C@H](c1ccc([N-][N+]#N)c(I)c1)[C@H]1CCCCN1,CHEMBL2062931,8.4
+COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1,CHEMBL1254439,7.11
+COC(=O)[C@H](c1ccc(N)cc1)[C@H]1CCCCN1,CHEMBL1253709,8.2
+COC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1,CHEMBL2062932,8.04
+COC(=O)[C@H](c1ccc([N-][N+]#N)cc1)[C@H]1CCCCN1,CHEMBL2062933,7.46
+COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL1179011,8.74
+CC(c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1)N1CC(Oc2ccc(F)cc2)C1,CHEMBL2180074,5.92
+C[C@H](c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1)N1CC(Oc2ccccc2)C1,CHEMBL2180073,6.53
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.49
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,5.54
+COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCF,CHEMBL2206307,8.1
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,CHEMBL2203551,6.43
+c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,CHEMBL2165447,7.62
+COc1ccc(F)cc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1,CHEMBL2206441,5.3
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.5
+Cc1ccc2c(c1)CN(C)C[C@H]2c1cccc(F)c1,CHEMBL2206511,6.54
+Cc1ccc2c(c1)CN(C)CC2c1ccc(Cl)cc1,CHEMBL2206510,7.39
+Cc1ccc2c(c1)CN(C)C[C@H]2c1ccc(F)cc1,CHEMBL2206509,7.44
+Cc1ccc2c(c1)CN(C)CC2c1cc(F)cc(F)c1,CHEMBL2206508,7.11
+Cc1ccc2c(c1)CN(C)CC2c1cccc(Cl)c1,CHEMBL2206507,7.44
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206536,6.97
+Cc1ccc(C2CN(C)Cc3cc(C)ccc32)cc1,CHEMBL2206535,7.57
+CN1Cc2cc(O)ccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206534,7.19
+COc1ccc2c(c1)CN(C)CC2c1ccc(C)c(F)c1,CHEMBL2206533,7.67
+COc1ccc2c(c1)CN(C)CC2c1cccc(C)c1,CHEMBL2206532,7.6
+COc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206531,7.11
+CN1Cc2cc(F)ccc2C(c2ccccc2)C1,CHEMBL2206530,6.16
+Cc1ccc(C2CN(C)Cc3c(C)cccc32)cc1,CHEMBL2206529,7.97
+Cc1cccc2c1CN(C)CC2c1ccc(F)c(F)c1,CHEMBL2206528,7.24
+Cc1cc(C2CN(C)Cc3ccccc32)ccc1F,CHEMBL2206527,7.21
+Cc1ccc(C2CN(C)Cc3ccccc32)cc1F,CHEMBL2206526,7.52
+CN1Cc2ccccc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL2206525,7.35
+CN1Cc2ccccc2C(c2ccc(F)c(F)c2)C1,CHEMBL2206524,7.01
+Cc1cccc2c1C(c1ccccc1)CN(C)C2,CHEMBL2206522,5.74
+COc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206521,6.76
+Cc1ccc2c(c1)C(c1ccccc1)CN(C)C2,CHEMBL2206520,6.97
+Cc1ccc2c(c1C)CN(C)CC2c1ccccc1,CHEMBL207867,6.64
+CCOc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206519,6.68
+COc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206518,7.09
+CCc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206517,6.63
+Cc1ccc2c(c1)CN(C)CC2c1ccccc1,CHEMBL2206516,6.95
+CN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL2206515,6.43
+CN1Cc2c(O)cccc2C(c2ccccc2)C1,CHEMBL2206514,6.89
+COc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206513,6.8
+Cc1cccc2c1CN(C)CC2c1ccccc1,CHEMBL2206512,6.56
+OCC[C@@]1(c2cc3ccccc3o2)CCCNC1,CHEMBL2321994,6.4
+OCC[C@]1(c2cc3ccccc3o2)CCCNC1,CHEMBL2321993,8.22
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321992,6.85
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,CHEMBL2321991,8.03
+OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2321990,7.04
+OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCCNC1,CHEMBL2326695,8.38
+COCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326694,8.05
+OCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326693,7.43
+Clc1ccc(C2CCCCNC2)cc1Cl,CHEMBL2326692,7.96
+CN1CCCCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2326691,8.1
+C1=CCC(c2cc3ccccc3o2)CNC1,CHEMBL2326690,7.64
+CN1CC=CCC(c2cc3ccccc3o2)C1,CHEMBL2326689,7.22
+Clc1cccc(C2CC=CCNC2)c1,CHEMBL2326688,6.62
+Clc1ccc(C2CC=CCNC2)cc1,CHEMBL2326687,7.6
+Fc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2326686,7.17
+Cc1cc(C2CC=CCNC2)ccc1Cl,CHEMBL2326685,7.62
+Cc1cc(C2CC=CCN(C)C2)ccc1Cl,CHEMBL2326684,7.64
+Cc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2322002,7.31
+C1=CCC(c2ccc3ccccc3c2)CNC1,CHEMBL2322001,8.0
+Clc1ccc([C@@H]2CC=CCNC2)cc1Cl,CHEMBL2322000,8.1
+Clc1ccc([C@H]2CC=CCNC2)cc1Cl,CHEMBL2321999,8.22
+Clc1ccc(C2CC=CCNC2)cc1Cl,CHEMBL2321998,8.22
+CN1CC=CC[C@@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321997,7.89
+CN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321996,8.52
+CN1CC=CCC(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2321995,8.3
+Clc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(-c2ccccn2)c1,CHEMBL2338055,7.0
+Cc1cc(Cl)cc(-c2ccccn2)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338054,7.0
+Fc1cc(F)c(F)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1F,CHEMBL2338053,7.1
+Fc1cc(F)c(F)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1F,CHEMBL2338052,7.0
+Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@@H]2CCNC2)c1Cl,CHEMBL2338051,7.2
+Fc1ccc(F)c(O[C@H](c2ccccc2)[C@H]2CCNC2)c1Cl,CHEMBL2338050,7.2
+Fc1ccc(F)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl,CHEMBL2338049,8.1
+Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl,CHEMBL2338048,7.9
+Fc1cc(Cl)cc(Cl)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338047,8.1
+Fc1cc(F)c(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl,CHEMBL2338046,6.5
+Fc1cc(F)c(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl,CHEMBL2338045,7.0
+Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1F,CHEMBL2338044,6.9
+Clc1ccc(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl,CHEMBL2338043,7.0
+Clc1ccc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl,CHEMBL2338042,7.0
+Clc1cc(Cl)c(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1,CHEMBL2338041,6.4
+Clc1cc(Cl)c(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1,CHEMBL2338040,6.1
+Cc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338039,7.4
+COc1cc([N+](=O)[O-])ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338038,5.6
+COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2338037,6.9
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338036,6.4
+Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1,CHEMBL2338035,7.0
+Fc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338034,7.5
+Fc1cc(F)cc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1,CHEMBL2338033,7.0
+Fc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2338032,7.2
+Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(F)c1,CHEMBL2338031,6.8
+Clc1cc(Cl)cc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1,CHEMBL2337608,6.8
+Clc1cc(Cl)cc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1,CHEMBL2337607,6.5
+Clc1cccc(Cl)c1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337606,6.5
+Clc1cccc(Cl)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2337605,6.9
+Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1,CHEMBL2337604,7.4
+Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl,CHEMBL2337603,8.5
+Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl,CHEMBL2337602,7.4
+Fc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337598,6.9
+Clc1ccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)cc1,CHEMBL2337597,6.8
+Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)cc1,CHEMBL2337596,7.8
+Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1,CHEMBL2337595,7.5
+Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1,CHEMBL2337594,6.9
+Clc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337593,7.3
+Clc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2337592,7.2
+Cc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337591,6.9
+Cc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2337590,6.8
+COc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337589,6.6
+COc1ccccc1O[C@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2337588,6.0
+COc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,CHEMBL2337587,6.3
+COc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,CHEMBL2337586,6.0
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc4cccc(-c5ccc6c(c5)COC6(CCCN(C)C)c5ccc(F)cc5)c4)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CHEMBL2336610,4.96
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,5.21
+O=C(Oc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21,CHEMBL451838,5.41
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.01
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,5.22
+O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL241115,5.18
+O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CHEMBL394755,5.48
+O=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21,CHEMBL239616,7.04
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,5.34
+c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432045,5.46
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.7
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.81
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,5.89
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.9
+O=C(OCCF)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105243,8.88
+O=C(O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL3105242,7.43
+NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126730,5.92
+NCCSC(c1ccccc1)c1ccccc1,CHEMBL1516187,6.41
+CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126751,5.43
+CNC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126750,5.26
+CCNC(C)C(=O)c1ccccc1,CHEMBL3298876,5.99
+CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1,CHEMBL3319405,6.54
+CN(C)Cc1ccc2c(c1)CN(C)CC2c1ccc2sccc2c1,CHEMBL3323179,8.36
+CN1Cc2ccccc2C(c2ccc3[nH]ccc3c2)C1,CHEMBL3323101,8.42
+CN1Cc2ccccc2C(c2ccc3sccc3c2)C1,CHEMBL3323095,8.42
+CN1Cc2ccccc2C(c2cccc3ccoc23)C1,CHEMBL3323094,8.35
+CN1Cc2ccccc2C(c2cc3ccccc3o2)C1,CHEMBL3323091,7.87
+CN1Cc2ccccc2C(c2ccc3ccoc3c2)C1,CHEMBL3323090,8.12
+CN1Cc2ccccc2C(c2ccc3occc3c2)C1,CHEMBL3323089,8.35
+Cc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1,CHEMBL3323088,7.44
+CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3323182,7.27
+CN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3323105,6.52
+CN1Cc2ccccc2C(c2ccc3n[nH]cc3c2)C1,CHEMBL3323104,7.53
+CN1Cc2ccccc2C(c2ccc3cc[nH]c3c2)C1,CHEMBL3323102,7.7
+Cc1cc2cc(CCC(=O)O)c(O)c(O)c2c(=O)o1,CHEMBL3310034,6.25
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,6.3
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,6.11
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.21
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,5.97
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.55
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.45
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1,CHEMBL3417585,4.99
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1,CHEMBL3417586,5.18
+CCOc1ccc(C2(CC(C)CCNCCCC(N)=O)CCC2)cc1,CHEMBL3704756,6.33
+C[C@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704755,6.9
+C[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704754,9.04
+CC(CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704753,8.82
+CCOc1ccc(C2(C(CC(C)C)NCCOC(=O)CC)CCC2)cc1,CHEMBL3704749,7.09
+CCCC(=O)NCCNC(CC(C)C)C1(c2ccc(OCC)cc2)CCC1,CHEMBL3640036,6.6
+CCOc1ccc(C2(C[C@@H](C)CCNCCCC(N)=O)CCC2)cc1,CHEMBL3704757,6.89
+CCOc1ccc(C2(C[C@H](C)CCNCCCC(N)=O)CCC2)cc1,CHEMBL3704758,5.4
+CCOC(=O)NCCNC(CC(C)C)C1(c2ccc(OCC)cc2)CCC1,CHEMBL3704751,6.8
+CCOC(=O)NCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704750,7.42
+CCCC(=O)NCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704752,7.28
+CCC(=O)OCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,CHEMBL3704748,8.14
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3o2)C1,CHEMBL3663918,7.38
+Cc1ccc(C2CN(C)Cc3ccccc32)s1,CHEMBL3663908,5.65
+Cc1ccc(C2CN(C)Cc3ccccc32)o1,CHEMBL3663909,5.25
+CN1Cc2ccccc2C(c2ccc3sncc3c2)C1,CHEMBL3663920,7.1
+COc1ccc(C2CN(C)Cc3ccccc32)cn1,CHEMBL3663910,5.55
+CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663914,7.45
+CCN1Cc2ccccc2C(c2ccc3c[nH]nc3c2)C1,CHEMBL3663919,6.98
+CN1Cc2cc(-c3cncnc3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663913,7.48
+CN1Cc2ccccc2C(c2cccs2)C1,CHEMBL3663907,5.22
+CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3sccc3c2)C1,CHEMBL3663917,8.07
+CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3s2)C1,CHEMBL3663912,6.92
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.3
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.6
+C=CCN(CC=C)CCc1c[nH]c2ccccc12,CHEMBL3752576,5.9
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,5.5
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,6.1
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.7
diff --git a/chembl_200/CHEMBL240.csv b/chembl_200/CHEMBL240.csv
new file mode 100644
index 0000000000000000000000000000000000000000..99bcb95bd832fd6ac98b641603bd831b478b4c08
--- /dev/null
+++ b/chembl_200/CHEMBL240.csv
@@ -0,0 +1,1131 @@
+N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2F)CC1,CHEMBL22310,4.31
+N[C@H](C(=O)N1CCSC1)C1CCCCC1,CHEMBL23223,4.55
+N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1,CHEMBL22359,5.23
+N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2F)CC1,CHEMBL25437,4.46
+N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,CHEMBL281561,5.22
+N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2F)CC1,CHEMBL283309,4.28
+N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1,CHEMBL278558,4.54
+N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)CC1,CHEMBL283368,4.41
+N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1,CHEMBL277693,4.37
+N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,CHEMBL281178,5.26
+N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1,CHEMBL23110,4.8
+N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,CHEMBL23979,5.24
+N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1,CHEMBL279944,4.38
+N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1,CHEMBL23660,4.72
+N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1,CHEMBL22679,4.4
+N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1,CHEMBL23924,4.14
+N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,CHEMBL423108,5.28
+N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1,CHEMBL23891,4.43
+N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,CHEMBL25211,5.55
+CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,CHEMBL473,8.15
+CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CHEMBL998,4.49
+CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,CHEMBL1008,6.542999999999999
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,5.47
+CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,CHEMBL1107,5.12
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,4.86
+COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,CHEMBL45816,6.585
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.86
+C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,CHEMBL850,4.41
+CN(c1nc(=O)cc[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL94454,5.14
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,5.975
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.32
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,5.0
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,4.58
+CNCCCN1c2ccccc2CCc2ccccc21,CHEMBL72,4.64
+O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1423,7.38
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.12
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,4.84
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,4.44
+CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL914,4.64
+N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1,CHEMBL3084949,4.66
+N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2)CC1,CHEMBL3084953,5.72
+N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1,CHEMBL3084944,4.77
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1,CHEMBL496687,6.96
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1,CHEMBL507898,5.27
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL523585,5.68
+c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1,CHEMBL295559,5.24
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1,CHEMBL497054,5.82
+COC(=O)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F,CHEMBL507727,5.09
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2C2CCCNC2)cc1,CHEMBL296512,5.89
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1,CHEMBL496860,6.3
+c1ccc(CCN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL44310,6.28
+Fc1cccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c12,CHEMBL498729,5.52
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c2c1,CHEMBL504699,5.4
+Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1,CHEMBL523245,5.8
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1,CHEMBL523760,5.6
+c1ccc(CCN2[C@H]3CC[C@@H]2CC(c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1,CHEMBL2113667,7.74
+c1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1,CHEMBL40584,7.1
+CN1CCCC(c2c(-c3ccccc3)[nH]c3ccccc23)C1,CHEMBL43819,5.02
+c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1,CHEMBL46523,6.54
+CN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL43697,5.15
+F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12,CHEMBL498048,5.85
+c1ccc(-c2[nH]c3ccccc3c2C2CCCNC2)cc1,CHEMBL42557,5.31
+O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F,CHEMBL497064,6.03
+COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,CHEMBL74355,5.96
+Fc1ccc(CCN2CCC3(CCc4ccccc4C3)CC2)c(F)c1,CHEMBL150210,7.16
+N#Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL150220,6.25
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+NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL148058,5.89
+N#Cc1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL147048,5.72
+OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL146144,5.92
+O=S(=O)(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL358075,6.15
+O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL83894,6.7
+O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2,CHEMBL146595,6.24
+O=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL148565,5.6
+Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1,CHEMBL147431,6.96
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL146620,5.17
+NC(=O)c1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL146485,5.15
+O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL149429,6.82
+COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL146233,7.7
+N#Cc1ccccc1S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL146998,5.4
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL148280,5.74
+CC(C)(O)c1ccc(C(Cc2ccc[n+]([O-])c2)c2ccc(OC(F)F)c(OC3CC3)c2)cn1,CHEMBL78439,4.36
+CC(C)(O)c1ncc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1,CHEMBL310303,4.23
+[O-][n+]1ccc(CC(c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1,CHEMBL2112296,4.68
+CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cn1,CHEMBL78806,4.6
+CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CC3)c2)cn1,CHEMBL276559,4.48
+[O-][n+]1ccc(CC(c2ccc(OC(F)F)c(OC3CCC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1,CHEMBL2112295,4.42
+CC(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,CHEMBL61191,5.93
+CC(C)(O)c1ccc(C(Cc2ccc(=O)[nH]c2)c2ccc(OC(F)F)c(OC3CC3)c2)cn1,CHEMBL81491,4.25
+[O-][n+]1cccc(C[C@H](c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1,CHEMBL383762,4.41
+CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cc1,CHEMBL2112294,4.65
+CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,CHEMBL417776,4.62
+[O-][n+]1cccc(C[C@@H](c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1,CHEMBL199015,4.21
+CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL177033,5.46
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL366868,5.09
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL176933,5.42
+CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL172854,4.85
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL172090,4.66
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL174457,4.52
+CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL172806,4.96
+CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL174214,5.68
+CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL368204,5.02
+CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL367169,6.0
+CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL176459,5.47
+CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL366871,4.43
+CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1,CHEMBL367700,4.8
+CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL366328,5.25
+CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL172296,5.64
+CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL176426,5.22
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL176571,5.24
+CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,CHEMBL174004,5.52
+CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1,CHEMBL368329,6.4
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCN(C(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL296979,5.92
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCCO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085129,6.14
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL296397,7.37
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085124,5.92
+CC1CCN([C@H]2CC[C@](NC(=O)C(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1,CHEMBL3085128,6.34
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCC(=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL431732,5.4
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCC3(CC2)OCCO3)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL297344,6.0
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCC(O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL298858,5.85
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC3(CC2)CCC(C)(C)O3)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085132,6.02
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC(O)(Cc3ccccc3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085130,6.59
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085127,6.15
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC(C3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085133,6.31
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@H](N2CCC(C3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085131,5.66
+CC(C(=O)NC1(c2ccccc2)CCC(N2CCC(C3CCC(=O)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085126,6.4
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@H](N(C)C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3085125,5.72
+O=S(=O)(c1ccccc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175586,5.61
+O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175832,5.25
+N#Cc1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL368816,5.57
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1F,CHEMBL177807,5.17
+O=S(=O)(c1ccc(Cl)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175544,6.4
+O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177416,6.4
+O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL176109,5.0
+O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL177401,5.82
+C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,CHEMBL189881,5.96
+CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21,CHEMBL368416,6.21
+CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21,CHEMBL368895,7.6
+CN(C)CCCn1nc(C2=C(c3cn(-c4cncc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21,CHEMBL359808,6.31
+CN(C)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21,CHEMBL359486,7.47
+O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12,CHEMBL367106,6.07
+O=C1NC(=O)C(c2nn(CCCN3CCCC3)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12,CHEMBL367107,7.96
+CN1CCN(CCCn2nc(C3=C(c4cn(-c5ccc6ccccc6c5)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,CHEMBL175845,6.54
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,4.99
+CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CHEMBL76,5.12
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,4.7
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,7.07
+COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL319118,5.74
+O=c1[nH]nc(C2CC3(c4ccccc4)NC2CCC3NCc2cc(OC(F)(F)F)ccc2OC2CC2)[nH]1,CHEMBL379010,5.24
+O=C(O)C1CC2(c3ccc(F)cc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1,CHEMBL202568,5.32
+O=S(=O)(NCC1CC2(c3ccc(F)cc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1,CHEMBL202775,6.72
+CS(=O)(=O)NCC1CC2(c3ccc(F)cc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1,CHEMBL382848,6.38
+OCC1CC2(c3ccccc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1,CHEMBL202417,6.57
+FC(F)(F)Oc1ccc(Cl)c(CNC2CCC3CCC2(c2ccccc2)N3)c1,CHEMBL202141,5.85
+FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3CCC2(c2ccccc2)N3)c1,CHEMBL382803,6.44
+COc1ccc(OC(F)(F)F)cc1CNC1CCC2CCC1(c1ccccc1)N2,CHEMBL201362,6.62
+CN(C)[C@H]1CC[C@](c2ccccc2)(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)CC1,CHEMBL203700,6.01
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCN(c3ccccc3)C(=O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL380408,5.43
+CC(C(=O)N[C@]1(c2ccccc2)CC[C@@H](N2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381390,6.1
+COC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@]2(c3ccccc3)CC[C@@H](N3CCC4(CCOC4)CC3)CC2)C1=O,CHEMBL382331,6.02
+CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccc4Cl)C(=O)C3)CC2)C1=O,CHEMBL381984,5.52
+CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccc4)C(=O)C3)CC2)C1=O,CHEMBL383048,5.71
+CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@]2(c3ccccc3)CC[C@@H](N3CCC4(CCOC4)CC3)CC2)C1=O,CHEMBL379224,6.44
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+O=C1CN([C@H]2CC[C@](c3ccccc3)(N3CCCC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC2)CCN1c1ccccc1,CHEMBL380651,5.19
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+O=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@]1(c2ccccc2)CC[C@@H](N2CCC3(CCOC3)CC2)CC1,CHEMBL381362,6.1
+O=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@]1(c2ccccc2)CC[C@@H](N2CCC3(CCOC3)CC2)CC1,CHEMBL202439,6.49
+FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1,CHEMBL380351,6.52
+C[C@@H](OC1CCC2NC1(c1ccccc1)CC2c1nnnn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL204573,5.55
+C[C@@H](OC1CCC2NC1(c1ccccc1)CC2c1nnn(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381965,5.74
+Cn1nnnc1C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206983,5.9
+Cn1nnc(C2CC3(c4ccccc4)NC2CCC3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1,CHEMBL380684,7.0
+C[C@@H](OC1CCC2NC1(c1ccccc1)CC2S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381555,5.71
+O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL379152,5.89
+COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)N=C(N)N,CHEMBL413931,5.5
+COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1,CHEMBL205912,6.08
+COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCNCC3)CC2)c1,CHEMBL205447,6.1
+O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2[nH]1,CHEMBL208028,6.95
+Cn1c(=O)nc(NC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc21,CHEMBL448110,6.39
+O=c1nc(NC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F,CHEMBL205493,6.92
+CCCCCn1c(=O)nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21,CHEMBL205760,6.87
+O=c1nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1CC(F)(F)F,CHEMBL205492,6.35
+O=c1nc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1CC(F)(F)F,CHEMBL204508,6.82
+Cn1c(=O)nc(NC2CCN(Cc3ccc4ncccc4c3)CC2)c2cc(Cl)ccc21,CHEMBL207308,5.76
+Cn1c(=O)nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21,CHEMBL207668,6.82
+Cn1c(=O)nc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc21,CHEMBL207296,6.8
+COC(=O)c1c(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n(C)c1=O,CHEMBL205741,5.84
+N#Cc1c(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL424865,6.38
+O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1Cc1ccccn1,CHEMBL206314,6.26
+O=c1cc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1Cc1ccccn1,CHEMBL377084,7.06
+O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1Cc1ccncc1,CHEMBL208473,6.45
+O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1Cc1ccccc1,CHEMBL436953,6.55
+Cn1c(=O)cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)(F)F)ccc21,CHEMBL210273,5.74
+COc1ccc2c(c1)c(NC1CCN(Cc3ccc4c(c3)OCO4)CC1)cc(=O)n2C,CHEMBL207300,6.11
+Cn1c(=O)cc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc21,CHEMBL206953,6.67
+Cn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21,CHEMBL377884,7.52
+C[C@@H](O[C@H]1CCn2ccnc2C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL380388,5.85
+C[C@@H](O[C@H]1CCc2nccn2C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL210630,5.74
+C[C@H]1[C@H](c2ccc(F)cc2)[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(=O)N1C,CHEMBL209240,5.17
+C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CN(C)C1=O,CHEMBL378663,5.27
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+C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CC(=O)N1,CHEMBL209407,5.07
+O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL207850,5.31
+N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cccc12,CHEMBL207566,5.9
+CNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1,CHEMBL425518,6.7
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Sc3ccccc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL221703,7.05
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL384880,6.0
+CC(=N)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C(=N)N)cc4c3)S(C)(=O)=O)cc2)CC1,CHEMBL152069,5.41
+C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL286915,6.28
+Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCC3)cc2)n(-c2cc3ccccc3cc2C#N)n1,CHEMBL220704,6.06
+CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1Cc1ccc(C(=N)N(C)C)cc1,CHEMBL386839,7.15
+CN1CCN=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2CC(=O)N2CCOCC2)cc1,CHEMBL65219,6.22
+CCOC(=O)C1CCN(c2cc(C(=N)N(C)C)ccc2C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)CC1,CHEMBL376911,6.22
+COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2N2CCCCC2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL219106,6.7
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCC(C(=O)O)C2)c1,CHEMBL218038,5.8
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCCC2)c1,CHEMBL218609,6.85
+CN(CCCC(=O)O)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL220807,5.85
+CN(CC(=O)O)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL220755,5.85
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL221906,6.98
+CCOC(=O)C1CCN(C(=N)c2ccc(C(=O)Nc3c(OC)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c(F)c2)CC1,CHEMBL221746,7.29
+CCOC(=O)C1CCN(C(=N)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1,CHEMBL218074,7.77
+CCOC(=O)C1CCCN(C(=N)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)C1,CHEMBL218735,7.8
+CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL221178,6.01
+COC(=O)CCc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL220757,6.1
+COC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=N)N(C)C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)cc1,CHEMBL218127,6.24
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Sc3ccc(C(=O)O)cc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL218528,5.34
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Sc3ccc(C(=O)N(C)C)cc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL221756,6.43
+COC(=O)c1ccc(Sc2ccc(NC(=O)c3ccc(C(=N)N(C)C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)cc1,CHEMBL221921,7.15
+COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL385738,7.05
+COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1,CHEMBL375419,5.7
+COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1,CHEMBL375222,5.09
+COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL221444,5.1
+COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL222072,6.28
+COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL222078,5.6
+COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL374307,6.28
+COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL221238,6.29
+COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL220963,5.19
+COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL221237,5.74
+COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL218639,6.06
+COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL374438,6.49
+COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL221299,6.08
+COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL221077,5.31
+COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL426714,5.52
+COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL218321,5.05
+CCC1(CN)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)C1,CHEMBL388488,4.35
+Cc1c(N2CC[C@@H]([C@H](C)NCCC#N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL230813,4.14
+Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL230812,4.29
+COc1c(N2CC[C@@H]([C@H](C)N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL230704,4.21
+COc1c(N2CC[C@@H](CN)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL387838,4.19
+COc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL230598,4.07
+COc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL231315,4.62
+Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1,CHEMBL536480,7.72
+CN(C)c1ccc2c(c1)Cc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)ccc21,CHEMBL375021,7.05
+CS(=O)(=O)Nc1ccc(CCN(CCCCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Cc3cc(O)ccc32)CCOc2ccc(NS(C)(=O)=O)cc2)cc1,CHEMBL375516,7.82
+CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CCCCCC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL226704,8.0
+CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CCC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL415005,7.72
+CC1(C)C2=C3CC4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL227000,8.15
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+CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL390302,7.74
+CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL227169,6.8
+CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)O)cc1C5(C)C,CHEMBL375019,5.14
+CCN1CCCc2cc3c(cc21)OC1=CC2=[N+](CCCC(=O)N(CCOc4ccc(NS(C)(=O)=O)cc4)CCc4ccc(NS(C)(=O)=O)cc4)CCCC2=CC1N3,CHEMBL390301,8.44
+CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)C(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1,CHEMBL390300,6.01
+CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])c3nonc23)cc1,CHEMBL227134,9.41
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL85606,6.2
+CN1CCN(c2cccc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc23)CC1,CHEMBL392586,5.89
+OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1,CHEMBL239603,6.602
+CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)C1CCN(C2CC(C)C(C)C2)C1,CHEMBL392350,6.65
+OCC1CCCN(CCCC2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1,CHEMBL239605,6.39
+OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1,CHEMBL394236,5.89
+OCC1(NCCCC2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CCCC1,CHEMBL393169,6.28
+OCC1(N2CCN(C3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1,CHEMBL239601,6.15
+Fc1ccccc1-c1nc(COc2ccc3c(c2)C(N2CCN(C4CCCC4)CC2)CC3)no1,CHEMBL393168,6.16
+OCC1(N2CCN(C3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1,CHEMBL392770,6.69
+CC1CC(N2CCN(C3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CC1C,CHEMBL239598,6.58
+CC(C)N1CCN(C2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CC1,CHEMBL239596,7.01
+O=S(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1,CHEMBL240887,5.372999999999999
+O=S(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL240886,5.41
+O=S(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F,CHEMBL395459,5.54
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1,CHEMBL1162962,5.05
+COc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240878,5.85
+O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F,CHEMBL240877,5.85
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F,CHEMBL240876,5.68
+N#Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL395458,5.82
+Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1,CHEMBL240680,5.3
+O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2Cl)nc1)c1ccccc1F,CHEMBL397112,5.32
+O=S(=O)(c1ccc(/C=C/c2ccncc2)nc1)c1ccccc1F,CHEMBL240864,5.38
+O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1,CHEMBL240841,5.02
+O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1,CHEMBL240840,5.48
+O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1,CHEMBL240839,5.09
+O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1,CHEMBL240246,5.16
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F,CHEMBL252816,7.0
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1,CHEMBL252430,6.69
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1,CHEMBL252429,6.87
+CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL398525,6.66
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1,CHEMBL252230,6.86
+CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252228,6.57
+CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252031,6.74
+CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252030,5.66
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,CHEMBL398711,6.84
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1,CHEMBL251834,6.82
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1,CHEMBL398744,7.46
+O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252201,6.29
+O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253878,6.7
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1,CHEMBL398619,6.45
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1,CHEMBL442290,7.11
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1,CHEMBL253439,6.78
+Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1,CHEMBL398618,6.71
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1,CHEMBL253233,6.57
+CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400236,6.56
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1,CHEMBL253024,7.46
+CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400235,6.71
+CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253022,6.79
+CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252818,6.05
+NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL404000,6.21
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CCN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256755,6.74
+CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C,CHEMBL258060,5.14
+CNCc1cc(N2CCCS2(=O)=O)ccc1Oc1ccc(Cl)cc1C,CHEMBL403090,5.8
+CNCc1cc(C(=O)N(C)C)ccc1Oc1ccc(Cl)cc1C,CHEMBL272493,5.43
+CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)cc1C,CHEMBL401819,5.41
+CNCc1cc(N2CCCS2(=O)=O)ccc1Oc1ccc(Cl)cc1Cl,CHEMBL438889,5.81
+CNCc1cc(C(=O)NC)ccc1Oc1ccc(Cl)cc1Cl,CHEMBL404754,5.76
+CNCc1cc(C#N)ccc1Oc1ccc(Cl)cc1Cl,CHEMBL258063,5.66
+CNCc1ccccc1Oc1ccc(Cl)cc1F,CHEMBL407815,5.23
+CNCc1ccccc1Oc1ccc(Cl)cc1OC,CHEMBL256818,5.36
+CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1,CHEMBL273208,5.24
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,5.48
+CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL476116,5.55
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478834,5.55
+Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc1,CHEMBL487346,4.52
+Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1,CHEMBL486737,4.55
+Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1,CHEMBL520050,4.73
+Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNCc2ccccc23)nc1,CHEMBL486738,5.75
+Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1,CHEMBL499776,4.67
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1,CHEMBL513568,6.1
+Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1,CHEMBL511797,5.92
+Cn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CCNC5)CC4)nc3)c2)cn1,CHEMBL470156,4.72
+Cn1cnc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CCNC5)CC4)nc3)c2)c1,CHEMBL472252,5.01
+CC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1,CHEMBL471414,5.01
+CCNC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1,CHEMBL470581,6.34
+CS(=O)(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1,CHEMBL470582,5.28
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CCN(c2ncccn2)C3)nc1,CHEMBL470798,6.12
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCN(CC(F)(F)F)C3)CC2)nc1,CHEMBL472261,5.72
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCN(CCO)C3)CC2)nc1,CHEMBL513250,6.77
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCN(CC(=O)O)C3)CC2)nc1,CHEMBL471219,5.49
+NC(=O)CN1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1,CHEMBL471220,7.01
+CC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1,CHEMBL472442,5.55
+CC(=O)N1CC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1,CHEMBL472443,5.2
+CC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1,CHEMBL471399,5.42
+CC(=O)N1CCCC12CCN(c1ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn1)CC2,CHEMBL471400,4.78
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1,CHEMBL511625,4.99
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCCC3O)CC2)nc1,CHEMBL470148,5.03
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3=O)CC2)nc1,CHEMBL469514,5.06
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1,CHEMBL470791,4.96
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)C3)nc1,CHEMBL511984,5.06
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)NC(=O)NC3=O)nc1,CHEMBL513027,5.04
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)NCNC3=O)nc1,CHEMBL469950,5.12
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc1,CHEMBL521193,5.2
+Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1,CHEMBL486152,4.84
+Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1,CHEMBL471824,6.23
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL495698,7.15
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCOCC2)cc1,CHEMBL522894,7.21
+CC(C)[C@@H]1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1,CHEMBL521566,7.59
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1,CHEMBL496523,7.38
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL524467,7.03
+OC1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL526450,7.8
+COC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL497575,7.31
+COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL512351,5.74
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1,CHEMBL472967,6.38
+COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL515919,5.68
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL490417,7.2
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL522257,6.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL513715,5.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469345,5.4
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5)CC3)cccc2n1,CHEMBL512724,7.0
+Cc1ccc2c(N3CCN(CCc4ccc5c(c4)OCC(=O)N5C)CC3)cccc2n1,CHEMBL472289,5.5
+CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21,CHEMBL472290,5.1
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C(C)C)CC3)cccc2n1,CHEMBL469567,5.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C4CC4)CC3)cccc2n1,CHEMBL469568,5.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC4CC4)CC3)cccc2n1,CHEMBL469995,5.8
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5CC(F)F)CC3)cccc2n1,CHEMBL511279,6.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL511815,5.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1,CHEMBL471047,4.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469374,5.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL513875,5.5
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cccc2n1,CHEMBL469375,5.3
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1,CHEMBL469376,5.2
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1,CHEMBL469589,5.2
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1,CHEMBL470217,5.5
+Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,CHEMBL470849,6.2
+CN1CCC(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)CC1,CHEMBL450660,5.99
+Cc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)ccc1OCc1cccc(Cl)c1,CHEMBL480226,7.62
+CN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1=O,CHEMBL480844,7.43
+c1ccc(-c2[nH]c3ccccc3c2C2CC3CCC(C2)N3)cc1,CHEMBL501295,7.74
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,6.067
+COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3,CHEMBL495573,6.59
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,6.68
+Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL522044,6.8
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,6.03
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,6.7
+N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL497604,6.41
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL462508,6.7
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,6.52
+COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3,CHEMBL461023,5.74
+c1ccc2cc(CO[C@H]3CCNC3)ccc2c1,CHEMBL445794,4.8
+c1ccc2cc(CO[C@@H]3CCNC3)ccc2c1,CHEMBL469809,4.79
+N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1,CHEMBL469810,5.35
+Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1,CHEMBL469811,4.99
+CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1,CHEMBL512665,6.15
+CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1,CHEMBL513367,6.39
+c1ccc2cc(OCC3CCNCC3)ccc2c1,CHEMBL453996,5.42
+N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1,CHEMBL444985,5.46
+Fc1ccc2cc(CCN3CCNCC3)ccc2c1,CHEMBL465515,5.07
+Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12,CHEMBL443090,5.0
+Nc1ccnc(N2CCC(C(=O)Nc3ccc4ccccc4n3)(c3ccccc3)CC2)c1,CHEMBL521830,7.77
+Nc1ccnc(N2CCC3(CC2)OC(c2ccccc2)c2ccccc23)c1,CHEMBL492553,7.74
+Nc1ccnc(N2CCC(C(=O)N3CCc4ccccc4C3)(c3ccccc3)CC2)c1,CHEMBL493744,7.46
+COc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)c(OC)c1,CHEMBL495346,7.09
+CCOC(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)CC1,CHEMBL493743,6.77
+COc1ccc(CNC(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1,CHEMBL495345,6.7
+COc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1Cl,CHEMBL492330,6.46
+Nc1ccnc(N2CCC(n3c(=O)n(Cc4ccccc4)c4cccnc43)CC2)c1,CHEMBL493973,6.29
+Nc1ccnc(N2CCC(NC(=O)c3ccccn3)(c3ccccc3)CC2)c1,CHEMBL522317,6.26
+Nc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1,CHEMBL523504,6.13
+COc1ccc(-n2c(=O)n(C3CCN(c4cc(N)ccn4)CC3)c3ncccc32)cc1,CHEMBL493972,6.06
+Nc1ccnc(N2CCC(n3c(=O)n(-c4ccccc4)c4cccnc43)CC2)c1,CHEMBL522854,6.04
+COc1cccc(C2(C)CN(c3cc(N)ccn3)C2)c1,CHEMBL492909,5.74
+CN(C)C(=O)[C@H]1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21,CHEMBL492908,5.33
+COc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1,CHEMBL493515,5.3
+COc1cccc(C(=O)N(c2ccccn2)C2CCN(c3cc(N)ccn3)CC2)c1,CHEMBL493517,5.01
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccc(Cl)cc2)C1,CHEMBL523521,5.68
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)CC1,CHEMBL492301,5.54
+CN(CC1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2,CHEMBL492556,5.52
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccccc2Cl)C1,CHEMBL524171,5.47
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC[C@@H](Oc2ccccc2Cl)C1,CHEMBL448971,5.46
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1,CHEMBL493757,5.43
+O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC[C@H](Oc2ccccc2Cl)C1,CHEMBL492557,5.28
+CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL563998,6.55
+C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O,CHEMBL538137,4.7
+COC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O,CHEMBL538877,4.41
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)[C@H](Cc5cccc(F)c5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL556229,6.62
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cccc(F)c5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL562471,7.54
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cc(F)cc(F)c5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL556431,7.34
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5ccccc5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL560935,6.65
+C/C=C1\C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O,CHEMBL557116,5.09
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5ccncc5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL556848,6.49
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cccnc5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL562780,5.44
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cncnc5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL551269,5.03
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cnc(C6CC6)nc5)[C@@H]4O)[C@@H]3CC[C@@H]12,CHEMBL551270,5.33
+COc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1,CHEMBL559878,5.1
+Cc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1,CHEMBL549375,4.82
+CNc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1,CHEMBL563597,4.65
+CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL550818,7.74
+Cc1cnn(C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1,CHEMBL556450,5.41
+Fc1ccc(Cn2c(N3CCC(n4cccn4)CC3)nc3ccccc32)cc1,CHEMBL551347,5.45
+Fc1ccc(Cn2c(N3CCC(n4ccnc4)CC3)nc3ccccc32)cc1,CHEMBL556449,6.86
+Fc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1,CHEMBL558339,6.8
+CN(C)CCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL559061,6.11
+COc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL563055,5.84
+Fc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL559060,6.37
+CN(CCO)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL557210,6.94
+COCCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL550337,7.4
+COc1ccc(Cn2c(N3CCC(N(C)CC4CCOCC4)CC3)nc3ccccc32)cc1,CHEMBL558663,6.99
+COc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,CHEMBL558468,6.8
+Cc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,CHEMBL563451,7.14
+CN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,CHEMBL558467,7.24
+COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1,CHEMBL568138,6.7
+COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,CHEMBL566685,5.8
+CCCN(C(=O)c1ccc2ccccc2c1)C1CCNCC1,CHEMBL565638,4.9
+CC(C)CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCNC1,CHEMBL577283,5.15
+CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1,CHEMBL566576,5.38
+Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12,CHEMBL576821,5.8
+CS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1,CHEMBL568350,5.49
+CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1,CHEMBL567943,4.96
+CCC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1,CHEMBL567288,4.92
+CC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1,CHEMBL577497,5.1
+N#Cc1cccc2c1C(=O)Nc1ncc(-c3ccccc3)cc1C2,CHEMBL585530,6.37
+CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1,CHEMBL595318,5.34
+CS(=O)(=O)Nc1ccc(CCCNCCNc2ccc(Cl)c(Cl)c2)cc1,CHEMBL594615,7.85
+CS(=O)(=O)Nc1ccc(OCCNCCNc2ccc(Cl)c(Cl)c2)cc1,CHEMBL596046,6.52
+CS(=O)(=O)Nc1ccc(CCC(=O)NC/C=C/c2ccc(Cl)c(Cl)c2)cc1,CHEMBL609857,5.52
+Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CC(C)(C)O)C[C@@H]3C2)c1,CHEMBL605744,5.42
+Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CC(O)c4ccccc4)C[C@@H]3C2)c1,CHEMBL597033,6.75
+Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CCC(F)(F)F)C[C@@H]3C2)c1,CHEMBL597032,5.34
+CCN1C[C@H]2C[C@@H](N(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)C[C@H]2C1,CHEMBL604805,5.68
+CN1C[C@H]2C[C@@H](N(Cc3ccc(F)c(OC4CCCC4)c3)C(=O)c3cn(C)cn3)C[C@H]2C1,CHEMBL599482,5.31
+CN1C[C@H]2C[C@@H](N(Cc3ccc(F)c(C(F)(F)F)c3)C(=O)c3cn(C)cn3)C[C@H]2C1,CHEMBL603695,5.68
+CCN1C[C@H]2C[C@@H](N(Cc3ccc(F)c(C(F)(F)F)c3)C(=O)c3cn(C)cn3)C[C@H]2C1,CHEMBL599480,5.35
+CN1C[C@H]2C[C@@H](N(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)C[C@H]2C1,CHEMBL598659,5.59
+Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL596700,5.78
+Cn1cnc(C(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL596699,5.48
+Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CC[C@@H](N)CC2)c1,CHEMBL3217125,5.42
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,4.9
+N#Cc1nc(CCCN2CCCCC2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1084400,6.8
+CCC(CC)NCCCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1084401,6.49
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080485,5.38
+CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL391487,7.25
+C[C@H]1CN(C(=O)[C@H]2CN(c3cccnc3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1089104,8.29
+C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1089103,8.33
+C[C@H]1CN(C(=O)[C@H]2CN(C3CCC3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1092571,8.23
+C[C@H]1CN(C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1092209,8.18
+C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1,CHEMBL1089830,8.23
+C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1c(F)cccc1F,CHEMBL1092550,8.3
+C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1,CHEMBL1204061,8.1
+C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12,CHEMBL1091774,5.96
+C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12,CHEMBL1091775,9.14
+CC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1091790,5.74
+C[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12,CHEMBL1092495,5.6
+Cc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1,CHEMBL1092600,6.05
+CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1,CHEMBL1092259,5.85
+CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1,CHEMBL1092649,6.02
+COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21,CHEMBL1092650,5.89
+Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1,CHEMBL1092663,5.29
+CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1,CHEMBL1092652,6.42
+C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1,CHEMBL1090527,5.92
+CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccccn2)C1,CHEMBL1095200,4.99
+CN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1094549,5.19
+CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1095819,5.41
+Cc1csc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)n1,CHEMBL1095511,5.93
+COc1ccc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1,CHEMBL1094851,5.74
+COc1ccc(Cn2c(C3CCCN(C(C)C)C3)nc3ccccc32)cc1,CHEMBL1095364,5.58
+Fc1ccc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1,CHEMBL1094525,6.03
+CC(C)N1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,CHEMBL1098766,5.86
+CN1CCCC(c2nc3ccccc3n2CC2CCCO2)C1,CHEMBL1098125,6.2
+CCOCCn1c(C2CCCN(C)C2)nc2ccccc21,CHEMBL1095031,5.9
+CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,CHEMBL1094510,5.255
+O=C1NCc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)cc2N1c1c(Cl)cccc1Cl,CHEMBL94417,6.06
+Nc1cc2c(ccc(=O)n2-c2c(F)cccc2F)c(-c2ccc(F)cc2F)n1,CHEMBL219804,5.29
+O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1,CHEMBL1082773,5.36
+NC(=O)c1ccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)cc1,CHEMBL1082467,5.1
+CC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084721,5.4
+C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1,CHEMBL1084976,5.08
+CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1,CHEMBL1084583,5.38
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc[nH]n3)ccc2c1,CHEMBL1084581,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn[nH]c3)ccc2c1,CHEMBL1084582,5.0
+Cc1[nH]ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084314,5.36
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C,CHEMBL1084827,5.0
+Cc1nn(C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL442242,5.21
+Cc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084826,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1,CHEMBL1085326,5.68
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1,CHEMBL1085572,5.92
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1,CHEMBL1085829,6.21
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1,CHEMBL1085828,5.0
+COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082489,5.25
+Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL237191,5.59
+Cc1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nc(-c2ccccc2)n1,CHEMBL1082488,7.52
+CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1,CHEMBL1085337,5.25
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1,CHEMBL1085336,6.16
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1,CHEMBL1086514,5.3
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1,CHEMBL1086513,6.47
+Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086292,6.03
+Cc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085592,5.1
+Cc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086561,5.29
+Cc1nc(-c2ccccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085866,5.55
+Cc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1082606,5.82
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nnn1-c1ccc(F)cc1F,CHEMBL1086098,6.14
+Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085641,6.36
+Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085396,6.4
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1,CHEMBL1085397,5.82
+Cc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085398,5.8
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1,CHEMBL1083562,6.32
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12,CHEMBL1085142,6.37
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12,CHEMBL1084383,6.15
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1,CHEMBL1084384,5.0
+Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084385,5.7
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1,CHEMBL1083447,5.68
+Cc1nc2ncccc2cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL263101,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4c(c3)COCO4)ccc2c1,CHEMBL1083448,6.04
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1,CHEMBL1086315,6.32
+CCOC(=N)c1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1086534,5.92
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccccn3)ccc2c1,CHEMBL1082496,5.35
+Cc1nc(-c2ccncc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085841,5.92
+Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1,CHEMBL1086072,5.51
+Cc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1,CHEMBL1086073,6.15
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1,CHEMBL1086074,5.0
+Cc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1,CHEMBL392573,5.66
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1,CHEMBL1084616,5.28
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL351231,6.4
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL1085800,6.11
+C[C@@H]1CCCN1CCc1ccc2ncccc2c1,CHEMBL1086032,5.0
+Cc1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086033,4.27
+C[C@@H]1CCCN1CCc1ccc2nc(C3CC3)ccc2c1,CHEMBL1086034,4.96
+C[C@@H]1CCCN1CCc1ccc2nc(C(C)(C)C)ccc2c1,CHEMBL1085325,5.77
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1,CHEMBL1086521,5.54
+C[C@@H]1CCCN1CCc1ccc2nc(C3=NCCS3)ccc2c1,CHEMBL1085591,5.2
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1084559,5.29
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ccc2c1,CHEMBL1084560,5.52
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1,CHEMBL1083406,5.16
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1,CHEMBL1083407,6.06
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082781,5.18
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1,CHEMBL1082447,5.3
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N,CHEMBL1085560,5.68
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O,CHEMBL1085782,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(C(F)(F)F)[nH]ccc3=O)ccc2c1,CHEMBL1085783,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnccn3)ccc2c1,CHEMBL1085964,5.21
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1,CHEMBL1084294,5.29
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccccc4)n3)ccc2c1,CHEMBL1084878,6.4
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)ccc2c1,CHEMBL1084879,6.42
+Cc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1,CHEMBL1085124,6.3
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1,CHEMBL1083463,6.82
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccccn1,CHEMBL393581,5.3
+Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1,CHEMBL1084877,5.38
+CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1,CHEMBL237394,5.59
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(N(C)C)nn1,CHEMBL1083462,5.35
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1,CHEMBL1083274,5.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1,CHEMBL1086520,6.66
+CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084584,5.82
+COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCNCC3)c3ccccc32)c2ccccc12,CHEMBL1084215,5.9
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3occc3c2)nn1,CHEMBL1083301,8.06
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)nn1,CHEMBL1083302,8.74
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)nn1,CHEMBL1083304,7.68
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1,CHEMBL1083614,8.66
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3cc[nH]c3c2)nn1,CHEMBL1083615,7.92
+Cc1cc2cc(-c3ccc(N4C[C@@H]5C[C@H]4CN5C)nn3)ccc2[nH]1,CHEMBL1083616,7.92
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccccc2)cn1,CHEMBL1083617,7.59
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3occc3c2)cn1,CHEMBL1084021,8.28
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3sccc3c2)cn1,CHEMBL1084022,8.92
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1082466,7.85
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1082786,8.72
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3cc[nH]c3c2)cn1,CHEMBL1086506,8.05
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccccc2)cn1,CHEMBL1085581,7.66
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3occc3c2)cn1,CHEMBL1085805,8.89
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3sccc3c2)cn1,CHEMBL1085806,9.25
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1086524,8.37
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1086525,8.73
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2cccc3[nH]ccc23)cn1,CHEMBL1085599,7.89
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)cn1,CHEMBL1085824,8.0
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3occc3c2)cn1,CHEMBL1085089,8.57
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)cn1,CHEMBL1085090,9.26
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3n[nH]cc3c2)cn1,CHEMBL1085091,7.34
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1086480,7.96
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1086481,8.7
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)cn1,CHEMBL1085778,7.49
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3cc[nH]c3c2)cn1,CHEMBL1085779,8.54
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1,CHEMBL1172205,5.1
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1,CHEMBL1172204,5.66
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1,CHEMBL1172206,5.62
+Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1171823,6.52
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL1171646,4.89
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)n1,CHEMBL1171824,5.19
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL1172734,5.42
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL1173017,5.42
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL1173018,5.06
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1,CHEMBL1173077,5.39
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1,CHEMBL1173142,6.05
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1173143,5.92
+c1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209070,5.67
+Oc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209124,5.8
+Fc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,CHEMBL1209126,5.75
+CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL244347,7.08
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1,CHEMBL1242904,5.8
+Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241547,6.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1,CHEMBL1241548,6.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C(F)(F)F)cn4-5)CC3)cccc2n1,CHEMBL1241641,7.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4cncn4-5)CC3)cccc2n1,CHEMBL1241642,6.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnc(C)n4-5)CC3)cccc2n1,CHEMBL1241738,4.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C)nnn4-5)CC3)cccc2n1,CHEMBL1241546,5.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1,CHEMBL1241639,6.3
+CCOC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241640,5.1
+CC(=O)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241736,5.2
+CO/N=C(\C)c1ncn2c1COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2,CHEMBL1241737,5.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241824,5.4
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C#N)ncn4-5)CC3)cccc2n1,CHEMBL1241825,6.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,4.5
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC(C)C)ncn4-5)CC3)cccc2n1,CHEMBL1241998,5.6
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242081,6.2
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242167,6.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NC6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242257,6.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)NCC6CC6)ncn4-5)CC3)cccc2n1,CHEMBL1242345,6.7
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242436,6.3
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242533,5.9
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242623,6.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1,CHEMBL1242717,4.5
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1258880,6.36
+c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258312,6.11
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257145,6.04
+Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258426,6.03
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21,CHEMBL1257144,6.01
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258761,5.89
+c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1,CHEMBL1258425,5.81
+Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1,CHEMBL1258532,5.77
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258647,5.73
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21,CHEMBL1257261,5.73
+O=C1NCc2ccc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21,CHEMBL1258879,5.69
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21,CHEMBL1258533,5.55
+O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21,CHEMBL1258648,5.44
+N#Cc1nc(CCCN2CCCCC2)cc(C2CCCCCC2)n1,CHEMBL1084403,6.15
+CCCc1cc(-c2cc(C(=O)N(C)CCN(C)C)cc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1271070,6.15
+CCCc1cc(-c2cc(C(=O)N(CCN(C)C)Cc3ccccc3)cc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1234898,6.92
+CCCc1cc(-c2cc(C(=O)N(C)Cc3ccccc3)cc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1271174,6.43
+N#Cc1nc(CCCO)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1271273,4.51
+CCC(CC)NC(=O)CCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1271275,5.5
+CNCCCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1271380,6.2
+N#Cc1nc(CCCNCC(F)(F)F)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1269847,6.3
+CN1CCN(CCCc2cc(-c3cccc(C(F)(F)F)c3)nc(C#N)n2)CC1,CHEMBL1269848,6.0
+N#Cc1nc(CCCN2CCOCC2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1269955,6.49
+COCCNCCCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1,CHEMBL1269956,6.25
+N#Cc1nc(CCCN2CCC(O)CC2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1270062,5.95
+N#Cc1nc(CCCNc2ccccn2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1270063,6.4
+N#Cc1nc(CCCNCC(N)=O)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1270268,5.4
+CC(C)(NCCCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1)C(N)=O,CHEMBL1270269,5.51
+N#Cc1nc(CCCNC2(C(N)=O)CC2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1270366,5.8
+N#Cc1nc(CCCNC2(C(N)=O)CCC2)cc(-c2cccc(C(F)(F)F)c2)n1,CHEMBL1270367,5.6
+N=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1,CHEMBL473772,6.7
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)OC)sc3c2)nn1)C(F)(F)F,CHEMBL1290649,5.2
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(CO)sc3c2)nn1)C(F)(F)F,CHEMBL1289093,4.89
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)(C)O)sc3c2)nn1)C(F)(F)F,CHEMBL1289094,5.59
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)O)sc3c2)nn1)C(F)(F)F,CHEMBL1289214,5.42
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289215,5.36
+CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289446,4.77
+CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289447,4.8
+CC[C@](O)(c1cn(Cc2ccc3c(-c4cccc(F)c4)c(C(N)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289557,4.85
+CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289558,4.89
+CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F,CHEMBL1289664,4.96
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,7.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1,CHEMBL1632218,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,6.3
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.2
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,5.7
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,5.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,4.9
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643773,4.46
+c1ccc(-c2cccc(O[C@H]3C[C@@H]4CC[C@H](C3)N4)n2)cc1,CHEMBL1644470,8.89
+N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(-c2ccccc2)c1,CHEMBL1644605,6.92
+N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1,CHEMBL1644609,5.15
+N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ncccc2C#N)c1,CHEMBL1644612,5.42
+N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ccccn2)c1,CHEMBL1644611,5.79
+Nc1nccc2cc(CNCCc3ccccc3)ccc12,CHEMBL1643361,5.5
+Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12,CHEMBL1643574,6.1
+Nc1nccc2cc(O[C@H]3CCCNC3)ccc12,CHEMBL1643368,4.7
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,4.6
+C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1,CHEMBL559147,4.1
+O=c1[nH]ccc2c(S(=O)(=O)N3CCCNCC3)cccc12,CHEMBL1233300,5.1
+OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1,CHEMBL1650844,5.43
+CC(C)(C)Cc1cnc(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)[nH]1,CHEMBL1672351,5.23
+CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1,CHEMBL1672352,5.38
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,5.74
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.1
+CN(CC(N)=O)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1,CHEMBL1682272,4.5
+CCc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12,CHEMBL1762799,6.0
+CCc1cccc2c(-c3nc(CN(CC)CC)cs3)cn(CC3CCOCC3)c12,CHEMBL1762800,5.9
+Fc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12,CHEMBL1762801,5.8
+CCN(CC)Cc1csc(-c2cn(CC3CCOCC3)c3c(F)cccc23)n1,CHEMBL1762802,6.1
+Clc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12,CHEMBL1762803,6.1
+CCN(CC)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1760028,6.2
+COCCN(C)Cc1csc(-c2cn(CC3CCCCC3)c3c(Cl)cccc23)n1,CHEMBL1762804,6.6
+COCCN(C)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1762805,6.0
+CN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1762806,5.7
+CCN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1762807,6.1
+CC(C)N(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1762808,6.0
+OC1CCN(Cc2csc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)n2)CC1,CHEMBL1762809,5.6
+COC1CCN(Cc2csc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)n2)CC1,CHEMBL1762810,5.8
+Clc1cccc2c(-c3nc(CN4CCOCC4)cs3)cn(CC3CCOCC3)c12,CHEMBL1762811,5.4
+OCCN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1,CHEMBL1762812,5.6
+CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(C)CCO,CHEMBL1762813,6.2
+CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(CC)CCO,CHEMBL1762814,6.5
+CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(CCO)C(C)C,CHEMBL1762815,6.6
+CC(C)N(CCO)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)sc1Cl,CHEMBL1762816,6.2
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(CC#N)CC2)c1,CHEMBL1761518,7.22
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCN(C)C)c1,CHEMBL1761520,6.74
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCCNS(C)(=O)=O)c1,CHEMBL1761521,7.1
+CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1,CHEMBL1761522,6.82
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1,CHEMBL1761523,6.89
+CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1,CHEMBL1761524,7.1
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)O)c1,CHEMBL1761525,5.97
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)OCC(=O)N(C)C)c1,CHEMBL1761526,6.7
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)OCOC(=O)C(C)(C)C)c1,CHEMBL1761528,7.4
+COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OCc3oc(=O)oc3C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)O)c1,CHEMBL1761529,5.43
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(CC(=O)O)CC2)c1,CHEMBL1761530,6.0
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)C(=O)O)c1,CHEMBL1761531,6.22
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCC(C)(C)C(=O)O)c1,CHEMBL1761532,6.4
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCCC(C)(C)C(=O)O)c1,CHEMBL1761533,6.7
+CCC(CC)(CCOc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1)C(=O)O,CHEMBL1761534,6.4
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCC2(C(=O)O)CCCC2)c1,CHEMBL1761535,6.3
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC[C@](C)(OC)C(=O)O)c1,CHEMBL1761536,5.64
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)NS(C)(=O)=O)c1,CHEMBL1761673,6.3
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(Cc3nn[nH]n3)CC2)c1,CHEMBL1761674,6.3
+CC(C)NCc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1,CHEMBL1761688,5.2
+O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNCC1CC1,CHEMBL1761694,5.3
+O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNCC1CCC1,CHEMBL1761695,5.9
+Cc1cccc(Nc2ccc(-c3ccc(N4CCNCC4)nc3)cc2)n1,CHEMBL1770752,6.15
+O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2,CHEMBL1774023,5.38
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1,CHEMBL1774024,5.8
+Cc1cc(-c2c(Cl)cc(Cl)cc2OCCCC(F)(F)F)nc(N)n1,CHEMBL1774835,4.94
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccccc2)C2CC2)cc(OCCOC)c1,CHEMBL1795901,5.14
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1795906,4.55
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3cc(Cl)ccc23)C2CC2)cc(OCCOC)c1,CHEMBL1795907,5.17
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)cc1=O,CHEMBL1795908,4.89
+COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1795909,5.32
+COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1795910,4.55
+COCCCc1cc(Cl)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1795911,5.12
+COCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1795912,4.96
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCC#N)cc(Cl)c2Cl)C2CC2)cc1=O,CHEMBL1795913,5.08
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCC#N)cc(Cl)c2Cl)C2CC2)cc1=O,CHEMBL1795914,4.77
+COC(=O)NCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1795916,4.82
+COCCNc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1796060,4.74
+COCCCc1cc(Br)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1,CHEMBL1796062,5.3
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(Br)c1C,CHEMBL1796063,4.74
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(-c2ccccc2)c1,CHEMBL1796064,5.77
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc2c1,CHEMBL1796065,4.77
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ncccc2c1,CHEMBL1796067,4.57
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Cl)cccc21,CHEMBL1796070,4.64
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Br)cccc21,CHEMBL1796071,4.96
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3cccc(F)c23)C2CC2)cc1=O,CHEMBL1796073,6.02
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccc(F)c3)c3cccc(F)c23)C2CC2)cc1=O,CHEMBL1796074,5.92
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccc(F)cc3)c3cccc(F)c23)C2CC2)cc1=O,CHEMBL1796075,6.12
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccnc3)c3cccc(F)c23)C2CC2)cc1=O,CHEMBL1796077,4.92
+Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccncc3)c3cccc(F)c23)C2CC2)cc1=O,CHEMBL1796078,4.82
+CN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1822862,5.0
+CCOC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL1822861,8.1
+O=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1,CHEMBL1822860,6.09
+COc1ccccc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1822859,7.12
+c1cc(-c2ccc3c(c2)OCO3)ccc1OCCCN1CCCCC1,CHEMBL1822858,8.3
+c1cc(C2CCOCC2)ccc1OCCCN1CCCCC1,CHEMBL1822857,5.65
+c1cc(C2CCCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822856,5.95
+c1cc(N2CCCCC2)ccc1OCCCN1CCCCC1,CHEMBL1822855,6.08
+c1cc(C2CCCCC2)ccc1OCCCN1CCCCC1,CHEMBL1822854,7.89
+C1=C(c2ccc(OCCCN3CCCCC3)cc2)CCC1,CHEMBL1822853,6.64
+c1cc(C2=NCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822852,5.0
+c1ncc(-c2ccc(OCCCN3CCCCC3)cc2)o1,CHEMBL1822851,5.92
+Cn1nccc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1822850,6.72
+c1c[nH]c(-c2ccc(OCCCN3CCCCC3)cc2)n1,CHEMBL1822849,5.0
+c1cc(C2CCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822690,5.56
+c1coc(-c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL1822689,7.05
+c1csc(-c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL1822688,7.85
+CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O,CHEMBL1835119,5.5
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.05
+Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,CHEMBL1493,4.7
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.3
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.33
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,6.49
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,4.77
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,4.85
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,5.07
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,4.89
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL567,5.46
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,4.78
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,5.82
+O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CHEMBL58,5.53
+CCN(CC)CCOCCC1=CCC2CC1C2(C)C,CHEMBL1630579,5.32
+CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL422,5.29
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,5.17
+COCCCc1cc(CN(C(=O)C2CNCCC2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1,CHEMBL1910294,5.35
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cccc(Cl)c1Cl)C1CC1,CHEMBL1910295,6.17
+COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c1,CHEMBL1910296,6.0
+COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c1,CHEMBL1824499,5.66
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1,CHEMBL1910297,5.85
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Cl)c12)C1CC1,CHEMBL1910298,6.04
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Br)c12)C1CC1,CHEMBL1910299,6.34
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21,CHEMBL1910300,5.89
+COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c[nH]c12,CHEMBL1910301,5.96
+COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)cn(CCCOC)c12,CHEMBL1910302,6.07
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CCC#N)c21,CHEMBL1910303,6.22
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CS(C)(=O)=O)c21,CHEMBL1910304,5.74
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CN3CCOCC3)c21,CHEMBL1910305,6.05
+COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(Cn3ccnc3)c21,CHEMBL1910306,5.85
+CONC(=O)Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21,CHEMBL1910307,5.08
+CON(C)C(=O)Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21,CHEMBL1909649,5.68
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ncco2)c2cccc(F)c12)C1CC1,CHEMBL1910308,5.96
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1,CHEMBL1910309,6.05
+Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)no1,CHEMBL1910310,6.06
+Cc1noc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)n1,CHEMBL1910311,5.72
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cnoc2)c2cccc(F)c12)C1CC1,CHEMBL1910312,6.21
+Cc1noc(C)c1Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21,CHEMBL1910313,6.15
+Cn1ncnc1Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21,CHEMBL1910314,5.36
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1,CHEMBL1910315,6.6
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2OC(F)F)c2cccc(F)c12)C1CC1,CHEMBL1910316,6.62
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1,CHEMBL1910317,6.52
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(OC(F)F)cc2)c2cccc(F)c12)C1CC1,CHEMBL1910318,6.8
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1,CHEMBL1910319,6.6
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1,CHEMBL1910320,6.52
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1,CHEMBL1910321,6.47
+O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1,CHEMBL1910322,5.96
+Cc1ccc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)cn1,CHEMBL1910545,6.44
+Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)ccn1,CHEMBL1910546,6.01
+O=C([C@H]1CNCC[C@]1(OCC(O)CO)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1,CHEMBL1910547,6.1
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccccc2)C2CC2)cc(OCCOC)c1,CHEMBL1910286,5.3
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1923106,4.7
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC(=O)c2ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1923107,4.72
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCCc2ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1923108,4.62
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC=Cc2ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1923109,5.15
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC(=O)Cc2ccccc23)C2CC2)cc(OCCOC)c1,CHEMBL1923110,4.37
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cc(OCCOC)c1,CHEMBL1923111,4.62
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccccc1Cl)C1CC1,CHEMBL1923112,4.7
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(Cl)c1Cl)C1CC1,CHEMBL1923113,4.96
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccc(Cl)cc1Cl)C1CC1,CHEMBL1923114,5.03
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cc(Cl)ccc1Cl)C1CC1,CHEMBL1923115,5.74
+Cc1cccc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1C,CHEMBL1923116,4.57
+Cc1c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cccc1C(F)(F)F,CHEMBL1923117,5.19
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1,CHEMBL1923118,4.92
+COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923119,5.0
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2ccccc12)C1CC1,CHEMBL1923120,5.24
+COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c2ccccc2c1,CHEMBL1923121,4.92
+COCCCc1cccc2cccc(CN(C(=O)[C@H]3CNCC[C@@]34OCc3cc(F)c(F)cc34)C3CC3)c12,CHEMBL1923122,5.12
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccnc2ccccc12)C1CC1,CHEMBL1923124,4.26
+O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2cccnc12)C1CC1,CHEMBL1923125,4.54
+O=C1O[C@@]2(CCNC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2Cl)C2CC2)c2cc(F)c(F)cc21,CHEMBL1923126,4.89
+COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923127,4.64
+CCN(CC)CCCc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1Cl,CHEMBL1923128,4.92
+COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923129,5.09
+COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923130,4.66
+COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923131,5.11
+COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1,CHEMBL1923132,4.33
+O=S1(=O)c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL1950167,6.33
+CN1CC2CN(c3ccc4oc5ccccc5c(=O)c4c3)CC2C1,CHEMBL1950171,5.96
+CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1,CHEMBL1957676,5.96
+Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,CHEMBL2011947,5.64
+Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,CHEMBL2011950,6.37
+Nc1nccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,CHEMBL2011952,6.49
+Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1,CHEMBL2011946,6.8
+Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1,CHEMBL2012014,7.3
+Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,CHEMBL2012017,5.54
+CN(c1ccc(Cl)cc1)c1ccc(Nc2nccc(N)n2)cc1,CHEMBL2012023,6.1
+Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1,CHEMBL2012027,5.85
+Nc1ccnc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1,CHEMBL2012028,5.72
+Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1,CHEMBL2012029,5.96
+Nc1ccnc(Nc2ccc(Oc3ccc(C4CC4)cc3)cc2)n1,CHEMBL2012030,6.3
+N#Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1,CHEMBL2012032,5.92
+Nc1ccnc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1,CHEMBL2012037,6.05
+Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1,CHEMBL2012038,7.0
+Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1,CHEMBL2012040,5.96
+Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1,CHEMBL2012041,5.7
+Nc1cncc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1,CHEMBL2012044,5.55
+Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12,CHEMBL2012178,5.6
+Cc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12,CHEMBL2012179,5.85
+Fc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12,CHEMBL2012180,5.6
+Clc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12,CHEMBL2012181,5.82
+FC(F)(F)c1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(Cc3ccccc3)c2n1,CHEMBL2012246,6.0
+Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21,CHEMBL2012259,5.82
+Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1,CHEMBL2012260,5.96
+Clc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1,CHEMBL2012263,5.92
+Cc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21,CHEMBL2012265,5.49
+Cc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1,CHEMBL2012266,6.03
+Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1,CHEMBL2012267,5.56
+FC(F)(F)c1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21,CHEMBL2012268,5.61
+FC(F)(F)c1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1,CHEMBL2012269,6.22
+Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1F,CHEMBL2012271,5.64
+Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21,CHEMBL2012272,6.02
+Fc1c(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cccc1C(F)(F)F,CHEMBL2012273,6.52
+Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21,CHEMBL2012274,5.64
+c1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1,CHEMBL2012277,5.92
+Cc1cccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)n1,CHEMBL2012290,5.62
+Cc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1,CHEMBL2012291,6.01
+Cc1ccnc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)c1,CHEMBL2012292,5.66
+Cc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1,CHEMBL2012293,6.14
+Fc1cccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)n1,CHEMBL2012294,5.54
+Fc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1,CHEMBL2012295,5.96
+Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21,CHEMBL2012298,5.74
+Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)c1F,CHEMBL2012299,6.0
+Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21,CHEMBL2012300,6.17
+Fc1c(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)cccc1C(F)(F)F,CHEMBL2012301,6.49
+NC(=O)CN1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CC1,CHEMBL2017684,4.7
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1cc(-c2ccc(F)cc2Br)no1,CHEMBL2016935,5.77
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1cc(-c2c(Cl)cccc2Cl)no1,CHEMBL2016936,5.55
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1cc(-c2ccc(F)cc2Cl)no1,CHEMBL2016937,5.47
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2ccccc2Cl)c1Br,CHEMBL2016938,5.21
+Cc1cccc(-c2noc([C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c2Br)c1C,CHEMBL2017098,5.22
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2c(Cl)cccc2Cl)c1Br,CHEMBL2017099,5.41
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc3ccccc23)c1Br,CHEMBL2017100,5.38
+CC(=O)NCCc1ccccc1-c1noc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br,CHEMBL2017101,4.98
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br,CHEMBL2017102,4.97
+O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1cc(-c2c(Cl)cccc2Cl)on1,CHEMBL2017103,5.01
+CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br,CHEMBL2017104,4.64
+CC(=O)NCCc1ccccc1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)no1,CHEMBL2017105,5.48
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Cl,CHEMBL2017106,4.82
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)=O,CHEMBL2017107,4.86
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)O,CHEMBL2017108,4.47
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br,CHEMBL2017109,4.71
+CO[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1noc(-c2ccccc2CCNC(C)=O)c1Br,CHEMBL2017110,4.67
+CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(C(N)=O)c2ccc(F)c(F)c2)c1Br,CHEMBL2017111,4.52
+COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2noc(-c3ccccc3CCNC(C)=O)c2Br)cc1,CHEMBL2017113,4.51
+CN1C[C@@H]2CN(c3ccc(-c4ccc5[nH]ccc5c4)nc3)C[C@@H]21,CHEMBL2036415,5.72
+c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1,CHEMBL2069500,7.1
+c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1,CHEMBL2069502,6.43
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,6.1
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179216,6.02
+Cc1nc2ccccc2n1[C@@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1,CHEMBL2203612,7.38
+Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204940,5.85
+Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1,CHEMBL2204939,5.58
+Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204938,6.27
+Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204937,6.34
+Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204936,5.79
+Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204935,5.77
+Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1,CHEMBL2204934,7.36
+Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204933,5.66
+Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1,CHEMBL2204932,6.41
+Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1,CHEMBL2204931,5.66
+Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1,CHEMBL2204942,6.52
+Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1,CHEMBL2204941,6.42
+C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1,CHEMBL2324244,8.22
+C[n+]1c(C#CCOc2ccc(Cl)cc2)cccc1C#CCOc1ccc(Cl)cc1,CHEMBL2324239,5.61
+C[n+]1c(C#Cc2ccc(-c3ccccc3)cc2)cccc1C#Cc1ccc(-c2ccccc2)cc1,CHEMBL2325212,7.07
+C[n+]1c(C#CC2CCCCC2)cccc1C#CC1CCCCC1,CHEMBL2325211,5.92
+C[n+]1c(C#Cc2ccccc2)cccc1C#Cc1ccccc1,CHEMBL2325210,6.3
+Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1,CHEMBL2324257,5.44
+CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1,CHEMBL2376805,4.89
+CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376801,4.36
+CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376800,4.46
+CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1,CHEMBL2376799,4.57
+CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1,CHEMBL1915540,5.46
+CCc1ccc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376797,5.56
+CCc1ccc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376796,5.61
+CCc1ccc2c(N3CCNCC3)nc(N)nc2c1,CHEMBL2376795,5.82
+CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1,CHEMBL2376794,5.44
+Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1,CHEMBL2376793,5.33
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1,CHEMBL2376790,6.08
+Nc1nc(N2CCNCC2)c2ccc(C3CCCC3)cc2n1,CHEMBL2376789,5.47
+Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,CHEMBL1935574,5.49
+O[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL2375587,5.24
+O=C(N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1,CHEMBL2414773,5.02
+O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12)C(C1CCCCC1)C1CCCCC1,CHEMBL2047726,6.16
+CCCCCCCN(CC)C/C=C/Cc1ccc(Cl)cc1,CHEMBL3093986,8.02
+CCCCCCCN(CC)CC#CCOc1ccc(Cl)cc1,CHEMBL3093982,6.32
+CCCCN(CC)CC#CC#Cc1ccc(Cl)cc1,CHEMBL3093979,5.72
+CCCCCCCN(CC)CC#CCCc1ccc(Cl)cc1,CHEMBL3093976,6.83
+CCCCCCCN(CC)CC#CCc1ccc(Cl)cc1,CHEMBL3093969,6.78
+CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,CHEMBL598270,9.4
+CCCCCCCN(CC)C/C=C/Cc1ccccc1,CHEMBL3093953,6.92
+CCCCCCCN(CC)CC#CC(c1ccccc1)c1ccccc1,CHEMBL3093972,7.01
+O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1,CHEMBL172,5.72
+Cc1csc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CC4)CNC(=O)O5)nc3)c2)c1,CHEMBL3286734,5.7
+Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1,CHEMBL3286735,5.47
+Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1,CHEMBL3286736,6.21
+CS(=O)(=O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cc1,CHEMBL3287928,6.2
+CC(C)(O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cn1,CHEMBL3287930,6.13
+CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cn1,CHEMBL1812717,5.9
+Clc1ccc(Sc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1,CHEMBL3287926,5.81
+CS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1,CHEMBL3287932,5.6
+Clc1ccc(Sc2cn(-c3cccnc3)nc2-c2ccc(-c3ncon3)cc2)cc1,CHEMBL3287929,5.28
+CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)oc2Sc2ccc(Cl)cc2)cc1,CHEMBL3287931,4.54
+O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342770,4.96
+O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342772,4.82
+O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342773,5.4
+O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342774,5.15
+O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342775,5.0
+CC(C)(C)C#Cc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2,CHEMBL3359760,5.94
+N#Cc1ccc(-c2cnc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1,CHEMBL3359758,6.68
+Cc1ccc(-c2cnc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1,CHEMBL3359757,5.91
+COC(C)(C)COc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2,CHEMBL3359751,5.53
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)cnc1O2,CHEMBL3359750,5.42
+CC(C)(C)COc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2,CHEMBL3359749,5.53
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354688,6.18
+CC(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL2177343,5.74
+CC(C)(C)C#Cc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354689,6.82
+CC(C)(C)CCc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354690,6.39
+CC(C)(O)C#Cc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354691,4.85
+COC(C)(C)C#Cc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354692,5.85
+NC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cncnc3)cc12,CHEMBL3354693,4.97
+NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(-c3cncnc3)cc12,CHEMBL3354696,7.05
+CC(C)(F)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354699,5.3
+CC(C)(C#N)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2,CHEMBL3354700,4.93
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccn3)ccc1O2,CHEMBL3354702,6.3
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccncc3)ccc1O2,CHEMBL3354703,6.2
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2,CHEMBL3354704,6.1
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccc(F)nc3)ccc1O2,CHEMBL3354705,6.59
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncc(C#N)c3)ccc1O2,CHEMBL3354706,6.84
+CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncc(F)c3)ccc1O2,CHEMBL3354707,6.42
+NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(C3=CCOCC3)cc12,CHEMBL3354718,5.48
+NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(-c3ccccn3)cc12,CHEMBL3355143,5.56
+CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2CN1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL3326630,5.05
+CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2CN1)CN1CC[C@@](C)(c2ccccc2)[C@@H](C)C1,CHEMBL3326631,5.15
+CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2CN1)CN1CC[C@@](C)(c2cccc(F)c2)[C@@H](C)C1,CHEMBL3326784,5.2
+NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CC[C@@H](F)C3)cc12,CHEMBL3394051,5.11
+NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(N2CCC(F)(F)CC2)nc1F,CHEMBL3394225,5.16
+NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(N2CCC(F)(F)C2)nc1F,CHEMBL3394226,5.25
+Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1,CHEMBL3582307,6.54
+Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1,CHEMBL3582308,7.3
+c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1,CHEMBL3582309,6.36
+CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21,CHEMBL3582310,5.54
+Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1,CHEMBL3582311,6.14
+O=[N+]([O-])c1ccc(CCNCCOc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3590444,7.33
+CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590445,7.62
+CCN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590446,8.38
+O=[N+]([O-])c1ccc(CCN(CCF)CCOc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3590447,7.19
+N#CCN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590448,6.69
+O=C(O)CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590449,6.23
+CC(=O)N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590450,6.6
+O=C(N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F,CHEMBL3590451,6.45
+CN(CCCCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1,CHEMBL3590452,8.8
+CN(CCCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1,CHEMBL3590453,7.18
+CN(CCOc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1,CHEMBL3590454,5.25
+COc1ccc(CCN(C)CCOc2ccccc2)cc1,CHEMBL3590455,6.03
+O=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL3590456,7.27
+Cc1ccc(C(=O)C2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL3590457,7.22
+O=C(c1ccccc1)N1CCN(CCc2ccccc2)CC1,CHEMBL1464333,5.27
+C[N+]1(CCc2ccccc2)CCC(C(=O)c2ccc(Cl)cc2)CC1,CHEMBL3590458,7.32
+CCCCCCCN(CC)CC#Cc1ccc(C)cc1,CHEMBL3590459,5.48
+CCCN(CC)CC#Cc1ccc(C)cc1,CHEMBL3590460,5.92
+CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1,CHEMBL3140084,8.74
+CCCCCCCCc1cccc(CCCCCCCC)n1,CHEMBL3590461,4.43
+C[n+]1c(CCc2ccc(-c3ccccc3)cc2)cccc1CCc1ccc(-c2ccccc2)cc1,CHEMBL3590470,7.2
+COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1,CHEMBL3609749,5.54
+Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2)cn1,CHEMBL3608384,5.44
+COc1cc(-n2cnc(C)c2)ccc1-c1cn([C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)nn1,CHEMBL3609752,5.72
+Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2OCC(F)(F)F)cn1,CHEMBL3608385,5.7
+Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)c(F)c2)cn1,CHEMBL3609754,5.08
+COc1c(-n2cnc(C)c2)ccc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)c1F,CHEMBL3608387,5.48
+COc1c(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc(-n2cnc(C)c2)c1F,CHEMBL3609755,5.19
+COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)n1,CHEMBL3609759,4.72
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL415247,5.05
+CC(C)[C@@H](CN1CC[C@@](C)(c2ccccc2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613445,5.15
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(F)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613446,5.2
+CC(C)[C@@H](CN1CCC(C)(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613448,5.37
+CCC(C)[C@@H](CN1CCC(C)(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613449,5.78
+CC(C)[C@@H](CN1CCC(c2cccc(O)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613442,5.76
+CC(C)[C@@H](CN1CCC(c2ccccc2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613444,6.11
+CC(C)[C@@H](CN1CCC(c2cccc(F)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL3613443,6.36
+Oc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3683711,4.41
+O=c1[nH]c2ccc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)cc2o1,CHEMBL3688388,5.8
+CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3688389,6.26
+NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3688390,4.89
+O[C@H](COc1ccc2n[nH]cc2c1)CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3688391,6.0
+O=c1ccc2cc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)ccc2[nH]1,CHEMBL3688392,5.12
+O=c1[nH]c2ccc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1,CHEMBL3688393,5.12
+O=C1Cc2cc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL3688394,5.0
+O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3688395,5.12
+O=C1CCc2cc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL3688396,5.3
+O=C(COc1ccc2ccccc2c1Br)Nc1cccnc1,CHEMBL1418045,8.32
+Cc1[nH]c(NC(=O)c2cc(CNC(=O)C(C)C)cnc2C(F)F)nc1-c1ccc(C(F)(F)F)cc1,CHEMBL3342693,7.38
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(F)cc3)C2)n1C,CHEMBL3765754,5.5
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764557,5.5
+Cc1ncoc1-c1nnc(SCCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3763418,5.6
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1,CHEMBL3764306,5.7
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3765426,5.25
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1,CHEMBL3764143,5.95
+Cc1ccc(C2CN(CCCSc3nnc(-c4ccc(-c5noc(C)n5)cc4)n3C)CCO2)cc1,CHEMBL3764246,6.0
+CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCCCN1CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O,CHEMBL3805335,7.04
+O=[N+]([O-])c1ccc(NCCCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c2nonc12,CHEMBL3805898,7.92
+CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1,CHEMBL3804918,6.66
diff --git a/chembl_200/CHEMBL243.csv b/chembl_200/CHEMBL243.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d885f1c541470f35f420ffffd8241662e0eab769
--- /dev/null
+++ b/chembl_200/CHEMBL243.csv
@@ -0,0 +1,1974 @@
+N#Cc1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL37639,7.82
+NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL38281,8.25
+N=C(NO)c1cc(CN2C(=O)N(Cc3ccc(F)c(C(=N)NO)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F,CHEMBL366576,10.22
+O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL288254,10.685
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL286693,9.04
+N=C(NO)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL286159,9.62
+Nc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL290362,10.1
+Nc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL37593,10.0
+N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(C(=N)NO)c3)[C@H](Cc3ccc(F)cc3)[C@H](O)[C@H]2CCc2ccc(F)cc2)c1,CHEMBL116517,10.7
+Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL36862,8.77
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL284340,10.052
+N#Cc1cc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL287818,6.96
+N#Cc1cc(CN2C(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F,CHEMBL289934,7.48
+N#Cc1cc(CN2C(=O)N(Cc3ccc(F)c(C#N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F,CHEMBL286304,6.64
+O=C1N(Cc2cccc(CO)c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL285871,9.31
+O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](CCc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL37618,7.36
+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(N)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)cc12,CHEMBL291004,10.52
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(C#N)c3)[C@H](Cc3ccc(F)cc3)[C@H](O)[C@H]2CCc2ccc(F)cc2)c1,CHEMBL37083,7.85
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)cc3)[C@H](O)[C@H]2CCc2ccc(F)cc2)c1,CHEMBL284941,9.51
+Cc1ccc(C(=O)Nc2cccc(CN3C(=O)N(Cc4cccc(NC(=O)c5ccc(C)cn5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)c2)nc1,CHEMBL113884,10.1
+NC(=O)c1cc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL37701,7.85
+Cc1[nH]nc2ccc(CN3C(=O)N(Cc4cccc(N)c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)cc12,CHEMBL290074,9.89
+N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(C(=N)NO)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL284942,10.716
+Nc1ccc(CN2C(=O)N(Cc3ccc(N)c(F)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)cc1F,CHEMBL39592,8.1
+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccccc4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)cc12,CHEMBL431321,9.19
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL264852,10.0
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)c(F)c3)[C@H](O)[C@H]2CCc2ccc(F)c(F)c2)c1,CHEMBL288261,9.82
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+Nc1[nH]nc2ccc(CN3C(=O)N[C@H](CCc4ccccc4)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL36437,9.42
+N#Cc1cc(CN2C(=O)N(Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL287520,7.4
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL290331,10.22
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+N=C(NO)c1cccc(CN2C(=O)N(CC3CC3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL287923,9.32
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+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccccc4)[C@H](CCc4ccccc4)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL36581,9.55
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL289393,8.8
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+O=C(O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL287546,9.06
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+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1OC1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL295499,7.12
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+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL55197,10.0
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL52809,8.4
+CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C,CHEMBL300705,7.96
+CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C,CHEMBL293061,7.15
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+ON=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL69542,7.38
+O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=NOCc2ccccc2)N(Cc2ccccc2)[C@@H]1Cc1ccccc1,CHEMBL304342,5.52
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@@H](COCc1ccccc1)C(C)C,CHEMBL21095,8.1
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL15705,8.3
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL305159,8.7
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL294511,6.57
+C=CCCCCCCC(OC(=O)N(CCCCC=C)CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1,CHEMBL302835,6.35
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL60729,6.72
+O=C(NC(Cc1ccccc1)C(O)CN1CC=CCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL59405,6.64
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCC=CCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL294895,6.79
+COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL302859,10.82
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL300794,7.1
+O=C(NC(Cc1ccccc1)C(O)CN1CC=CCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL302689,6.9
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL303590,7.85
+CC1CC=CCCCCCCCCOC(=O)N(CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1,CHEMBL60728,7.96
+CC1CCCCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL62182,7.52
+CC1CCCCCCCCCCOC(=O)N(CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1,CHEMBL292373,8.21
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL303578,6.45
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCC=CCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL60396,6.78
+CC1CC=CCCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL61164,7.28
+O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCC=CCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL59732,7.06
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O,CHEMBL49002,9.92
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL79799,9.0
+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C,CHEMBL177918,5.3
+Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO,CHEMBL37037,10.05
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL99607,7.68
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL95767,6.54
+CC(C)(C)[C@H](NC(=O)OCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1nc2ccccc2[nH]1)C(C)(C)C,CHEMBL98234,7.54
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL96038,6.47
+CC(C)(C)[C@H](NC(=O)OCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1nc2ccccc2[nH]1)C(C)(C)C,CHEMBL98288,7.89
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](C(=O)O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL95448,6.37
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](CO)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL98015,6.29
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C,CHEMBL98878,7.8
+CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](CO)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C,CHEMBL318965,6.59
+CC(C)(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)(C)C,CHEMBL407000,6.8
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CO)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL97127,7.57
+CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CO)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C,CHEMBL97592,7.89
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL97254,5.43
+CC(C)(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)(C)C,CHEMBL97304,8.05
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cccc(O)c2C)cc1,CHEMBL121254,7.18
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)CC2CCCC(NS(N)(=O)=O)C2)cc1,CHEMBL332849,7.12
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cccc(NS(N)(=O)=O)c2)cc1,CHEMBL332804,7.54
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2cncs2)cc1,CHEMBL120843,7.42
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2ccccc2)cc1,CHEMBL121146,7.7
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+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC2CCCS(=O)(=O)C2)cc1,CHEMBL121036,5.85
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2ccncc2)cc1,CHEMBL333037,6.7
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC(C)(C)C)cc1,CHEMBL331429,6.9
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC2CCSC2)cc1,CHEMBL124161,6.98
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2ccccc2)cc1,CHEMBL119998,7.7
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)O[C@@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL331879,7.3
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Oc2ccccc2)cc1,CHEMBL123186,6.76
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(Cc2ccccc2)C(=O)O[C@H]2CCOC2)cc1,CHEMBL120874,6.22
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)O[C@H]2CCOC2)cc1,CHEMBL122936,7.4
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2cccnc2)cc1,CHEMBL332611,7.77
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cccc(NS(N)(=O)=O)c2C)cc1,CHEMBL333303,6.17
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC2CCCSC2)cc1,CHEMBL121023,6.52
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2ccncc2NS(N)(=O)=O)cc1,CHEMBL431655,7.57
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cncc(NS(N)(=O)=O)c2)cc1,CHEMBL331298,6.66
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OCC2COCO2)cc1,CHEMBL332564,7.19
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC2COCOC2)cc1,CHEMBL122542,7.82
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)OC2CCS(=O)(=O)C2)cc1,CHEMBL331105,7.42
+COP(=O)(C(Cc1ccccc1)NC(=O)C(F)(F)F)N1CCC[C@H]1C(N)=O,CHEMBL158393,4.36
+COP(=O)(N[C@@H](Cc1ccccc1)C(N)=O)C(Cc1ccccc1)NC(=O)C(F)(F)F,CHEMBL160889,4.1
+NC(=O)[C@@H]1CCCN1P(=O)(O)C(Cc1ccccc1)NC(=O)C(F)(F)F,CHEMBL1161406,4.28
+NC(=O)[C@H](Cc1ccccc1)NP(=O)(O)C(Cc1ccccc1)NC(=O)C(F)(F)F,CHEMBL1161407,4.35
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N1CCOCC1,CHEMBL311049,8.3
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCOCC1,CHEMBL83002,7.15
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N(C)Cc1ccccc1,CHEMBL311418,9.4
+CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O,CHEMBL86971,9.1
+CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL261900,7.9
+CCN(c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O,CHEMBL313237,8.3
+CCN(c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O,CHEMBL328036,8.34
+CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O,CHEMBL89076,8.15
+CCN(CC(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O,CHEMBL92097,8.54
+CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)S(C)(=O)=O,CHEMBL327222,8.51
+CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O,CHEMBL328956,9.15
+CC(C)N(C(=O)c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O,CHEMBL404933,8.44
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL177917,7.82
+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL367679,8.52
+CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL172850,9.33
+Cc1cccc(C)c1OCC(=O)NN(Cc1ccccc1)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL172012,8.24
+Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL176930,8.3
+CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C,CHEMBL366433,9.6
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL368169,9.8
+Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2NC(=O)OCc2ccccc2)c1NC(=O)OCc1ccccc1,CHEMBL87879,7.92
+O=CNc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O,CHEMBL315928,8.92
+O=C(Nc1c(Cl)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1NC(=O)OCc1ccccc1)OCc1ccccc1,CHEMBL84884,7.04
+O=C(Nc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1NC(=O)OCc1ccccc1)OCc1ccccc1,CHEMBL87309,7.7
+O=C(CO)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CO,CHEMBL314408,7.7
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)OCc1ccccn1,CHEMBL313767,10.15
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1)OCc1cccnc1,CHEMBL315500,9.59
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)OCc1ccccc1,CHEMBL85640,8.92
+O=C(Nc1ncccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1NC(=O)OCc1ccccc1)OCc1ccccc1,CHEMBL86263,8.52
+CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(C)=O,CHEMBL85593,7.39
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)OCc1ccccn1,CHEMBL408110,10.185
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)OCc1ccccc1,CHEMBL264622,8.62
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1)OCc1ccncc1,CHEMBL315742,9.35
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790235,7.36
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(N)=O)C(=O)N1)S(=O)(=O)c1ccccc1,CHEMBL45135,9.0
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)NCC(O)C1Cc2ccc(cc2)OCCCC(=O)NC(CC(N)=O)C(=O)N1,CHEMBL442159,7.92
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790231,9.22
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1,CHEMBL295464,8.8
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc3ccccc3n2)C(C)C)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790230,9.52
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790234,8.41
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790238,7.82
+CC(C)(C)N(CC(O)C1Cc2ccc(cc2)OCCCC(=O)NC(CC(N)=O)C(=O)N1)C(=O)C1CCCCN1,CHEMBL443519,7.92
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N2CCCC2=O)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790229,9.0
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCOC2)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790237,8.4
+CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1790236,8.4
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1,CHEMBL288836,9.4
+O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL285417,9.76
+CC(C)(O)c1ccc(CN2C(=O)N(Cc3ccc(C(C)(C)O)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL103013,8.66
+C[Si](C)(C)CC(NC(=O)OCc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL86686,4.92
+CC(C)(C)OC(=O)NC(C[Si](C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL87350,5.6
+C[Si](C)(C)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL86924,6.22
+O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCOCC2)C[C@@H]1Cc1ccccc1,CHEMBL333821,7.64
+NC(C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O,CHEMBL324107,10.3
+O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCCCC2)C[C@@H]1Cc1ccccc1,CHEMBL273393,7.3
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)C3(CCCCC3)OC[C@@H]2Cc2ccccc2)cc1,CHEMBL117437,8.735
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1,CHEMBL324144,9.2
+O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(CCN(Cc3ccccc3)CC2)C[C@@H]1Cc1ccccc1,CHEMBL433195,5.6
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL28961,9.0
+O=C(O)CCCCCN1C(=O)N(CCCCCC(=O)O)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL29089,9.62
+NCCCCCN1C(=O)N(CCCCCN)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL281919,5.9
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL409292,9.62
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL28742,10.09
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCO,CHEMBL282619,8.85
+O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2ccc(F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1ccc(F)cc1,CHEMBL280990,7.74
+O=C1N(CCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCO,CHEMBL281034,9.33
+NCCCCN1C(=O)N(CCCCN)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL28470,5.9
+O=C1N(CCCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCCO,CHEMBL283885,7.47
+O=C1N(CCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCO,CHEMBL28612,7.29
+CNC(=O)NCCCCCN1C(=O)N(CCCCCNC(=O)NC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL281478,6.57
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL29011,10.24
+CCOC(=O)c1cccc(CN2C(=O)N(CCCCCO)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL282825,9.14
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL285354,10.0
+COCCCCCN1C(=O)N(CCCCCOC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL29342,7.02
+O=C1N(CCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCO,CHEMBL29177,7.38
+O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2cccc(F)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1cccc(F)c1,CHEMBL281516,7.85
+O=C1N(CCCCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCCCO,CHEMBL28558,6.3
+O=C1N(CCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL431304,8.77
+O=C(Cc1cccnc1)NCCCCCN1C(=O)N(CCCCCNC(=O)Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL280989,8.05
+COC(=O)CCCCCN1C(=O)N(CCCCCC(=O)OC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL283801,7.54
+O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1ccncc1,CHEMBL282395,7.8
+CC(=O)NCCCCCN1C(=O)N(CCCCCNC(C)=O)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL28516,6.46
+O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1ccccc1,CHEMBL281477,7.23
+CS(=O)(=O)NCCCCCN1C(=O)N(CCCCCNS(C)(=O)=O)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL29050,6.57
+O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL287635,9.17
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL349637,10.8
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL38314,10.57
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc(OCc3ccncc3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCc3ccncc3)cc2)N1Cc1ccccc1,CHEMBL167005,9.08
+CNCCOc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OCCNC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL166774,8.8
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCc3cccnc3)cc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL353484,10.23
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccccc1,CHEMBL305228,8.96
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL290576,8.481
+COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3cccc(-c4cc[nH]n4)c3)C(=O)N2Cc2cccc(-c3cc[nH]n3)c2)cc1,CHEMBL265219,10.11
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc(OCCO)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCCO)cc2)N1Cc1ccccc1,CHEMBL166604,9.12
+Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL223824,9.535
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc(OCCN3CCOCC3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCCN3CCOCC3)cc2)N1Cc1ccccc1,CHEMBL166936,8.23
+COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL68317,8.07
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCCO)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCCO)cc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL446691,10.23
+CN(C)CCOc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OCCN(C)C)cc3)N(Cc3cccc(-c4cc[nH]n4)c3)C(=O)N2Cc2cccc(-c3cc[nH]n3)c2)cc1,CHEMBL437066,10.21
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCCN3CCOCC3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCCN3CCOCC3)cc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL423251,9.89
+O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCc3ccncc3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCc3ccncc3)cc2)N1Cc1cccc(-c2cc[nH]n2)c1,CHEMBL167068,10.15
+O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL78671,10.74
+O=C1N(Cc2ccc3n[nH]c(N4CCCC4)c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]c(N3CCCC3)c2c1,CHEMBL348841,8.89
+CC(C)Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(NC(C)C)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL348802,10.05
+O=C1N(Cc2ccc3n[nH]c(NCC4CC4)c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]c(NCC3CC3)c2c1,CHEMBL352180,9.47
+CCNc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(NCC)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL351172,10.39
+CCCNc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(NCCC)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL349010,9.64
+CNc1[nH]nc2ccc(CN3C(=O)N(Cc4ccc5n[nH]c(NC)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL434098,10.74
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL264763,9.85
+O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL144139,4.81
+O=S1(=O)N(Cc2ccccc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccccc1,CHEMBL130998,7.688
+O=C1N(Cc2ccc(CO)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL354502,9.64
+O=S1(=O)N(Cc2ccccc2)[C@H](CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1,CHEMBL170517,7.83
+O=C1N(Cc2ccccc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccccc1,CHEMBL171148,7.915
+O=C1N(Cc2ccccc2)[C@H](CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1,CHEMBL69731,6.58
+O=C1N(Cc2ccccc2)[C@H](CCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](CCCc2ccccc2)N1Cc1ccccc1,CHEMBL355782,6.24
+CN(C)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL280447,8.55
+Cc1cccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1,CHEMBL16526,8.29
+O=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16711,7.96
+CCS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1,CHEMBL273577,7.2
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c1)C1CC1)CCCCCC2,CHEMBL16039,8.4
+COc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1OC,CHEMBL16832,8.17
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc4ccccc4n3)c1)C1CC1)CCCCCC2,CHEMBL16536,9.4
+CC(C)C(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL275419,8.23
+CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL280277,8.82
+C=CS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16473,7.74
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(Cl)cc3)c1)C1CC1)CCCCCC2,CHEMBL16234,8.6
+N#[N+][N-]c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16361,8.59
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2,CHEMBL16636,8.865
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc4ccccc4c3)c1)C1CC1)CCCCCC2,CHEMBL280104,8.39
+O=c1oc2c(c(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(F)cc3)c1)C1CC1)CCCCCC2,CHEMBL279765,8.85
+CC(C)C(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16572,7.96
+Nc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL276941,8.16
+N#Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16431,9.22
+O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc4cccnc34)c1)C1CC1)CCCCCC2,CHEMBL16337,9.05
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(I)cc3)c1)C1CC1)CCCCCC2,CHEMBL16351,8.51
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc4cccnc34)c1)C1CC1)CCCCCC2,CHEMBL16349,8.72
+CC(C)CC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16666,8.48
+CC(C)CC(c1cccc(NS(=O)(=O)c2cccnc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16816,8.03
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c1)C1CC1)CCCCCC2,CHEMBL16340,8.52
+Cc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL279580,8.507
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c1)C1CC1)CCCCCC2,CHEMBL16551,8.57
+O=c1oc2c(c(O)c1C(c1cccc(S(=O)(=O)Nc3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL16421,7.44
+CCCc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16386,7.96
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccccc3Cl)c1)C1CC1)CCCCCC2,CHEMBL274266,8.03
+O=C(O)c1cccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1,CHEMBL16754,8.35
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(F)cc3)c1)C1CC1)CCCCCC2,CHEMBL277309,8.51
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C(F)(F)F)c3)c1)C1CC1)CCCCCC2,CHEMBL276737,7.33
+CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16266,7.74
+CC(C)CC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL417449,10.07
+O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(F)cc3)c1)C1CC1)CCCCCC2,CHEMBL15959,8.68
+N#Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16422,9.15
+CCCCC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL278867,8.21
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)C1CC1)CCCCCC2,CHEMBL16547,8.57
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc4ccccc34)c1)C1CC1)CCCCCC2,CHEMBL417993,8.26
+NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL418545,8.72
+CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL440092,7.49
+CS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1,CHEMBL16641,6.92
+CCCS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16427,8.4
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccccc3F)c1)C1CC1)CCCCCC2,CHEMBL280014,7.96
+CC(C)C(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16327,7.74
+CCCCS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16483,8.34
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)C1CC1)CCCCCC2,CHEMBL430323,8.39
+CC(C)C(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16856,9.3
+CCCC(c1cccc(NS(=O)(=O)c2cccnc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16238,8.66
+O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL277125,8.12
+CCCC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL274470,8.68
+CC(C)C(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16773,8.38
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)Cc3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL16354,7.89
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2,CHEMBL278687,8.8
+Nc1cccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1,CHEMBL16387,8.64
+CCCCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16352,8.68
+CCCC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL278636,8.68
+CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16359,8.4
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc(Br)c3)c1)C1CC1)CCCCCC2,CHEMBL16309,8.59
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c1)C1CC1)CCCCCC2,CHEMBL280053,8.12
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL16400,8.51
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c1)C1CC1)CCCCCC2,CHEMBL276349,8.21
+CCCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16511,10.0
+CS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16324,7.96
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)C3CCCCC3)c1)C1CC1)CCCCCC2,CHEMBL16564,8.44
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)c1)C1CC1)CCCCCC2,CHEMBL16339,8.06
+N#Cc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)nc1,CHEMBL276592,9.0
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16316,8.51
+Cc1ccccc1S(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL277138,8.04
+N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16257,8.13
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2,CHEMBL16777,8.33
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(Br)cc3)c1)C1CC1)CCCCCC2,CHEMBL16328,8.68
+CCCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16445,8.85
+Cn1cnc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1,CHEMBL418171,10.1
+O=c1oc2c(c(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc4cccnc34)c1)C1CC1)CCCCCC2,CHEMBL275888,9.4
+COc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16629,8.41
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cnccn3)c1)C1CC1)CCCCCC2,CHEMBL16368,9.7
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ncccn3)c1)C1CC1)CCCCCC2,CHEMBL16232,9.1
+Cn1cnc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1,CHEMBL280303,10.35
+CCCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16256,8.4
+CCCCCCCCS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16443,8.22
+CCC(c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL275899,7.12
+CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL278970,7.89
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c1)C1CC1)CCCCCC2,CHEMBL277336,7.13
+CC(C)S(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL276055,7.48
+CCS(=O)(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL16084,8.0
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccc(F)cc3F)c1)C1CC1)CCCCCC2,CHEMBL417624,8.39
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccs3)c1)C1CC1)CCCCCC2,CHEMBL16245,8.2
+O=c1oc2c(c(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL16580,8.49
+CCc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL16721,8.3
+CCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL16390,8.46
+CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,CHEMBL279192,8.55
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)/C=C/c3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL278426,8.52
+O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c1)C1CC1)CCCCCC2,CHEMBL275633,7.68
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+CCCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1,CHEMBL82770,8.85
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+O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1C(c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1,CHEMBL312027,7.64
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+CCC(CC)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1,CHEMBL310123,9.27
+CCC(CCOCCOC)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1,CHEMBL78955,9.06
+CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1,CHEMBL430629,7.66
+N#Cc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)cc(C(CC4CC4)CC4CC4)oc3=O)C3CC3)c2)cc1,CHEMBL80494,8.27
+CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C2CC2)c(=O)o1,CHEMBL78822,8.46
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL303100,8.0
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+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)cc1,CHEMBL65470,8.1
+CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)NC1c2ccccc2CC1O,CHEMBL292076,8.09
+COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1,CHEMBL64958,8.405
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+COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3CC2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1,CHEMBL294256,8.09
+COc1ccc(CN[C@@H](C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL435379,8.11
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)cc1,CHEMBL66085,8.24
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(CC(=O)O)c2ccccc2)C(C)(C)C)cc1,CHEMBL292074,7.85
+CCOc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL303308,7.04
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)cc2O)C(C)(C)C)cc1,CHEMBL292525,7.74
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)cc1,CHEMBL292048,8.11
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL424415,8.39
+COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)cc1,CHEMBL292789,8.03
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL293430,7.8
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)OCc2ccccc2)cc1,CHEMBL63869,7.66
+COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)cc1,CHEMBL292742,7.89
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1,CHEMBL66042,5.92
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL64441,7.1
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL305304,7.19
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL66413,6.89
+COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1,CHEMBL291346,8.02
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL66411,5.6
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NCc1ccccc1,CHEMBL63021,6.17
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL62577,7.72
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C(C)(C)C)cc1,CHEMBL293470,8.24
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL265225,8.02
+COc1ccc(CN[C@@H](C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL305100,7.96
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL433109,8.48
+COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[n+]2ccc3ccccc3c2)C(C)(C)C)cc1,CHEMBL65118,7.92
+CCOc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1,CHEMBL66086,8.0
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)cc1,CHEMBL291578,7.89
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL292961,7.48
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnn(C)n2)C(C)(C)C)cc1,CHEMBL305352,7.92
+CC(=O)NCc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1,CHEMBL294812,8.24
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL433301,7.39
+CC(=O)NCc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1,CHEMBL292940,7.15
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)NC(C)(C)C)cc1,CHEMBL122564,5.68
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)NCc2ccccc2)cc1,CHEMBL333312,7.66
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN(CCc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL264550,7.37
+CNC(=O)N(CCc1ccccc1)C[C@H](O)CN(CC1CCCC1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL121375,5.47
+CCCCN1C(=O)N(Cc2ccc3n[nH]c(N)c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL413332,10.68
+CCCCN1C(=O)N(Cc2ccc3n[nH]c(N)c3c2)[C@H](Cc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccc(C)cc1,CHEMBL154962,10.43
+CCCCN1C(=O)N(Cc2ccc3n[nH]c(N)c3c2)[C@H](Cc2cc(C)cc(C)c2)[C@H](O)[C@@H](O)[C@H]1Cc1cc(C)cc(C)c1,CHEMBL442770,9.72
+Nc1[nH]nc2ccc(CN3C(=O)N(Cc4ccccc4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12,CHEMBL346818,10.51
+CCCCN1C(=O)N(Cc2ccc3n[nH]c(N)c3c2)[C@H](Cc2ccc(CC)cc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccc(CC)cc1,CHEMBL349347,10.03
+CCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CC)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccccc2)cc1,CHEMBL346594,10.14
+CCCCN1C(=O)N(Cc2ccc3n[nH]c(N)c3c2)[C@H](Cc2cccc(C)c2)[C@H](O)[C@@H](O)[C@H]1Cc1cccc(C)c1,CHEMBL158021,10.35
+Cc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccccc2)cc1,CHEMBL154722,10.33
+Cc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(C)c3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccccc2)c1,CHEMBL348543,10.21
+Cc1cc(C)cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)cc(C)c3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccccc2)c1,CHEMBL155456,9.7
+N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(C(=N)NO)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL298120,6.11
+O=C1N(Cc2cccc(O)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL284136,9.92
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL297133,5.32
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccccc1,CHEMBL49870,8.7
+COC(=O)c1cccc(CN2C(=O)C(=O)N(Cc3cccc(C(=O)OC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL297187,7.4
+O=C1N(Cc2cccc(O)c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL289762,9.52
+O=C1N(Cc2ccc(CO)cc2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL298253,8.6
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)OC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL297493,8.82
+O=C1N(Cc2cccc(O)c2)[C@H](Cc2ccccc2)C(O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL37118,7.48
+CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL285282,8.31
+N#Cc1cccc(CN2C(=O)N(Cc3cccc(C#N)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL296111,5.1
+O=C1N(CC2CC2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL36725,8.215
+O=C1N(Cc2ccccc2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL39749,7.82
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)OC)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL443260,5.48
+COC(=O)c1ccc(CN2C(=O)N(Cc3ccc(C(=O)OC)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)cc1,CHEMBL296549,5.71
+O=C1N(Cc2cccc(CO)c2)[C@@H](CCc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL49823,6.26
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(C)(=O)=O,CHEMBL154798,5.73
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccn1)S(=O)(=O)c1ccccc1,CHEMBL351994,9.3
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)S(C)(=O)=O,CHEMBL154252,7.24
+O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CCCCC1)S(=O)(=O)c1ccccc1)OCc1ccccc1,CHEMBL348282,8.17
+O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)OCc1ccccc1,CHEMBL154197,6.9
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL141265,8.49
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1,CHEMBL351726,9.0
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(C)(=O)=O,CHEMBL154952,7.89
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL347431,8.0
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1,CHEMBL156424,7.21
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1Cl,CHEMBL154600,6.64
+CCCS(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL155051,6.89
+CC(C)CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1,CHEMBL154638,6.53
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CHEMBL347671,8.39
+CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NC(=O)C(Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1,CHEMBL310889,8.4
+CCC(c1cccc(NC(=O)CCNC2C=Cc3ccccc32)c1)c1c(O)c2ccccc2oc1=O,CHEMBL310551,6.96
+CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1,CHEMBL22164,7.42
+COc1ccc2c(O)c(C(c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)C3CC3)c(=O)oc2c1,CHEMBL80529,7.55
+COc1c(C(O)c2ccccc2)c(=O)oc2ccccc12,CHEMBL78493,9.0
+CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NC(=O)Cc3cccnc3)c2)C2CC2)c(=O)o1,CHEMBL78518,7.36
+Cc1cc(SC2=C(O)OC(CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N,CHEMBL38268,9.17
+CCC(c1ccccc1)C1C(=O)OC2CCCCC2C1=O,CHEMBL337439,6.17
+CC(C)(C)C(c1ccccc1)C1C(=O)OC2CCCCCCC2C1=O,CHEMBL133951,5.82
+CCC(c1ccccc1)c1c(O)c2c(oc1=O)CCC2,CHEMBL292913,6.15
+CCC(c1ccccc1)c1c(O)c2c(oc1=O)CCCCC2,CHEMBL297888,6.32
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1)C1C(=O)OC2CCCCC2C1=O,CHEMBL2111883,10.3
+CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CHEMBL16694,6.033
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCC2,CHEMBL129900,10.19
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCC2,CHEMBL132739,10.74
+CCC(c1ccccc1)c1c(O)c2c(oc1=O)CCCC2,CHEMBL57231,5.96
+CCC(c1ccccc1)C1C(=O)OC2CCCCCCC2C1=O,CHEMBL423528,5.92
+CC(C)(C)C(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C1C(=O)OC2CCCCCCC2C1=O,CHEMBL336746,9.7
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCCCC2,CHEMBL335653,9.6
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1)c1c(O)c2c(oc1=O)CCC2,CHEMBL415722,10.12
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C1C(=O)OC2CCCC2C1=O,CHEMBL130283,9.83
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C1C(=O)OC2CCCCCCC2C1=O,CHEMBL133804,9.76
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C1C(=O)OC2CCCCC2C1=O,CHEMBL132577,7.82
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C1C(=O)OC2CCCCCC2C1=O,CHEMBL335737,9.72
+OC(c1ccccc1)C1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C731,CHEMBL409633,6.99
+O=C(O)CCC(=O)NCCc1ccc(C2(c3ccc(CCNC(=O)CCC(=O)O)cc3)C34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C824)cc1,CHEMBL1160519,5.3
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+CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12,CHEMBL3085518,9.4
+CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL337283,9.05
+COC(=O)[C@@H](NC(=S)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)C(C)C,CHEMBL161243,5.47
+O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(O)cc1,CHEMBL35860,9.92
+O=C(Nc1nnc(C(F)(F)F)s1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nnc(C(F)(F)F)s4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL87835,9.74
+COc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313208,10.42
+CC(C)(C)NC(=O)c1cccc(CN2C(=O)N(c3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL87999,9.39
+CN1C(=O)N(C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL328959,5.24
+C=C(C)N1C(=O)N(C(=C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL87503,8.74
+O=C1N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(F)cc1,CHEMBL85771,8.85
+CCCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL314008,9.477
+COc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4ccccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313003,10.33
+CCCCN1C(=O)N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL85915,9.22
+O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1C1CCCC1,CHEMBL87329,9.55
+NNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NN)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL316147,10.74
+CCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL81396,9.68
+CCCCCCN1C(=O)N(CCCCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL314052,8.34
+COCCN1C(=O)N(CCOC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL423500,6.1
+C=CCN1C(=O)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL284314,8.28
+O=C1N(Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccnc1,CHEMBL315639,8.01
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL87408,9.03
+CONC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NOC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313734,10.267
+O=C(NCC(F)(F)F)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC(F)(F)F)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL275024,9.68
+O=C(NCc1ccccc1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCc4ccccc4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL87491,9.37
+O=C(Nc1nccs1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nccs4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL57375,10.57
+O=C1N(Cc2cccc3ccccc23)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc2ccccc12,CHEMBL432566,7.07
+O=C1N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1Cl,CHEMBL419494,6.62
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL87476,8.64
+Nc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4ncc[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313348,10.92
+CCC1COCCN1N1C(=O)N(N2CCOCC2CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL424427,5.4
+O=C1N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(Cl)cc1,CHEMBL87991,8.28
+O=C(Nc1cnccn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL262642,10.73
+C#CCN1C(=O)N(CC#C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL313008,7.66
+O=C1N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL315306,8.44
+O=C(Nc1cccnc1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4cccnc4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL433404,9.54
+O=C(Nc1ncc[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncc[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL291677,10.85
+O=C1N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(Cl)c1,CHEMBL312930,9.05
+CCCCCCCN1C(=O)N(CCCCCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL432190,6.59
+CC(C)CN1C(=O)N(CC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL86874,7.31
+C=C(C)CN1C(=O)N(CC(=C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL313188,8.14
+O=C1N(Cc2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccncc1,CHEMBL315177,7.05
+CCCCN1C(=O)N(CCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL284472,8.85
+CC(C)CCCCN1C(=O)N(CCCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL316256,7.52
+O=C1N(CC2CCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCC1,CHEMBL287355,8.89
+O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL33647,9.51
+CCCN1C(=O)N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL313520,8.96
+O=C(Nc1ncccn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL431017,9.82
+Nc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313288,10.64
+O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL431306,8.696
+O=C1N(Cc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc([N+](=O)[O-])c1,CHEMBL415040,8.55
+O=C1N(Cc2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL315300,8.16
+CC(C)CCCN1C(=O)N(CCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL314984,8.15
+O=C1N(Cc2ccccc2F)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1F,CHEMBL87142,7.47
+CCCCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCCCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL86913,9.37
+O=C(Nc1ccc(C(F)(F)F)cn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccc(C(F)(F)F)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL315825,10.063
+O=C(Nc1ccccn1)c1cccc(CN2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL316407,10.02
+Cc1ccc(CN2C(=O)N(Cc3ccc(C)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL422772,8.24
+COc1ccccc1CN1C(=O)N(Cc2ccccc2OC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL312890,5.73
+C=CCN1C(=O)N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL313732,8.85
+CC(C)NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NC(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL86441,9.24
+O=C(Nc1ccncc1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccncc4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL405189,9.39
+Cc1coc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5nc(C)co5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)n1,CHEMBL89132,10.19
+Nc1cccc(CN2C(=O)N(Cc3ccc4ccccc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL87592,9.0
+COCCOCCN1C(=O)N(CCOCCOC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL314901,5.11
+NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL311499,10.362
+COc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4cccc(C)n4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL316375,10.28
+O=C1N(Cc2cccc(F)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(F)c1,CHEMBL418939,8.52
+O=C1N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(Br)cc1,CHEMBL87919,7.57
+O=C1N(Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL314709,8.28
+Cc1cccnc1NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncccc4C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL85585,9.59
+COc1cc(OC)cc(N2C(=O)N(Cc3cccc(C(=O)Nc4cccc(C)n4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL88016,9.15
+Cc1cc(C)nc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5cc(C)cc(C)n5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)c1,CHEMBL408834,10.767
+O=C(Nc1ccc(Br)cn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccc(Br)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL431027,10.44
+C=COCCN1C(=O)N(CCOC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL313599,7.22
+O=C1N(Cc2ccccn2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccn1,CHEMBL315439,6.84
+Cc1cccc(CN2C(=O)N(Cc3cccc(C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL84734,8.15
+Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5ccc(C)cn5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)nc1,CHEMBL85653,10.97
+O=C(Nc1ncc(Cl)cc1Cl)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncc(Cl)cc4Cl)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL421730,9.613
+O=C1N(CC2CCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCC1,CHEMBL287274,8.37
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL11266,10.62
+COc1cc(OC)cc(N2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313944,8.6
+Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(c4cccc(N)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)nc1,CHEMBL313357,10.12
+CCN1C(=O)N(CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL329184,7.0
+CCOCCN1C(=O)N(CCOCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL87690,5.96
+CCCCCN1C(=O)N(CCCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL420054,8.8
+O=C1N(CC2CCCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCCC1,CHEMBL32828,7.43
+COc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4ccc(C)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL438727,10.16
+CC(C)(C)CCN1C(=O)N(CCC(C)(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL315381,7.44
+COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL89794,6.8
+O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL86959,8.82
+O=C(Nc1ccc(Cl)cn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccc(Cl)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL405187,10.947
+Nc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL315569,10.8
+N#CCNC(=O)c1cccc(CN2C(=O)N(C(=O)CNC(=O)c3ccccc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL89064,10.62
+CC(C)CCCCCN1C(=O)N(CCCCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL420042,6.96
+O=C1N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(Br)c1,CHEMBL315174,8.85
+Cc1cnc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5ncc(C)s5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)s1,CHEMBL313959,10.85
+CCCN1C(=O)N(CCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL32733,8.1
+O=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NO)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL315929,10.7
+O=C(NCC1CC1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC4CC4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL316445,9.13
+O=C1N(Cc2ccc(C(F)(F)F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1,CHEMBL316433,7.29
+O=C1N(Cc2cccc(I)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(I)c1,CHEMBL85294,9.38
+O=C1N(Cc2cccc(O)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL412810,9.48
+N#CCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC#N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL86454,10.2
+CC(C)CCN1C(=O)N(CCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL284491,7.92
+Cc1ccnc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5cc(C)ccn5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)c1,CHEMBL85990,10.553
+Cc1cccc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5cccc(C)n5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)n1,CHEMBL262378,10.7
+Cc1ccnc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5nccc(C)n5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)n1,CHEMBL314058,9.933
+CC(C)(C)NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NC(C)(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313516,8.61
+O=C(Nc1nncs1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nncs4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL280046,9.96
+COc1cc(OC)cc(N2C(=O)N(Cc3cccc(C(=O)Nc4ccc(C)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL86368,8.72
+COc1cc(OC)cc(N2C(=O)N(Cc3cccc(C(=O)Nc4ccccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL316408,9.07
+O=C1N(Cc2cccc(C(F)(F)F)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(C(F)(F)F)c1,CHEMBL314944,7.66
+COc1cccc(CN2C(=O)N(Cc3cccc(OC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL313289,8.8
+Cc1csc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5nc(C)cs5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)n1,CHEMBL86398,10.6
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)N(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1,CHEMBL119490,7.82
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)CNC[C@@H]2Cc2ccccc2)cc1,CHEMBL331441,5.52
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)C3(CCCCC3)NC[C@@H]2Cc2ccccc2)cc1,CHEMBL433187,7.77
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)OC[C@@H]2Cc2ccccc2)cc1,CHEMBL420158,5.82
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)COC[C@@H]2Cc2ccccc2)cc1,CHEMBL120684,6.0
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2CC3(CCCC3)CCO2)cc1,CHEMBL361176,5.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@]3(CCCO3)CCO2)cc1,CHEMBL174561,6.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@]3(CCCO3)CCO2)cc1,CHEMBL175243,7.7
+CCC[C@]1(O)CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL262566,6.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C[C@@]3(CCCO3)CCO2)cc1,CHEMBL178794,6.4
+CCC[C@@]1(O)CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL366691,6.32
+O=C1N(C/C=C/c2cn[nH]c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1C/C=C/c1cn[nH]c1,CHEMBL354831,9.6
+O=C1N(C/C=C/c2cn[nH]c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL167402,9.39
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL21188,8.972999999999999
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)=C(O)O1,CHEMBL21281,8.097000000000001
+CCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)C1C(=O)CC(CC)(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)OC1=O,CHEMBL20565,8.33
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)=C(O)O1,CHEMBL20846,8.517000000000001
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)=C(O)O1,CHEMBL21405,10.0
+CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1)C1C(=O)CC(CC)(c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)OC1=O,CHEMBL22121,10.0
+Nc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N)cc3)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)C(=O)N2Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,CHEMBL427992,10.8
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccc(O)cc2)c1,CHEMBL427809,10.46
+CN(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N(C)C)cc3)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)C(=O)N2Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,CHEMBL274213,10.42
+CCCCCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL406994,10.34
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccc(OCc4ccccc4)cc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccc(OCc3ccccc3)cc2)c1,CHEMBL410740,8.43
+COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)C(=O)N2Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,CHEMBL408252,10.59
+CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL273927,10.16
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](C3CCCCC3)[C@H](O)[C@@H](O)[C@H]2C2CCCCC2)c1,CHEMBL267098,9.54
+CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL269412,8.35
+CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL416885,9.52
+CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL428348,10.42
+CCCCCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCCCCC)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CHEMBL11180,9.46
+O=C1N(Cc2ccccc2)C2CS[C@@H](CCCCCO)C2N1Cc1ccccc1,CHEMBL28619,4.99
+O=C1N(Cc2cccc(Br)c2)C2CS[C@@H](CCCCCO)C2N1Cc1cccc(Br)c1,CHEMBL282172,6.3
+O=C(O)CCCC[C@@H]1SCC2C1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1,CHEMBL29195,5.66
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)C3C2CS[C@H]3CCCCCO)c1,CHEMBL283643,5.43
+CC(=O)c1cccc(COC(=O)CCCC[C@@H]2SCC3C2N(Cc2cccc(C(C)=O)c2)C(=O)N3Cc2cccc(C(C)=O)c2)c1,CHEMBL28850,5.47
+O=C(CCCC[C@@H]1SCC2C1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1)OCc1cccc(Br)c1,CHEMBL29754,6.17
+COC(=O)CCCC[C@H]1C2C(CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1,CHEMBL29252,5.39
+COC(=O)CCCC[C@@H]1SCC2C1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1,CHEMBL281473,6.24
+CC(O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)O)c3)C3C2CS[C@H]3CCCCCO)c1,CHEMBL418765,5.72
+C/C(=N\O)c1cccc(COC(=O)CCCC[C@@H]2SCC3C2N(Cc2cccc(/C(C)=N/O)c2)C(=O)N3Cc2cccc(/C(C)=N/O)c2)c1,CHEMBL408085,5.57
+O=C1N(Cc2cccc(Br)c2)C2CS(=O)(=O)[C@@H](CCCCCO)C2N1Cc1cccc(Br)c1,CHEMBL29671,5.16
+Cn1ccnc1S(=O)(=O)Cc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL338756,8.52
+Cc1ccc(S(=O)(=O)Cc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL131395,8.39
+Cn1ccnc1S(=O)(=O)Nc1cccc(C(c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1,CHEMBL128629,9.14
+N#Cc1ccc(S(=O)(=O)Cc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,CHEMBL131128,8.72
+O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1C(c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1,CHEMBL131821,7.72
+O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1C(c1cccc(CS(=O)(=O)c2ccccn2)c1)C1CC1,CHEMBL127219,8.64
+O=c1oc2c(c(O)c1C(c1cccc(CS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2,CHEMBL131658,8.22
+O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1C(c1cccc(NS(=O)(=O)c2ccccn2)c1)C1CC1,CHEMBL130184,9.18
+O=c1oc2c(c(O)c1C(c1cccc(CS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2,CHEMBL129802,8.72
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+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(cc2)OCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL1790645,6.7
+CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)NC(CC(N)=O)C(=O)N1,CHEMBL84804,5.78
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H]1Cc2ccc(cc2)OCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL1790652,8.4
+CC(C)CCN(C[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1,CHEMBL316144,8.4
+CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)NC(CC(N)=O)C(=O)N1,CHEMBL84650,8.3
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL313508,7.74
+CC(C)(C)NC(=O)CN(Cc1ccccc1)C[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1,CHEMBL419675,4.87
+O=S1C[C@](CO)(Cc2ccccc2)C(O)[C@@](CO)(Cc2ccccc2)C1,CHEMBL3084808,4.935
+OC[C@]1(Cc2ccccc2)C[C@H](O)C[C@](CO)(Cc2ccccc2)[C@H]1O,CHEMBL314082,4.32
+O=C1C[C@](CO)(Cc2ccccc2)C(O)[C@@](CO)(Cc2ccccc2)C1,CHEMBL93117,4.21
+O=C1C[C@](O)(Cc2ccccc2)C(O)[C@@](O)(Cc2ccccc2)C1,CHEMBL330267,5.0
+CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-],CHEMBL166052,7.8
+CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C)C(=O)NCc1ccccn1,CHEMBL355715,6.1
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1,CHEMBL168093,8.4
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL166175,8.1
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+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccn1)C(C)C)C(=O)NCc1ccccn1,CHEMBL433729,8.1
+CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC(C)(C)C,CHEMBL355867,7.85
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1,CHEMBL165706,8.3
+CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1,CHEMBL170551,8.1
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1,CHEMBL167514,8.05
+CCCCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)CC)C(C)C,CHEMBL168779,7.33
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL167442,7.21
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL352967,7.12
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1,CHEMBL165480,7.52
+CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL166640,8.0
+CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C,CHEMBL3350059,9.72
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL406493,8.78
+CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C,CHEMBL3350051,9.8
+CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C,CHEMBL3350055,10.05
+CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C,CHEMBL73050,9.82
+CC(C)[C@@H]1NC(=O)CNC(=O)COc2ccc(cc2)C[C@@H](C(=O)C(F)(F)C(=O)NCc2ccccc2)NC1=O,CHEMBL331994,7.7
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL123016,8.3
+CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2369944,9.62
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CC2COC(C)(C)OC2)C(C)(C)c2ccccc2)CCCC1,CHEMBL316480,8.4
+Cc1cc(SC2=C(O)O[C@](CCc3ccc(N)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO,CHEMBL285759,9.96
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc3c(c2)CCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)CCO3)N1Cc1ccccc1,CHEMBL35642,8.92
+Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)c1,CHEMBL286637,10.4
+CC(=O)c1cc(CN2C(=O)N(Cc3ccc(F)c(C(C)=O)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)ccc1F,CHEMBL34661,9.19
+O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1ccc(O)cc1,CHEMBL287701,10.52
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccc4c(c3)CCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)CCO3)c1,CHEMBL34089,10.32
+O=C1N(CC2CC2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1CC1CC1,CHEMBL36125,9.57
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N1Cc1ccccc1,CHEMBL262387,8.01
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccc4c(c3)N(C)CCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)N(C)CCO3)c1,CHEMBL284097,10.1
+O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1ccc2ccccc2c1,CHEMBL284329,10.4
+COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1,CHEMBL285264,8.1
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1ccc(CO)cc1,CHEMBL285042,10.3
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+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccc4c(c3)OCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCO3)c1,CHEMBL34544,10.37
+COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3cccc(C(C)=O)c3)C(=O)N2Cc2cccc(C(C)=O)c2)cc(OC)c1,CHEMBL35373,9.4
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc3c(c2)OCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCO3)N1Cc1ccccc1,CHEMBL431702,8.945
+Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccc4c(c3)CCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)CCO3)c1,CHEMBL432666,9.96
+CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)[C@H](Cc3ccc4c(c3)CCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)CCO3)c1,CHEMBL285261,9.7
+CC(=O)c1cc(CN2C(=O)N(Cc3ccc(F)c(C(C)=O)c3)[C@H](Cc3ccc4c(c3)OCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCO3)ccc1F,CHEMBL34019,8.82
+O=C1N(Cc2ccccc2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1ccccc1,CHEMBL407310,9.36
+COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)c(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1OC,CHEMBL285948,8.19
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)c1,CHEMBL32889,10.4
+CNc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)c1,CHEMBL35553,9.96
+CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)c1,CHEMBL284947,9.85
+CCN(C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1,CHEMBL274351,7.29
+CCCC(CC)(CC)N(CCO)C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C,CHEMBL97625,6.96
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C2(c3ccccc3)CCCC2)CCCC1,CHEMBL327566,9.4
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CC(CO)CO)C(C)(C)c2ccccc2)CCCC1,CHEMBL330730,8.0
+Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1,CHEMBL328436,7.2
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCc3cccnc3)cc2)CCCC1,CHEMBL328337,8.7
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCCN3CCOCC3)cc2)CCCC1,CHEMBL94707,8.05
+CC(C)(c1ccccc1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1,CHEMBL94850,7.68
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1,CHEMBL328435,8.1
+CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1,CHEMBL408633,5.89
+CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1,CHEMBL94995,8.22
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCC(O)CO)C(C)(C)c2ccccc2)CCCC1,CHEMBL97487,8.0
+CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C,CHEMBL94473,4.47
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2c1,CHEMBL329423,9.7
+CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C,CHEMBL319560,5.96
+CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL317834,4.66
+Cc1ccc(CCC(O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)C)c1,CHEMBL451180,6.82
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(Cl)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1,CHEMBL410271,8.7
+CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1,CHEMBL329699,6.84
+Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1,CHEMBL323530,7.74
+CC(C)(C)N(CCO)C(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)N(CCO)C(C)(C)C,CHEMBL433212,4.74
+CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)[C@@]12CCCC[C@@H]1CCC2,CHEMBL607266,7.19
+CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1,CHEMBL327567,7.05
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(O)cc2)CCCC1,CHEMBL430663,8.22
+CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)C2CCOCC2)CCCC1,CHEMBL273692,7.46
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL357257,7.19
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL120610,8.22
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL334312,5.87
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL358262,6.6
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL342576,5.77
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL148543,6.25
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL359098,5.17
+O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL423946,5.42
+O=C(Nc1nccs1)c1cccc(CN2C(=O)N(CC3CC3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL301213,10.24
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(CC3CC3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL301219,10.43
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL56387,9.6
+O=C(Nc1nccs1)c1cccc(CN2C(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL56117,10.13
+O=C(Nc1ncc[nH]1)c1cccc(CN2C(=O)N(CC3CC3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL412862,10.8
+CCCCN1C(=O)N(Cc2cccc(C(=O)Nc3ncc[nH]3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL57707,10.6
+O=C(Nc1ncc[nH]1)c1cccc(CN2C(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL292905,10.48
+CCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CC)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL74625,10.17
+CC(C)(C)c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(C(C)(C)C)c3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)c1,CHEMBL309865,9.68
+CCCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CCC)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL303838,10.17
+Cc1ccc(C)c(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)ccc3C)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)c1,CHEMBL308568,10.47
+CC(C)(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C(C)(C)C)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL415071,9.72
+Cc1cc(C)cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)cc(C)c3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)c1,CHEMBL73420,10.17
+CCCCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CCCC)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL307030,9.77
+Cc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL432756,10.21
+Cc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(C)c3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)c1,CHEMBL70626,10.96
+CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C(C)C)cc3)N(Cc3ccc4n[nH]c(N)c4c3)C(=O)N2Cc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL72103,9.72
+CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)=C(O)O1,CHEMBL2111769,10.2
+CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)=C(O)O1,CHEMBL2112563,10.74
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)=C(O)O1,CHEMBL326566,8.215
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccccc3)c2)=C(O)O1,CHEMBL115743,7.77
+CCCC1(CCc2ccccc2)C=c2oc(=O)c(C(CC)c3ccccc3)c(O)c2=CC1,CHEMBL137138,7.46
+CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)=C(O)O1,CHEMBL2092977,10.2
+CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)=C(O)O1,CHEMBL2111770,9.92
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL112199,8.18
+COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1,CHEMBL325739,8.02
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2ccc(cc2)OCCCCNC1=O,CHEMBL326070,7.77
+COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1,CHEMBL318803,8.47
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2ccc(cc2)OCCOCCOCCNC1=O,CHEMBL321250,7.9
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCOCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL320800,8.1
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL110585,8.11
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCOCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL109450,8.12
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)NCc2ccc(cc2)OCCOCCNC1=O,CHEMBL320774,8.09
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCOCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL321422,8.12
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O,CHEMBL323763,7.95
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O,CHEMBL113560,8.1
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O,CHEMBL113085,8.16
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2ccc(cc2)OCCOCCOCCOCCNC1=O,CHEMBL110586,7.63
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2cccc(c2)OCCOCCNC1=O,CHEMBL322597,7.16
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2cccc(c2)OCCOCCOCCNC1=O,CHEMBL113423,6.68
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)NCc2ccc(cc2)OCCOCCOCCNC1=O,CHEMBL112801,7.86
+CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O,CHEMBL111906,7.85
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL333407,9.35
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1,CHEMBL325499,8.77
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL122006,9.07
+Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)OCc2ccccn2)cc1,CHEMBL118221,8.18
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL331294,10.05
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cscn1)OCc1ccccn1,CHEMBL118979,8.33
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL333290,9.89
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccno1)OCc1ccccn1,CHEMBL333337,8.92
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL332825,9.89
+Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL117629,9.92
+CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@@H](C)CC,CHEMBL119898,10.7
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cscn1)OCc1ccccn1,CHEMBL118396,9.21
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1,CHEMBL116482,9.3
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)OCc1ccccn1,CHEMBL333781,11.0
+Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL119745,9.57
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1ccccn1,CHEMBL278935,10.52
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL118513,9.17
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1,CHEMBL118362,8.07
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccno1)OCc1ccccn1,CHEMBL334053,9.4
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)OCc1ccccn1,CHEMBL120141,10.15
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1,CHEMBL324157,10.22
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)OCc1ccccn1,CHEMBL325527,10.4
+Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)OCc2ccccn2)cc1,CHEMBL118531,8.82
+Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)OCc2ccccn2)c1,CHEMBL331199,9.4
+O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1,CHEMBL333392,9.07
+CCOC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)C(C)C,CHEMBL333420,10.52
+Cc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL158050,8.92
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCSC2)cc1,CHEMBL161644,8.6
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)S(=O)(=O)c1ccc(N)cc1,CHEMBL350301,8.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1,CHEMBL469086,8.96
+C[C@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL161393,8.85
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)cc1,CHEMBL159580,8.82
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCCC[C@H]23)cc1,CHEMBL422718,8.66
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1,CHEMBL18389,7.06
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)cc1,CHEMBL162086,8.85
+COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCS(=O)(=O)C2)cc1,CHEMBL161005,8.92
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H](O)[C@H](O)C23CCC(CC2)N13,CHEMBL120521,5.2
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)C23CCC(CC2)N13,CHEMBL332613,5.62
+O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@]23CC[C@H]([C@H](OCc4ccccc4)C2)N13,CHEMBL333101,8.05
+O=C1N[C@H](Cc2ccccc2)[C@@H](O)[C@H](O)C23CCC(CC2)N13,CHEMBL119973,4.68
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@]23CC[C@H]([C@H](OCc4ccccc4)C2)N13,CHEMBL120800,6.12
+O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)C23CCC(CC2)N13,CHEMBL332308,5.64
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C,CHEMBL54191,8.29
+CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C,CHEMBL51258,7.65
+Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL432887,8.05
+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C,CHEMBL54009,7.66
+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C,CHEMBL282457,8.85
+CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C,CHEMBL300257,8.65
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1,CHEMBL53076,7.23
+Cc1cccc(C)c1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C,CHEMBL443790,8.32
+CS[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C,CHEMBL52279,9.13
+Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C,CHEMBL300891,9.48
+CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C,CHEMBL299198,9.72
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C,CHEMBL299514,7.6
+CS[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C,CHEMBL53355,10.06
+Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl,CHEMBL416131,9.54
+O=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL148239,5.85
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)OC)c3)[C@H](CCc3ccccc3)[C@H]2CCc2ccccc2)c1,CHEMBL342773,6.33
+N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(C(=N)NO)c3)[C@H](CCc3ccccc3)[C@H]2CCc2ccccc2)c1,CHEMBL342772,7.77
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)OC)c3)[C@H](CCc3ccccc3)[C@H]2[C@@H](O)Cc2ccccc2)c1,CHEMBL358558,7.0
+O=C1N(Cc2cccc(CO)c2)[C@H](CCc2ccccc2)[C@@H](CCc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL146829,7.26
+O=C(Oc1cccc(CN2C(=O)N(Cc3cccc(OC(=O)c4ccccc4)c3)[C@H]([C@@H](F)Cc3ccccc3)[C@H]2[C@@H](F)Cc2ccccc2)c1)c1ccccc1,CHEMBL341647,6.37
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)OC)c3)[C@H](CCc3ccccc3)[C@H]2[C@@H](Br)Cc2ccccc2)c1,CHEMBL342562,6.04
+O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)CC[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL147267,6.77
+O=C1N(CC2CC2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1CC1CC1,CHEMBL146380,6.01
+O=C1N(Cc2cccc(O)c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL147615,6.25
+C=CCN1C(=O)N(CC=C)[C@H]([C@@H](F)Cc2ccccc2)[C@H]1[C@@H](F)Cc1ccccc1,CHEMBL358797,5.6
+O=C1N(Cc2cccc(CO)c2)[C@H]([C@@H](O)Cc2ccccc2)[C@@H](CCc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL357383,7.64
+O=C1N(Cc2cccc(CO)c2)[C@H](CCc2ccccc2)C[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL290864,7.0
+O=C1[C@@H](Cc2ccccc2)C[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL347773,5.03
+O=C1N(Cc2ccccc2)C[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL149063,4.96
+C=CC(C1=C(O)OC(CCC)(CCc2ccccc2)CC1=O)c1ccccc1,CHEMBL143385,7.8
+CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2ccccc2)=C(O)O1,CHEMBL143235,7.46
+CCCC1(c2ccccc2)CC(=O)C(C(CC)c2ccccc2)C(=O)O1,CHEMBL140468,7.02
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2ccccc2)C2CCCC2)=C(O)O1,CHEMBL143663,7.23
+CCCC1(CCC)CC(=O)C(C(c2ccccc2)C2CCCC2)=C(O)O1,CHEMBL143550,7.41
+CCCC1(CCC)CC(=O)C(C(c2ccccc2)C2CC2)=C(O)O1,CHEMBL143758,7.82
+CCC(c1ccccc1)C1C(=O)CC(CC)(c2ccccc2)OC1=O,CHEMBL141143,6.8
+CCC(c1cccc(O)c1)C1C(=O)CC(c2ccccc2)(C2CCCCC2)OC1=O,CHEMBL143135,6.21
+CCCC1(CCC)CC(=O)C(C(CC)c2ccccc2)C(=O)O1,CHEMBL143656,7.66
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2ccccc2)C2CC2)=C(O)O1,CHEMBL142282,7.19
+CCCC1(CCc2ccccc2)CC(=O)C(C(CCc2ccccc2)c2ccccc2)=C(O)O1,CHEMBL143773,7.48
+CCCC1(CCc2ccccc2)CC(=O)C(C(/C=C/c2ccccc2)c2ccccc2)=C(O)O1,CHEMBL143630,7.3
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(c2ccccc2)c2ccccc2)C(=O)O)cc1,CHEMBL337895,6.77
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCc2ccccc2)C(=O)O)cc1,CHEMBL135784,7.49
+COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC,CHEMBL343537,8.46
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)COc2ccccc2)C(=O)O)cc1,CHEMBL338734,7.74
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(N)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL136051,8.16
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CSc2ccccc2)C(=O)O)cc1,CHEMBL342439,7.74
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CS(=O)(=O)c2ccccc2)C(=O)O)cc1,CHEMBL132973,7.7
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(C)Cc2ccccc2)C(=O)O)cc1,CHEMBL336866,7.26
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)O)cc1,CHEMBL135024,8.12
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1,CHEMBL135398,8.21
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1,CHEMBL342152,8.41
+COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)c1OC,CHEMBL344013,8.8
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(CCc2ccccc2)c2ccccc2)cc1,CHEMBL336063,7.28
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL137511,9.23
+CN[C@@H](Cc1ccccc1)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c1ccc(C)cc1,CHEMBL136950,8.68
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1,CHEMBL137139,8.85
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL134735,8.62
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL337537,8.96
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CCc2ccccc2)C(=O)O)cc1,CHEMBL136609,8.16
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2cccc(N)c2)c2ccccc2)cc1,CHEMBL135429,8.12
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1[N+](=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL343709,8.82
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(c2ccccc2)C(C)C)cc1,CHEMBL132927,7.8
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc([N+](=O)[O-])c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL136546,8.92
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(O)=Cc2ccccc2)C(=O)O)cc1,CHEMBL135603,7.85
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(c2ccccc2)c2ccccc2)cc1,CHEMBL135365,7.92
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(C)c2ccccc2)C(=O)O)cc1,CHEMBL336974,7.92
+COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1,CHEMBL137202,8.62
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(Cc2ccccc2)c2ccccc2)C(=O)O)cc1,CHEMBL132606,9.14
+COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1,CHEMBL334410,8.14
+COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1OC,CHEMBL335560,8.54
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL433883,8.64
+COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC,CHEMBL136849,8.62
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2ccccc2)c2ccccc2)cc1,CHEMBL135165,8.12
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)O)cc1,CHEMBL336367,8.82
+CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1F)c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL422458,8.64
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CNc2ccccc2)C(=O)O)cc1,CHEMBL132548,8.11
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC21)C(=O)NCc1ccccn1,CHEMBL1790797,7.28
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@@H]21)C(=O)NCc1ccccn1,CHEMBL1790790,7.35
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(=O)NCCc1scnc1C,CHEMBL1790793,6.89
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)NCc1ccccn1,CHEMBL1790796,8.0
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC21)C(=O)NCCc1scnc1C,CHEMBL1790792,8.4
+CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@@H]21)C(=O)NCc1ccccn1,CHEMBL1790794,7.7
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C,CHEMBL288759,7.62
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL47476,7.0
+Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5ccc(C)cn5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)c2)nc1,CHEMBL286672,10.1
+O=C1N[C@H]([C@@H](O)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL39432,6.49
+O=C1N(CC2CC2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1,CHEMBL36751,6.7
+O=C1N(Cc2ccccc2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL39747,6.73
+N=C(NO)c1cc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL416964,8.85
+N#Cc1cccc(CN2C(=O)N3C(Cc4ccccc4)[C@@H]3[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL289350,5.62
+O=C(Nc1nccs1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nccs4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL286671,10.52
+O=C1N(Cc2ccc3ccccc3c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL289715,7.64
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H]2C(Cc3ccccc3)N12,CHEMBL37947,5.42
+O=C1N(Cc2ccc3ccccc3c2)[C@H](/C=C/c2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL431910,6.55
+O=C1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1,CHEMBL288515,5.82
+N#[N+][N-][C@@H](Cc1ccccc1)[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N1Cc1ccc2ccccc2c1,CHEMBL288045,6.48
+O=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL39979,7.0
+O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H]([C@@H](O)Cc2ccccc2)N1CC1CC1,CHEMBL290809,6.39
+CC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL289473,10.22
+O=C1N(Cc2cccc(CO)c2)[C@H](CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL277389,9.85
+NC(=O)c1cccc(CN2C(=O)N3C(Cc4ccccc4)[C@@H]3[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL38093,6.49
+O=C1N(Cc2ccccc2)[C@H](/C=C/c2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL38059,6.34
+O=C1N(Cc2cccc(O)c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1,CHEMBL37313,7.92
+O=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,CHEMBL40052,6.27
+O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@H]2C(Cc3ccccc3)N12,CHEMBL290888,5.52
+CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2[C@@H](Br)Cc2ccccc2)c1,CHEMBL286596,7.64
+O=C1N(Cc2cccc(CO)c2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL37033,7.96
+N=C(NO)c1cccc(CN2C(=O)N3C(Cc4ccccc4)[C@@H]3[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL39526,7.92
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL264815,8.85
+CC(C)(C)NC(=O)c1ccccc1NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL150908,7.26
+CN(C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)O)C(Cc1ccccc1)C(=O)O,CHEMBL357785,6.85
+COC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(=O)OC)C(C)C)C(C)C,CHEMBL358219,5.85
+CC(C)C(C(=O)O)N(C)C(=O)[C@@H](C[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)C)OCc1ccccc1,CHEMBL150907,8.68
+COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(C(=O)OC)cc3)S2(=O)=O)cc1,CHEMBL133573,7.08
+O=C(CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S1(=O)=O)Nc1nccs1,CHEMBL356225,5.66
+O=S1(=O)N(Cc2ccc(CO)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL340616,8.51
+O=C(NCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL358924,10.0
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,CHEMBL752,9.64
+CCN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(CC)S1(=O)=O,CHEMBL150499,6.15
+CC(C)C(C(=O)O)N(C)C(=O)[C@@H](C[C@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)C)OCc1ccccc1,CHEMBL150068,6.28
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(/C=C/C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(/C=C/C(=O)OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL127045,10.05
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2ccsc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2ccsc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL127214,8.92
+O=S1(=O)N(Cc2cccc(I)c2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(I)c1,CHEMBL439636,7.03
+O=C1N(Cc2ccccc2)C(CCc2ccccc2)[C@H](O)[C@@H](O)C(CCc2ccccc2)N1Cc1ccccc1,CHEMBL150601,6.24
+CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL345603,7.43
+CCC(C)C(C(=O)O)N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)CC,CHEMBL149472,9.04
+CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL348185,6.26
+O=C1N(Cc2ccc(CO)cc2)C(COc2ccccc2)[C@H](O)[C@@H](O)C(COc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL150769,9.64
+CC(C)C(C(=O)O)N(C)C(=O)[C@H](OCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)C,CHEMBL149528,7.4
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2nccs2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2nccs2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL340116,9.24
+O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1,CHEMBL345997,6.04
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+CCCO[C@@H](C(=O)N[C@H](C(=O)NC)C(C)C)[C@H](O)[C@@H](O)[C@@H](OCCC)C(=O)N[C@H](C(=O)NC)C(C)C,CHEMBL347725,5.62
+O=C(NC1c2ccccc2C[C@@H]1O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL264040,9.22
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+O=S1(=O)N(Cc2cccc(CCO)c2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(CCO)c1,CHEMBL337872,7.37
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(C2=C(O)C(=O)CCC2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(C2=C(O)C(=O)CCC2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL338428,9.52
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+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL105459,9.25
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+C/C(=N\O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(/C(C)=N/O)c3)S2(=O)=O)c1,CHEMBL150626,8.397
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+CC(C)(C)C(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)C(C)(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL304410,8.44
+COC(=O)c1cccc(CN2C(=O)N(Cc3cccc(-c4cc[nH]n4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL64300,9.85
+O=Cc1cccc(CN2C(=O)N(Cc3cccc(C=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL294331,9.36
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+C/C(=N/O)c1cccc(CN2C(=O)N(Cc3cccc(/C(C)=N/O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL431174,10.74
+O=C1N(Cc2cccc(/C(=N/O)C(F)(F)F)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(/C(=N\O)C(F)(F)F)c1,CHEMBL294295,8.41
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+CCCC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)CCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL304411,8.85
+CC/C(=N/O)c1cccc(CN2C(=O)N(Cc3cccc(/C(CC)=N/O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL303128,10.51
+CCC/C(=N/O)c1cccc(CN2C(=O)N(Cc3cccc(/C(CCC)=N/O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL292858,10.51
+CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O,CHEMBL3350104,6.29
+O=S1(=O)N(Cc2cccc(I)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(I)c1,CHEMBL3350114,7.03
+O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2cccc(I)c2)S1(=O)=O)Nc1nccs1,CHEMBL3350095,6.29
+COC(Cc1cccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3cccc(CC(OC)OC)c3)S2(=O)=O)c1)OC,CHEMBL3350110,6.27
+CNC(=O)c1cccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3cccc(C(=O)NC)c3)S2(=O)=O)c1,CHEMBL3350106,7.41
+O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2cccc(-c3cccs3)c2)S1(=O)=O)Nc1nccs1,CHEMBL3350094,6.85
+CNC(=O)CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O,CHEMBL3350097,5.85
+O=S1(=O)N(Cc2ccc(CO)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL3350109,8.51
+O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2ccc(-c3cccs3)cc2)S1(=O)=O)Nc1nccs1,CHEMBL3350091,5.745
+O=S1(=O)N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1,CHEMBL3350100,7.07
+CNC(=O)c1cccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3ccccc3)S2(=O)=O)c1,CHEMBL3350096,7.96
+O=S1(=O)N(Cc2cccc(CCO)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(CCO)c1,CHEMBL3350098,7.37
+CNC(=O)CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(CC(=O)NC)S1(=O)=O,CHEMBL3350112,4.6
+O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O)Nc1nccs1,CHEMBL3350102,6.46
+O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1,CHEMBL3350108,5.66
+COC(=O)c1ccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3ccc(C(=O)OC)cc3)S2(=O)=O)cc1,CHEMBL3350113,7.08
+O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S1(=O)=O)Nc1nccs1,CHEMBL3350105,5.66
+CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(C)S1(=O)=O,CHEMBL3350111,6.15
+COC(=O)c1ccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1,CHEMBL3350103,8.14
+CC(=O)c1cccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3cccc(C(C)=O)c3)S2(=O)=O)c1,CHEMBL3350099,7.23
+O=S1(=O)N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1,CHEMBL3350101,7.2
+O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1,CHEMBL3350107,5.22
+O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1,CHEMBL3350090,6.04
+CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL298903,5.1
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC,CHEMBL3143743,6.01
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2371783,7.96
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Sc1cccs1)[C@H](O)[C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325074,9.3
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](SCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](SCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL324945,8.55
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL317031,9.117
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL326730,8.74
+CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL114622,8.74
+C=CCS[C@@H](C(=O)NC1c2ccccc2C[C@H]1O)[C@H](O)[C@@H](O)[C@@H](SCC=C)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL114258,7.8
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](SCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](SCc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL333630,8.37
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL326514,8.64
+CNC(=O)[C@@H](NC(=O)[C@H](Sc1cccs1)[C@H](O)[C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL325525,9.0
+CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL114629,9.24
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Sc1ccccn1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccn1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL444062,6.55
+CC(C)C(NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O,CHEMBL155384,5.88
+CCC(C)C(NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)O,CHEMBL157945,7.74
+CC(C)C(NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C,CHEMBL158033,9.0
+CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C,CHEMBL2371769,4.89
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2371777,6.11
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC,CHEMBL3143737,5.34
+COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(C)C,CHEMBL49026,4.41
+CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2311136,7.68
+CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL417012,5.58
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC1CCCCC1)N(C(C)=O)C(C)(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL3143738,7.15
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL3143736,7.68
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC,CHEMBL3143739,6.38
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC,CHEMBL3143731,9.22
+CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL52494,5.97
+COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C,CHEMBL2371768,7.74
+C/C(=N/O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(/C(C)=N\O)c3)S2(=O)=O)c1,CHEMBL133517,8.47
+CC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(C(C)=O)c3)S2(=O)=O)c1,CHEMBL340986,7.23
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)c2)C(C)(C)C)=C(O)O1,CHEMBL119906,8.64
+CCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)C1C(=O)CC(CC(C)C)(CC(C)C)OC1=O,CHEMBL116798,8.52
+CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL2112566,9.92
+CCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)C1C(=O)CC(COCCOCCOC)(COCCOCCOC)OC1=O,CHEMBL118073,7.55
+CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL2111771,9.52
+CCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)C1C(=O)CC(CCC2CC2)(CCC2CC2)OC1=O,CHEMBL332043,8.77
+CCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)C1C(=O)CC(C23CC4CC(CC(C4)C2)C3)OC1=O,CHEMBL333924,7.64
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)C(C)(C)C)=C(O)O1,CHEMBL325454,8.72
+CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL2112562,10.22
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C(C)(C)C)=C(O)O1,CHEMBL117856,7.92
+CCCCCC1(CCCCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1,CHEMBL116265,8.59
+CCCC1(CCC)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)=C(O)O1,CHEMBL324579,9.28
+CCCC1(CCc2ccc(F)cc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL117500,8.52
+CCC(C1=C(O)OC(CCc2ccccc2)(CCc2ccccc2)CC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1,CHEMBL116965,9.0
+CCCC1(CCC)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(C)(C)C)C(=O)O1,CHEMBL117719,9.06
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)=C(O)O1,CHEMBL117638,9.15
+CCCC1(CCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1,CHEMBL118006,8.74
+CCCC1(CCc2ccccc2)CC(=O)C(Cc2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1,CHEMBL324994,7.89
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(N)cn3)c2)C(C)(C)C)=C(O)O1,CHEMBL116068,9.7
+CCC[C@]1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)=C(O)O1,CHEMBL332684,10.74
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(C)(C)C)=C(O)O1,CHEMBL117389,8.37
+CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(C)(C)C)=C(O)O1,CHEMBL421230,8.92
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL341024,7.01
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL128696,8.52
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL125420,9.15
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2cccnc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2cccnc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL123850,9.52
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2cccs2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2cccs2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL333399,8.92
+CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL326386,6.95
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325038,8.96
+CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL325450,9.4
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](CCc1ccccc1)[C@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325891,7.55
+Nc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL308649,8.11
+CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL71447,5.96
+CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(CC2CC2)C(=O)N1CC1CC1,CHEMBL433293,7.07
+CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(CC2CC2)C(=O)N1CC1CC1,CHEMBL70056,5.6
+CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1,CHEMBL66817,5.41
+CSc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(SC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL303625,8.47
+CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL306194,5.77
+COc1ccccc1C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2OC)N(CC2CC2)C(=O)N1CC1CC1,CHEMBL304520,7.19
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(F)cc2)N1Cc1ccc(CO)cc1,CHEMBL308694,9.36
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccncc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccncc2)N1Cc1ccc(CO)cc1,CHEMBL262503,8.32
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+COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(CC3CC3)C(=O)N2CC2CC2)cc1,CHEMBL70041,8.54
+COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccc(CO)cc3)C(=O)N2Cc2ccc(CO)cc2)c1,CHEMBL433497,9.96
+COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1,CHEMBL304327,8.33
+O=C1N(CC2CC2)[C@H](Cc2cccs2)[C@H](O)[C@@H](O)[C@@H](Cc2cccs2)N1CC1CC1,CHEMBL67813,8.04
+COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)c1,CHEMBL68904,9.06
+O=C1N(Cc2ccccc2)[C@H](Cc2ccoc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccoc2)N1Cc1ccccc1,CHEMBL66007,8.08
+O=C1N(Cc2ccc(CO)cc2)[C@H](CC2CCCCC2)[C@H](O)[C@@H](O)[C@@H](CC2CCCCC2)N1Cc1ccc(CO)cc1,CHEMBL308695,7.49
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccc(F)c(F)c2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(F)c(F)c2)N1Cc1ccc(CO)cc1,CHEMBL431762,9.33
+O=C1N(CC2CC2)[C@H](Cc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N1CC1CC1,CHEMBL303035,8.37
+CC(C)[C@@H]1[C@H](O)[C@@H](O)[C@@H](C(C)C)N(CC2CC2)C(=O)N1CC1CC1,CHEMBL433123,6.6
+COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)cc(OC)c1,CHEMBL70210,8.57
+CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1,CHEMBL69743,7.42
+C[C@@H]1[C@H](O)[C@@H](O)[C@@H](C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL432336,5.3
+CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C(C)C)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL73225,8.96
+O=C1N(Cc2ccccc2)[C@H](Cc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1ccccc1,CHEMBL69457,6.24
+O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2O)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2O)N1Cc1ccccc1,CHEMBL68793,7.46
+CN(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N(C)C)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL303151,7.34
+Nc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(N)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1,CHEMBL443792,8.55
+O=C1N(Cc2ccccc2)[C@H](Cc2ccncc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccncc2)N1Cc1ccccc1,CHEMBL304153,7.66
+CS(=O)(=O)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(S(C)(=O)=O)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1,CHEMBL68086,8.6
+COc1ccccc1C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL304108,7.22
+Cc1ccc(C)n1-c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(-n4c(C)ccc4C)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1,CHEMBL431552,6.8
+O=C1N(CC2CC2)[C@H](Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(F)cc2)N1CC1CC1,CHEMBL303422,8.24
+O=C1N(Cc2ccccc2)[C@H](CC2CCCCC2)[C@H](O)[C@@H](O)[C@@H](CC2CCCCC2)N1Cc1ccccc1,CHEMBL69632,7.55
+CSc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(SC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1,CHEMBL421488,8.6
+CN(C)c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(N(C)C)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1,CHEMBL302585,8.37
+O=C1N(CC2CC2)[C@H](Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H](Cc2cccc(O)c2)N1CC1CC1,CHEMBL69746,7.89
+O=C1N(Cc2cccc(CCO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL312358,10.3
+Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(Cc4ccc5n[nH]cc5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)nc1,CHEMBL310691,10.32
+CC(=O)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL312672,10.44
+O=C(O)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL310124,10.31
+O=C1N(Cc2cccc(Cn3ccnn3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL78949,9.96
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-n1cccn1,CHEMBL78674,10.35
+O=C1N(Cc2cccc(-c3nnc[nH]3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL311515,10.39
+O=C1N(Cc2cccc(Cn3cncn3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL312382,10.27
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-c1cc[nH]n1,CHEMBL80182,10.6
+O=C(Nc1ccccn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL82363,10.29
+O=C1N(Cc2ccc(F)c(NCc3nc4ccccc4[nH]3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL312659,10.55
+Cc1cccc(NC(=O)c2cccc(CN3C(=O)N(Cc4ccc5n[nH]cc5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)n1,CHEMBL312030,10.4
+O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL311496,9.49
+Cc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1N,CHEMBL310677,10.3
+O=C(Cn1ccnn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL312366,10.68
+O=C1N(Cc2cccc(NCc3nc4ccccc4[nH]3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL312796,10.8
+O=C1N(Cc2cccc(NCc3nc4ccccc4s3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL311267,10.23
+O=C1N(Cc2cccc(O)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL433136,10.35
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL311298,10.52
+O=C(Cn1nccn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL81514,10.34
+O=C(Cn1cncn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL312349,10.66
+O=C(Cc1cccs1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL312054,9.64
+CNc1cc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL78504,10.57
+NC(=O)c1cc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL79149,10.74
+O=C(Nc1nccs1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL311474,10.8
+CNc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL311724,10.41
+Nc1cc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,CHEMBL420944,10.74
+CN(C)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL311773,9.64
+O=C(Cn1cccn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL310973,10.2
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-n1cncn1,CHEMBL310125,10.54
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1F,CHEMBL312674,10.44
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-n1nccn1,CHEMBL79023,10.23
+O=C1N(Cc2cccc(Cn3nccn3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL309238,10.09
+COC(=O)Cc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL309557,9.96
+Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-n1ccnn1,CHEMBL311944,10.47
+O=C(Cc1ccccn1)c1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL311079,10.14
+O=C1N(Cc2cccc(Cn3cccn3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]cc2c1,CHEMBL312562,9.77
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccc(CO)cc1,CHEMBL338844,9.66
+O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccoc2)N1Cc1ccc(CO)cc1,CHEMBL340958,9.31
+COc1cc(CN2C(=O)N(CC3CC3)N(Cc3ccccc3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O,CHEMBL366386,10.21
+COc1cccc(CN2C(=O)N(Cc3cccc(OC)c3)N(Cc3ccccc3)C[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL129862,9.66
+O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccc(O)cc1,CHEMBL130078,10.15
+CC(C)CN(C[C@@H](O)[C@@H](/C=C/[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL50945,9.42
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1,CHEMBL299578,10.0
+Cc1c(N)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL349200,7.31
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Cl,CHEMBL162685,7.8
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2ncccc12,CHEMBL354231,6.95
+Cc1c(C(=O)N[C@@H](CSc2ccc3ccccc3c2)[C@H](O)Cc2ccccc2C(=O)NC(C)(C)C)cccc1[N+](=O)[O-],CHEMBL351391,6.27
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2[nH]ccc12,CHEMBL352143,6.79
+Cc1c(N)cc(N)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL351437,8.3
+Cc1ccc(O)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL351021,6.3
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1ccnc2ccccc12,CHEMBL162866,6.58
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Br,CHEMBL351819,7.48
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2cnccc12,CHEMBL445642,6.1
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCNC2,CHEMBL164093,6.74
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCCN2,CHEMBL353119,7.62
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCN2,CHEMBL349662,6.78
+CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(O)c1Cl,CHEMBL162065,7.82
+Cc1ccc(N)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C,CHEMBL164089,7.77
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)N1ONc2ccccc21,CHEMBL94384,10.0
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)NC(C)(C)C,CHEMBL96348,7.38
+O=C1N(Cc2ccc3sc(=O)[nH]c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2sc(=O)[nH]c2c1,CHEMBL319509,6.89
+O=C1N(Cc2ccc3[nH]c(=O)sc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]c(=O)sc2c1,CHEMBL98785,9.04
+O=C1Cc2cc(CN3C(=O)N(Cc4ccc5c(c4)CC(=O)N5)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)ccc2N1,CHEMBL316732,9.85
+O=C1N(Cc2ccc3c(c2)NS(=O)(=O)N3)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2c(c1)NS(=O)(=O)N2,CHEMBL316939,9.72
+O=C1N(Cc2ccc3nc[nH]c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2nc[nH]c2c1,CHEMBL320219,7.96
+O=C1N(Cc2ccc3[nH]c(=O)oc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]c(=O)oc2c1,CHEMBL98826,9.74
+Nc1nc2ccc(CN3C(=O)N(Cc4ccc5nc(N)[nH]c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc2[nH]1,CHEMBL329711,8.24
+O=C1N(Cc2ccc3[nH]ccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]ccc2c1,CHEMBL99013,8.89
+Nc1nc2ccc(CN3C(=O)N(Cc4ccc5nc(N)oc5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc2o1,CHEMBL441350,9.7
+O=C1N(Cc2ccc3[nH]c(=O)cnc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]c(=O)cnc2c1,CHEMBL99032,6.31
+Nc1nc2cc(CN3C(=O)N(Cc4ccc5sc(N)nc5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)ccc2s1,CHEMBL330404,6.72
+O=C1N(Cc2ccc3oc(=O)[nH]c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2oc(=O)[nH]c2c1,CHEMBL99033,8.41
+O=C1Nc2ccc(CN3C(=O)N(Cc4ccc5c(c4)C(=O)C(=O)N5)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc2C1=O,CHEMBL97836,9.09
+O=C1CNc2cc(CN3C(=O)N(Cc4ccc5c(c4)NCC(=O)N5)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)ccc2N1,CHEMBL317976,8.21
+O=C1N(Cc2ccc3c[nH]nc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2c[nH]nc2c1,CHEMBL320005,10.74
+O=C1N(Cc2ccc3[nH]c(=S)oc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]c(=S)oc2c1,CHEMBL330405,8.32
+Nc1nc2ccc(CN3C(=O)N(Cc4ccc5nc(N)sc5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc2s1,CHEMBL95271,8.24
+O=C1N(Cc2ccc3ncoc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ncoc2c1,CHEMBL330619,8.47
+O=C1N(Cc2ccc3n[nH]nc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2n[nH]nc2c1,CHEMBL99174,10.05
+O=C1N(Cc2ccc3scnc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2scnc2c1,CHEMBL318851,7.55
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL320893,8.89
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL317263,8.75
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL322026,8.72
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL422961,8.49
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL431241,8.48
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL317690,8.3
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL107965,8.95
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL431648,8.7
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL322669,8.78
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL104324,8.7
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL319704,8.4
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL431422,8.79
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL320936,8.15
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL105138,8.76
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL317236,8.41
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL107428,8.27
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL102228,8.74
+CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C,CHEMBL103927,8.7
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL105245,7.47
+CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1,CHEMBL104966,8.04
+CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL322027,7.77
+CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL317654,6.82
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Br)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL318389,7.64
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)OCc1nc2ccccc2[nH]1)C(C)C,CHEMBL321298,7.54
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1ccccn1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL317652,6.7
+CCOC(=O)[C@@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL316801,5.92
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C,CHEMBL105752,7.97
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL319672,8.21
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL104512,7.77
+CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL317617,7.54
+CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)NCc1ccccc1,CHEMBL105301,7.29
+CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL100944,7.48
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+Cc1cc(SC2=C(O)OC(CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1O,CHEMBL171729,8.96
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+Cc1cc(SC2=C(O)OC(CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O,CHEMBL169849,9.08
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,CHEMBL296947,5.33
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+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)NC(=O)NC(=O)[C@@H](N)C(C)C,CHEMBL42946,4.7
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1,CHEMBL288010,8.4
+CCCCCCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1,CHEMBL288792,7.85
+CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCCCCC(=O)O)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL296992,7.22
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+CC(=O)Nc1ccc(S(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)cc1,CHEMBL42402,8.0
+CCC(C)N(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1,CHEMBL288907,8.7
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)NC(=O)NCc1ccccc1,CHEMBL288400,6.5
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)NC(=O)NC(C)(C)C,CHEMBL45310,7.92
+COc1ccc(CCN(C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)S(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL42715,8.52
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc2ccccc2c1,CHEMBL296937,9.0
+CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL297171,8.1
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1cccc2cccnc12,CHEMBL46967,6.53
+CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(C2CCCC2)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL288008,8.52
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)NC(=O)NC1CCCCC1,CHEMBL296936,6.68
+CC(C)(O)c1cccc(CN2C(=O)N(Cc3cccc(C(C)(C)O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL431831,10.17
+CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@@H](CO)C(=O)N(C)c1ccccn1,CHEMBL2304049,8.1
+CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12,CHEMBL315366,7.52
+CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@H](C(=O)N(C)c1ccccn1)[C@@H](C)O,CHEMBL2304002,8.0
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL86651,9.0
+O=C(NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1)OCc1ccccc1,CHEMBL86925,9.22
+CC(C)(C)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL87473,6.19
+CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,CHEMBL313955,9.52
+CCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O,CHEMBL107561,6.3
+CC(C)C(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)[nH]1,CHEMBL326473,9.22
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+CCC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL80098,7.04
+CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O,CHEMBL321654,9.15
+CCCC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL419921,6.82
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(O)CN[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL107849,6.92
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C=O)[nH]1,CHEMBL106776,5.46
+CC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL104285,6.43
+CC(C)C(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL108016,7.08
+CC(O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL448480,4.88
+CC(C)C(O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL104523,5.57
+NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1,CHEMBL305923,7.48
+C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,CHEMBL15049,5.27
+NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1cc2ccccc2[nH]1,CHEMBL310255,5.89
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+NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,CHEMBL311686,6.32
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+NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1cc2ccccc2[nH]1,CHEMBL308583,7.37
+Cc1cccc(C(NC(=O)CC[C@H](O)C(Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c2cc3ccccc3[nH]2)c1,CHEMBL75397,7.41
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+CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL343608,7.96
+CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL434266,7.85
+C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL138637,8.16
+O=C(Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1)c1ccccc1,CHEMBL140074,7.38
+O=c1oc2c(c(O)c1C(c1ccccc1)C1CC1)CCCCCCC2CC1CCCCO1,CHEMBL341707,6.92
+CCNC(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL139397,7.14
+O=c1oc2c(c(O)c1C(c1ccccc1)C1CC1)CCCCCCC2CC1CC1,CHEMBL335789,7.62
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+CCC(c1ccccc1)c1c(O)c2c(oc1=O)C(C)CCCCCC2,CHEMBL139850,6.48
+O=C(Cc1ccccc1)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL139519,7.48
+O=C(Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1)c1ccc(F)cc1,CHEMBL138205,7.26
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+O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCCC2Cc1ccccc1,CHEMBL139434,6.59
+O=C(/C=C/c1ccccc1)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL139070,6.33
+O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCCC2,CHEMBL344442,7.24
+O=C(Nc1ccccc1)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL436210,6.35
+CCCCC1CCCCCCc2c1oc(=O)c(C(c1ccccc1)C1CC1)c2O,CHEMBL137977,7.51
+CCC(c1ccccc1)c1c(O)c2c(oc1=O)C(Cc1ccccc1)CCCCCC2,CHEMBL343811,6.58
+C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL343963,7.49
+CC(C)CC1CCCCCCc2c1oc(=O)c(C(c1ccccc1)C1CC1)c2O,CHEMBL138147,7.52
+CCCC(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL137841,6.62
+CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL336038,7.37
+CC(C)(C)OC(=O)NCC(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL138388,8.26
+CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C(c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,CHEMBL342947,8.52
+OC1=C(C(c2ccccc2)C2CC2)COC2=C1CCCCCCC2,CHEMBL137832,7.93
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)CP(=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O,CHEMBL307236,9.22
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+CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(C)(C)C)C(C)C)C(=O)NCc1ccccn1,CHEMBL3350609,7.15
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+CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C,CHEMBL301728,7.7
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+O=C(NCc1cncs1)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1cncs1,CHEMBL124684,5.15
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+CCCCc1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1,CHEMBL78534,4.59
+CC(C)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC=O)C(C)C)[nH]1,CHEMBL81517,8.34
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+CCC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1,CHEMBL81775,5.43
+CC(C)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)[nH]1,CHEMBL407551,9.22
+CCC(CC)C(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL83739,7.34
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(=O)C2CCCC2)[nH]1,CHEMBL312709,6.82
+CC(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(C)C)[nH]1)C(C)C,CHEMBL421709,8.1
+CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(C)C)[nH]1)C(C)C,CHEMBL309773,6.82
+CCc1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1,CHEMBL83384,5.7
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1nnc[nH]1,CHEMBL79570,5.24
+CCC(C)C(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL81190,7.28
+CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(C)C)[nH]1)C(C)C,CHEMBL419286,9.0
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(=O)c2ccccc2)[nH]1,CHEMBL432179,5.11
+CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(C)C)[nH]1)C(C)C,CHEMBL78531,8.55
+CNC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL309195,5.43
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1nccs1,CHEMBL312136,5.52
+CCC(O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1,CHEMBL315930,6.14
+COC(=O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1,CHEMBL79719,5.74
+COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C(C)C)[nH]1)C(C)C,CHEMBL79698,8.68
+N#CC(C(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1,CHEMBL278214,4.11
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1c[nH]c2ccccc12)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL17314,4.74
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)CC1CCCCC1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL17163,4.82
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL276357,5.64
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc2ccccc2c1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL274748,4.42
+CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H](N)Cc1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL17124,4.27
+N#CC(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1,CHEMBL17085,4.52
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F,CHEMBL16813,6.32
+CC(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F,CHEMBL277272,5.15
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)c1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL17266,4.52
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc([N+](=O)[O-])cc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL17316,4.22
+CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc(OCc2ccccc2)cc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1,CHEMBL429953,4.92
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1)C(C)C)C(C)C,CHEMBL412382,6.25
+CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1,CHEMBL3350218,7.92
+CCC(C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)Cc2ccc(cc2)OCCCCCNC1=O,CHEMBL331945,9.22
+CCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)NC1=O,CHEMBL127462,7.92
+CC(=O)N[C@@H](CO)C(=O)N[C@H]1CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC(=O)[C@H](C(C)C)NC1=O,CHEMBL125573,9.47
+CCCC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL341317,9.51
+CCCOC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL339721,7.35
+CCCC[C@@H]1NC(=O)[C@@H](NC(C)=O)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL339204,8.55
+CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1,CHEMBL125323,9.05
+CC(=O)Nc1ccc(S(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2)cc1,CHEMBL340749,8.7
+CCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O,CHEMBL124423,8.52
+CCCC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)NC1=O,CHEMBL125538,8.12
+CCCOC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)NC1=O,CHEMBL126363,7.35
+COC(=O)C(NC(=O)C(NC(=O)[C@H](C)N1CCC(C(C)N(C)C(C)C(=O)O)=CC(Cc2ccccc2)C1)C(C)C)C(C)C,CHEMBL321166,6.37
+CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL432614,9.22
+CN(Cc1ccccn1)C(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2[C@H](C(=O)N(C)Cc3ccccn3)C2(C)C)C1(C)C,CHEMBL290847,7.1
+CC1(C)[C@@H](C(=O)NCc2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@H](C(=O)NCc2ccccc2)C1(C)C,CHEMBL418617,9.51
+O=C(NCc1ccccc1)[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1,CHEMBL287929,9.77
+C[C@@H]1[C@@H](C(=O)NCc2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccccc1,CHEMBL43518,9.33
+C[C@H]1[C@@H](C(=O)NCc2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1ccccc1,CHEMBL433446,9.8
+CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C,CHEMBL314324,5.66
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+CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C,CHEMBL96099,5.92
+CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C,CHEMBL327878,4.08
+CC(C)(C)NC(=O)c1c(CC[C@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12,CHEMBL330693,6.32
+CC(C)(C)NC(=O)c1c(CC[C@@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12,CHEMBL95137,4.6
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+O=C1N(CCN2CCOCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCN1CCOCC1,CHEMBL332212,5.4
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+CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NC(=O)Cc3ccncc3)c2)C2CC2)c(=O)o1,CHEMBL119970,7.36
+CCC(c1ccccc1)c1c(O)c2ccc(OC)cc2oc1=O,CHEMBL121394,6.25
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+CCC(c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1)c1c(O)c2ccccc2oc1=O,CHEMBL120430,5.36
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+CCC(c1cccc(NC(=O)CCn2ccc3ccccc32)c1)c1c(O)c2ccccc2oc1=O,CHEMBL420883,6.96
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+O=c1oc(-c2ccccc2)cc(O)c1C(CC1CC1)SC1CCCC1,CHEMBL170316,10.16
+N#CCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC(=O)O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL131268,10.62
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+O=C(Nc1ccccn1)c1cccc(CN2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL434427,10.02
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+Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(N)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)nc1,CHEMBL434612,10.12
+COc1cc(CN2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc(OC)c1,CHEMBL132231,8.6
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+Cc1cccc(C(NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)CC(NC(=O)c2ccc3ccccc3n2)C(=O)O)c2cc3ccccc3[nH]2)c1,CHEMBL278413,7.41
+O=C(CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(=O)O)NC(c1ccccc1)c1cc2ccccc2[nH]1,CHEMBL278745,6.7
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+N#CN=C1N(Cc2ccc(C#N)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(C#N)cc1,CHEMBL290336,6.89
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+O=C1N(Cc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1,CHEMBL405765,7.49
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+N#CN=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,CHEMBL32143,7.7
+N#CN=C1N(Cc2cccc(C#N)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(C#N)c1,CHEMBL285498,7.57
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+N#CN=C1N(Cc2ccc(OCc3ccccc3)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(OCc2ccccc2)cc1,CHEMBL32884,6.05
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+C=CCN1C(=NC#N)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL286869,7.43
+N#CN=C1N(CC2CCCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCCC1,CHEMBL286456,8.24
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+CC(C)=CCN1C(=NC#N)N(CC=C(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL34656,7.52
+CC(C)CCN1C(=NC#N)N(CCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL289234,8.42
+N#CN=C1N(Cc2cccc(N)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(N)c1,CHEMBL287049,8.13
+N#CN=C1N(Cc2cccc(OCc3ccccc3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(OCc2ccccc2)c1,CHEMBL284087,5.86
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+N#CN=C1N(Cc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1,CHEMBL35901,7.17
+N#CN=C1N(Cc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc([N+](=O)[O-])c1,CHEMBL286668,7.05
+N#CN=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1,CHEMBL291234,8.77
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+N#Cc1cccc(CN2C(=O)N(Cc3cccc(C#N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,CHEMBL286531,8.52
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+Nc1ccc(CN2C(=O)N(Cc3ccc(N)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL287220,8.96
+N#Cc1ccc(CN2C(=O)N(Cc3ccc(C#N)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1,CHEMBL35980,7.28
+CCCN1C(=NC#N)N(CCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,CHEMBL35405,7.85
+N#CN=C1N(CC2CCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCC1,CHEMBL286791,8.82
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+N#CN=C1N(Cc2ccc(N)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(N)cc1,CHEMBL285903,7.6
+CC[C@H](C)[C@@H]1NC(=O)[C@@H](C(N)C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O,CHEMBL1794029,8.52
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+Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,CHEMBL443,8.0
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+CCO[C@@H](C(=O)NC(=O)[C@@H](C)C(C)C)[C@H](O)[C@@H](O)[C@@H](O)C(=O)NC(=O)[C@@H](C)C(C)C,CHEMBL1161739,5.62
+O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2ccccc2)N1Cc1ccc(O)cc1,CHEMBL183451,8.86
+O=C(c1ccccc1)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N1Cc1ccc(O)cc1,CHEMBL182611,11.0
+COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(OC)cc1)C(C)(C)C,CHEMBL189903,10.05
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC(C)C)cc1,CHEMBL365641,7.85
+CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL365573,8.49
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OCC(C)C)cc1,CHEMBL190779,8.4
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC2CCCCC2)cc1,CHEMBL187387,8.55
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC2CCCC2)cc1,CHEMBL372059,8.8
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OCC2CCCCC2)cc1,CHEMBL363469,7.92
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2)cc1,CHEMBL187776,7.66
+COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCOC2)OC2CCCC2)cc1,CHEMBL371589,9.72
+Nc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)OC2CCCCC2)cc1,CHEMBL362524,10.74
+C=CCCCCC(NC(=O)c1cccc(O)c1OCC=C)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL194770,7.92
+COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C2CCCCC=CCOc3c(O)cccc3C(=O)N2)cc1,CHEMBL426812,8.7
+CCCCCCCC(NC(=O)c1cccc(O)c1O)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL372010,6.57
+COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C2CCCCCCCOc3c(O)cccc3C(=O)N2)cc1,CHEMBL191880,9.0
+C=CCCCCC(NC(=O)c1cccc(O)c1OCCC=C)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL195666,8.7
+COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C2CCCCCCCCOc3c(O)cccc3C(=O)N2)cc1,CHEMBL195791,9.15
+C=CCCCCC(NC(=O)c1cccc(O)c1OCCCC=C)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL372224,8.05
+COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C2CCCCCCCCCOc3c(O)cccc3C(=O)N2)cc1,CHEMBL364086,8.7
+C=CCCCCC(NC(=O)c1cccc(O)c1OCCC=C)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL191830,7.7
+CC(C)CN(CC(O)C1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL192190,8.52
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL360398,10.3
+O=C(C[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL361109,9.96
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCc2ccccc2)cc1,CHEMBL183175,9.89
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL361110,10.22
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1,CHEMBL365219,9.89
+O=C(C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL185338,9.85
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCN2CCOCC2)cc1,CHEMBL362274,8.89
+O=C(C[C@@H](Cc1ccc(OCCO)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL369733,10.7
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCO)cc1,CHEMBL360440,9.52
+O=C(C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL362856,10.7
+O=C(C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCC(=O)N2CCOCC2)cc1,CHEMBL362602,10.0
+O=C(C[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL360895,10.15
+COCCOCCOc1ccc(C[C@H](CC(=O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)C(=O)NC2c3ccccc3C[C@H]2O)cc1,CHEMBL182268,10.7
+O=C(C[C@@H](Cc1ccc(OCCOC(=O)C2CCOCC2)cc1)C(=O)NC1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL362491,10.3
+CN1CCN(C(=O)COc2ccc(C[C@H](CC(=O)CN3C(=O)[C@@H](Cc4ccccc4)C[C@@H]3Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)cc2)CC1,CHEMBL182470,10.3
+NC(=O)COc1ccc(C[C@H](CC(=O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)C(=O)NC2c3ccccc3C[C@H]2O)cc1,CHEMBL359493,10.15
+COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL361650,8.44
+COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1OC,CHEMBL361651,8.54
+CC(C)CCN([C@H](CO)CCCCNC(=S)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL181920,8.0
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)Cc2ccncc2)C(=O)O)cc1,CHEMBL181972,8.43
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(C(C)C)C(C)C)C(=O)O)cc1,CHEMBL436079,6.52
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL182802,7.82
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL182573,7.92
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL367830,7.47
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL369119,7.05
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1ccc(N)cc1,CHEMBL360336,7.96
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2c1OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL181544,8.27
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(N)cc1,CHEMBL359902,7.92
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL367805,8.48
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL182870,8.59
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)S(=O)(=O)c1ccc(N)cc1,CHEMBL182421,8.7
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccsc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL359888,8.2
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL362171,8.7
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL183266,8.7
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL361145,8.6
+COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL180841,8.66
+CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL182042,8.77
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCCc2ccccc2)C(=O)O)cc1,CHEMBL182808,6.69
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)C(C)C)C(=O)O)cc1,CHEMBL365612,7.72
+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1,CHEMBL181700,8.24
+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2c1OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL365462,8.4
+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL361373,8.39
+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)S(=O)(=O)c1ccc(N)cc1,CHEMBL182935,8.85
+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL182766,8.66
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+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL182366,8.52
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+CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(N)cc1,CHEMBL185313,8.27
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+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)CC1Cc1ccccc1,CHEMBL363187,10.22
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+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccc(F)c2)CC1Cc1ccccc1,CHEMBL186347,8.49
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+C[C@]1(Cc2ccccc2)C[C@H](Cc2ccccc2)N(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1=O,CHEMBL3037829,6.77
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+N#Cc1cccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL186668,10.3
+N#Cc1ccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)cc1,CHEMBL365479,9.47
+Nc1cccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL365480,10.0
+Nc1ccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)cc1,CHEMBL184445,8.64
+O=C(NC1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C(Cc2cccc(O)c2)C[C@@H]1Cc1ccccc1,CHEMBL361045,10.3
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+NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL187307,10.0
+N#CCOc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL363227,10.1
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+O=C(NCCOCCO)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL183577,9.62
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+CCOC(=O)CNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL363501,10.0
+CCNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL185194,9.7
+NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccc(OCCO)cc3)C(=O)NC3c4ccccc4C[C@H]3O)C2=O)c1,CHEMBL364878,10.3
+COC(=O)C(Cc1ccccc1)NC(=O)C1C(O)C(=O)N1C(C(=O)NCC1N=Cc2cncnc21)c1ccccc1,CHEMBL364046,4.2
+O=C(OCc1ccccc1)C1CC(=O)N1C(C(=O)NCC1N=Cc2cncnc21)c1ccccc1,CHEMBL436121,4.22
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H](C)O,CHEMBL2369717,6.66
+CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL449777,5.52
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C(=O)O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL364211,5.31
+C[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC(=O)[C@@H](C)Cc1ccc(O)cc1,CHEMBL1161740,5.3
+CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,CHEMBL178424,7.55
+O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1,CHEMBL359477,7.67
+Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL178890,7.76
+Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL427133,7.85
+Cc1ccc(S(=O)(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL179323,7.58
+O=C(N[C@@H](CCCCNc1cccc2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21,CHEMBL359544,7.98
+Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL181238,8.1
+Cc1ccc(S(=O)(=O)N(CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC(C)C)cc1,CHEMBL263233,8.7
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL178605,9.48
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL361986,7.71
+CCC(CC)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(C)cc1,CHEMBL361993,7.82
+CCC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(C)cc1,CHEMBL361994,7.87
+Cc1ccc(S(=O)(=O)N(CC2CC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL178490,8.41
+Cc1ccc(S(=O)(=O)N(CC2CCCC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL369291,8.28
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccccc1,CHEMBL181347,7.73
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(C(C)(C)C)cc1,CHEMBL360031,6.59
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1cccc2ccccc12,CHEMBL360452,7.26
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(F)cc1,CHEMBL178104,7.76
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1cccs1,CHEMBL180913,7.38
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL181767,8.14
+CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(N)cc1,CHEMBL178421,8.68
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL425700,6.74
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL369790,7.05
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)O)cc1,CHEMBL180987,6.98
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)OC2c3ccccc3-c3ccccc32)cc1,CHEMBL178441,6.97
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(N)=O)cc1,CHEMBL180597,6.97
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(N)=S)cc1,CHEMBL181940,6.9
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=N)N)cc1,CHEMBL360674,6.55
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)NO)cc1,CHEMBL360505,6.61
+Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)NN)cc1,CHEMBL180608,6.6
+CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL195072,5.52
+CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)C(C)O)C(=O)N[C@@](C)(C(N)=O)c1cccc2ccccc12,CHEMBL1791339,6.9
+CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)[C@H](C)O)C(=O)NC(Cc1ccc([N+](=O)[O-])c(O)c1)C(N)=O,CHEMBL1791340,6.79
+CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(N)=O,CHEMBL1791341,6.5
+CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1791342,6.44
+CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O,CHEMBL1791318,6.38
+CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O)C(=O)NC(CO)C(N)=O,CHEMBL192120,6.99
+CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O)C(=O)NC(CO)C(N)=O,CHEMBL371173,6.99
+CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O)C(=O)NC(CO)C(N)=O,CHEMBL191721,6.97
+CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(OCc2ccccc2)cc1)C(C)O)C(=O)NC(CO)C(N)=O,CHEMBL262486,6.96
+CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC(CO)C(N)=O,CHEMBL1791327,6.95
+CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC(CO)C(N)=O,CHEMBL1791328,6.85
+CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC(CO)C(N)=O,CHEMBL1791330,6.8
+CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(=O)NC(CO)C(N)=O,CHEMBL1791331,6.69
+CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)NC(CO)C(N)=O,CHEMBL1791333,6.56
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL195426,6.65
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(C(=O)O)C1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL262466,6.6
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL366178,6.57
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL407897,6.57
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(CC1CCCCC1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL372504,6.55
+CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL190450,6.42
+CC(C)C(NC(=O)CC[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O,CHEMBL359790,5.19
+CC(C)C(NC(=O)[C@H](C)C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O,CHEMBL188944,6.59
+CCC[C@H](C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(N)=O)C(C)C,CHEMBL186528,7.3
+CC(C)C[C@H](C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(N)=O)C(C)C,CHEMBL189134,7.64
+CC(C)C(NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O,CHEMBL364773,8.85
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)[C@@H](O)CCC(=O)NC(C(N)=O)C(C)C,CHEMBL185745,5.6
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)NC(C(N)=O)C(C)C,CHEMBL187249,7.3
+CCC[C@H](C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)NC(C(N)=O)C(C)C,CHEMBL427340,7.7
+CC(C)C[C@H](C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)NC(C(N)=O)C(C)C,CHEMBL188916,8.41
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC(C(N)=O)C(C)C,CHEMBL187379,9.22
+COC(=O)C(NC(=O)C(NC(=O)CC[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL359891,6.93
+COC(=O)C(NC(=O)C(NC(=O)[C@H](C)C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL188255,8.8
+CCC[C@H](C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)C,CHEMBL363028,9.22
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+COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL3143748,9.22
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+CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C,CHEMBL3143754,8.92
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+Nc1cc(N2C(=O)N(c3ccc(F)c(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F,CHEMBL179103,9.6
+NC(=O)c1cccc(N2C(=O)N(c3cccc(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL179761,10.06
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+Nc1cccc(N2C(=O)N(c3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL179250,8.77
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+CNc1cccc(N2C(=O)N(c3cccc(NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL181166,8.31
+Nc1cccc(N2C(=O)N(c3cccc(N)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL426424,5.32
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+N#Cc1cccc(N2C(=O)N(c3cccc(C#N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,CHEMBL179367,7.96
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+O=C1N(c2cccc(O)c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1c1cccc(O)c1,CHEMBL359753,9.52
+NC(=O)c1cc(N2C(=O)N(c3ccc(F)c(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)ccc1F,CHEMBL366431,8.85
+Nc1ccc(N2C(=O)N(c3ccc(N)c(F)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)cc1F,CHEMBL181514,8.1
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+COC(=O)c1ccc(N2C(=O)N(c3ccc(C(=O)OC)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)cc1,CHEMBL180120,5.71
+CNc1cccc(N2C(=O)N(c3cccc(NC)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL180655,6.11
+Nc1cc(N2C(=O)N(c3ccc(F)c(N)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)ccc1F,CHEMBL179666,5.1
+NC(=O)c1cccc(N2C(=O)N(c3cccc(C(N)=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1,CHEMBL181507,5.48
+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1,CHEMBL371457,7.225
+O=C(COc1ccc(Cl)cc1Cl)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1,CHEMBL436088,5.15
+COc1cc(Br)c(C(=O)N[C@@H](Cc2cccc(Br)c2)[C@H](O)C[C@H](CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1OC,CHEMBL382513,5.51
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+Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(N(C)C)cc1,CHEMBL383583,6.27
+Cc1cccc(C)c1OCC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)C[C@@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1,CHEMBL194238,5.85
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL370127,7.64
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)C[C@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL198534,6.06
+CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL372806,7.74
+COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)C,CHEMBL197165,8.05
+COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL436755,8.22
+COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL198645,5.66
+CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL369929,7.2
+CC(C)(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL370132,7.66
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(Br)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL197500,8.62
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccc(Br)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL438804,7.77
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(C#Cc2ccccn2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL382131,7.66
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(C#Cc2ccccc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL410469,7.64
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(/C=C/c2ccccc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL205359,7.85
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(-c2ccncc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL382872,7.03
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(-c2cccnc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL381169,7.92
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(-c2ccccn2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL381168,7.82
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(-c2ccccc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL383290,7.64
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(Br)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL204055,7.74
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cc3ccccc3s2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL381588,8.46
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccc3c(c2)OCO3)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL205176,7.96
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cnccn2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL380970,8.68
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2c(C)noc2C)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL382473,8.42
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(C#Cc2cccnc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL380522,8.11
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(C#Cc2ccccn2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL436952,8.05
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(C#Cc2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL437507,7.82
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(/C=C/c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL206509,7.96
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccncc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL381326,8.26
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cccnc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL206467,8.3
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL381770,7.92
+COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL202963,7.7
+COC(=O)N[C@H](C(=O)NN(Cc1cccc(C#Cc2cccnc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C,CHEMBL1203922,7.74
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)C1(C)C(=O)Nc2ccccc21,CHEMBL383311,8.37
+O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CCC12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12,CHEMBL378588,6.9
+C=CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)C1(CC=C)C(=O)Nc2ccccc21,CHEMBL381783,8.3
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)C1(C)C(=O)N(C)c2ccccc21,CHEMBL377051,7.3
+COc1ccc2c(c1)C(C)(N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)C(=O)N2,CHEMBL206603,6.94
+CC1(N(Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21,CHEMBL205758,7.59
+CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)C1(C)C(=O)Nc2ccccc21,CHEMBL380622,8.15
+C=CCCC1(N(CC=C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21,CHEMBL204790,7.33
+COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)Nc3ccc(C)n(CC(=O)Nc4ccc(C)n(CC(=O)OC(C)(C)C)c4=O)c3=O)cc2c1)C(C)C)C(C)C,CHEMBL386205,5.08
+CC[C@H](C)[C@H](NC(=O)Cn1c(C)ccc(NC(=O)CCCOc2ccc3ccc(OCCCC(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc3c2)c1=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O,CHEMBL426149,5.01
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)NNC(=O)c3cc(NC(C)=O)ccc3OC)C(C)C)cc2c1)C(C)C)C(C)C,CHEMBL212749,6.7
+CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1,CHEMBL377249,8.28
+CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(N)cc1,CHEMBL213012,9.85
+COc1ccc(S(=O)(=O)N(CC2CCCC2)N2C(=O)C3(CCOCC3)OC[C@@H]2Cc2ccccc2)cc1,CHEMBL383924,7.64
+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)[C@@H](CCC(N)=O)OC[C@@H]2Cc2ccccc2)cc1,CHEMBL384749,7.31
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+COc1ccc(S(=O)(=O)N(CC2CCCC2)C[C@@H](O)CN2C(=O)[C@@H](CCC#N)OC[C@@H]2Cc2ccccc2)cc1,CHEMBL385929,7.96
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+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL373518,10.8
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+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(F)c2)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL266948,9.97
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+CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)OC2=O)c1,CHEMBL266947,10.49
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(F)c(F)c2)C(=O)O1)S(=O)(=O)c1ccc(N)cc1,CHEMBL374709,9.64
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+CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)OC2=O)c1,CHEMBL220079,8.7
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL414279,8.0
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+CC(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc3cccs3)S(=O)(=O)c3cc(F)c(F)cc3F)OC2=O)cc1,CHEMBL269291,6.78
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+O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H]1CN(c2ccccc2)C(=O)O1,CHEMBL412998,6.77
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+CC(C)C[C@H](NC(=O)OC1CCCC1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1,CHEMBL218359,7.07
+O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1)OC1CCCC1,CHEMBL385816,7.01
+Cc1ccc(C)c(N2CCN(Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)CC2)c1,CHEMBL386847,7.49
+Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)nn2)CC1,CHEMBL262738,7.64
+Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCOC3)nn2)CC1,CHEMBL386848,7.08
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)[N-][N+]#N,CHEMBL216912,4.51
+Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2[C@@H](C)O)CC1,CHEMBL405393,7.55
+Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2[C@H](C)O)CC1,CHEMBL407802,7.68
+Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1,CHEMBL269769,8.1
+CC[C@@H](O)c1c(CN2CCN(c3cc(C)ccc3C)CC2)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1,CHEMBL428624,7.38
+CC[C@H](O)c1c(CN2CCN(c3cc(C)ccc3C)CC2)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1,CHEMBL267645,7.57
+Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3[C@@H](C)O)CC2)c1,CHEMBL386849,7.6
+Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3[C@H](C)O)CC2)c1,CHEMBL262751,8.0
+Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3CO)CC2)c1,CHEMBL262496,7.85
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C,CHEMBL376450,6.05
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C,CHEMBL267184,6.28
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C,CHEMBL267183,6.38
+COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)[C@@H](C)O,CHEMBL375566,5.82
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)nc2c1)C(C)C)C(C)C,CHEMBL375050,6.89
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C,CHEMBL376190,6.39
+COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C,CHEMBL375250,6.64
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1)C(=O)N[C@H](C(N)=O)[C@@H](C)O,CHEMBL388957,5.64
+COC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)[C@@H](C)O,CHEMBL376817,7.1
+CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@H](C)O,CHEMBL224644,6.4
+CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C(C)C)[C@H](C)CC)[C@@H](C)O)nc2c1)[C@@H](C)O)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL376602,5.72
diff --git a/chembl_200/CHEMBL244.csv b/chembl_200/CHEMBL244.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d561099002c0983102025c930da5ee98ab021c16
--- /dev/null
+++ b/chembl_200/CHEMBL244.csv
@@ -0,0 +1,3306 @@
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccnc(N)c3c2)n1,CHEMBL140290,9.48
+N=C(N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(C(=O)O)c2)C(=O)NCC(=O)N[C@H]2CCCN(C(=N)N)C2O)CC1,CHEMBL163482,7.8
+N=C(N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C(=N)N)C2O)CC1,CHEMBL164419,7.64
+CN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1,CHEMBL281838,8.92
+CN(C)C(=N)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1,CHEMBL20438,9.05
+Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL21052,8.1
+Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL20897,8.28
+Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20918,9.15
+CN(C)C(=N)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1,CHEMBL279486,9.15
+Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL21140,8.41
+Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL280925,8.41
+Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL20488,8.55
+Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20391,9.0
+CN(C)C(=N)c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1,CHEMBL21250,9.15
+Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL21179,8.39
+CC(=N)N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL176243,9.22
+CN1CCN=C1N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL175130,9.52
+CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL369086,8.89
+CN(C)NCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL176671,9.52
+CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C(=N)N,CHEMBL174558,10.0
+C[N+](C)(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL174499,9.0
+CNC(=N)N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL369681,9.7
+N=C1OCCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL367953,8.82
+NC1=NCCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL172360,9.3
+CN1CCN=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1,CHEMBL294121,8.72
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL45407,7.68
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL20934,8.62
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL279091,8.96
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN(C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL20766,8.62
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN(C)C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20832,8.74
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL20604,8.77
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL277949,8.82
+Cc1cc(C(=O)Nc2ccc(N3CCOCC3=O)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL279212,9.52
+Cc1cc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20660,8.96
+Cc1cc(C(=O)Nc2ccc(N3CCOCC3=O)cc2F)n(-c2cc3ccccc3cc2F)n1,CHEMBL21125,9.3
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL280696,8.85
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20536,8.74
+Cc1cc(C(=O)Nc2ccc(N3CCOCC3=O)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20714,9.3
+Cc1cc(C(=O)Nc2ccc(-n3ccnc3C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20603,8.54
+Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL21065,8.74
+Cc1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL280947,8.55
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL277679,8.72
+Cc1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL279287,8.89
+Cc1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL20561,8.49
+Cc1cc(C(=O)Nc2ccc(N3CCOCC3=O)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1,CHEMBL281175,9.1
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL21027,8.47
+Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2ccc3cc(Cl)ccc3c2)n1,CHEMBL20299,8.6
+COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2NC(=O)c2ccc(N(C)C)cc2)cc1,CHEMBL169975,7.94
+O=C1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL347406,6.02
+O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL157760,7.32
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)nc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL161309,8.4
+Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21,CHEMBL422706,8.52
+O=C(O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21,CHEMBL161158,6.81
+O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL350963,7.64
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c[n+]([O-])ccc2[nH]1,CHEMBL161432,7.42
+O=C1CN(S(=O)(=O)CCc2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL158339,6.89
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL350169,8.4
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2o1,CHEMBL351435,5.91
+Nc1nccc2[nH]c(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)cc12,CHEMBL348778,5.99
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cc[nH]cc-2n1,CHEMBL353793,7.35
+COC(=O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21,CHEMBL158689,7.74
+O=C1CN(S(=O)(=O)c2cc3ccc(Br)cc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL350666,8.52
+NC(=O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21,CHEMBL422365,8.1
+O=C1CN(S(=O)(=O)c2cc3ncc(Cl)cc3s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL422716,5.92
+O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2n1CCO,CHEMBL157813,8.52
+Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)C(=O)C3)ccc12,CHEMBL158933,9.1
+O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1,CHEMBL423417,8.96
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL3349045,8.51
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(c3ccccc3)c3ccccc3)O[C@@H]1C2,CHEMBL418050,8.37
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36744,8.14
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL290577,8.59
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL287918,7.89
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291026,9.24
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288176,7.64
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL285285,8.92
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL139063,8.222000000000001
+Cn1cc(CC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c2cc(C(=N)N)ccc21,CHEMBL342036,7.05
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)c2c1,CHEMBL136986,9.15
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343784,6.92
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)c2c1,CHEMBL136215,8.51
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL138956,8.47
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)Cc1c[nH]c2ccc(C(=N)N)cc12,CHEMBL137499,8.64
+CCOC(=O)C(CCc1ccc(C(=N)N)cc1)Cn1cnc2cc(C(=N)N)ccc21,CHEMBL139682,5.66
+CCOC(=O)C(CCc1ccc(C(=N)N)cc1)Cn1cnc2ccc(C(=N)N)cc21,CHEMBL136591,4.92
+N=C(N)c1ccc2c(c1)ncn2CC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL136297,5.57
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2cc(C(=N)N)ccc21,CHEMBL140016,6.85
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1,CHEMBL343827,6.66
+N=C(N)c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL343495,8.62
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3I)c2c1,CHEMBL341920,9.22
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL343380,8.1
+CN(C(=O)Cc1c[nH]c2ccc(C(=N)N)cc12)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL138478,7.39
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Br)c2c1,CHEMBL336661,9.49
+N=C(N)c1ccc2cnn(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL136100,8.51
+CCOC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL139124,7.03
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL136846,8.585
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL139432,8.15
+CCOC(=O)C(CCc1cccc(C(=N)N)c1)Cn1cnc2ccc(C(=N)N)cc21,CHEMBL337785,6.15
+CCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2c[nH]c3ccc(C(=N)N)cc23)cc1,CHEMBL342168,8.39
+N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1,CHEMBL138709,9.2
+N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL139970,6.62
+N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2)cc1,CHEMBL141259,5.41
+N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL335340,6.4
+COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL18767,8.89
+COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(=N)N)c1,CHEMBL279267,8.51
+CCOC(=O)[C@]1(C)CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL275582,7.59
+CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(=N)N)c1,CHEMBL18578,8.74
+N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@@H]2C(=O)O)c1,CHEMBL277366,6.34
+COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL19075,6.77
+COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL18225,8.395
+N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@H]2C(=O)O)c1,CHEMBL435761,6.22
+CCCCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL429068,7.92
+CN(C)C(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL19090,6.4
+N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@H]2C(N)=O)c1,CHEMBL19038,6.82
+CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL276782,8.24
+COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@@H]1c1cccc(C(=N)N)c1,CHEMBL277994,7.89
+CC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,CHEMBL18627,7.44
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL96433,7.11
+COc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL96493,5.05
+N=C(N)c1ccc2nc(-c3c(O)cccc3O)[nH]c2c1,CHEMBL93269,5.3
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL92251,6.03
+Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL48608,7.14
+N=C(N)c1ccc2nc(-c3cccc([N+](=O)[O-])c3O)[nH]c2c1,CHEMBL327789,5.89
+Cc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL52427,6.435
+N=C(N)c1ccc2nc(-c3cc(F)ccc3O)[nH]c2c1,CHEMBL92277,5.17
+N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL327715,5.68
+N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,CHEMBL328772,7.37
+N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1,CHEMBL92883,6.47
+N=C(N)c1ccc2nc(-c3cccc(Br)c3O)[nH]c2c1,CHEMBL330244,6.52
+N=C(N)c1ccc2nc(-c3cccc(F)c3O)[nH]c2c1,CHEMBL96494,6.05
+N=C(N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1,CHEMBL319997,5.0
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1,CHEMBL316334,7.11
+N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1,CHEMBL92250,5.11
+N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1,CHEMBL433501,4.85
+N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1,CHEMBL284805,5.57
+N=C(N)c1ccc2nc(-c3cc(Br)ccc3O)[nH]c2c1,CHEMBL94254,5.24
+CCN(CC)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL330460,4.6
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1,CHEMBL94775,7.85
+Cc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL433179,4.8
+Cn1c(-c2cccc(-c3ccccc3)c2O)nc2ccc(C(=N)N)cc21,CHEMBL96428,4.52
+N=C(N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL318363,5.17
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,CHEMBL330234,7.05
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1,CHEMBL321510,4.37
+COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL94139,4.8
+Cc1cc(Br)c(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL95097,6.24
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1,CHEMBL91962,6.68
+Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL92964,5.0
+COc1c(-c2ccccc2)cccc1-c1cc2cc(C(=N)N)ccc2[nH]1,CHEMBL318526,4.72
+Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL92865,5.03
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1Cl,CHEMBL125153,5.28
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F,CHEMBL127909,5.89
+COc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(=N)N,CHEMBL126707,4.59
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl,CHEMBL339902,4.72
+NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1,CHEMBL154680,6.44
+N=C(N)c1cccc(-n2cccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL152274,9.1
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)cc1,CHEMBL153946,6.42
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,CHEMBL422351,6.32
+CCCCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL347931,10.22
+N=C(N)c1cccc(-n2cc(Br)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL346834,9.54
+N=C(N)c1cccc(-c2nocc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL153611,9.82
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152859,11.0
+Cc1cc(C(=O)N(C)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL358834,7.96
+Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL421808,10.39
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(CN)c2)n1,CHEMBL156775,6.05
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3F)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152276,9.34
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL154512,10.4
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL444074,8.89
+N=C(N)c1cccc(-n2nccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL356016,9.8
+NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL154504,6.04
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(C(=N)N)c2)n1,CHEMBL422688,10.7
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(CN)c2)n1,CHEMBL134736,8.57
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL347846,10.82
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL152854,10.904000000000002
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,CHEMBL154572,5.8
+N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1,CHEMBL48813,8.927
+COC(=O)C(Cc1cccc(C(=N)N)c1)C(C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL110419,9.05
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,CHEMBL73737,9.3
+O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cc[nH]cc-2n1,CHEMBL275368,7.74
+Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12,CHEMBL316053,7.66
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,CHEMBL330572,9.15
+N=C(N)c1cccc(/C=C2/CCCC/C(=C\c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL325022,6.85
+N=C(N)c1cccc(/C=C2\CCCC/C(=C\c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL326552,5.85
+N=C(N)c1cccc(/C=C2/CCCC/C(=C/c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL331437,8.25
+Cc1cc(OCc2ccc(C(=N)N)cc2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL168290,4.77
+Cc1cc(OCc2cccc(C(=N)N)c2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL170911,5.57
+COC(=O)CNC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL155632,5.62
+COC(=O)CC(CCc1ccc(N)cc1)c1cccc(C(=N)N)c1,CHEMBL156765,5.3
+CCOC(=O)CC(CCc1ccccc1)c1cccc(C(=N)N)c1,CHEMBL435638,5.54
+COC(=O)CC(CCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156161,8.05
+CNC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156472,6.03
+CCOC(=O)CC(CCc1cccc(C(=N)N)c1)c1ccc(C(=N)N)cc1,CHEMBL158207,5.78
+CONC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL347640,5.62
+CCOC(=O)CC(CCc1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1,CHEMBL156578,4.64
+COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(=N)N)c1,CHEMBL348038,5.96
+COC(=O)CC(CCc1ccc(C(N)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL155871,6.26
+CC(C)OC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL439642,6.72
+COC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL156702,7.47
+COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(C(=N)N)c1,CHEMBL436026,6.18
+CCOC(=O)CC(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL155820,7.38
+N=C(N)c1ccc(CCC(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL157601,5.29
+N=C(N)c1ccc(CCC(CC(=O)O)c2cccc(C(=N)N)c2)cc1,CHEMBL347586,5.85
+COC(=O)CC(CCc1ccc(C(=O)OC)cc1)c1cccc(C(=N)N)c1,CHEMBL156043,5.55
+COC(=O)CC(CCc1cccc(C(=N)N)c1)c1cccc(C(=N)N)c1,CHEMBL156367,5.55
+COC(=O)CC(CCCCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1,CHEMBL351329,7.24
+N=C(N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(C(=N)N)c2)cc1,CHEMBL158063,5.94
+N=C(N)c1cccc(Oc2ccc(NC(=O)c3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL295263,6.92
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL48604,7.23
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL48691,5.96
+N=C(N)c1cccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL50127,7.28
+CC(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL49295,7.28
+N=C(N)c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL48206,6.22
+N=C(N)c1cccc(Oc2cc(Oc3ccccc3C(=N)N)ccc2[N+](=O)[O-])c1,CHEMBL50972,6.52
+N=C(N)c1cccc(Oc2ccc(C(=O)NCC(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL49358,6.16
+N=C(N)c1cccc(Oc2cncc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL45785,7.29
+N=C(N)c1cccc(Oc2c[n+]([O-])cc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL48497,6.74
+CCOC(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL48161,6.72
+N=C(N)c1cccc(Oc2cc(Oc3ccccc3C(=N)N)ccc2N)c1,CHEMBL49370,5.96
+CNC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48409,7.22
+CN(C)C(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL52479,7.49
+CS(=O)(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL48595,6.89
+N=C(N)c1cccc(OC2N=C(Oc3cccc(C(=N)N)n3)CNC2=O)c1,CHEMBL50961,6.72
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL298415,6.4
+CCOC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48827,7.47
+N=C(N)c1ccc(Oc2cccc(Oc3ccccc3C(=N)N)n2)cc1,CHEMBL51824,6.89
+N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)cc2F)c1,CHEMBL424036,7.62
+N=C(N)c1cccc(Oc2nccc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL45732,6.92
+COc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL48965,7.64
+Cc1c(F)c(Nc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL50909,6.18
+Cc1c(F)c(N(C)c2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL49958,7.01
+N=C(N)c1ccc(Oc2nc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL49786,6.21
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL48199,6.01
+CNC(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL51482,7.23
+N=C(N)c1cccc(Oc2ccc(C(=O)O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL46077,7.02
+N=C(N)c1cccc(Oc2ccc(NC(=O)Nc3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL300622,7.21
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL49636,7.89
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL52205,7.92
+N=C(N)c1cccc(Oc2cc(C(N)=O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL296532,7.38
+N=C(N)c1cccc(Oc2ccc(N)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL47264,7.28
+N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(Cl)cc2Cl)c1,CHEMBL48864,6.89
+N=C(N)c1cccc(Oc2ccc(C(F)(F)F)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL50714,6.96
+CNC(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL296530,6.64
+N=C(N)c1cccc(Oc2ccc(NC(=O)NCC(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL296618,6.96
+N=C(N)c1cccc(N2CCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL329127,6.4
+N=C(N)c1ccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)cc1,CHEMBL93480,5.12
+N=C(N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1,CHEMBL327254,5.29
+N=C(N)c1ccc(N2CCCCN(c3cccc(C(=N)N)c3)C2=O)cc1,CHEMBL91654,6.1
+N=C(N)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL330125,5.68
+N=C(N)c1cccc(N2CCCCN(C3CCN(C(=N)N)CC3)C2=O)c1,CHEMBL327814,5.6
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL421370,6.99
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL72318,9.39
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)nc3c2NC(=O)CO3)c1,CHEMBL71975,6.97
+Cc1nc2c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)nc2n1Cc1ccccc1,CHEMBL72527,8.0
+Cc1nc2c(Oc3cc(C(=N)N)ccc3O)nc(Oc3cccc(C(=O)N(C)C)c3)nc2n1Cc1ccccc1,CHEMBL305809,9.38
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)nc3c2NC(=O)CN3)c1,CHEMBL307989,7.09
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N(C)C)c2)c1F,CHEMBL70730,7.1
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL73193,9.976
+CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(=N)N)ccc4O)n2)NC(=O)CN3)c1,CHEMBL71175,7.72
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL420540,7.65
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL338788,4.28
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1,CHEMBL123142,4.8
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1,CHEMBL121982,5.12
+O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL123759,4.85
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cn1,CHEMBL421437,5.08
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1,CHEMBL122331,5.36
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)c1)C(C1CCCCC1)C1CCCCC1,CHEMBL421272,4.57
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL122801,5.0
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cn1,CHEMBL96486,4.03
+CCOC(=O)c1ccc(CCOC(=O)N[C@H](CC2CCN(C(=N)N)CC2)C(=O)NCC(=O)N[C@H]2CCCN(C(=N)N)C2O)cc1,CHEMBL164418,7.8
+COC(=O)N[C@H](CC1CCN(C(=N)N)CC1)C(=O)NCC(=O)N[C@H]1CCCN(C(=N)N)C1O,CHEMBL162277,7.64
+Nc1ncc2c(n1)CCC(CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C2,CHEMBL164239,4.24
+O=C(O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1,CHEMBL164985,4.07
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1,CHEMBL352605,4.07
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1,CHEMBL442980,4.09
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL137780,6.09
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL135815,6.3
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1,CHEMBL135998,5.28
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL135041,5.89
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1,CHEMBL336844,6.19
+N=C(N)c1ccc(S(=O)(=O)NCC(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)O)cc1,CHEMBL133027,4.74
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1,CHEMBL135198,5.06
+N=C(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(C(=N)N)cc2)C(=O)O)cc1,CHEMBL341933,5.44
+COC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL423699,5.74
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1,CHEMBL137311,5.15
+CC(=N)N1CCC(Oc2ccc(C(=O)NCCOc3cccc(C(=N)N)c3)cc2)CC1,CHEMBL51796,6.77
+N=C(N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL293045,7.37
+N=C(N)c1cccc(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,CHEMBL55770,7.7
+CC(=N)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C(=N)N)ccc3CCC(=O)O)cc2)CC1,CHEMBL55486,6.48
+N=C(N)c1ccc(C(=O)N[C@@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1,CHEMBL443477,7.55
+CC(=N)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C(=N)N)ccc3C=C(O)C(=O)O)cc2)CC1,CHEMBL292235,7.7
+N=C(N)c1ccc(C=C(O)C(=O)O)c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,CHEMBL55139,8.52
+N=C(N)c1ccc(C(=O)NCCOc2cc(C(=N)N)ccc2C=C(O)C(=O)O)cc1,CHEMBL52932,7.59
+N=C(N)c1cccc(OCCNC(=O)c2ccccc2)c1,CHEMBL55364,5.55
+N=C(N)c1ccc(C=C(O)C(=O)O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL55500,7.68
+CC(=N)N1CCC(Oc2ccc(C(=O)N[C@@H](COc3cc(C(=N)N)ccc3C=C(O)C(=O)O)CC(=O)O)cc2)CC1,CHEMBL55237,7.96
+N=C(N)c1ccc(C=C(O)C(=O)O)c(OC[C@@H](CC(=O)O)NC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL301368,7.74
+N=C(N)c1ccc(C(=O)NCCOc2cccc(C(=N)N)c2)cc1,CHEMBL55363,6.66
+N=C(N)c1cccc(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL52657,6.54
+N=C(N)c1ccc(C(=O)N[C@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1,CHEMBL52350,6.77
+N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL417020,8.4
+Cc1ccc(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54311,5.37
+COc1c(Br)cc(CCC(=O)O)cc1-c1[nH]c2ccc(C(=N)N)cc2c1Cc1ccccc1,CHEMBL50923,7.35
+N=C(N)c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL49987,7.7
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(CCC(=O)O)c3)c(Cc3ccccc3)c2c1,CHEMBL49973,6.0
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50933,7.7
+CC(C)(C(=O)O)c1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL51338,8.0
+N=C(N)c1ccc2[nH]c(-c3cc(CCCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50649,9.15
+COC(=O)Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL416127,8.52
+CN(C)C(=O)Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50090,8.7
+Cc1cc(C)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54093,5.92
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCCc2ccccc2)c1,CHEMBL297961,5.12
+N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL299009,9.3
+N=C(N)c1ccc2[nH]c(-c3cc(CC(N)=O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL52442,8.7
+N=C(N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53478,8.0
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCc2ccccc2)c1,CHEMBL53848,6.46
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50924,8.52
+Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54018,6.89
+N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53829,9.3
+NC(=O)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL433079,5.08
+COc1cccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)c1,CHEMBL330562,5.487
+O=CNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL96323,7.12
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Br)cc2)c1,CHEMBL92613,7.427
+Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL315645,6.3870000000000005
+NC(=O)Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL318015,5.75
+COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Cl,CHEMBL318890,8.0
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Br)cc2)c1,CHEMBL328611,7.132999999999999
+O=C(NCC1CCN(c2ccncc2)CC1)c1cc(OCCc2ccc(Cl)cc2Cl)c2c(c1)OCO2,CHEMBL419884,7.41
+COc1ccc(C(=O)NCC2CCN(c3ccncn3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL94721,6.96
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2)c1,CHEMBL96129,7.893
+COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OC,CHEMBL92928,7.3
+COc1ccc(C(=O)NCC2CCN(c3ccnc(C)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL318709,7.24
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2)c1,CHEMBL95148,7.4
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL92132,7.3
+CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL97664,5.327000000000001
+Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1,CHEMBL432214,6.693
+CC(C)Oc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL317533,6.63
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Br)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL97473,7.12
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(I)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL94696,6.81
+NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1,CHEMBL92144,7.29
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2cccc(Cl)c2)c1,CHEMBL94605,6.167000000000001
+CCOc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL96651,7.21
+CCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br,CHEMBL415497,7.07
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cn2)c1,CHEMBL327161,7.7
+COc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL317594,6.5
+N#Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL327253,5.807
+COc1c(Br)cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL91977,5.98
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(C(F)(F)F)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL96605,6.85
+COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C,CHEMBL329525,7.89
+COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL96434,7.74
+COc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL94439,6.22
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cn2)c1,CHEMBL432391,7.42
+COc1ccc(C(=O)NCC2CCN(c3ccnc(Cl)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL94530,6.58
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2cccc(Cl)c2)c1,CHEMBL97839,5.707000000000001
+COc1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1,CHEMBL92616,6.9
+COc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1,CHEMBL94651,6.507000000000001
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(F)cc2)c1,CHEMBL94904,6.992999999999999
+COc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL94781,6.19
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(F)cc2)c1,CHEMBL98240,6.693
+Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL431419,7.43
+COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cn1,CHEMBL96495,7.27
+Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL96372,7.54
+CC(=O)Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL318660,6.5
+CCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OCC,CHEMBL318935,6.58
+COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br,CHEMBL316628,7.7
+COc1ccc(C(=O)NCC2CCN(Cc3cc[nH]c(=O)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL421560,6.02
+N#Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1,CHEMBL316481,5.327000000000001
+O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL420078,6.97
+N#Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL97583,7.36
+Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL419325,6.907
+CNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL94658,7.32
+COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1,CHEMBL94436,7.39
+O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL330141,7.393
+NC(=O)c1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL421183,6.23
+CSc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL420622,7.55
+COc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL327922,6.01
+COc1cccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)c1,CHEMBL97784,5.6
+Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1,CHEMBL328654,5.807
+NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL289395,4.02
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1,CHEMBL138516,6.22
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)NO)c2)n1,CHEMBL342217,7.72
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)nc2)n1,CHEMBL341728,5.89
+N=C(N)c1ccc(C2=NOC(CC(=O)NC(CC(=O)O)C(=O)N3CCc4ccccc4C3)C2)cc1,CHEMBL139474,4.42
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1,CHEMBL342469,7.54
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1,CHEMBL140349,7.8
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(S(C)=N)c2)n1,CHEMBL139746,5.57
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccncc3c2)n1,CHEMBL139579,6.43
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(C2CCCNC2)n1,CHEMBL342621,4.68
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL301729,8.14
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3n[nH]c(N)c3c2)n1,CHEMBL342490,7.54
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(B(O)O)c2)n1,CHEMBL136399,7.21
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(CCCCN)n1,CHEMBL138996,4.92
+COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1,CHEMBL139788,7.96
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(N)c2)n1,CHEMBL337781,7.2
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(S(N)(=O)=O)c2)n1,CHEMBL139366,5.3
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2)n1,CHEMBL139121,6.7
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C#N)c2)n1,CHEMBL139738,6.51
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3c(N)[nH]nc3c2)n1,CHEMBL343946,5.55
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(N)=O)c2)n1,CHEMBL343602,7.72
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(Cl)c2)n1,CHEMBL138813,7.43
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)cc2)n1,CHEMBL138619,5.52
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3onc(N)c3c2)n1,CHEMBL138787,8.85
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL350499,8.47
+C[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL436235,8.74
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL352099,9.2
+COC[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL351688,9.26
+N=C(N)c1cccc(-c2noc(N)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL352197,8.47
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL159418,8.96
+N=C(N)c1cccc(-c2noc(CO)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL159757,9.3
+N=C(N)c1cccc(-c2noc(C(F)(F)F)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL351830,8.02
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(C(=N)N)c2)cc1,CHEMBL159816,10.0
+N=C(N)c1cccc(C2=NO[C@H](Cn3cnnn3)[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL347838,8.64
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cn1,CHEMBL160115,9.12
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL7967,8.02
+CN1CCN=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84065,8.62
+CNC(=O)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL79735,5.91
+CCOC(=O)CN1CCC(Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CC1,CHEMBL331690,9.51
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(O[C@H]3CN[C@H](C(=O)O)C3)c2F)c1,CHEMBL332189,9.48
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL332388,9.15
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N(C)C)c2)c1F,CHEMBL83675,6.8
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(C4=NCCN4)c3)n2)c1,CHEMBL315014,7.07
+CCOC(=O)CN(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL333266,9.59
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL331213,9.37
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL120438,9.19
+COc1ccc(C(=N)N)cc1Oc1nc(Oc2cccc(C(=O)N(C)C)c2)c(F)c(C)c1F,CHEMBL311608,6.1370000000000005
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(-n4ccnc4)c3)n2)c1,CHEMBL310373,7.59
+N=C(N)c1ccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)cc1,CHEMBL330802,6.89
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL332322,9.62
+CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL79303,8.46
+Cc1c(F)c(Oc2cccc(CN(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL312378,6.19
+Cn1ccnc1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309541,8.05
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL79986,7.85
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL419651,8.8
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(N)=O)c2)c1F,CHEMBL81579,6.55
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N21,CHEMBL120842,4.59
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL124042,4.75
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL262199,5.17
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1[N+](=O)[O-])B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606958,5.22
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)B(O)O,CHEMBL607008,8.05
+CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606954,6.01
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL606957,5.22
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1nnnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL607009,5.22
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2O)n1,CHEMBL356261,5.92
+NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F,CHEMBL151939,9.04
+CN(C)Cc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F,CHEMBL359449,6.1
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1,CHEMBL149260,8.38
+COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1CN,CHEMBL358604,6.57
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)cc1,CHEMBL355992,8.55
+NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL148944,8.74
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)c(CN)c1,CHEMBL151201,8.77
+CC(C)NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F,CHEMBL434659,7.42
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CNCc2ccccc2)c(F)c1,CHEMBL151522,7.21
+COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(CN)c1,CHEMBL345731,8.42
+CNCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F,CHEMBL147171,7.55
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(O)c2)n1,CHEMBL151122,6.79
+COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)cc1,CHEMBL146982,7.8
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1,CHEMBL149583,8.46
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(CN)c1,CHEMBL151627,8.62
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CN)cc1,CHEMBL348441,9.0
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)cc1,CHEMBL146793,8.44
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(CN)c1,CHEMBL148718,9.27
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CN)c(F)c1,CHEMBL146910,9.34
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CCN)c(F)c1,CHEMBL423759,6.96
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CCCN)c(F)c1,CHEMBL343472,6.22
+COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1,CHEMBL147132,8.28
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c(CN)c1,CHEMBL151750,9.06
+COc1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL357739,6.96
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(O)cc2)n1,CHEMBL358488,6.05
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7962,5.96
+CN(C)C(=O)COc1ccc2c3ccccc3n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1,CHEMBL174995,8.3
+CCOC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL433600,9.22
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)NC(CC(=O)O)C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL173480,7.7
+N=C(N)c1ccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)cc1,CHEMBL175333,8.22
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL176568,8.34
+N=C(N)c1ccc(CNc2ccc3ccn(Cc4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL173622,5.98
+N=C(N)c1ccc(CNc2ccc3ccn(-c4ccc(C(=N)N)cc4)c3c2)cc1,CHEMBL368762,6.08
+N=C(N)c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL367166,7.22
+N=C(N)c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(=N)N)c4)cc32)cc1,CHEMBL368839,6.8
+N=C(N)c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1,CHEMBL172413,7.52
+CC(=N)N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369251,8.8
+N=C(N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)c1,CHEMBL174735,9.05
+N=C(N)c1cccc(CNc2ccc3ccn(-c4cccc(C(=N)N)c4)c3c2)c1,CHEMBL172147,6.72
+CC(=N)N1CCC(Oc2ccc3cc(C(=O)N(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL368072,8.46
+N=C(N)c1ccc(-n2ccc3ccc(NCc4cccc(C(=N)N)c4)cc32)cc1,CHEMBL173419,6.47
+N=C(N)c1ccc2ccc(Cn3c4ccccc4c4ccc(OC5CCNCC5)cc43)cc2c1,CHEMBL174702,8.4
+COC(=O)c1cc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL263784,9.7
+CC(=N)N1CCC(Oc2ccc3nc(CCC(=O)O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369583,8.89
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C(C)C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL176744,8.7
+CCC(C)c1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL367476,8.48
+COC(=O)C(C)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL366405,7.1
+CCCCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL176640,8.55
+COC(=O)CCCN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL366855,7.52
+CC(=N)N1CCC(N(CC(N)=O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL369480,9.34
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(CCC(=O)O)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL369159,8.23
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(CCC(N)=O)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL172795,8.44
+CC(=N)N1CCC(N(CCCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL177212,6.38
+CCCCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL177225,9.64
+COC(=O)CCCN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL366556,6.52
+COC(=O)C(C)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL366535,8.96
+CC(=N)N1CCC(N(CCCC(=O)O)c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL171966,6.43
+CCCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL369161,8.35
+CC(=N)N1CCC(Oc2ccc3c(c2)ncn3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL172378,8.2
+COC(=O)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL355097,7.66
+CC(=N)N1CCC(Oc2ccc3nc(CCC(N)=O)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL367725,9.0
+CCC(C)c1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL369165,9.92
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL441670,8.21
+CC(=N)N1CCC(Oc2ccc3c(c2)nc(C(C)(C)C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL175286,8.7
+CCOC(=O)CCC(=O)N(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL355796,6.52
+CC(=N)N1CCC(Oc2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL173020,9.57
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL24907,8.4
+CC(=N)N1CCC(N(CC(C)C(=O)O)c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(=N)N)cc3c2)CC1,CHEMBL177136,7.1
+CCOC(=O)CCC(=O)N(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(C)=N)CC1,CHEMBL151985,6.43
+CC(=N)N1CCC(Oc2ccc3nc(C(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL177142,10.59
+COC(=O)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,CHEMBL172532,9.52
+CC(=N)N1CCC(N(CC(C)C(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL174829,8.52
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL367840,10.06
+CCCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL176813,9.64
+CC(=N)N1CCC(N(C(=O)CCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL172831,6.38
+CC(=N)N1CCC(Oc2ccc3ncn(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL176636,8.54
+CC(=N)N1CCC(Oc2ccc3nc(C(C)(C)C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,CHEMBL425132,10.34
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(OC4CCNCC4)cc3)cc2C1,CHEMBL148323,5.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(C)=N)CC2)cc1,CHEMBL344281,7.52
+CC1(C)CC(=O)C=C(N2CC[C@H](Oc3ccc(C(Oc4ccc5c(c4)CN(C(=N)N)CC5)C(=O)O)cc3)C2)C1,CHEMBL147789,6.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCOCC2)cc1,CHEMBL357832,5.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)CC)CC2)cc1,CHEMBL147631,7.52
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCNC2)cc1,CHEMBL144079,6.4
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(O[C@H]4CCN(C(=N)N)C4)cc3)cc2C1,CHEMBL147988,6.7
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(OC4CCOCC4)cc3)cc2C1,CHEMBL147707,5.52
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C3=CC(=O)CC(C)(C)C3)C2)cc1,CHEMBL356973,6.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(C)=O)CC2)cc1,CHEMBL358566,5.52
+CC(=O)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)CC1,CHEMBL148972,6.4
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C(C)=N)C2)cc1,CHEMBL146097,7.0
+C=CCOC(=O)N1CC[C@H](Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)C1,CHEMBL144637,6.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)N)CC2)cc1,CHEMBL146940,7.55
+C=CCN1CC[C@H](Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)C1,CHEMBL342568,6.0
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCNCC2)cc1,CHEMBL147436,5.7
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(OC2CCN(C(=N)c3ccc(OC)cc3)CC2)cc1,CHEMBL144707,7.68
+COc1ccc(C(=N)N2CCC(Oc3ccc(C(Oc4ccc5c(c4)CN(C(=N)N)CC5)C(=O)O)cc3)CC2)cc1,CHEMBL418849,7.59
+C=CCOC(=O)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)OCC)cc2)CC1,CHEMBL435028,5.52
+N=C(N)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)CC1,CHEMBL148357,7.36
+CCOC(=O)C(Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCN(C(=N)N)C2)cc1,CHEMBL344309,6.7
+CC(=N)N1CC[C@H](Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)C1,CHEMBL439982,7.1
+CC(=N)N1CCC(Oc2ccc(C(Oc3ccc4c(c3)CN(C(=N)N)CC4)C(=O)O)cc2)CC1,CHEMBL344305,7.26
+N=C(N)N1CCc2ccc(OC(C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1,CHEMBL148343,6.0
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(F)cc2)c1,CHEMBL50024,7.96
+COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL53011,7.8
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL54237,9.49
+Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL149393,8.15
+Cc1ccc(NC(=O)c2sc3ccccc3c2O)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL149718,5.36
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(O)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL357709,8.43
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL146207,8.64
+Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1,CHEMBL146641,8.14
+CCOC(=O)COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL147573,7.66
+O=C(Nc1ccc(Cl)cc1)c1ccc(F)cc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL149787,7.82
+Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL358135,7.24
+Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL358610,7.11
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(C#N)cc2)c1,CHEMBL148917,6.82
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL149421,9.22
+O=C(Nc1ccc(Cl)cc1)c1cccc(O)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL146149,7.74
+O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL146184,7.59
+Cc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL149875,6.89
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2cccc(Cl)c2)c1,CHEMBL342551,6.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL146079,8.66
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL358275,7.72
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Br)cc2)c1,CHEMBL147645,9.34
+COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL357971,7.66
+O=C(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL149657,7.0
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2cccnc2)c1,CHEMBL342733,6.68
+COc1ccsc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1,CHEMBL148791,6.8
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccccn2)c1,CHEMBL147982,7.52
+COc1c(Br)csc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1,CHEMBL148458,7.27
+Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cc2)cc1Cl,CHEMBL148687,7.96
+Cc1ccc(NC(=O)c2sc(C)nc2C)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL146592,6.68
+Cc1ccc(NC(=O)c2ccccc2Br)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL347983,6.02
+O=C(Nc1ccc(Cl)cc1)c1cccc(Cl)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL342806,7.62
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(CN)cc2)c1,CHEMBL148036,5.85
+Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL345940,7.8
+CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)CC1,CHEMBL422134,6.33
+Cc1ccc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1,CHEMBL422844,7.85
+Cc1ccc(NC(=O)c2sc3ccccc3c2C)c(C(=O)Nc2ccc(F)cc2)c1,CHEMBL147518,7.6
+Cc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(F)cc2)c1,CHEMBL146511,6.41
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(C(=O)O)cc2)c1,CHEMBL150216,5.33
+COc1c(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cc2)sc2ccccc12,CHEMBL149764,8.23
+O=C(Nc1cccc(F)c1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl,CHEMBL359219,7.59
+O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL149756,8.3
+Cc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)Nc2ccc(F)cc2)c1,CHEMBL345769,6.23
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(N)cc2)c1,CHEMBL149006,6.55
+O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL150063,8.15
+O=C(Nc1ccc(Cl)cc1)c1cc(O)ccc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL146365,7.14
+Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl,CHEMBL356112,8.74
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(F)cc1NC(=O)c1sc2ccccc2c1Cl,CHEMBL145839,8.15
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,CHEMBL76325,7.3
+C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1ccc2ccnc(N)c2c1,CHEMBL63041,8.96
+C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br)c1ccc2ccnc(N)c2c1,CHEMBL63088,8.89
+C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F)c1ccc2ccnc(N)c2c1,CHEMBL62288,8.8
+N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1=O)C(=O)c1nccs1,CHEMBL355376,8.36
+N=C(N)NCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1=O)C(=O)c1nccs1,CHEMBL162461,8.85
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)c1nccs1,CHEMBL352039,10.89
+Cc1c(S(=O)(=O)N2CCN(CC(=O)NC(CCCNC(=N)N)C(=O)c3nccs3)C(=O)C2)sc2ccc(Cl)cc12,CHEMBL423810,9.77
+N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1=O)C(=O)c1nccs1,CHEMBL163174,8.57
+N=C(N)NCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O)C(=O)c1nccs1,CHEMBL159695,8.64
+N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(Cl)cccc3c2)CC1=O)C(=O)c1nccs1,CHEMBL350587,8.89
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2n1,CHEMBL93431,6.32
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(N)nc4c3)C2=O)c1,CHEMBL92893,6.62
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1,CHEMBL93796,6.755
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1,CHEMBL92530,8.7
+Cc1c(S(=O)(=O)N[C@H]2CCN(Cc3cccc(C(=N)N)c3)C2=O)sc2ccc(Cl)cc12,CHEMBL418958,7.44
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4O)C3=O)cc2c1,CHEMBL93854,8.52
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cnccc4c3)C2=O)c1,CHEMBL92345,6.42
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(Cl)nc4c3)C2=O)c1,CHEMBL93190,6.14
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccnc(N)c4c3)C2=O)c1,CHEMBL93740,6.31
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccncc4c3)C2=O)c1,CHEMBL327636,6.29
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)c1,CHEMBL330582,6.92
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(N)cc4c3)C2=O)c1,CHEMBL93681,6.92
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cccnc4c3)C2=O)c1,CHEMBL93741,6.38
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(N)nccc4c3)C2=O)c1,CHEMBL421367,7.05
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL327600,7.33
+Nc1cc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)ccc1Cl,CHEMBL51413,6.89
+N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1,CHEMBL1201881,4.69
+CC(=N)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C(=N)N)cc4c3)S(=O)(=O)CC(=O)O)cc2)CC1,CHEMBL20240,8.807
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)cc1,CHEMBL50788,6.0
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Br)cc3)=NO2)cc1,CHEMBL297965,5.39
+COc1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL51415,5.12
+CCCCCC1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1,CHEMBL52064,5.35
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(I)cc3)=NO2)cc1,CHEMBL53405,5.72
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(Cl)c3)=NO2)cc1,CHEMBL52065,5.23
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)cc1,CHEMBL50994,5.11
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(F)c(F)c3)=NO2)cc1,CHEMBL51444,5.34
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCN(C3CCCCC3)CC2)c1F,CHEMBL56410,6.31
+N=C(N)c1cccc(COc2ccccc2)c1,CHEMBL294703,8.17
+N=C(N)c1ccccc1,CHEMBL20936,6.545
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCC(C)(c3ccccc3)CC2)c1F,CHEMBL417750,6.25
+CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1,CHEMBL39375,4.04
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1,CHEMBL1907779,4.06
+CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1,CHEMBL1907778,4.06
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1,CHEMBL290025,4.35
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1,CHEMBL415741,4.55
+COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL159162,6.47
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL346117,4.55
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1,CHEMBL158814,5.7
+N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158939,5.7
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL158405,5.68
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL156858,4.97
+CC(C)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(C(=N)N)cc2)cc(C(C)C)c1C(C)C,CHEMBL157131,4.0
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL345435,6.3
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL433510,6.39
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)/C=C/c2ccccc2)cc1,CHEMBL352009,4.82
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158936,5.52
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1S(=O)(=O)c1ccccc1,CHEMBL23042,5.24
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL282281,8.96
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL281573,7.22
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1cccc(N)c1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL280186,6.92
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL24987,6.92
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1,CHEMBL22886,7.77
+CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Cc1ccccc1,CHEMBL283553,7.0
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccc(N)c2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22566,6.92
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCN1CCOCC1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22557,6.7
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccn1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL278612,6.44
+CNC(=O)C(=O)[C@H](CCCCN)NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL22944,6.96
+CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N,CHEMBL279741,7.27
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)Nc1ccncn1,CHEMBL298374,7.01
+Cc1ncsc1CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O,CHEMBL296218,6.57
+Nc1cc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)ccn1,CHEMBL47654,6.85
+Cc1nc[nH]c1CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O,CHEMBL46041,6.47
+Cn1cncc1CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O,CHEMBL48236,7.92
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1cscn1,CHEMBL45995,6.8
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1c[nH]c(=S)[nH]1,CHEMBL299825,6.21
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1cccnc1,CHEMBL46314,6.6
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1ccncc1,CHEMBL295802,7.23
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1cnc[nH]1,CHEMBL49510,7.68
+Cn1cnc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)c1,CHEMBL49509,6.37
+Nc1nc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cs1,CHEMBL295515,6.21
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)NCCc1ccccn1,CHEMBL299614,6.85
+O=C(CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O)Nc1ccncc1,CHEMBL45585,6.77
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1,CHEMBL70400,7.06
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)c1,CHEMBL71418,8.05
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL308400,8.7
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1,CHEMBL44050,9.3
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccn3)s2)c1,CHEMBL72350,7.43
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccnc(C(N)=O)c3)cc2)c1,CHEMBL67692,9.12
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3)cc2)c1,CHEMBL71578,7.29
+N=C(N)c1cccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1,CHEMBL70833,6.0
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccccn3)s2)c1,CHEMBL68101,6.88
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)c1,CHEMBL70328,8.15
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1,CHEMBL68737,6.89
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cccnc3)cc2)c1,CHEMBL302064,7.42
+CC(C)(C)c1ccc(C(=O)NC/C=C/c2cc(C(=N)N)ccc2O)cc1,CHEMBL305425,7.21
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1,CHEMBL303211,6.6
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(C(N)=O)cc3)cc2)c1,CHEMBL68486,7.7
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL45000,8.285
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1,CHEMBL421676,7.72
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)c1,CHEMBL71058,7.92
+N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1,CHEMBL72820,7.24
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2cc3n[nH]c(=O)cc3s2)c1,CHEMBL73774,6.74
+CC(C)(C)c1ccc(C(=O)NCCCc2cc(C(=N)N)ccc2O)cc1,CHEMBL70741,7.23
+N=C(N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1,CHEMBL70660,6.74
+N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)c1,CHEMBL420369,8.3
+N=C(N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Br)c2)cc1,CHEMBL287473,5.11
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2sc(N)nc2C1,CHEMBL320542,4.04
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nn(C)cc2C1,CHEMBL316820,4.02
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nc(N)ncc2C1,CHEMBL321895,4.06
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nn(C)cc2C1,CHEMBL108458,4.04
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2[nH]ncc2C1,CHEMBL105980,4.0
+CC(C)COc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62492,4.47
+C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62807,4.47
+N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,CHEMBL64579,6.0
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1Cl,CHEMBL305349,4.37
+CC(C)COc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62836,4.51
+C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL61442,4.08
+C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL293892,4.19
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F,CHEMBL302913,4.49
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCNC4)c3O)nc2cc1F,CHEMBL61791,4.03
+CCOc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL293657,5.68
+N=C(N)c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1,CHEMBL303992,5.82
+CCOc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62753,4.39
+CC(C)COc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL60831,5.77
+C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL416674,4.47
+C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)CC1,CHEMBL62509,4.42
+N=C(N)c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,CHEMBL62370,5.68
+CCOc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64838,5.17
+CC(C)COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64676,5.62
+C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)C1,CHEMBL294067,4.42
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCO4)c3O)nc2cc1F,CHEMBL62588,4.89
+N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,CHEMBL59704,7.11
+COc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12,CHEMBL303970,4.89
+Cc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1O,CHEMBL412448,5.24
+N=C(N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,CHEMBL292977,4.92
+CC(C)Oc1c(O)c(C(=O)Nc2ccc(NC(=N)N)nc2)cc2cc3ccccc3cc12,CHEMBL63216,4.06
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,CHEMBL64654,4.26
+Cc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL64096,5.64
+Cc1cc(Br)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL61327,6.36
+N=C(N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1,CHEMBL303367,6.0
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL64097,6.34
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(F)c2)c1,CHEMBL293260,6.28
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cn1,CHEMBL59936,4.17
+N=C(N)c1ccc(NC(=O)c2ccccc2O)cc1,CHEMBL64708,4.92
+Cc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62491,5.03
+CCOc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL417409,4.43
+COc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62255,5.28
+N=C(N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1,CHEMBL62736,4.0
+N=C(N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1,CHEMBL264760,5.55
+N=C(N)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1,CHEMBL62490,4.82
+CC(=N)NCc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1,CHEMBL425142,8.74
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCCNCC2)cc1,CHEMBL368544,8.74
+CN(C)C(=N)c1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1,CHEMBL368984,9.0
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCC(C(=O)O)CC2)cc1,CHEMBL174330,10.92
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL369130,9.0
+N=C(N)NCc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL173878,9.52
+N=C(N)c1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1,CHEMBL174335,9.15
+CC(=N)NCc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL171854,10.0
+CN1CCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1,CHEMBL444809,9.05
+CN(C)c1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL366962,10.0
+CN1CCCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1,CHEMBL367451,9.1
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCC(O)CC2)cc1,CHEMBL174815,9.7
+Nc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL366862,9.7
+CN(C)C(=N)c1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL176136,10.0
+CCCOc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1-c1ccccn1,CHEMBL317917,5.3
+C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc2ccccc2c1,CHEMBL126012,5.21
+COc1ccc(Oc2ccc(C(C)NC(=O)CNC(=O)Nc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL332983,4.97
+CC(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL330943,5.34
+Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL109217,4.09
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL327136,4.04
+Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1,CHEMBL111160,4.1
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1,CHEMBL111468,4.16
+Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1,CHEMBL109546,4.12
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL288862,4.16
+N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL41220,4.18
+CC1CCCCN1C(=O)N(Cc1cccc(C(=N)NO)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL43817,5.27
+CC1CCN(C(=O)N(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL37318,5.28
+N=C(N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL38626,5.41
+COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(=N)N)c3)C(=O)N3CCCCCC3)ccc2c1,CHEMBL41947,5.52
+CC1CCCCN1C(=O)N(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL39760,4.28
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)cc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL126575,7.92
+Cc1c(F)c(Oc2cccc(CN)c2)cc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL127052,5.85
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2F)n1,CHEMBL41982,8.24
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCCCc2ccccc2)c2ccccc2)c1,CHEMBL163586,6.84
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccc(-c3ccccc3)cc2)c1,CHEMBL159833,6.1
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCCc2ccccc2)c2ccccc2)c1,CHEMBL162316,6.07
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2cccc3ccccc23)c1,CHEMBL162596,7.0
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCC2CCC(CN)CC2)C2CCCCC2)c1,CHEMBL349451,6.3
+N=C(N)c1cccc(C(=O)N[C@H](C(=O)NCC2CCC(CN)CC2)C2CCCCC2)c1,CHEMBL351732,5.11
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163112,6.92
+CSCC[C@@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL162924,5.64
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccc(Cl)cc2)c1,CHEMBL162051,5.6
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL351846,7.82
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2cccc(Cl)c2)c1,CHEMBL164249,6.52
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c1,CHEMBL162634,8.0
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1,CHEMBL164376,6.04
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL283765,7.83
+N=C(N)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCC(CN)CC2)c1,CHEMBL423420,4.47
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2)c1,CHEMBL163578,7.52
+Cc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL352144,7.38
+CSCC[C@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL162803,4.98
+N=C(N)c1cccc(C(=O)NC(C(=O)NCC2CCC(CN)CC2)c2ccccc2)c1,CHEMBL162635,6.54
+CC(C)[C@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL160076,4.42
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2)c1,CHEMBL435865,7.8
+CC(C)[C@@H](NC(=O)c1cccc(C(=N)N)c1)C(=O)NCC1CCC(CN)CC1,CHEMBL350793,5.18
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(CN)cc2)c2ccccc2)c1,CHEMBL348963,6.3
+COc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(C(=N)N)c2)c2ccccc2)cc1,CHEMBL162657,7.55
+N=C(N)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCC(CN)CC2)c1,CHEMBL349134,4.59
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL350632,6.55
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c1,CHEMBL159375,7.89
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)c1,CHEMBL7651,9.865
+CCOCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328577,8.17
+CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL264626,8.68
+CCCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL330284,7.89
+CCSCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316311,8.62
+CCCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327403,8.54
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92909,8.6
+COCCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL94052,8.3
+CCS(=O)(=O)CC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328805,8.28
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)C2)c1,CHEMBL323309,9.82
+N=C(N)c1cccc(C2=NOC(Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL91999,8.8
+CCOCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328582,8.47
+N=C(N)c1cccc(C2=NOC(Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL436684,8.77
+CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL321530,9.04
+CC(C)COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328451,7.43
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92609,8.39
+N=C(N)c1cccc(C2=NOC(CC(=O)O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL316318,7.7
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2)c1,CHEMBL323310,9.36
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93744,8.77
+CC(C)OCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327473,8.37
+Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)C1(Cn2cnnn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329460,9.0
+CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL406295,8.46
+N=C(N)c1cccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)(C(F)(F)F)C2)c1,CHEMBL445678,7.64
+CCSCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327201,8.66
+N=C(N)c1cccc(C2=NOC(Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL316070,8.07
+COCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327405,8.0
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93536,6.62
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL319206,7.55
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93227,7.18
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL433369,7.17
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL264628,6.62
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(CCCNC(=N)N)B(O)O,CHEMBL1202108,10.4
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C(=O)OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL329568,7.28
+COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL316349,6.7
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL408928,8.38
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)nc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL321314,7.72
+COC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92988,7.03
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL328239,8.06
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3C)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL92519,6.68
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL72514,8.38
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL91796,6.66
+COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3OC)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL327430,7.21
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2c1,CHEMBL332256,8.22
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4OCC(=O)O)C3=O)cc2c1,CHEMBL118989,5.89
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccncc4)cc3)C2=O)c1,CHEMBL330960,6.89
+Cn1ccnc1-c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3cccc(C(=N)N)c3)C2=O)cc1,CHEMBL326959,5.59
+N=C(N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL324793,6.89
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)cc3)C2=O)c1,CHEMBL119881,6.68
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1,CHEMBL119966,8.52
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccn4)cc3)C2=O)c1,CHEMBL121575,6.82
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cc[n+]([O-])cc4)cc3)C2=O)c1,CHEMBL434219,6.48
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1,CHEMBL120629,8.15
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1,CHEMBL119773,7.31
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL420546,8.7
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccncc4)s3)C2=O)c1,CHEMBL120413,7.26
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL120384,7.39
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL333678,7.66
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccn4)s3)C2=O)c1,CHEMBL118392,6.85
+COc1nccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)s2)n1,CHEMBL331666,6.82
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(N)cc(C(=N)N)c4)C3=O)cc2c1,CHEMBL433644,5.92
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(O)c(C(=N)N)c4)C3=O)cc2c1,CHEMBL118304,6.01
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2c1,CHEMBL431666,8.4
+C[n+]1ccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)cc1,CHEMBL326704,6.89
+COC(=O)COc1ccc(C(=N)N)cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O,CHEMBL332121,8.1
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1,CHEMBL333548,6.8
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,CHEMBL332650,8.22
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cc(C(=N)N)ccc4NC(C)=O)C3=O)cc2c1,CHEMBL331561,6.04
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(N)=NN)cs1)C(c1ccccc1)c1ccccc1,CHEMBL414606,4.23
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(CN)c1)C(c1ccccc1)c1ccccc1,CHEMBL8079,4.0
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1,CHEMBL269575,6.52
+CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL268640,6.92
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)s1)C(c1ccccc1)c1ccccc1,CHEMBL7895,6.44
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)s1)C(c1ccccc1)c1ccccc1,CHEMBL7440,6.71
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1,CHEMBL451242,5.3
+CS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL7860,6.7
+CCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL409260,6.55
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C(=N)N)cc4)C3=O)cc2c1,CHEMBL333891,6.01
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccsc3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL119456,7.72
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1,CHEMBL119249,6.42
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Cc4ccccc4)cc3)C2=O)c1,CHEMBL326316,5.96
+COc1ccc2ccc(S(=O)(=O)N(C)[C@@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL331774,6.36
+Cc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL332619,7.0
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4coc(C(=N)N)c4)C3=O)cc2c1,CHEMBL120749,6.74
+N=C(N)c1cccc(CN2CCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1,CHEMBL118836,5.89
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)c1,CHEMBL331648,6.12
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C(=N)N)s4)C3=O)cc2c1,CHEMBL435585,6.66
+COc1ccc2ccc(S(=O)(=O)N(CC(=O)O)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL324337,6.92
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C(=N)N)o4)C3=O)cc2c1,CHEMBL436563,6.24
+CNc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL331896,6.6
+COc1ccccc1-c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3cccc(C(=N)N)c3)C2=O)cc1,CHEMBL332160,6.72
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL340336,7.39
+N=C(N)c1cccc(CN2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1,CHEMBL120765,5.0
+Cc1cccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)c1,CHEMBL120341,6.92
+N=C(N)c1cccc(CN2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)c1,CHEMBL120387,5.01
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(O)cc4c3)C2=O)c1,CHEMBL118334,6.3
+N=C(N)c1cccc(Cn2cc(CCc3ccc4ccccc4c3)c3ccccc32)c1,CHEMBL118906,6.05
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccn[nH]3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL119964,7.68
+COc1ccc2ccc(S(=O)(=O)N(Cc3ccccn3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118156,7.51
+CCc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118799,6.43
+N=C(N)c1cccc(CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1,CHEMBL121032,5.15
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1,CHEMBL331686,7.15
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2=O)c1,CHEMBL333958,6.36
+COc1ccc2ccc(S(=O)(=O)N(CCC(N)=O)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL325529,7.25
+COc1ccc2ccc(S(=O)(=O)N(Cc3cccs3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL116378,7.47
+COc1ccc2cc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)ccc2c1,CHEMBL419227,6.0
+COc1ccc2ccc(S(=O)(=O)N(CC(N)=O)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL419049,7.6
+N=C(N)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL117156,6.47
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(Cl)cc4c3)C2=O)c1,CHEMBL331955,7.11
+COc1cccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)c1,CHEMBL119913,7.0
+CCN([C@H]1CCN(Cc2cccc(C(=N)N)c2)C1=O)S(=O)(=O)c1ccc2ccc(OC)cc2c1,CHEMBL324569,7.37
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccnc(C(=N)N)c4)C3=O)cc2c1,CHEMBL333639,6.96
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118361,7.96
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)cs4)C3=O)cc2c1,CHEMBL331939,7.08
+COc1ccc2ccc(S(=O)(=O)N[C@@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL118494,10.33
+COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1,CHEMBL331943,8.15
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2C(F)(F)F)CC1,CHEMBL26500,9.06
+CCOC(=O)CCC(=O)N(C/C=C/c1cccc(C(=N)N)c1)c1ccc(OC2CCN(C(C)=N)CC2)c(C(F)(F)F)c1,CHEMBL26287,9.26
+CC(=N)N1CCC(Oc2ccc(NC/C(C)=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL27228,10.15
+CC(=N)N1CCC(Oc2ccc(NCc3ccc4ccc(C(=N)N)cc4c3)cc2[N+](=O)[O-])CC1,CHEMBL25034,10.1
+CC(=N)N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1,CHEMBL25461,9.77
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2)CC1,CHEMBL25673,8.12
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)c3ccc(C(=O)O)c(C(=O)O)c3)cc2C(F)(F)F)CC1,CHEMBL24263,9.25
+CN1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL24956,9.24
+CCOC(=O)c1cc(NC/C=C/c2cccc(C(=N)N)c2)ccc1OC1CCN(C(C)=N)CC1,CHEMBL24674,8.17
+N=C(N)c1ccc(O)c(/C=C/CN(C(=O)CCC(=O)O)c2ccc(OC3CCN(CC(=O)O)CC3)c(C(F)(F)F)c2)c1,CHEMBL26709,9.47
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cc(C(=N)N)ccc3O)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL26240,10.0
+CCOC(=O)CCC(=O)N(C/C=C/c1cc(C(=N)N)ccc1O)c1ccc(OC2CCN(C(C)=N)CC2)c(C(F)(F)F)c1,CHEMBL26299,10.15
+CC(=O)N1CCC(Oc2ccc(N(C/C=C/c3cc(C(=N)N)ccc3O)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL25170,8.52
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL423656,10.0
+CS(=O)(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL24287,7.36
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL424589,9.55
+N=C(N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(N)=O)CC3)c(C(F)(F)F)c2)c1,CHEMBL24433,8.14
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL24630,9.57
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2F)CC1,CHEMBL24508,8.39
+CC(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL26400,7.73
+CN1CCC(Oc2ccc(N(C/C=C/c3cc(C(=N)N)ccc3O)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL277424,9.55
+CC(=N)N1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1,CHEMBL25351,9.52
+N=C(N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL358910,7.3
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL357795,6.49
+COC(=O)C1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL151144,8.32
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358918,8.34
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150612,6.4
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL345492,8.6
+N=C(N)c1ccc(/C=C2\CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL151480,5.73
+N=C(N)c1ccc(/C=C2/CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151049,6.38
+N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149960,6.64
+N=C(N)c1ccc(/C=C2/CCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150277,7.74
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151562,7.92
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N(C)C)cc3)C2=O)cc1,CHEMBL357083,5.8
+N=C(N)c1ccc(/C=C2\CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL359275,6.41
+N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150962,5.34
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL355969,6.96
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356630,6.3
+N=C(N)c1ccc(/C=C2\CC(C(=O)O)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL345710,4.61
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151481,7.28
+CNC(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153660,4.54
+N=C(N)c1ccc(/C=C2/CC(C(=O)O)C/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151164,8.16
+N=C(N)c1ccc(/C=C2\CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150309,5.74
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358180,8.28
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356466,7.74
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356862,6.29
+N=C(N)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150308,5.25
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL151661,6.65
+N=C(N)c1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149410,5.48
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL422321,6.89
+CN(C)C(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153659,6.46
+N=C(N)c1ccc(/C=C2\CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150434,6.02
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150739,8.55
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC(C)C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL44831,9.4
+CC[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)cc1)[C@@H](Cc1cccc(C(=N)N)c1)C(=O)OC,CHEMBL48610,9.15
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL46414,7.16
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@H](NC(=O)c1ccc(-c2cccc(CN)c2)cc1)C(C)C,CHEMBL44177,8.1
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1,CHEMBL47704,9.0
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL45106,8.4
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL43264,7.96
+COC(=O)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)Cc1cccc(C(=N)N)c1,CHEMBL297371,7.7
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL417714,8.03
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1,CHEMBL45267,8.7
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL48046,9.05
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc[n+](C)c2)cc1,CHEMBL295454,9.1
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ncc[nH]2)cc1,CHEMBL45298,7.34
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccnc2)cc1,CHEMBL415907,8.1
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,CHEMBL46618,9.35
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1,CHEMBL295010,9.05
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2C)cc1,CHEMBL44586,8.92
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1,CHEMBL45307,8.22
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccncc2)cc1,CHEMBL296046,9.3
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc[n+]([O-])c2)cc1,CHEMBL46969,8.7
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+](C)cc2)cc1,CHEMBL47207,8.57
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1,CHEMBL46708,9.24
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2c[nH]cn2)cc1,CHEMBL44113,8.52
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N(C)C)c2O)c1F,CHEMBL419116,5.35
+Cc1nccn1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309879,8.1
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1F,CHEMBL312134,5.62
+CCN(CC)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL314591,6.4
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(Cl)c(N(C)C)c2)c1F,CHEMBL84502,6.3
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N3CCCCC3)c2)c1F,CHEMBL350455,6.19
+Cc1c(F)c(Oc2cccc(OC(F)(F)F)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL84410,5.74
+Cc1cn(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)cn1,CHEMBL79828,7.89
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N3CCCC3)c2)c1F,CHEMBL81893,6.66
+Cc1c(F)c(Oc2cccc(N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83648,5.48
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(O)c(C(=O)N(C)C)c2)c1F,CHEMBL83903,5.7
+Cc1c(F)c(Oc2cccc(CCC(=O)N(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL84379,5.89
+Cc1c(F)c(Oc2cccc(CC(=O)C(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL152611,5.68
+COc1cc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cc(C(=O)N(C)C)c1,CHEMBL314047,6.85
+Cc1c(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cccc1N(C)C,CHEMBL84419,6.49
+Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)n1,CHEMBL79529,8.08
+CCOC(=O)Cc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL80119,6.09
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL82925,8.52
+CCOC(=O)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL83431,5.28
+CCN(CC)C(=O)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL79501,6.16
+COc1ccc(C(=N)N)cc1Oc1nc(Oc2cccc(N(C)C)c2)c(F)c(C)c1F,CHEMBL315796,5.85
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N3CCOCC3)c2)c1F,CHEMBL79996,5.85
+COc1c(O)cc(C(=N)N)cc1Oc1nc(Oc2cccc(C(=O)N(C)C)c2)c(F)c(C)c1F,CHEMBL83175,6.8
+CC(=O)Cc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL157316,5.85
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL84275,7.19
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL82006,8.22
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(C(=O)N(C)C)cc(C(=O)N(C)C)c2)c1F,CHEMBL79258,6.8
+COc1cc(C(=N)N)cc(Oc2nc(Oc3cccc(C(=O)N(C)C)c3)c(F)c(C)c2F)c1OC,CHEMBL309717,6.74
+COc1cc(Oc2nc(Oc3cccc(C(=O)N(C)C)c3)c(F)c(C)c2F)cc(C(=N)N)c1,CHEMBL79950,5.57
+Cc1c(F)c(Oc2cccc(CC(=O)N(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL82175,6.34
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(F)(F)F)c2)c1F,CHEMBL83003,5.8
+Cc1c(F)c(Oc2cccc(CC(N)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL81932,6.55
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc([N+](=O)[O-])c2)c1F,CHEMBL82040,5.6
+Cc1c(F)c(Oc2cccc(Cl)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL84030,5.77
+Cc1c(F)c(Oc2cccc(O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83370,5.3
+Cc1c(F)c(Oc2cccc(F)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83873,5.49
+Cc1c(F)c(Oc2cccc(CO)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83367,5.89
+CCNc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL83054,6.28
+Cc1c(F)c(Oc2cccc(NS(C)(=O)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL441450,5.42
+CC(=O)Nc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL82149,5.24
+COc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL310575,5.87
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)cc(O)c2O)c1F,CHEMBL82456,7.64
+COc1ccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cc1C(=O)N(C)C,CHEMBL83106,5.85
+COc1c(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cccc1C(=O)N(C)C,CHEMBL83978,5.62
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N3CCCCC3)c2)c1F,CHEMBL83798,6.09
+Cc1c(F)c(Oc2cccc(OC(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL419661,6.21
+Cc1ccc(C(=N)N)cc1Oc1nc(Oc2cccc(N(C)C)c2)c(F)c(C)c1F,CHEMBL80017,5.92
+CN1CC(C)(C)N=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL157374,6.09
+C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541152,6.82
+C[n+]1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c2ccccc21,CHEMBL552789,7.3
+CN(CCNC(=O)c1cc2c(O)cccc2n1Cc1cccc(C(=N)N)c1)c1cccc2ccccc12,CHEMBL329360,5.61
+N=C(N)c1cccc(Cn2c(C(=O)NCCNc3cccc4ccccc34)cc3c(O)cccc32)c1,CHEMBL314969,6.5
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(F)cc(F)c3)cc3c(O)cccc32)c1,CHEMBL327562,6.72
+COc1cccc2c1cc(C(=O)NCc1ccc(C(=N)N)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL92244,6.88
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(S(C)(=O)=O)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL553012,6.65
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL540900,7.22
+Cc1cccc2c1cc(C(=O)NCc1cccc3ccccc13)n2Cc1cccc(C(=N)N)c1,CHEMBL93758,7.02
+N=C(N)c1cccc(Cn2c(C(=O)NCCc3ccc(Br)cc3)cc3c(O)cccc32)c1,CHEMBL92929,5.79
+Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL93087,8.05
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)cc3ccccc32)c1,CHEMBL96308,5.44
+COC(=O)c1cc2cc(F)ccc2n1Cc1cccc(C(=N)N)c1,CHEMBL330102,4.89
+Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL307196,7.96
+COC(=O)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL319753,5.69
+Cc1c(F)ccc2c1cc(C(=O)NCc1ccc([N+](C)(C)Cc3ccccc3)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL553013,6.61
+COc1ccc2cc(C(=O)NCc3ccc([N+](C)(C)C)cc3)n(Cc3cccc(C(=N)N)c3)c2c1,CHEMBL541404,5.75
+COC(=O)c1c(C)c2ccccc2n1Cc1cccc(C(=N)N)c1,CHEMBL413499,5.06
+N=C(N)c1cccc(COC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL92836,7.55
+C[n+]1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL558239,6.44
+C[n+]1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541656,5.89
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccccn3)cc3c(O)cccc32)c1,CHEMBL92796,5.48
+Cc1cccc2c1cc(C(=O)OCc1cccc(C(=N)N)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL319950,7.36
+N=C(N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL96650,7.59
+Cc1cccc2c1cc(C(=O)NCc1cccc(-c3ccccc3)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL329392,6.49
+CN1CCC([C@@H](NC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)c2ccc3cc(Cl)ccc3c2)CC1,CHEMBL2448599,6.21
+Cc1cccc2c1cc(C(=O)NCc1ccc(N(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL92869,5.88
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL306300,7.55
+Cc1cccc2c1cc(C(=O)NCc1cc(Cl)cc(Cl)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL92776,7.6
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Br)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL554407,6.87
+Cc1cccc2c1cc(C(=O)NCc1ccc(O)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL91705,5.79
+N=C(N)c1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL93050,7.21
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(C(=O)O)c3)cc3c(O)cccc32)c1,CHEMBL93316,5.0
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)c(Br)c3ccccc32)c1,CHEMBL96639,7.07
+COc1cccc2c1cc(C(=O)NCCc1ccc(O)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL96543,6.01
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(Br)c3)cc3c(O)cccc32)c1,CHEMBL92983,6.93
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(C(F)(F)F)c3)cc3c(O)cccc32)c1,CHEMBL92942,6.32
+C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(C(=N)N)cc2)cc1,CHEMBL558150,6.22
+Cc1cccc2c1cc(C(=O)NCc1cc[n+]([O-])cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL93134,4.84
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3Cl)cc3c(O)cccc32)c1,CHEMBL96231,7.0
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(F)c3)cc3c(O)cccc32)c1,CHEMBL91756,6.14
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL550095,7.115
+N=C(N)c1cccc(Cn2c(C(=O)NCCc3ccc(Cl)cc3)cc3c(O)cccc32)c1,CHEMBL96586,5.81
+N=C(N)c1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL327408,6.68
+N=C(N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL328307,7.185
+CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541153,6.99
+Cc1cc(C)cc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL92662,7.89
+CSC(=O)c1cc2c(O)cccc2n1Cc1cccc(C(=N)N)c1,CHEMBL91759,5.52
+COc1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL96659,5.87
+C[N+](C)(C)c1ccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)cc1,CHEMBL330725,5.74
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(OCc4ccccc4)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541150,7.08
+Cc1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(C(=N)N)c2)c2ccccc12,CHEMBL541658,6.77
+COc1cccc2c1cc(C(=O)NCc1ccc(-c3cc[n+](C)cc3)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541148,6.96
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccccc3Cl)cc3c(O)cccc32)c1,CHEMBL93013,5.92
+N=C(N)c1cccc(Cn2c(C(=O)O)cc3cc(O)ccc32)c1,CHEMBL329418,5.0
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(NC(N)=O)c3)cc3c(O)cccc32)c1,CHEMBL96584,6.74
+Cc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc(C(F)(F)F)c1,CHEMBL328690,7.89
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL552783,8.15
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc4ccccc4c3)cc3c(O)cccc32)c1,CHEMBL93193,5.76
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccccc3)cc3c(O)cccc32)c1,CHEMBL91848,5.69
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc4ccc5cccc6ccc3c4c56)cc3c(O)cccc32)c1,CHEMBL91915,5.69
+COc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL314549,6.51
+C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL540899,7.0
+CC(NC(=O)c1cc2ccccc2n1Cc1cccc(C(=N)N)c1)c1cc[n+](C)cc1,CHEMBL541402,7.04
+N=C(N)c1cccc(Cn2c(C(=O)Nc3cc(Cl)cc(Cl)c3)cc3c(O)cccc32)c1,CHEMBL308510,6.1
+COc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc(OC)c1,CHEMBL316902,6.71
+Cc1cccc2c1cc(C(=O)NCc1nccc3ccccc13)n2Cc1cccc(C(=N)N)c1,CHEMBL327986,7.82
+COC(=O)c1c(C(=O)OC)n(Cc2cccc(C(=N)N)c2)c2ccccc12,CHEMBL96271,5.12
+Cc1cccc2c1c(Br)c(C(=O)NCc1cccc(C(=N)N)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL91757,7.3
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)c(Cl)c3ccccc32)c1,CHEMBL93686,6.52
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(Cl)c3)cc3c(O)cccc32)c1,CHEMBL307846,6.58
+COc1ccc2c(cc(C(=O)NCc3ccncc3)n2Cc2cccc(C(=N)N)c2)c1OC,CHEMBL94490,5.27
+N=C(N)c1cccc(Cn2c(C(N)=O)cc3c(O)cccc32)c1,CHEMBL92237,5.15
+N=C(N)c1cccc(Cn2c(C(=O)NCc3nccc4ccccc34)cc3c(O)cccc32)c1,CHEMBL329359,7.7
+N=C(N)c1cccc(Cn2c(C(=O)NC(c3ccccc3)c3ccncc3)cc3ccccc32)c1,CHEMBL91966,5.15
+N=C(N)c1ccc(C(=O)N2CCc3c(n(Cc4cccc(C(=N)N)c4)c4ccccc34)C2)cc1,CHEMBL92598,6.05
+N=C(N)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL317330,6.88
+C=CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL554256,6.85
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL540898,7.09
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(Br)cccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541405,7.62
+Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL76987,6.88
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL609424,6.84
+CCN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(C(=N)N)c1,CHEMBL558240,6.3
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)cc3c(O)cccc32)c1,CHEMBL328562,7.17
+Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541149,7.825
+N=C(N)c1cccc(Cn2c(C(=O)NNS(=O)(=O)c3ccccc3)cc3c(O)cccc32)c1,CHEMBL91917,5.15
+CCOC(=O)c1cc2c(C)cccc2n1Cc1cccc(C(=N)N)c1,CHEMBL96720,6.02
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(I)c3)cc3c(O)cccc32)c1,CHEMBL94869,7.38
+COc1cccc2c1cc(C(=O)NCCc1cc[n+](C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL558238,6.8
+N=C(N)c1cccc(Cn2c(C(=O)NCCc3ccc(Cl)c(Cl)c3)cc3c(O)cccc32)c1,CHEMBL316066,6.04
+N=C(N)c1cccc(Cn2c(C(=O)NCCc3ccc(Cl)cc3Cl)cc3c(O)cccc32)c1,CHEMBL316316,6.08
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccnc4ccccc34)cc3c(O)cccc32)c1,CHEMBL328324,6.52
+Cc1cccc2c1cc(C(=O)NCc1ccnc3ccccc13)n2Cc1cccc(C(=N)N)c1,CHEMBL94773,6.76
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)cc3c(O)cccc32)c1,CHEMBL329182,7.41
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3c(O)cccc32)c1,CHEMBL91797,7.0
+C[n+]1cccc(CC(NC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)C(N)=O)c1,CHEMBL541403,5.41
+Cc1cccc2c1cc(C(=O)NCc1cccc([N+](=O)[O-])c1)n2Cc1cccc(C(=N)N)c1,CHEMBL96941,5.0
+COC(=O)c1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(C(=N)N)c2)c2ccccc12,CHEMBL555494,6.46
+COc1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1OC,CHEMBL92090,4.76
+CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL450874,5.45
+N=C(N)c1cccc(Cn2c(C(=O)NCC(=O)Nc3ccc4ccccc4c3)cc3c(O)cccc32)c1,CHEMBL93995,5.62
+Cc1cccc2c1cc(C(=O)NCc1cccc(C(=N)N)c1)n2Cc1cccc(C(=N)N)c1,CHEMBL330106,8.15
+C#CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL554257,7.12
+C[C@@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(=N)N)c1)c1ccccc1,CHEMBL317484,5.43
+Cc1cccc2c1cc(C(N)=O)n2Cc1cccc(C(=N)N)c1,CHEMBL91700,5.1
+N=C(N)c1cccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL93255,7.655
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cc3c(O)cccc32)c1,CHEMBL96243,6.08
+N=C(N)c1ccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)cc1,CHEMBL95070,5.95
+CC(C)(C)OC(=O)Nc1ccc2c(c1)cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL554176,7.85
+N=C(N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL317811,8.05
+COc1ccc2c(c1)cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541657,7.03
+C[N+](C)(C)c1ccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL549688,7.4
+COC(=O)CN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(C(=N)N)c1,CHEMBL554177,6.77
+C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(N)=S)c1)c1ccccc1,CHEMBL317567,5.32
+N=C(N)c1cccc(Cn2c(C(=O)NCc3ccccc3)cc3ccccc32)c1,CHEMBL327916,5.16
+CCOC(=O)c1cc2ccccc2n1Cc1cccc(C(=N)N)c1,CHEMBL328937,5.38
+C[N+]1(C)CCC(C(NC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)c2ccc3cc(Cl)ccc3c2)CC1,CHEMBL319878,5.88
+CN(C)c1ccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)cc1,CHEMBL92843,5.66
+N=C(N)c1cccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)c1,CHEMBL330075,5.91
+Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)Cc3ccccc3)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541659,7.64
+N=C(N)c1cccc(Cn2c(C(=O)NCCc3cccc(Cl)c3)cc3c(O)cccc32)c1,CHEMBL310717,6.15
+COc1cccc2c1cc(C(=O)NC(c1ccccc1)c1ccncc1)n2Cc1cccc(C(=N)N)c1,CHEMBL328867,5.17
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(C(N)=O)c3)cc3ccccc32)c1,CHEMBL328391,6.62
+N=C(N)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL329021,6.59
+N=C(N)c1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL91870,7.05
+N=C(N)c1cccc(Cn2c(C(=O)NCC3CCCCC3)cc3c(O)cccc32)c1,CHEMBL328355,5.95
+N=C(N)c1cccc(Cn2c(C(N)=O)cc3ccccc32)c1,CHEMBL96920,5.25
+CCOC(=O)c1cc2ccccc2n1Cc1ccc(C(=N)N)cc1,CHEMBL420070,4.26
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL541151,6.85
+Cc1cccc2c1cc(C(=O)NCC1CCN(C(=N)N)CC1)n2Cc1cccc(C(=N)N)c1,CHEMBL329681,7.6
+N=C(N)c1cccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL329805,7.11
+COc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)C)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL541406,7.21
+N=C(N)c1cccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(=N)N)c2)c1,CHEMBL419704,8.05
+C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1,CHEMBL558432,6.4
+Cc1cccc2c1cc(C(=O)NCC1CCC(C(=N)N)CC1)n2Cc1cccc(C(=N)N)c1,CHEMBL94376,7.35
+COc1cccc2c1cc(C(=O)NCc1ccc(O)cc1)n2Cc1cccc(C(=N)N)c1,CHEMBL96235,6.74
+N=C(N)c1cccc(Cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc3c(O)cccc32)c1,CHEMBL329029,6.56
+CCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(C(=N)N)c1,CHEMBL20825,5.7
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCC2CCC(CN)CC2)c2ccccc2)c1,CHEMBL417827,6.67
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)OCCC2CCN(C(=N)N)CC2)c2ccccc2)c1,CHEMBL20733,7.59
+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)c1,CHEMBL20672,7.8
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(S(=O)N(C)C)c2)c1F,CHEMBL82739,6.14
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(NCCN)c3)n2)c1,CHEMBL432939,7.11
+Cc1c(F)c(Oc2cccc(CCC(N)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL440311,6.15
+CC(=O)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL82127,5.85
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)C(C)C)c2)c1F,CHEMBL81007,5.68
+CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL312592,6.58
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(O)C(N)=O)c2)c1F,CHEMBL314645,6.43
+Cc1c(F)c(Oc2cccc(Nc3ccccc3)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL82831,5.74
+Cc1c(F)c(Oc2cccc(NC(N)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL84482,5.4
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N3CCOCC3)c2)c1F,CHEMBL79447,6.19
+Cc1c(F)c(Oc2cccc(CN)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83743,5.85
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(N(C)C)ccc2C(=O)O)c1F,CHEMBL82058,5.62
+CN(C)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84437,7.92
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)O)c2)c1F,CHEMBL312275,5.3
+CC1(C)CN=C(c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)N1,CHEMBL82339,6.09
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(-n3ccnc3)c2)c1F,CHEMBL309617,6.9
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(O)C(=O)N(C)C)c2)c1F,CHEMBL83324,5.66
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2NS(C)(=O)=O)c1F,CHEMBL82873,5.26
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1,CHEMBL350955,6.5
+N=C(N)NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)O,CHEMBL1161500,7.4
+N=C(N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)s1,CHEMBL162452,7.28
+COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O,CHEMBL1161499,7.03
+N=C(N)N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1,CHEMBL163312,7.31
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1,CHEMBL441463,6.43
+O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL103342,8.0
+O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL323583,8.3
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,CHEMBL103874,7.96
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,CHEMBL1166,4.28
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C(C)=C/c1cccc(N)c1,CHEMBL25478,8.89
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1ccc(N)cc1,CHEMBL423480,7.19
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1ccc(N)cc1,CHEMBL280342,7.13
+CCc1nc2c(NC(C)=O)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL280769,7.3
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1cccc(-c2ccc(C(=N)N)cc2)c1,CHEMBL25698,6.59
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C(C)=C/c1cccc(N)c1,CHEMBL24565,9.51
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL25474,7.24
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25184,6.74
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1OC,CHEMBL24915,7.89
+CC(=N)N1CCC(Oc2ccc3c(nc(C(C)C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1,CHEMBL283293,9.7
+CCc1nc2c(N(C)C)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL24012,8.3
+CCc1nc2c(N)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL277204,8.1
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2ccc(C(=N)N)cc2)cc1,CHEMBL25063,6.17
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25477,10.0
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL283901,7.77
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1cccc(N)c1,CHEMBL24460,10.55
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cc(N)ccc1O,CHEMBL25068,10.0
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cccc(N)c1,CHEMBL25484,9.4
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL282260,7.47
+CCc1nc2c([N+](=O)[O-])c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL25073,10.0
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1cccc(-c2ccc(C(=N)N)cc2)c1,CHEMBL279721,6.82
+CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1cccc(-c2cccc(C(=N)N)c2)c1,CHEMBL25527,9.34
+CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1,CHEMBL24780,8.66
+CCc1nc2c(N(CC(=O)O)CC(=O)O)c(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1,CHEMBL281591,7.3
+CC(=N)N1CCC(Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)CC1,CHEMBL1160895,7.89
+Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5s4)CC3=O)ccc12,CHEMBL174138,5.92
+Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12,CHEMBL172928,7.62
+Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Br)cc5[nH]4)CC3=O)ccc12,CHEMBL173333,7.77
+Nc1ncnc2cc(CN3CCN(Cc4cc5ccc(Cl)cc5[nH]4)CC3=O)ccc12,CHEMBL367072,6.41
+Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)ccc12,CHEMBL173650,9.05
+Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12,CHEMBL173210,5.92
+Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12,CHEMBL366731,8.52
+Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc21,CHEMBL174409,6.54
+Cc1ccc2nc(CN3CCN(Cc4ccc5c(N)ncnc5c4)C(=O)C3)[nH]c2c1,CHEMBL354154,6.92
+N=C(N)c1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)cc1,CHEMBL367731,7.4
+Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12,CHEMBL170093,5.92
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1,CHEMBL102502,7.62
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1,CHEMBL102345,7.1
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)c1,CHEMBL104995,7.92
+N=C(N)c1cccc(N2CCCCN(C3CCN(CCc4ccccc4)CC3)C2=O)c1,CHEMBL556200,6.66
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160810,7.92
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)C2=O)c1,CHEMBL1160812,7.15
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccnc4)CC3)C2=O)c1,CHEMBL1160794,6.17
+N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccncc4)CC3)C2=O)c1,CHEMBL1160793,6.7
+N=C(N)c1cccc(N2CCCCN(C3CCN(C(=O)Cc4ccccc4)CC3)C2=O)c1,CHEMBL102578,6.05
+N=C(N)c1cccc(N2CCCCN(C3CCN(C(=O)c4ccccc4)CC3)C2=O)c1,CHEMBL101586,5.11
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccccc4N)CC3)C2=O)c1,CHEMBL1160791,7.47
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccn4)CC3)C2=O)c1,CHEMBL1160792,8.0
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)c1,CHEMBL103993,8.0
+N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4cccc(N)c4)CC3)C2=O)c1,CHEMBL1160518,6.7
+N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12,CHEMBL284436,6.41
+N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL265315,6.78
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL320213,7.21
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL102779,7.52
+N=C(N)NCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL102385,7.34
+NCCCCC(NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL431056,5.86
+N=CNCCCC(NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL105393,7.66
+CC(C)(CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL317639,7.1
+N=CNCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL104331,6.52
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL103078,6.41
+CC(C)(CN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL105137,7.0
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL102916,7.27
+Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC(=N)N)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL103077,7.82
+CC(C)(CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc1ccccc1)c1ccccc1,CHEMBL105212,6.49
+Cc1cc(C)cc(C(C)(C)CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc2ccccc2)c1,CHEMBL319050,6.09
+NCCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL320019,6.36
+N=CNCCCC(NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O,CHEMBL102930,6.2
+NCCCCC(NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O,CHEMBL419734,6.89
+CC(=N)N1CC[C@H](Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1,CHEMBL314535,7.52
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1,CHEMBL19666,7.02
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3F)c2=O)c1,CHEMBL279199,6.6
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3OC)c2=O)c1,CHEMBL416912,7.11
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3)c2=O)c1,CHEMBL19453,6.82
+N=C(N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(=O)O,CHEMBL19599,6.72
+Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(=N)N)C(=O)O,CHEMBL431292,6.17
+COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3nc(C(=N)N)cs3)c2=O)c1,CHEMBL19798,6.75
+COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(=N)N)C(=O)O)c1=O,CHEMBL19831,5.74
+Nc1cc(C2=NOC(CNS(N)(=O)=O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL7854,8.26
+Nc1cc(C2=NOC(CNC=O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL8090,7.82
+CC(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1,CHEMBL267681,7.96
+CS(=O)(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc3onc(N)c3c2)=NO1,CHEMBL8018,8.34
+Nc1cc(C2=NOC(CNS(=O)(=O)c3cccnc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL7928,8.52
+COc1ccc(C2=NOC(CNS(C)(=O)=O)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)cc1,CHEMBL268129,8.0
+Nc1cc(C2=NOC(Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL7676,7.47
+Nc1cc(C2=NOC(CNS(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL269393,8.48
+Nc1cc(C2=NOC(CNS(=O)(=O)Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL268329,8.66
+CCCS(=O)(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1,CHEMBL8135,8.43
+Nc1cc(C2=NOC(CNS(=O)(=O)c3ccsc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL275957,8.92
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2ccc(Cl)c(N)c2)=NO1,CHEMBL7905,6.89
+CCNC(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1,CHEMBL8356,7.16
+Nc1cc(C2=NOC(CNS(=O)(=O)c3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl,CHEMBL269065,8.77
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL415479,5.06
+Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12,CHEMBL442766,9.01
+N=C(N)c1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL332157,10.43
+NCc1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL122796,7.89
+COc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1,CHEMBL340577,8.1
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)ccc1Cl,CHEMBL331951,8.92
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2F)ccc1Cl,CHEMBL122902,8.52
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)ccc1Cl,CHEMBL333806,8.48
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)ccc1Cl,CHEMBL124834,8.1
+COc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1N,CHEMBL122456,7.72
+Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1Cl,CHEMBL123272,8.27
+Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12,CHEMBL123033,8.54
+Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,CHEMBL333270,9.46
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL441283,9.41
+N=C(N)c1ccc(C2=NOC(CC(=O)N[C@@H](CC(=O)O)C(=O)N3CCc4ccccc4C3)C2)cc1,CHEMBL97570,4.41
+N=C(N)c1ccc(NC(=O)C2(CC(=O)O)CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL433351,6.84
+COC(=O)CC1(C(=O)Nc2cccc(C(=N)N)c2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL93445,6.1
+N=C(N)c1ccc(NC(=O)C2CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL93657,6.57
+N=C(N)c1ccc(NC(=O)CC2CC(c3ccc(C(=N)N)cc3)=NO2)cc1,CHEMBL94799,5.77
+N=C(N)c1ccc(NC(=O)CC2CC(c3cccc(C(=N)N)c3)=NO2)cc1,CHEMBL97842,5.85
+N=C(N)c1cccc(NC(=O)CC2CC(c3cccc(C(=N)N)c3)=NO2)c1,CHEMBL94563,5.74
+N=C(N)c1ccc(C2=NOC(CC(=O)Nc3cccc(C(=N)N)c3)C2)cc1,CHEMBL317590,6.06
+COC(=O)CNC(=O)CC1(C(=O)Nc2ccc(C(=N)N)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL96879,7.74
+COC(=O)CC1(C(=O)Nc2cccc(C(=N)N)c2)CC(c2ccc(C(=N)N)cc2)=NO1,CHEMBL94761,6.93
+C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1ccc(F)c(C(=N)N)c1,CHEMBL39297,9.74
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(Cl)ccc4c3)C2=O)c1,CHEMBL431461,6.96
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(N)ccc4c3)C2=O)c1,CHEMBL92614,6.8
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ncccc4c3)C2=O)c1,CHEMBL92406,6.7
+CCCCCCCCCCC1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1,CHEMBL298964,4.77
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccccc3Cl)=NO2)cc1,CHEMBL51646,5.77
+CC/C=C(/C1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1)c1ccccc1,CHEMBL416834,4.62
+Cc1cc(C)c(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1C,CHEMBL301563,4.59
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(C(F)F)cc3)=NO2)cc1,CHEMBL263775,5.8
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc4c(c3)OCCO4)=NO2)cc1,CHEMBL300235,4.88
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(C(F)(F)F)c3)=NO2)cc1,CHEMBL50091,4.77
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Cl)cc3Cl)=NO2)cc1,CHEMBL301976,5.77
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc4ccccc4c3)=NO2)cc1,CHEMBL53178,4.7
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(I)c3)=NO2)cc1,CHEMBL53908,5.0
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc4c(c3)OCO4)=NO2)cc1,CHEMBL431745,6.31
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Cl)c(F)c3)=NO2)cc1,CHEMBL50693,5.6
+Cc1ccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1,CHEMBL51785,5.68
+COc1ccc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1,CHEMBL52122,6.15
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(Cl)c(Cl)c3)=NO2)cc1,CHEMBL417188,5.57
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(OCCOCCCl)c3)=NO2)cc1,CHEMBL300908,4.82
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc4c(c3Cl)OCO4)=NO2)cc1,CHEMBL295487,5.77
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccs3)=NO2)cc1,CHEMBL50406,5.89
+COc1cc(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)ccc1O,CHEMBL51527,4.7
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(/C=C/c3ccccc3)=NO2)cc1,CHEMBL431533,5.64
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(O)cc3)=NO2)cc1,CHEMBL298891,4.66
+CCCCCCOc1ccccc1C1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1,CHEMBL432122,5.74
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc(-c4ccccc4)cc3)=NO2)cc1,CHEMBL296531,5.96
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccccc3)=NO2)cc1,CHEMBL299541,4.96
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(/C=C/c3ccco3)=NO2)cc1,CHEMBL50644,5.64
+NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3ccc4c(c3[N+](=O)[O-])OCO4)=NO2)cc1,CHEMBL298906,5.62
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(-c4cccc([N+](=O)[O-])c4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373347,5.38
+CC(C)(C)OC(=O)CCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373367,6.12
+CC(C)(C)CC(=O)NCc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373440,5.37
+CS(=O)Cc1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1,CHEMBL2373475,5.22
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(COCc4ccccc4)nc3Cc3ccccc3)O[C@@H]1C2,CHEMBL2373344,5.8
+CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)Cn3nc(CC#N)nc3Cc3ccccc3[N+](=O)[O-])O[C@@H]1C2,CHEMBL2373405,5.31
+Cc1cn(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1,CHEMBL346825,9.52
+N=C(N)c1cccc(-c2ncsc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL160575,9.09
+N=C(N)c1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL157299,8.6
+N=C(N)c1cccc(-c2ccccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL160515,8.09
+Cn1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(-c2cccc(C(=N)N)c2)n1,CHEMBL347606,9.7
+Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)[nH]1,CHEMBL159204,8.22
+N=C(N)c1cccc(-n2cncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL158219,8.96
+N=C(N)c1cccc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL156505,8.64
+Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1,CHEMBL156924,10.22
+N=C(N)c1cccc(-c2ncccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL351755,9.0
+Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)o1,CHEMBL160958,9.4
+N=C(N)c1cccc(-n2nncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL157417,10.64
+N=C(N)c1cccc(-n2ccnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL349323,9.48
+Cc1cc(OCC2CCCN(C(=N)N)C2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL41862,4.54
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4cccnc4s3)C2=O)c1,CHEMBL328721,7.06
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1,CHEMBL314754,7.41
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431267,8.82
+COc1ccc2sc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2n1,CHEMBL96218,8.3
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,CHEMBL85757,7.59
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1,CHEMBL330011,8.52
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1,CHEMBL328893,8.7
+N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL431281,8.52
+N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1,CHEMBL90741,7.51
+N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1,CHEMBL93151,8.3
+O=C(NCc1ccc2nc[nH]c2c1)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21,CHEMBL17799,7.12
+N=C(N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL17626,8.1
+N=C(N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)CC1,CHEMBL17715,6.74
+N=C(NO)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL17248,8.7
+N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL275428,8.3
+N=C(N)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL17735,8.7
+Cc1nc(N)ccc1CNC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)CC(c3ccccc3)c3ccccc3)CC(=O)N21,CHEMBL275375,7.32
+N=C(N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(C(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL17928,7.1
+N=C(N)c1ccc2c(c1)CCC2NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21,CHEMBL18055,7.12
+N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL415990,8.3
+N=C(NO)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL416722,8.7
+N=C(N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)cc1,CHEMBL275901,9.0
+N=C(N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL17749,8.05
+Nc1ncc(CCNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)[nH]1,CHEMBL17845,6.87
+N=C(NO)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(C(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,CHEMBL277979,7.6
+Nc1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)cn1,CHEMBL17680,7.46
+Cc1cc(C(=N)N)ccc1CNC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21,CHEMBL279205,8.7
+N=C(NO)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CCc4ccccc4)CC(=O)N32)CC1,CHEMBL278919,7.85
+N=C(N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)cc1,CHEMBL404833,9.0
+Cc1nc(N)ccc1CNC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21,CHEMBL17793,8.0
+N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)cc3c(O)cccc32)c1,CHEMBL75544,8.3
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1,CHEMBL362052,5.68
+COc1cccc(-n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1,CHEMBL180080,5.61
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1,CHEMBL360477,5.05
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1,CHEMBL182987,5.6
+COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1,CHEMBL182323,7.05
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cccc(Cl)c2)CC1,CHEMBL359721,6.18
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CCc2ccc(Cl)cc2)CC1,CHEMBL181533,7.14
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CCc2ccc(Cl)cc2Cl)CC1,CHEMBL363262,6.32
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1,CHEMBL181849,7.4
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)cc3)on2)CC1,CHEMBL181694,6.09
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)cc3)no2)CC1,CHEMBL362810,6.4
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nc(-c3ccc(Cl)cc3)no2)CC1,CHEMBL360510,5.65
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)cc3)s2)CC1,CHEMBL363485,5.56
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182746,8.52
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)no2)CC1,CHEMBL184988,8.52
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1,CHEMBL182577,8.4
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1,CHEMBL361147,7.24
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)s2)CC1,CHEMBL182755,7.82
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1,CHEMBL368238,8.52
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)CC1,CHEMBL182562,6.54
+CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1,CHEMBL182597,9.0
+CC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1,CHEMBL192853,5.0
+CC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1,CHEMBL190020,5.0
+CC(=O)Oc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br,CHEMBL366158,6.55
+COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2)c1Cl,CHEMBL191509,7.6
+CCN(CC)C(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(OC)c(OCCc2ccc(Cl)cc2Cl)c1,CHEMBL193042,6.82
+COc1ccc(C(=O)NCC2CCN(C(=N)N)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192700,6.72
+COc1ccc(C(=O)NCC2CCN(c3cc[nH]c(=O)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192883,6.02
+COc1ccc(C(=O)NCC2CC(c3ccncc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL189969,5.95
+COc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL373089,5.81
+COc1ccc(C(=O)NCC2CC(c3cc[n+]([O-])cc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192851,6.02
+Cc1ccc(C(=O)N2CCN(Cc3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192961,6.39
+O=C(c1ccc(CO)c(OCCc2ccc(Cl)cc2Cl)c1)N1CCN(Cc2cc[n+]([O-])cc2)CC1,CHEMBL192522,5.21
+COc1ccc(C(=O)NCC2CCN(c3cc(C)nc(N)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL193066,5.0
+COc1ccc(C(=O)NCC2CCN(c3ccnc(SC)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL189377,5.0
+Cc1ccc(C(=O)NCC2CCN(C(=N)N)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL190763,6.76
+Cc1ccc(C(=O)NCC2CCN(C(=N)NC(=O)OCc3ccccc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192011,5.29
+CC(=N)N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1,CHEMBL192811,6.85
+COc1ccc(C(=O)NCC2CCN(c3ccc(Cl)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL365165,5.0
+COc1ccc(C(=O)NCC2CCN(c3cccc(C#N)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL191682,5.0
+COc1ccc(C(=O)NCC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL189049,5.0
+COc1cc(N2CCC(CNC(=O)c3ccc(OC)c(OCCc4ccc(Cl)cc4Cl)c3)CC2)nc(OC)n1,CHEMBL370089,5.0
+COc1ccc(C(=O)NCC2CCN(c3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192818,5.83
+COc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL363862,5.86
+COc1ccc(C(=O)NC2CCN(c3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL193145,5.9
+COc1ccc(C(=O)NCC2CCN(c3cnccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL195326,5.0
+COc1ccc(C(=O)NCC2CCN(c3cncnc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL193012,5.0
+COc1ccc(N2CCC(CNC(=O)c3ccc(OC)c(OCCc4ccc(Cl)cc4Cl)c3)CC2)cn1,CHEMBL193063,5.0
+COc1ccc(C(=O)NCC2CCN(C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL193216,5.36
+COc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192576,5.85
+COc1ccc(C(=O)NCC2CCN(c3ccccc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192403,5.0
+COc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192857,5.98
+COc1ccc(C(=O)NC2CCN(C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL191922,5.39
+COc1ccc(C(=O)NCC2CCN(C3CCNCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL426275,5.24
+COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OC,CHEMBL192590,6.78
+CCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL371386,6.51
+COc1ccc(C(=O)Nc2ccc(-c3ccccc3C#N)cc2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL191861,5.0
+COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL190670,5.27
+COc1ccc(C(=O)NCC2CCN(c3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL190930,5.52
+COc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192985,5.66
+COc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL191937,5.41
+COc1ccc(C(=O)NCCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL373145,5.65
+COc1ccc(C(=O)NCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL426456,5.37
+COc1ccc(C(=O)NCC2CCC(CN)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL538908,5.03
+COc1ccc(C(=O)NCC2CCN(C3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL365807,5.19
+COc1ccc(C(=O)NCC2CCN(C3CCCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192516,5.21
+COc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL192742,5.6
+COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl,CHEMBL364294,5.59
+O=C(c1cccc(OCCc2ccc(Cl)cc2Cl)c1)N1CCN(Cc2ccncc2)CC1,CHEMBL443306,5.55
+O=C(NCC1CCN(c2ccncc2)CC1)c1cc(OCCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],CHEMBL371342,5.31
+CC(C)N1CC[C@@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1,CHEMBL366134,7.32
+CC(C)N1CC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1,CHEMBL360151,6.65
+CC(C)CN1CC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1,CHEMBL360437,6.46
+CC(C)N1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1,CHEMBL361386,6.08
+O=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL182763,7.85
+O=C(NC1CCN(c2ccncn2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL180745,7.02
+O=C(NCC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL185357,7.19
+O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Nc2ccncc2)CC1,CHEMBL440755,7.74
+O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Oc2ccncc2)CC1,CHEMBL184901,5.54
+O=C(NC1CN(c2ccncc2)C1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL185556,7.92
+CN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182975,7.4
+CCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL183426,7.74
+CCCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182727,7.19
+CCC(CC)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182441,6.66
+CC(C)CN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL360974,6.85
+O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL180695,7.57
+O=C(NC1CCN(C2CCCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL362294,7.15
+O=C(NC1CCN(C2CCCCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL446437,6.97
+CC(C)NC1CCN(C(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL182480,5.52
+CC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL363123,6.79
+O=C(NC1CCN(CCO)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL184775,6.88
+O=C(NC1CCN(C2CCOCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL184899,7.02
+CC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL426255,6.12
+CS(=O)(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL185071,6.9
+NC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL362225,5.97
+CC(C)N1CC[C@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1,CHEMBL359704,6.99
+CC1CCCCN1CCCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,CHEMBL197032,6.86
+CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1ccc2ccccc2c1,CHEMBL193745,6.29
+CN1CCN(CCCN(Cc2ccc3ccc(C(=N)N)cc3c2)C(=O)c2cccc3ccccc23)CC1,CHEMBL371051,6.87
+COc1ccc(CCN(Cc2ccc3ccc(C(=N)N)cc3c2)C(=O)c2cccc3ccccc23)cc1OC,CHEMBL380813,6.38
+CN1CCCC1CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,CHEMBL194689,6.95
+N=C(N)c1ccc2ccc(CN(CCc3ccc(F)cc3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL372847,7.4
+N=C(N)c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL195032,6.98
+N=C(N)c1ccc2ccc(CN(CCCc3ccccc3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL195238,6.2
+N=C(N)c1ccc2ccc(CN(CCCn3ccnc3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL196182,6.14
+N=C(N)c1ccc2ccc(CN(CCc3cnc[nH]3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL195314,6.58
+CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,CHEMBL382064,6.58
+N=C(N)c1ccc2ccc(CN(CCCN3CCOCC3)C(=O)c3cccc4ccccc34)cc2c1,CHEMBL197563,6.35
+CC(C)N1CCC(NC(=O)c2cc3cc(F)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL364007,8.52
+CC(C)N1CCC(NC(=O)c2cc3cc(Cl)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL189311,8.3
+CC(C)N1CCC(NC(=O)c2cc3cc(Br)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL190694,8.05
+CC(C)N1CCC(NC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL363143,6.08
+Cc1ccc2c(c1)cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL364696,8.05
+CC(C)N1CCC(NC(=O)c2cc3cc(C#N)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL430300,8.7
+CC(C)N1CCC(NC(=O)c2cc3cc(S(C)(=O)=O)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL189949,7.7
+CC(C)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL190599,9.0
+CC(C)N1CCC(NC(=O)c2cc3c(Cl)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL188661,8.15
+CC(C)N1CCC(NC(=O)c2cc3ccc(Cl)cc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL191480,8.15
+CC(C)N1CCC(NC(=O)c2cc3cccc(Cl)c3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL190335,9.15
+Cc1cccc2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL363753,8.52
+Cc1ccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c2c1,CHEMBL190839,7.74
+Cc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c12,CHEMBL190142,9.6
+Cc1ccc(C)c2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,CHEMBL188275,9.0
+CC(C)N1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3n2Cc2cc(-c3cc(Cl)cs3)on2)CC1,CHEMBL364268,10.0
+CC(C)N1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL190913,8.7
+CC(C)N1CCC(NC(=O)c2c(Cl)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL370959,8.7
+CC(C)N1CCC(NC(=O)c2c(Br)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL190471,8.7
+Cc1c(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)c2ccccc12,CHEMBL188693,8.52
+CC(C)N1CCC(NC(=O)c2c(-c3ccccc3)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL189981,7.26
+CC(C)N1CCC(NC(=O)c2c(C#N)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL189587,9.52
+Cc1cccc2c(C#N)c(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c12,CHEMBL191394,10.15
+CC(C)N1CCC(NC(=O)c2c(C#N)c3cc(S(C)(=O)=O)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1,CHEMBL371820,8.15
+COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)c(C#N)c3cccc(C)c32)c1,CHEMBL360192,6.39
+Cc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cc3)c12,CHEMBL434356,8.52
+Cc1cccc2c(C#N)c(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cc3)c12,CHEMBL190378,7.59
+Cc1cccc2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2CC(=O)Nc1ccc(C(=N)N)cc1,CHEMBL190386,7.6
+N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncn4)CC3)cc2C1,CHEMBL195428,7.72
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cccnc43)cc2F)c1,CHEMBL183785,10.7
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)ccc43)cc2F)c1,CHEMBL186761,9.38
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccc(Cl)cc43)cc2F)c1,CHEMBL425538,9.6
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(C(F)(F)F)ccc43)cc2F)c1,CHEMBL184427,9.54
+Cc1ccc2c(c1)ncn2-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)c(F)c1,CHEMBL186693,9.57
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(N)ccc43)cc2F)c1,CHEMBL363962,9.92
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc([N+](=O)[O-])ccc43)cc2F)c1,CHEMBL434521,10.1
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)c(Cl)cc43)cc2F)c1,CHEMBL360636,9.57
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3ccc4ccccc43)cc2F)c1,CHEMBL186272,8.27
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3c(=O)[nH]c4ccccc43)cc2)c1,CHEMBL360197,10.3
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3ccnc3)cc2)c1,CHEMBL185707,10.05
+N=C(N)c1cccc(-n2nc(Cn3ccnc3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL426071,9.24
+N=C(N)c1cccc(-n2nc(Cn3cncn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL185909,9.72
+N=C(N)c1cccc(-n2nc(Cn3ccnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL185232,9.59
+N=C(N)c1cccc(-n2nc(Cn3cnnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL187097,9.51
+N=C(N)c1cccc(-n2nc(-c3cccnc3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL183002,9.7
+N=C(N)c1cccc(-n2nc(-c3cccnc3)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)ccc43)cc2)c1,CHEMBL184887,9.19
+Cc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n(-c2cccc(C(=N)N)c2)n1,CHEMBL366323,9.42
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,CHEMBL186831,10.05
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2F)c1,CHEMBL183682,10.0
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ncccc43)cc2F)c1,CHEMBL185301,10.7
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cnccc43)cc2F)c1,CHEMBL426439,10.52
+N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccncc43)cc2F)c1,CHEMBL362362,10.4
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,CHEMBL425512,9.8
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccncc4S(N)(=O)=O)cc3F)cc12,CHEMBL368285,10.0
+Cn1ccnc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL179964,9.29
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12,CHEMBL359695,9.04
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(N4CCOCC4)cc3F)cc12,CHEMBL175779,8.2
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(C#N)c1,CHEMBL179410,9.28
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL445391,9.22
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(-n2ccnc2C)c1,CHEMBL368927,8.8
+COc1cc(-n2ccnc2C)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL179213,8.55
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(C(N)=O)c1,CHEMBL176157,8.11
+Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL175449,9.15
+CCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL176494,9.14
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CO)cc3F)cc12,CHEMBL426957,9.0
+NCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL361846,8.52
+CNCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL367954,9.77
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CN4CCCC4)cc3F)cc12,CHEMBL179665,9.43
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL554926,10.05
+CC(C)c1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL355576,8.8
+COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1,CHEMBL179938,5.92
+COc1cc(CNc2ccc(C(=N)N)cc2)c(NS(C)(=O)=O)cc1OCc1ccccc1,CHEMBL180105,4.59
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1OCc1ccccc1,CHEMBL178616,5.1
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1,CHEMBL178134,4.91
+COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(C(=O)Cc2ccccc2)cc1OCc1ccccc1,CHEMBL366921,4.72
+COc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC,CHEMBL179983,4.52
+CCOc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OCC,CHEMBL360313,4.72
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL179270,5.28
+CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1,CHEMBL180857,5.35
+CCOc1ccc(CNc2ccc(C(=N)N)cc2)cc1OCC,CHEMBL181265,4.41
+N=C(N)c1ccc2scc(C3(C(=O)Nc4ccc(-n5cnc6ccccc65)cc4)CC3)c2c1,CHEMBL185330,7.66
+N=C(N)c1ccc2scc(C(CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1,CHEMBL184896,6.55
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1,CHEMBL363310,5.69
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2c1,CHEMBL363110,5.27
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1,CHEMBL367575,6.35
+CC1CCC(NC(=O)C(Cc2ccccc2)c2csc3ccc(C(=N)N)cc23)CC1,CHEMBL182939,5.49
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,CHEMBL361607,9.2
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL183384,6.92
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL360894,8.6
+N=C(N)c1ccc2scc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL360550,7.33
+N=C(N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL362184,8.4
+N=C(N)c1ccc2scc(C(Cc3cccc4ccccc34)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL182800,6.13
+CCC(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1csc2ccc(C(=N)N)cc12,CHEMBL361520,7.15
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2c1,CHEMBL361327,6.39
+COC(=O)[C@@H]1CCCCC1NC(=O)C(Cc1ccccc1)c1csc2ccc(C(=N)N)cc12,CHEMBL362640,6.92
+COC(=O)[C@H]1CCCCC1NNC(=O)C(Cc1ccccc1)c1csc2ccc(C(=N)N)cc12,CHEMBL181667,6.52
+COC(=O)[C@@H]1CCCCC1NNC(=O)C(Cc1ccccc1)c1csc2ccc(C(=N)N)cc12,CHEMBL183547,7.05
+COC(=O)[C@H]1CCCCC1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12,CHEMBL361544,6.57
+N=C(N)c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1,CHEMBL181116,5.57
+N=C(N)c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1,CHEMBL436278,5.24
+CCNC(=O)[C@@H]1CCCCC1NC(=O)C(Cc1ccccc1)c1csc2ccc(C(=N)N)cc12,CHEMBL361374,6.89
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)NC3CCCC[C@H]3C(=O)NCC(N)=O)c2c1,CHEMBL369777,7.19
+N=C(N)c1ccc2scc(C(Cc3ccccc3)C(=O)NC3CCCC[C@H]3C(=O)O)c2c1,CHEMBL183172,6.7
+COC(=O)[C@@H]1CCCCC1NC(=O)C(Cc1ccccc1)c1c[nH]c2ccc(C(=N)N)cc12,CHEMBL183398,7.72
+CCOC(=O)[C@@H]1CCCCC1NC(=O)C(Cc1ccccc1)c1coc2ccc(C(=N)N)cc12,CHEMBL180869,6.57
+CCOC(=O)[C@@H]1CCCCC1NC(=O)C(Cc1ccccc1)c1cccc2ccc(C(=N)N)cc12,CHEMBL362478,6.28
+N=C(N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL3350245,8.89
+N=C(N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL2096790,7.59
+CC(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(=N)N)cc12,CHEMBL185269,8.52
+CC(C)(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(=N)N)cc12,CHEMBL364580,8.66
+CCC(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(=N)N)cc12,CHEMBL364191,8.55
+N=C(N)c1ccc2[nH]cc(C(CC3CC3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL363771,7.85
+N=C(N)c1ccc2[nH]cc(C(CCc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL186076,8.21
+N=C(N)c1ccc2[nH]cc(C(Cc3ccc4ccccc4c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL186410,7.55
+N=C(N)c1ccc2[nH]cc(C(Cc3cccc(C(=O)O)c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL364434,8.74
+N=C(N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL365022,8.15
+N=C(N)c1ccc2[nH]cc(C(Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL363885,7.74
+N=C(N)c1ccc2[nH]cc(C(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL364771,7.72
+N=C(N)c1ccc2ccn(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,CHEMBL366135,8.25
+Cn1cc(C(Cc2ccccc2)C(=O)Nc2ccc(-n3cnc4ccccc43)cc2F)c2cc(C(=N)N)ccc21,CHEMBL185984,6.8
+N=C(N)c1ccc2[nH]cc(CC(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL363101,7.35
+N=C(N)c1ccc2[nH]cc(C(CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1,CHEMBL183417,7.44
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(-n4cnc5ccccc54)cc3)c2c1,CHEMBL185786,7.14
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3)c2c1,CHEMBL359573,6.09
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)c2c1,CHEMBL366053,5.59
+N=C(N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1,CHEMBL187646,7.1
+CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C(Cc4ccccc4)c4c[nH]c5ccc(C(=N)N)cc45)cc3)[nH]c2c1,CHEMBL363266,5.96
+FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1,CHEMBL198923,7.92
+FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1,CHEMBL197984,7.3
+FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1,CHEMBL198416,7.96
+FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)C1CCCCN1,CHEMBL198735,8.92
+c1ccc(-n2cnnn2)c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1,CHEMBL194486,8.15
+Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1,CHEMBL426101,8.41
+Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCCN4Cc4ccccc4)nccc3o2)c1,CHEMBL198978,8.43
+CCOC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12,CHEMBL372194,8.66
+FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1,CHEMBL197128,7.33
+O=C(O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12,CHEMBL197593,8.38
+FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)c1ccccn1,CHEMBL196315,9.11
+OCCN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12,CHEMBL197843,8.62
+Cc1cc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc2c(NCC(F)(F)c2ccccn2)n1,CHEMBL198820,9.12
+FC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12,CHEMBL370396,8.33
+FC(F)(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12,CHEMBL194670,7.27
+[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3cccc(Cl)c3)nc12,CHEMBL194316,8.52
+FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1,CHEMBL372108,4.22
+Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,CHEMBL198436,8.22
+Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1,CHEMBL198071,6.4
+[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3N3CNC=N3)nc12,CHEMBL194569,7.85
+Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,CHEMBL196733,8.14
+[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12,CHEMBL194414,8.57
+O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL198362,9.306
+COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1,CHEMBL199268,6.14
+CCOc1cc(-c2cccnc2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199236,5.66
+CCOc1cc(-c2ccccc2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199235,5.85
+CCOc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL382094,5.82
+C#Cc1cc(O[C@@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL381222,4.82
+CCOc1cc(O[C@@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL371900,5.04
+C#Cc1cc(O[C@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198844,5.59
+CCOc1cc(O[C@H]2CCOC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198843,5.64
+CCOc1cc(OC2CCN(C)CC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199211,5.8
+CCOc1cc(OC2CCN(S(C)(=O)=O)CC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199277,5.36
+CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL383382,4.91
+C#Cc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL382278,5.54
+C=Cc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL198533,4.88
+CCOc1cc(OC2CCOCC2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199272,5.54
+CCOc1cc(OCC)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,CHEMBL199271,5.25
+CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1,CHEMBL198631,6.1
+Cc1cc2cc(N/C(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)C(C#N)C(=O)OCCCCO)ccc2o1,CHEMBL198629,7.92
+COc1cc(F)cc2[nH]c(Cc3nc4ccc(C(=N)N)cc4[nH]3)nc12,CHEMBL201843,8.52
+N=C(N)c1ccc2nc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)[nH]c2c1,CHEMBL202559,8.52
+N=C(N)c1ccc2nc(Cc3nc4c(F)cc(F)cc4[nH]3)[nH]c2c1,CHEMBL202394,8.22
+Cc1cc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2cc1C,CHEMBL204589,8.7
+COc1cc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2cc1OC,CHEMBL382480,7.1
+N=C(N)c1ccc2nc(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2c1,CHEMBL205179,6.85
+N=C(N)c1ccc2nc(Cc3nc4cc(F)c(F)cc4[nH]3)[nH]c2c1,CHEMBL204092,8.22
+COc1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL203989,7.4
+N=C(N)c1ccc2nc(Cc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1,CHEMBL204260,9.0
+N=C(N)c1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1,CHEMBL377077,9.0
+N=C(N)c1ccc2nc(Cc3ccccn3)[nH]c2c1,CHEMBL204126,7.22
+NCc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL381316,8.7
+C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL205383,10.3
+C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CCOCC1,CHEMBL380431,10.7
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[n+]4ccccc4)cc3F)cc12,CHEMBL263252,10.1
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4Cn4ccnc4)cc3F)cc12,CHEMBL382559,9.18
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCNCC4)cc3F)cc12,CHEMBL380829,8.94
+CN1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CC1,CHEMBL205653,9.07
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCOCC4)cc3F)cc12,CHEMBL407942,9.26
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCCCC4)cc3F)cc12,CHEMBL204416,9.82
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@H](N)C4)cc3F)cc12,CHEMBL205288,9.27
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@@H](N)C4)cc3F)cc12,CHEMBL380430,9.28
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@H](O)C4)cc3F)cc12,CHEMBL381836,9.28
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3F)cc12,CHEMBL436766,9.8
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCC[C@H]4CO)cc3F)cc12,CHEMBL382339,9.7
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCCC4)cc3F)cc12,CHEMBL379036,10.0
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC4)cc3F)cc12,CHEMBL426313,9.4
+CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL381949,9.635
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CNC4CCCC4)cc3F)cc12,CHEMBL380618,9.52
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CNC4CCC4)cc3F)cc12,CHEMBL380617,9.7
+CC(C)NCc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL205187,9.47
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CNCC4CC4)cc3F)cc12,CHEMBL380356,9.6
+CNCc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL204994,9.57
+CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F,CHEMBL205904,4.94
+N=C(N)c1ccc2nc(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1,CHEMBL207720,6.49
+Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2n1,CHEMBL377956,5.46
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1,CHEMBL266349,5.43
+N=C(N)c1ccc2nc(-c3cccc(-c4cc(CNC(N)=O)ccc4O)c3O)[nH]c2c1,CHEMBL378916,5.57
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL379068,4.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL437307,4.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212577,4.46
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212014,4.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL379194,4.68
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL378657,5.02
+N=C(N)NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c1,CHEMBL378192,5.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)CCN)cc2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211401,4.82
+N=C(N)NCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)cc1,CHEMBL380221,5.0
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1,CHEMBL380220,5.64
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1,CHEMBL378643,5.66
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL209794,6.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL379357,4.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1,CHEMBL210189,4.62
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL211659,4.47
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL210815,4.18
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL377627,5.49
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL378830,5.74
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL212310,4.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211939,4.12
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL210771,4.57
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(=N)N)CC2)c1,CHEMBL211209,5.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCNCC2)c1,CHEMBL209586,5.96
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=N)N)CC2)c(C(C)C)c1,CHEMBL211754,5.43
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL212538,5.34
+N=C(N)NCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706846,5.31
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N2CCC(C(=O)NCCN)CC2)c1,CHEMBL3706845,5.4
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212031,5.3
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCN)CC2)c(C(C)C)c1,CHEMBL377763,5.2
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL107955,5.77
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL208586,5.24
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL211367,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL379586,5.0
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL379186,4.77
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)CCc2cccc3ccccc23)CC1,CHEMBL211549,4.1
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL426501,5.29
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL379958,5.0
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL212271,4.25
+CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)cc1,CHEMBL379957,5.08
+CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706844,5.89
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL438959,5.39
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL211086,5.64
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)CC1,CHEMBL379075,5.34
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706847,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL209963,5.28
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL209910,5.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CN)CC2)c(C(C)C)c1,CHEMBL209841,4.98
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCN)CC2)c(C(C)C)c1,CHEMBL379960,4.89
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212209,5.55
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210386,5.05
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL212616,4.82
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210244,5.54
+C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL211447,7.09
+C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL377447,7.8
+C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL212165,7.4
+C[C@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL377992,6.8
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL211755,7.28
+C[C@H](C(=O)N1CCOCC1)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL212570,7.09
+CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL438066,9.0
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL378479,8.52
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(=O)O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL213189,8.7
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL213188,8.0
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL385587,8.22
+C[C@@H](C(=O)N1CCN(C)CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL210165,5.69
+C[C@@H](C(=O)N1CCNCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL211938,6.49
+C[C@@H](C(=O)N1CC2CNCC(C2)C1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL377604,7.89
+C[C@@H](C(=O)N1CC2CCC1CC2)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL211764,8.52
+C[C@@H](C(=O)N1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL378996,7.3
+CC(C)(C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL210019,4.97
+CCC(C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL380187,6.24
+C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL209816,8.7
+C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL211875,9.0
+O=C(CN1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCCCC1,CHEMBL380256,7.2
+CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL212360,7.14
+CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL210079,7.22
+COc1ccc(-n2nc(C(F)(F)F)c3c(C)nn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL384682,8.55
+COc1ccc(-n2nc(Cn3ncnn3)c3nc(C)n(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL211123,8.72
+COc1ccc(-n2nc(Cn3cnnn3)c3nc(C)n(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL212422,8.85
+COc1ccc(-n2nc(Cn3ccnc3)c3nc(C)n(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL212371,8.68
+COc1ccc(-n2nc(C#N)c3nc(C)n(-c4ccc(-c5ccccc5CN(C)C)cc4)c(=O)c32)cc1,CHEMBL210121,8.74
+COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CN(C)C)cc4)c(=O)c32)cc1,CHEMBL210120,8.68
+COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL385140,8.77
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc4)c(=O)c32)cc1,CHEMBL211386,8.82
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(=O)c32)cc1,CHEMBL213352,9.13
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,CHEMBL384526,8.96
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4CO)cc3)cnc12,CHEMBL211124,7.35
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3F)cnc12,CHEMBL378294,8.44
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3)cnc12,CHEMBL379937,8.42
+COc1ccc(-n2nc(C(F)(F)F)c3c(C)nn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1,CHEMBL212974,8.55
+COc1ccc(-n2nc(CN)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1,CHEMBL211853,7.66
+COc1ccc(-n2nc(C(=O)O)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1,CHEMBL379090,7.42
+COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1,CHEMBL208549,8.72
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4F)c(=O)c32)cc1,CHEMBL213636,8.92
+COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1,CHEMBL379986,8.77
+COC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cnc12,CHEMBL209835,8.55
+COc1ccc(-n2nc(C#N)c3[nH]c(=O)n(-c4ccc(-c5ccccc5S(C)(=O)=O)cc4F)c(=O)c32)cc1,CHEMBL212279,8.52
+COc1ccc(-n2nc(C#N)c(N)c2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)cc1,CHEMBL378221,8.08
+COC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cnc12,CHEMBL437114,8.74
+NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,CHEMBL213927,4.0
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3)CC4)cc12,CHEMBL378093,10.52
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCCC5)cc3)CC4)cc12,CHEMBL378092,9.82
+CNCc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL209376,9.47
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCCC3)cc1)C2=O,CHEMBL379588,9.51
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN(C)C)cc1)C2=O,CHEMBL385679,9.26
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3F)CC4)cc12,CHEMBL263767,9.8
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCCC5)cc3F)CC4)cc12,CHEMBL402881,9.62
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@H](O)C5)cc3)CC4)cc12,CHEMBL378222,9.92
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCC(O)CC5)cc3)CC4)cc12,CHEMBL213888,9.66
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCOCC5)cc3)CC4)cc12,CHEMBL428982,9.46
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCNCC5)cc3)CC4)cc12,CHEMBL212202,9.19
+CN1CCN(Cc2ccccc2-c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc6onc(N)c6c5)c4C3=O)cc2)CC1,CHEMBL265087,9.15
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL380405,9.57
+Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1F)C2=O,CHEMBL379397,9.47
+CCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL386294,9.96
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1,CHEMBL436791,9.89
+CN(C)Cc1ccccc1-c1ccc(N2CCCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL210175,9.09
+CN(C)Cc1ccccc1-c1ccc(N2CCCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1,CHEMBL209916,9.07
+CN(C)Cc1ccccc1-c1ccc(N2CC=Cc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL209483,9.22
+CN(C)Cc1ccccc1-c1ccc(N2CC=Cc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1,CHEMBL377589,9.22
+CN(C)Cc1ccccc1-c1ccc(N2CNc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL212770,9.6
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,CHEMBL211410,10.4
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3)CN4)cc12,CHEMBL384129,9.68
+Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2CN2CC[C@@H](O)C2)cc1,CHEMBL385487,9.74
+Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2CNCC2CC2)cc1,CHEMBL386203,9.3
+Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2CN(C)C)cc1,CHEMBL438647,9.77
+CN(C)Cc1ccccc1-c1ccc(-n2cnc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1,CHEMBL215426,9.46
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN(C)C(C)C)cc3)c(C)nc12,CHEMBL385198,9.46
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc3)c(C)nc12,CHEMBL386463,9.43
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN(C)C)cc3)c(C)nc12,CHEMBL213865,9.57
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CNC(C)C)cc3)cnc12,CHEMBL386246,8.82
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CNCC4CC4)cc3)cnc12,CHEMBL217655,8.77
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CC[C@H](O)C4)cc3)cnc12,CHEMBL214444,9.3
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3)cnc12,CHEMBL214550,8.89
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN(C)C)cc3)cnc12,CHEMBL386101,9.28
+CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3)cnc12,CHEMBL387408,8.8
+CN(C)Cc1ccccc1-c1ccc(-c2n[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1,CHEMBL218131,8.26
+Nc1[nH]c2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)c1-c1ccc(-c2ccccc2CN2CCC(O)CC2)cc1,CHEMBL214730,9.11
+CN(C)Cc1ccccc1-c1ccc(-c2c[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1,CHEMBL387481,8.49
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6CN6CCC(O)CC6)cc5)c(=O)c43)cc12,CHEMBL215158,9.66
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6CN6CC[C@@H](O)C6)cc5)c(=O)c43)cc12,CHEMBL214462,9.96
+CN(C)Cc1nccn1-c1ccc(-n2c(=O)[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)c(F)c1,CHEMBL384140,9.46
+O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)[C@@H](O)Cc1ccccc1,CHEMBL213180,4.52
+Nc1nccc2[nH]c(-c3cccc(-c4cccc(CNC(=O)[C@@H](O)Cc5ccccc5)c4)c3O)cc12,CHEMBL212401,4.27
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc5onc(N)c45)c3C2=O)cc1,CHEMBL373528,10.4
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(N)c1,CHEMBL218723,9.7
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(S(N)(=O)=O)c1,CHEMBL374306,9.92
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(N)=O)c1,CHEMBL221377,9.74
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)cc1,CHEMBL221913,9.72
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4C(N)=O)c3C2=O)cc1,CHEMBL218659,8.7
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4S(N)(=O)=O)c3C2=O)cc1,CHEMBL376710,9.13
+NC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)c1,CHEMBL374305,9.14
+NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)CC2,CHEMBL374304,8.92
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1,CHEMBL218525,9.49
+CCc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1,CHEMBL376227,8.59
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(NS(C)(=O)=O)c4)c3C2=O)cc1,CHEMBL221911,7.33
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(NC(N)=O)c4)c3C2=O)cc1,CHEMBL376622,7.27
+CC(=O)Nc1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)c1,CHEMBL221028,7.06
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(N)c4)c3C2=O)cc1,CHEMBL221968,8.7
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc([N+](=O)[O-])c4)c3C2=O)cc1,CHEMBL384769,7.7
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(C#N)c4)c3C2=O)cc1,CHEMBL221092,7.92
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4C(N)=O)c3C2=O)cc1,CHEMBL385756,8.57
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4S(N)(=O)=O)c3C2=O)cc1,CHEMBL374187,9.09
+CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL218428,8.7
+CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL374068,8.4
+CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL218116,9.0
+CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221239,9.0
+CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL222074,9.0
+CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221176,9.0
+CC(C)N(CCCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373570,8.52
+CC(C)N(CCCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221852,8.3
+CC(C)N(CCCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221851,8.7
+CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL219006,8.7
+CC(C)N(CCN(C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373992,8.7
+CC(C)N(CCS(N)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL376716,8.52
+C[C@@H](C(=O)N(CCNS(C)(=O)=O)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373593,8.7
+CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373451,9.0
+C[C@@H](C(=O)NCCNS(C)(=O)=O)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL374524,4.41
+C[C@@H](C(=O)N(CCNC(N)=O)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL220542,8.15
+CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL426705,8.7
+CC(C)N(CCC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL220541,7.96
+C[C@@H](C(=O)N(CCN)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL376714,7.82
+CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL434924,8.4
+C[C@@H](C(=O)NCCN)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221844,5.39
+C[C@@H](C(=O)N(CCO)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL222129,8.15
+CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL222059,8.22
+CC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221704,7.89
+CC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373457,8.22
+CC(C)N(Cc1cccnc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221475,8.05
+CC(C)N(Cc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL374796,7.96
+CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL222108,7.62
+CCN(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL218265,7.57
+C[C@@H](C(=O)N(CCC#N)C1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373991,7.14
+C[C@@H](C(=O)N(CCC#N)C1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL376709,7.96
+C[C@@H](C(=O)N(CCC#N)C1CCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL373967,7.82
+C[C@@H](C(=O)N(CCC#N)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL441709,8.52
+C[C@@H](C(=O)N(CCC#N)C1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL386840,7.24
+CC(C)CN(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL384017,6.87
+CC(C)N(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL218420,8.3
+CCN(C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(C)C,CHEMBL221738,7.96
+CC(C)N(C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL426394,7.66
+CC(C)NC(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221687,5.57
+CCN(CC)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL434760,7.62
+CCN(C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL221093,7.25
+C[C@@H](C(=O)N(C)C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,CHEMBL374188,6.46
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O,CHEMBL217914,7.82
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3o2)C1=O,CHEMBL219163,6.11
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3o2)C1=O,CHEMBL220909,6.55
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O,CHEMBL375112,7.05
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)C1=O,CHEMBL220582,6.77
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2nc3cc(Cl)ccc3s2)C1=O,CHEMBL221951,6.95
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2nc3ccc(Cl)cc3s2)C1=O,CHEMBL221198,5.38
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O,CHEMBL220529,7.33
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)nc2)C1=O,CHEMBL221153,7.62
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2nnc(-c3ccc(Cl)s3)[nH]2)C1=O,CHEMBL220513,6.27
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ncc(-c3ccc(Cl)s3)s2)C1=O,CHEMBL223457,8.7
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cnc(-c3ccc(Cl)s3)s2)C1=O,CHEMBL223787,8.3
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)o2)C1=O,CHEMBL220387,5.92
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ncc(Cl)s3)s2)C1=O,CHEMBL223781,5.49
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ncc(Cl)cc3s2)C1=O,CHEMBL223683,5.44
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)cnc3s2)C1=O,CHEMBL223682,5.54
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3nc(Cl)ccc3s2)C1=O,CHEMBL426536,6.79
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(/C=C/Cl)cc2)C1=O,CHEMBL223293,6.5
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3sc(Cl)cc3s2)C1=O,CHEMBL220788,6.78
+Cc1ccc2cc(S(=O)(=O)N[C@H]3CCN([C@@H](C)C(=O)N4CCOCC4)C3=O)ccc2c1,CHEMBL220051,6.96
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O,CHEMBL220050,8.4
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1=O,CHEMBL223891,7.96
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O,CHEMBL220171,8.4
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL395719,9.49
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NCC(=O)O,CHEMBL395970,8.08
+CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL230360,7.77
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(=O)O,CHEMBL394517,8.82
+CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL390403,8.54
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)O,CHEMBL390402,9.03
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1,CHEMBL229036,9.0
+CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228341,9.04
+CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228340,8.77
+COC(=O)C(=O)N[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL427464,9.2
+COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228285,9.06
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)CC(=O)O,CHEMBL389960,10.1
+NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL396286,10.31
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CCC(=O)O)NC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL228612,9.28
+CON(C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)[C@@H](CCC(=O)O)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL397895,9.62
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL396058,10.23
+NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)C(CCc1ccccn1)NS(=O)(=O)Cc1ccccc1,CHEMBL228984,9.6
+C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL228983,10.48
+C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN,CHEMBL230134,10.08
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NCC(=O)O,CHEMBL397251,7.8
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(=O)O,CHEMBL230025,7.19
+CCOC(=O)CC(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL230024,6.7
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)C(=O)O,CHEMBL231595,8.31
+COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL395773,8.31
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)CC(=O)O,CHEMBL231494,8.8
+CC(C)OC(=O)CS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL231393,9.12
+CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN,CHEMBL231292,8.47
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccc(CC(=O)O)cc1,CHEMBL388481,9.44
+COC(=O)Cc1ccc(CS(=O)(=O)NC(CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2CN)cc1,CHEMBL442228,9.46
+O=C(CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1cccs1,CHEMBL231089,7.28
+O=C(CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1ccc(Cl)s1,CHEMBL231088,7.28
+NCc1ccccc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL231087,7.49
+NCc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1,CHEMBL397921,10.02
+O=C(CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1cc(Cl)ccc1Cl,CHEMBL397679,8.59
+O=C(CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCc1cccc(Cl)c1,CHEMBL230981,8.48
+O=C(CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)NCCc1ccncc1,CHEMBL230880,5.41
+Nc1ccc(CNC(=O)CNC(=O)C(CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cn1,CHEMBL230879,7.68
+CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL227121,9.06
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncc[nH]2)c1Cl,CHEMBL389210,10.7
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2)c1Cl,CHEMBL226826,10.66
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC(=O)NC2=N)c1Cl,CHEMBL389638,10.47
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncco2)c1Cl,CHEMBL226669,10.23
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCS2)c1Cl,CHEMBL449702,10.62
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NC(=O)CO2)c1Cl,CHEMBL226668,10.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCCO2)c1Cl,CHEMBL387856,10.92
+CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NC(C)CO1,CHEMBL226616,10.51
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCC(C)O2)c1Cl,CHEMBL226615,9.92
+COCCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1,CHEMBL425311,9.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C2=NCCO2)C(C)(C)C)c1Cl,CHEMBL427276,9.92
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(CC(F)(F)F)C2=NCCO2)c1Cl,CHEMBL390056,8.66
+CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1,CHEMBL226564,10.92
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCC(=O)O)c1Cl,CHEMBL390055,10.66
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCN2CCCC2)c1Cl,CHEMBL227360,10.44
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCO)c1Cl,CHEMBL227359,10.3
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=O)c1Cl,CHEMBL227308,10.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)S(C)(=O)=O)c1Cl,CHEMBL227307,10.35
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCN2CCCC2)c1Cl,CHEMBL441880,10.72
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCN(C)C)c1Cl,CHEMBL376791,10.62
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(O)CO)c1Cl,CHEMBL227250,9.59
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)(C)O)c1Cl,CHEMBL227249,9.15
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)O)c1Cl,CHEMBL227248,9.4
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl,CHEMBL376790,9.74
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCO)c1Cl,CHEMBL227197,9.62
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCC(O)CC2)c1Cl,CHEMBL227196,8.66
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCCC2)c1Cl,CHEMBL227195,9.28
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOCC2)c1Cl,CHEMBL375264,8.85
+CCN(CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227146,9.49
+CCN(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL375263,9.66
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl,CHEMBL227145,8.85
+CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227223,9.4
+CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227222,9.68
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN)c1Cl,CHEMBL388142,9.0
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl,CHEMBL227221,9.8
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl,CHEMBL227172,9.37
+CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1,CHEMBL227171,9.44
+CCNC(=O)N(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL226931,10.7
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(COCC(O)CO)c1Cl,CHEMBL241920,8.24
+CC1(C)OCC(COCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)O1,CHEMBL244049,7.7
+COCCOCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244048,8.0
+COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL396261,7.92
+CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244047,8.57
+CS(=O)(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL396260,8.68
+CS(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL243841,9.4
+CSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL243840,9.1
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2ncnn2)c1Cl,CHEMBL396805,8.7
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2cnnn2)c1Cl,CHEMBL437187,8.77
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2nccn2)c1Cl,CHEMBL242765,8.46
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2ccnn2)c1Cl,CHEMBL396210,8.85
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2cncn2)c1Cl,CHEMBL242122,8.8
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2cccn2)c1Cl,CHEMBL242121,8.68
+CN1CCC(N(C)Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL242328,9.42
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CNCCCn2ccnc2)c1Cl,CHEMBL429098,8.34
+CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL242327,9.52
+CN(C)CCCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244046,9.22
+CCN(CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL428218,9.28
+CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL390690,9.35
+CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL395777,8.82
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CNCCOCCO)c1Cl,CHEMBL243184,8.47
+CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)CC(O)CO,CHEMBL243182,8.85
+CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL396782,9.1
+CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL243612,8.28
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CN2CCSCC2)c1Cl,CHEMBL242957,8.32
+CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL242743,8.22
+CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1,CHEMBL242742,8.8
+CCCN1CC2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)C2C1,CHEMBL242525,8.66
+CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC,CHEMBL441319,8.12
+Cc1c(CN2CCN(C)CC2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL436818,8.0
+Cc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CCN(C)CC1,CHEMBL428920,7.92
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(Cn2ccnc2)cc1Cl,CHEMBL395754,8.14
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(Cn2ccnc2)c1Cl,CHEMBL242091,8.72
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(CN2CCOCC2)cc1Cl,CHEMBL241874,7.47
+O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(CN2CCOCC2)c1Cl,CHEMBL245100,8.21
+CN1CCN(Cc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)s2)CC1,CHEMBL395729,8.25
+Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)s1,CHEMBL245098,7.62
+Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl,CHEMBL244880,7.74
+O=C(O)CN1CCN(Cc2ccc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cc4)sc3c2)CC1,CHEMBL395728,8.02
+CN1CCN(Cc2ccc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cc4)sc3c2)CC1,CHEMBL244879,7.68
+CN1CCN(Cc2c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc3ccccc23)CC1,CHEMBL244665,7.7
+CN(C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1,CHEMBL244664,7.85
+CN(C)Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)sc2ccccc12,CHEMBL397661,8.05
+Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1,CHEMBL244461,9.02
+Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)sc2ccccc12,CHEMBL244247,9.09
+CC(C)(CNC(=O)c1ccc2c(Cl)c[nH]c2c1)NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL231751,8.32
+O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232566,8.82
+CC(CNC(=O)c1ccc2c(Cl)c[nH]c2c1)NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL231961,8.41
+CC(C)(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc2c(Cl)c[nH]c2c1,CHEMBL393815,8.89
+CC(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc2c(Cl)c[nH]c2c1,CHEMBL231750,8.0
+O=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL231749,7.89
+CC(C)(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL393814,8.6
+CC(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL231748,8.68
+CC(C)(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1,CHEMBL234812,8.49
+CC(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1,CHEMBL393421,8.77
+O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233993,7.06
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233992,9.37
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL398380,9.17
+O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233806,7.64
+O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL391527,8.14
+O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL231787,8.43
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233994,9.075
+CS(=O)(=O)c1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL391927,5.07
+COc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL232923,5.13
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL232922,6.22
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(-n2ccccc2=O)cc1,CHEMBL393986,6.44
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1F)c1ccc(-n2ccccc2=O)cc1,CHEMBL232921,6.89
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232722,6.36
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(F)c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232721,6.65
+COc1cc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-n3ccccc3=O)cc2)ccc1Cl,CHEMBL393813,6.05
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-n3ccccc3=O)cc2)ccc1Cl,CHEMBL232720,6.86
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccccc1Cl)c1ccc(-n2ccccc2=O)cc1,CHEMBL232530,5.58
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232529,5.93
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL393973,6.91
+COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1,CHEMBL232528,6.77
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-n3ccccc3=O)cc2)s1,CHEMBL232325,8.1
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cnc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232324,5.91
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1,CHEMBL393972,7.44
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232323,7.57
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232109,6.54
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2ccc(Cl)cc2s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232108,7.47
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(-n2ccccc2=O)cc1,CHEMBL231905,6.58
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-n2ccccc2=O)cc1,CHEMBL392995,7.13
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233131,7.85
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233542,8.74
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233541,7.43
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL233332,7.7
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cc2ccc(Cl)cc2s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL430164,7.8
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1,CHEMBL233543,8.96
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1,CHEMBL234171,6.97
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCCCC2=O)cc1,CHEMBL439054,7.77
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCC2=O)cc1,CHEMBL428899,8.09
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCNC2=O)cc1,CHEMBL233964,8.4
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCOC2=O)cc1,CHEMBL233963,8.3
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCOCC2=O)cc1,CHEMBL400816,8.38
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCCC2=O)cc1,CHEMBL233755,8.59
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCCC2=O)cc1,CHEMBL427842,8.59
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1,CHEMBL399593,8.82
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccncc2=O)cc1,CHEMBL233754,9.03
+CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1,CHEMBL234172,8.15
+O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc(Cl)s1,CHEMBL393521,8.33
+O=C(N[C@@H]1CCC[C@@H]1NCc1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1,CHEMBL233173,8.38
+O=C(N[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1,CHEMBL410550,4.94
+O=C(N[C@H]1CCC[C@H]1NCc1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL232969,7.09
+O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL440969,8.0
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,CHEMBL231779,10.1
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(C2(CN3CCCC3)CC2)cc1,CHEMBL234590,9.02
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(C2(CN3CCCC3)CC2)cc1,CHEMBL450578,9.29
+O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(C2(CN3CCCC3)CC2)cc1,CHEMBL400227,9.36
+O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(C2(CN3CCCC3)CC2)cc1,CHEMBL427952,8.62
+CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(Cl)s2)cc1,CHEMBL400226,8.36
+CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCC[C@H]2NC(=O)c2ccc(Cl)s2)cc1,CHEMBL398998,8.55
+CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1,CHEMBL398795,8.64
+O=C(N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL400005,6.03
+O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc2c(Cl)c[nH]c2c1,CHEMBL401024,9.15
+O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL231940,8.89
+O=C(N[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL231726,7.89
+O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL400017,9.57
+O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL236643,9.0
+O=C(N[C@@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL236642,4.96
+O=C(N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL400016,8.1
+O=C(N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL236440,7.57
+O=C(N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL398776,9.08
+O=C(N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL236439,6.64
+O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL236228,9.68
+COCCNC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL445941,8.54
+O=C(N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL538905,8.8
+O=C(N[C@H]1C[C@H](C(=O)NC2CC2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL401444,8.8
+CN(C)C(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL237286,8.68
+O=C(N[C@H]1C[C@H](C(=O)O)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL401235,8.72
+O=C(N[C@H]1C[C@H](CO)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL237065,9.25
+COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL237064,9.28
+CN(C)C(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL236021,9.25
+CNC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL392508,8.96
+O=C(N[C@H]1CN(C(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL442079,8.77
+CC(C)S(=O)(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL235594,8.77
+CCS(=O)(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL392297,9.19
+CS(=O)(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL235593,9.36
+COCCOC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL235369,9.03
+COC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL393533,9.13
+COCC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL235367,9.44
+O=C(N[C@H]1CN(C(=O)c2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL235150,8.66
+O=C(N[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL235148,8.68
+CC(C)(C)C(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL238356,8.77
+CC(C)C(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL391635,8.89
+CCC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL238354,8.7
+CCOC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)C1,CHEMBL238148,8.55
+CC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)C1,CHEMBL237924,8.41
+CC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL394129,9.24
+O=C(N[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL392006,6.79
+O=C(N[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL392005,8.35
+O=C(N[C@H]1CNC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL237923,7.74
+O=C(N[C@H]1CNC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL237922,8.02
+O=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1,CHEMBL237707,8.59
+O=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,CHEMBL237705,8.59
+COC(=O)C1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)C1,CHEMBL430367,8.52
+COC(=O)C1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL399418,9.41
+COc1ccc(-n2nc(Cn3ncnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395373,8.96
+COc1ccc(-n2nc(Cn3cncn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395371,9.6
+COc1ccc(-n2nc(Cn3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395372,9.07
+COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL237441,8.12
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL237242,8.41
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL264106,9.6
+COc1ccc(-n2nc(NC(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL238301,8.02
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL393393,9.48
+COc1ccc(-n2nc(C(=O)N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235492,8.77
+CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL235268,8.32
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235265,10.15
+COc1ccc(-n2nc(N(C)C(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL391787,8.7
+COc1ccc(-n2nc(N)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL236752,8.17
+COc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL395142,9.32
+COc1ccc(-n2nc(Cn3ccnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL439214,9.17
+COc1ccc(-n2nc(-c3nn[nH]n3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL396088,9.2
+COc1ccc(-n2nc(-n3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL396087,8.64
+COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,CHEMBL235064,9.51
+CNc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O,CHEMBL399822,8.77
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN(CCO)CCO)cc2)CC3)cc1,CHEMBL237420,9.44
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2)CC3)cc1,CHEMBL237419,9.54
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCCC4)cc2)CC3)cc1,CHEMBL443578,9.52
+CCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1,CHEMBL237228,10.1
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1,CHEMBL391484,9.62
+CNCc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1,CHEMBL237226,9.835
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN)cc2)CC3)cc1,CHEMBL279187,9.01
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1,CHEMBL235907,9.33
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,CHEMBL392526,9.64
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1,CHEMBL235906,8.68
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C)cc2)CC3)cc1,CHEMBL235905,8.21
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1,CHEMBL235694,9.3
+CNc1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1,CHEMBL391876,6.21
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(NC(C)=O)cc2)CC3)cc1,CHEMBL428199,6.72
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N)cc2)CC3)cc1,CHEMBL393727,5.8
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1,CHEMBL235710,9.27
+CCN(C)Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1,CHEMBL246945,9.15
+CNCc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1,CHEMBL397124,9.17
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4CN4CCC[C@H]4O)CC3)cc12,CHEMBL395823,9.14
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4CN4CCCC4)CC3)cc12,CHEMBL246738,9.21
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2)cc1,CHEMBL395196,7.85
+CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1=O,CHEMBL246737,7.04
+CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1,CHEMBL428749,8.77
+CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)CC1,CHEMBL395195,8.31
+CS(=O)(=O)c1ccccc1[C@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)CC1,CHEMBL396123,5.7
+CS(=O)(=O)c1ccccc1[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)CC1,CHEMBL246323,8.24
+CS(=O)(=O)c1ccccc1C1=CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)CC1,CHEMBL396122,8.52
+CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CN)CC1,CHEMBL246946,8.62
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCOCC3)CC2)cc1,CHEMBL397310,8.18
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCCC3)CC2)cc1,CHEMBL395366,7.54
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN(C)C)CC2)cc1,CHEMBL246948,8.06
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(N)(=O)=O)CC2)CC3)cc1,CHEMBL397298,8.41
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)S(C)(=O)=O)CC2)CC3)cc1,CHEMBL246742,7.09
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)C(C)=O)CC2)CC3)cc1,CHEMBL394039,7.64
+CCN(CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1,CHEMBL247756,9.59
+CNCc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1,CHEMBL396640,9.0
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCC[C@@H]4O)CC2)CC3)cc1,CHEMBL247561,9.06
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCOCC4)CC2)CC3)cc1,CHEMBL397049,9.24
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCCC4)CC2)CC3)cc1,CHEMBL247192,9.59
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)C)CC2)CC3)cc1,CHEMBL247191,9.39
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1,CHEMBL392460,9.46
+C/C(=C\S(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)c1ccc(Cl)s1,CHEMBL391640,8.7
+C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O,CHEMBL391737,6.81
+NC(=O)c1cc(C(=O)N2CCc3cc(-n4ccccc4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1,CHEMBL399345,9.7
+NC(=O)c1cc(C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1,CHEMBL250560,8.62
+CN(Cc1nccn1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1)S(C)(=O)=O,CHEMBL398979,8.16
+CC(=O)N(C)Cc1nccn1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,CHEMBL251350,8.32
+CN(C)Cc1nccn1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,CHEMBL251158,8.66
+NC(=O)c1cc(C(=O)N2CCc3ccc(N4CCCCCC4=O)cc32)n(-c2ccc3onc(N)c3c2)n1,CHEMBL398444,5.96
+NC(=O)c1cc(C(=O)N2CCc3cc(N4CCCCCC4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1,CHEMBL250960,7.82
+CN(C)CC(=O)N(C)c1ccc2c(c1)N(C(=O)c1cc(C(N)=O)nn1-c1ccc3onc(N)c3c1)CC2,CHEMBL398528,6.46
+CN(C)CC(=O)N(C)c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,CHEMBL399722,8.17
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)N(C(=O)c1cc(C(N)=O)nn1-c1ccc3onc(N)c3c1)CC2,CHEMBL250350,5.85
+NC(=O)c1cc(C(=O)N2CCc3cc(-c4ccccc4CN4CCCC4)ccc32)n(-c2ccc3onc(N)c3c2)n1,CHEMBL399332,9.2
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5CN5CCCC5)ccc43)cc12,CHEMBL399331,8.31
+CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,CHEMBL250349,9.0
+CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL248725,7.72
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,CHEMBL248724,9.09
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCCCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12,CHEMBL399330,5.47
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL250985,7.15
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL398518,5.85
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL398517,6.3
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL398516,5.7
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12,CHEMBL399956,8.57
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,CHEMBL251762,8.82
+CN1CCC(C2CCN(C(=O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)CC1,CHEMBL251409,8.4
+Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12,CHEMBL402927,6.65
+NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3F)ccc12,CHEMBL254831,8.19
+Nc1noc2ccc(-n3nc(C(F)(F)F)c4ccc(-c5ccc(N6CCCCC6=O)cc5F)c(F)c43)cc12,CHEMBL254621,7.64
+Cc1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3F)ccc12,CHEMBL254620,7.59
+Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12,CHEMBL254411,5.16
+Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3)ccc12,CHEMBL400734,6.91
+CN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL400504,8.39
+CN(C)Cc1ncccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL255053,8.36
+CN(C)Cc1cnccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL255052,8.52
+CN(C)Cc1ccccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL252341,8.09
+CN(C)CCCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL223042,8.28
+CN(C)CCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL251939,8.31
+CN(C)CCN(c1cccnc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL251938,6.64
+CN(C)CCN(c1ccccc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL401151,6.16
+CN(C)Cc1ccncc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL400306,6.83
+CN(C)Cc1cccnc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL252540,5.65
+CN(C)Cc1[nH]ncc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL399163,8.85
+CN(C)Cc1nccn1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,CHEMBL398870,7.8
+COc1ccc(-n2nc(C(N)=O)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1,CHEMBL403042,9.96
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1,CHEMBL252853,10.05
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(N3CCCCC3=O)cc2)cc1,CHEMBL252651,9.0
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3CN3CC[C@H](O)C3)cc2)cc1,CHEMBL402167,8.48
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1,CHEMBL252650,8.16
+COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1,CHEMBL252649,7.92
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-n4ccccc4=O)cc3F)cc12,CHEMBL252454,10.48
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(N4CCCCC4=O)cc3)cc12,CHEMBL402166,9.47
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4CN4CCCC4)cc3)cc12,CHEMBL252453,9.49
+CN(C)Cc1ccccc1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL253926,9.24
+CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL442292,9.01
+CC(C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1F,CHEMBL253713,8.64
+CC(C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1F,CHEMBL269191,8.55
+CC(C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL404286,7.66
+CC(C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1,CHEMBL253298,8.33
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,CHEMBL253297,9.8
+CS(=O)(=O)c1ccccc1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL403196,10.15
+Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12,CHEMBL404061,9.28
+CS(=O)(=O)c1ccccc1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL253094,9.17
+CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)C1CC(C(F)(F)F)=NN1c1ccc2onc(N)c2c1,CHEMBL253093,8.82
+CC(C)Oc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL402384,6.74
+CN(c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O,CHEMBL254746,8.04
+O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-c2ccccc2C(F)(F)F)cn1,CHEMBL254745,8.22
+CN(C)C(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL254544,7.93
+N#Cc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL402383,8.74
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL254543,9.4
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1,CHEMBL403453,8.21
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1,CHEMBL430028,8.96
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1,CHEMBL254141,8.7
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1,CHEMBL439418,10.0
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL253942,9.7
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccccc2)cn1,CHEMBL442293,7.1
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccccc2)cc1F,CHEMBL404708,6.67
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccoc2)cc1F,CHEMBL253732,7.13
+Cn1cnc(-c2ccc(N3CCC(NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)c(F)c2)c1,CHEMBL404707,7.81
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2cccnc2)cc1F,CHEMBL401782,8.2
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-n2ccnc2)cc1F,CHEMBL402077,8.36
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-n2cccn2)cc1F,CHEMBL404219,8.57
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccncc2)cc1F,CHEMBL254124,8.05
+N#Cc1ncccc1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL254123,9.15
+Cn1ccnc1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL404218,8.96
+CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL254338,7.85
+CC(C)(C)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1,CHEMBL254947,5.63
+Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)ccn1,CHEMBL261646,7.82
+C/C(=C\S(=O)(=O)NC1CCN(c2ccc(-n3ccnc3CN(C)C)cc2F)C1=O)c1ccc(Cl)s1,CHEMBL257741,9.7
+CN(C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL270430,8.3
+O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCC(F)C2)cc1F,CHEMBL270431,7.79
+CCN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL272779,9.4
+CC(C)N(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL437097,9.22
+O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCCC2)cc1F,CHEMBL257863,9.4
+O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCOCC2)cc1F,CHEMBL257862,8.92
+C/C(=C\S(=O)(=O)NC1CCN(c2ccc(-n3ccc(CN(C)C)n3)cc2F)C1=O)c1ccc(Cl)s1,CHEMBL408933,7.83
+CN(C)Cc1ccn(-c2ccc(N3CCC(NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)n1,CHEMBL270442,6.9
+CN(C)Cc1cn(-c2ccc(N3CCC(NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)cn1,CHEMBL271711,7.83
+C/C(=C\S(=O)(=O)NC1CCN(c2ccc(-n3cnc(CN(C)C)c3)cc2F)C1=O)c1ccc(Cl)s1,CHEMBL271088,7.53
+CN(C)Cc1nocc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL271015,9.3
+CN(C)Cc1ccnn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1,CHEMBL404758,6.05
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4[nH]cc(Cl)c4c3)C2=O)c(F)c1,CHEMBL270592,8.23
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1,CHEMBL277959,8.35
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1,CHEMBL403111,9.1
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL271659,9.22
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ncc(-c4ccc(Cl)s4)s3)C2=O)c(F)c1,CHEMBL270178,8.64
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL404346,8.51
+CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL271671,9.7
+N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1,CHEMBL414002,10.85
+COC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1,CHEMBL258274,10.37
+COc1ccc(OC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1,CHEMBL256458,6.7
+O=C(O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1,CHEMBL442457,9.89
+NC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1,CHEMBL256820,10.0
+O=C1C(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)CCCN1c1ccc(-n2ccccc2=O)cc1,CHEMBL269955,10.3
+CNC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1,CHEMBL270034,10.43
+CN(C)CCN(C)C(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1,CHEMBL270221,10.89
+O=C1C(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)CCCN1c1ccc(-n2ccccc2=O)cc1F,CHEMBL270862,10.7
+CN(C)CCN(C)C(=O)CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL401958,10.8
+CN(C)CCN(C)C(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL256451,10.7
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F,CHEMBL271904,9.96
+CN(C)CCN(C)C(=O)CN(C1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL270565,8.77
+O=C1CCCCN1c1ccc(N2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL257037,8.0
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(N2CCCCC2)cc1F,CHEMBL429741,7.8
+O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-c2ccncc2)cc1F,CHEMBL403291,7.55
+COC(=O)CN(C1CCCN(c2ccc(-n3ccnc3C[N+](C)(C)CC(=O)OC)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL401788,9.68
+COC(=O)C[N+](C)(C)Cc1nccn1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL404119,9.46
+CN(C)Cc1nccn1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL272349,8.62
+CN1CCN(C(=O)N(C2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1,CHEMBL272136,9.15
+CN1CCC(N(C)C(=O)N(C2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1,CHEMBL402828,9.37
+CN(CCO)C(=O)N(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL257854,8.57
+CCN(CC)CCN(C)C(=O)N(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL270829,8.96
+CN(C)CCN(C)C(=O)N(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL256628,9.08
+CN(C)CCNC(=O)N(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL270255,8.66
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N(CCCO)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL256890,8.64
+COC(=O)CN(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1,CHEMBL408044,9.06
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N(CC(=O)O)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL271427,9.0
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc4ncccc4c3)C2=O)c(F)c1,CHEMBL257451,7.14
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cnc4ccccc4c3)C2=O)c(F)c1,CHEMBL257453,7.55
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc4c[nH]nc4c3)C2=O)c(F)c1,CHEMBL429758,7.72
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1,CHEMBL272115,7.59
+Cc1c(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)sc2ccc(Cl)cc12,CHEMBL442804,6.8
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL402064,8.28
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc4onc(N)c4c3)C2=O)c(F)c1,CHEMBL255799,7.72
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccc4ccc(Cl)cc34)C2=O)c(F)c1,CHEMBL402237,7.74
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)c(F)c1,CHEMBL403106,8.66
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)c(F)c1,CHEMBL271080,5.49
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(N)nc3)C2=O)c(F)c1,CHEMBL409678,6.59
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccnc3)C2=O)c(F)c1,CHEMBL271851,5.59
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1,CHEMBL402892,6.14
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cc(Cl)ccc3Cl)C2=O)c(F)c1,CHEMBL402730,6.19
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2=O)c(F)c1,CHEMBL402321,7.21
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(F)c(F)c3)C2=O)c(F)c1,CHEMBL272116,6.57
+COc1cccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)c1,CHEMBL257240,7.0
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccc(Cl)c3)C2=O)c(F)c1,CHEMBL257242,6.42
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(C#N)cc3)C2=O)c(F)c1,CHEMBL257241,6.38
+CCc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1,CHEMBL272737,7.11
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c(F)c1,CHEMBL272736,7.64
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(F)cc3)C2=O)c(F)c1,CHEMBL272959,7.35
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1,CHEMBL257319,6.43
+COc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1,CHEMBL272772,7.28
+COc1ccc(C(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1,CHEMBL272977,6.25
+COc1ccc(NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1,CHEMBL272976,6.35
+O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3nc(CO)cn23)CC1,CHEMBL259603,8.1
+O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL259534,9.85
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)nc1,CHEMBL260369,9.62
+CN(C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(N2CCCCC2=O)cc1,CHEMBL261536,10.19
+O=C(Nc1c(O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1,CHEMBL260086,10.33
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(N2CCCCC2=O)cc1,CHEMBL260085,10.24
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL404448,9.72
+O=C(Nc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1,CHEMBL256152,9.85
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1,CHEMBL404449,9.48
+N#Cc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL403075,9.35
+CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL428432,8.7
+COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL402980,10.89
+COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL257399,9.85
+Cc1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL257398,10.55
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL257400,10.22
+N#Cc1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL258188,8.66
+CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL258196,9.92
+O=C(Nc1ccc(Cl)cn1)c1ccccc1NS(=O)(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL404745,5.12
+O=C(Nc1ccc(Cl)cn1)c1ccccc1NCc1ccc(-n2ccccc2=O)cc1,CHEMBL256573,8.96
+O=C(Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL402761,8.26
+CC(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccc(-n2ccccc2=O)cc1,CHEMBL256574,7.23
+O=C(Nc1ccccc1CNc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL402836,9.21
+O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccc(-n2ccccc2=O)cc1,CHEMBL257967,8.38
+O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1,CHEMBL257966,9.68
+O=C(Nc1ccccc1C(=O)Nc1ncc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL1162978,8.89
+O=C(Nc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL259533,5.81
+Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)nc1,CHEMBL259535,9.24
+O=C(Nc1ccccc1C(=O)Nc1ccc(F)cn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL411044,9.0
+O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1ccc(-n2ccccc2=O)cc1,CHEMBL260911,7.37
+O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc(-n2ccccc2=O)cc1,CHEMBL260912,8.52
+O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1,CHEMBL260354,8.92
+COC(=O)C1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL452793,8.77
+CCNC(=O)N(C)CC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL517711,9.85
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)S(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL471734,10.13
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C(C)=O)CC4)cc2)CC3)cc1,CHEMBL511486,10.26
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1,CHEMBL471550,10.6
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNc5nccs5)CC4)cc2)CC3)cc1,CHEMBL513062,10.27
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCC(O)CC5)CC4)cc2)CC3)cc1,CHEMBL479925,9.85
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL471565,10.19
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CC[C@@H](O)C5)CC4)cc2)CC3)cc1,CHEMBL508428,10.42
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1,CHEMBL461091,10.68
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC5CCCC5)CC4)cc2)CC3)cc1,CHEMBL461090,9.92
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC(C)C)CC4)cc2)CC3)cc1,CHEMBL518648,10.38
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1,CHEMBL461297,10.46
+CNCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL460884,9.74
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN)CC4)cc2)CC3)cc1,CHEMBL517263,9.24
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)Nc5nn[nH]n5)CC4)cc2)CC3)cc1,CHEMBL460681,8.52
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)Nc5nncs5)CC4)cc2)CC3)cc1,CHEMBL460056,8.74
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)N5CCC(O)CC5)CC4)cc2)CC3)cc1,CHEMBL460055,7.27
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)N5CCCC5)CC4)cc2)CC3)cc1,CHEMBL459854,6.77
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)NC5CCCC5)CC4)cc2)CC3)cc1,CHEMBL510344,7.52
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)N(C)C)CC4)cc2)CC3)cc1,CHEMBL452802,8.24
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC3)cc1,CHEMBL507737,8.48
+COCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL452535,8.8
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CO)CC4)cc2)CC3)cc1,CHEMBL511082,8.62
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C#N)CC4)cc2)CC3)cc1,CHEMBL508927,8.74
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CNC(C)C)cc2)CC3)cc1,CHEMBL459430,8.85
+CNCc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1,CHEMBL459849,9.55
+O=C(Nc1cccc(OCc2ccc(-c3ccccc3)cc2)c1)C1CCCNC1,CHEMBL523099,5.6
+N=C(N)N1CCCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1,CHEMBL490892,4.24
+N=C(N)N1CCCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C1,CHEMBL491283,5.7
+O=C(Nc1cccc(OCc2ccc(-c3ccccc3)cc2)c1)C1CCNCC1,CHEMBL491672,6.0
+N=C(N)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1,CHEMBL521570,4.47
+N=C(N)N1CCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1,CHEMBL489110,5.28
+O=C(Nc1cccc(OCc2ccc(-c3ccc(F)cc3)cc2)c1)C1CCNCC1,CHEMBL490297,5.41
+O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3)cc2)c1)C1CCNCC1,CHEMBL490298,6.75
+O=C(Nc1cccc(OCc2ccc(-c3ccccc3F)cc2)c1)C1CCNCC1,CHEMBL524125,6.12
+O=C(Nc1cccc(OCc2ccc(-c3ccc(F)cc3F)cc2)c1)C1CCNCC1,CHEMBL490491,6.29
+O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3F)cc2)c1)C1CCNCC1,CHEMBL489694,6.26
+O=C(Nc1cccc(OCc2ccc(-c3cc(F)ccc3F)cc2)c1)C1CCNCC1,CHEMBL508759,5.9
+O=C(Nc1cccc(OCc2ccc(-c3c(F)cccc3F)cc2)c1)C1CCNCC1,CHEMBL455203,5.84
+O=C(Nc1cccc(OCc2ccc(-c3cc(F)cc(F)c3)cc2)c1)C1CCNCC1,CHEMBL453387,6.89
+O=C(Nc1cccc(OCc2ccc(-c3c(F)cc(F)cc3F)cc2)c1)C1CCNCC1,CHEMBL453359,5.02
+O=C(Nc1cccc(OCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1)C1CCNCC1,CHEMBL508488,6.18
+O=C(Nc1cccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1)C1CCNCC1,CHEMBL454373,7.24
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL221906,10.36
+COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL512351,9.925
+CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1,CHEMBL472967,10.22
+COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1,CHEMBL515919,9.98
+CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(NCC(=O)O)c1,CHEMBL455933,8.24
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(NC(=O)C(=O)O)c1,CHEMBL459136,8.01
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(NCC(=O)O)c1,CHEMBL457633,7.21
+CCOC(=O)COc1cc(C(C)C)ccc1CCNS(=O)(=O)c1cc(C(=N)NO)ccc1O,CHEMBL457632,5.46
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(OCC(=O)O)c1,CHEMBL458067,7.29
+CCOC(=O)CN(CCc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C(=N)NO)ccc1O,CHEMBL455919,5.43
+CC(C)c1ccc(CCN(CC(=O)O)S(=O)(=O)c2cc(C(=N)NO)ccc2O)cc1,CHEMBL509493,5.15
+CC(C)c1ccc(CCN(CC(=O)O)S(=O)(=O)c2cc(C(=N)N)ccc2O)cc1,CHEMBL455916,7.85
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)NO)ccc2O)cc1,CHEMBL455915,5.14
+CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(C(=N)N)ccc2O)cc1,CHEMBL455914,7.23
+COc1ccc(C(=N)N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1,CHEMBL457392,4.85
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2Cl)cc1,CHEMBL457391,5.52
+CC(C)c1ccc(CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1,CHEMBL513433,5.68
+CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)cc1,CHEMBL456763,7.57
+CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)cc1,CHEMBL513605,7.0
+CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)cc1,CHEMBL463581,7.54
+CC(=N)N1CCC(c2ccc(NC(=O)CN(Cc3cccc(OCC(=O)O)c3)c3cccc(C(=N)N)c3)cc2)CC1,CHEMBL463385,8.765
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)CC,CHEMBL498660,5.57
+CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL498339,5.74
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)O,CHEMBL524462,4.6
+CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL526453,6.8
+CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1)[C@@H](C)CC,CHEMBL523575,5.82
+CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL497307,6.48
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL527117,6.04
+C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506502,4.83
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(C(=O)O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506501,5.61
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506240,6.16
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL505986,5.5
+CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506769,5.24
+CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1,CHEMBL479863,8.55
+CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL511597,4.26
+CN1C(=O)C(OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)Nc3ccccc3)ccc21,CHEMBL461629,4.5
+CN1C(=O)C(OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)N(CC(=O)O)c3ccccc3)ccc21,CHEMBL461417,4.3
+CCOC(=O)CN(C(=O)c1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL461192,4.37
+CCOC(=O)C(C(=O)Nc1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1,CHEMBL461191,4.3
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)CCC(=O)O)ccc21,CHEMBL493094,4.47
+CCOC(=O)CCC(=O)Nc1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL494715,4.13
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)c3ccccc3)ccc21,CHEMBL494514,4.92
+CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL494513,4.53
+COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL459524,4.45
+CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL459318,5.02
+CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL468464,4.93
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL512630,4.56
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CCC(=O)O)ccc21,CHEMBL517269,4.53
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL513670,4.74
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccccc3)C(=O)C(=O)O)cc21,CHEMBL459941,4.495
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL461210,4.8
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21,CHEMBL460355,4.775
+CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL460143,4.92
+CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL517875,5.57
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468642,5.71
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)C(Cc3ccccc3)C(=O)O)ccc21,CHEMBL466530,4.48
+COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL466529,4.23
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CCC(=O)O)ccc21,CHEMBL511761,4.8
+CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468340,5.98
+COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(Cc1ccc(C(=N)N)cc1)C(=O)N2C,CHEMBL468812,5.24
+CN1C(=O)C(Cc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21,CHEMBL513003,5.03
+CNCC1(c2ccc(N3CCC4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)C4C3=O)cc2)CC1,CHEMBL512467,9.62
+CNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL468792,10.26
+CNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL516771,9.82
+COc1ccc(N2N=C(S(C)(=O)=O)C3CCN(c4ccc(C5(CN(C)C)CC5)cc4)C(=O)C32)cc1,CHEMBL461667,10.29
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1,CHEMBL460385,10.39
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1,CHEMBL518253,10.32
+COc1ccc(N2N=C(S(C)(=O)=O)C3CCN(c4ccc(C5(CN6CCCC6)CC5)cc4)C(=O)C32)cc1,CHEMBL453208,10.27
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1,CHEMBL451053,10.13
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1,CHEMBL446752,10.57
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL504703,10.1
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL456676,10.38
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL456677,10.03
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1,CHEMBL445335,10.14
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1,CHEMBL456034,9.62
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1,CHEMBL510030,9.96
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N)CC4)cc2)CC3)cc1,CHEMBL515847,9.11
+CNC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL518401,9.8
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1,CHEMBL468782,10.07
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)CCO)CC4)cc2)CC3)cc1,CHEMBL468783,9.92
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)CC(N)=O)CC4)cc2)CC3)cc1,CHEMBL512288,9.85
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(NC(C)=O)CC4)cc2)CC3)cc1,CHEMBL517714,8.29
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(NS(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL462084,8.52
+COC(=O)NC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL517748,7.96
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)C(C)=O)CC4)cc2)CC3)cc1,CHEMBL462293,8.82
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)S(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL463521,8.54
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCC5=O)CC4)cc2)CC3)cc1,CHEMBL465794,8.12
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCCC5=O)CC4)cc2)CC3)cc1,CHEMBL516512,7.7
+CNCCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL462710,9.26
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CCN(C)C)CC4)cc2)CC3)cc1,CHEMBL456064,10.7
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CCN5CCCC5)CC4)cc2)CC3)cc1,CHEMBL540198,10.7
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL465584,9.68
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5)CC4)cc2)CC3)cc1,CHEMBL456498,10.68
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5C)CC4)cc2)CC3)cc1,CHEMBL516297,9.8
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5S(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL456931,8.31
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCO5)CC4)cc2)CC3)cc1,CHEMBL456932,8.6
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NC(C)(C)CO5)CC4)cc2)CC3)cc1,CHEMBL459102,8.96
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5ncc[nH]5)CC4)cc2)CC3)cc1,CHEMBL515066,8.96
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5nccn5C)CC4)cc2)CC3)cc1,CHEMBL458426,8.19
+CNC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL464555,10.19
+CNC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1,CHEMBL514567,9.51
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1,CHEMBL518473,10.37
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1,CHEMBL461453,10.08
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL461454,9.85
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1,CHEMBL461668,9.13
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(C5=NCCO5)CC4)cc2)CC3)cc1,CHEMBL513954,9.25
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1,CHEMBL515383,9.0
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1,CHEMBL459286,9.74
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL457549,9.49
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL457774,10.15
+COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1,CHEMBL512287,9.54
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC(N)=O)CC4)cc2)CC3)cc1,CHEMBL467576,9.23
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CC(N)=O)CC4)cc2)CC3)cc1,CHEMBL464756,9.44
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N(C)CCO)CC4)cc2)CC3)cc1,CHEMBL465499,10.17
+O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,CHEMBL488110,6.16
+O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,CHEMBL509562,6.35
+O=C(OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL510512,6.36
+O=C1OC[C@H]2OC(O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,CHEMBL506204,6.0
+O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL382408,6.24
+Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,CHEMBL487105,8.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468270,5.36
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL512118,5.1
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461870,4.95
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCO)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513339,4.21
+CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461440,4.7
+CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461441,4.85
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461655,5.27
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513818,6.15
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL466588,5.25
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL516786,6.04
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460378,6.44
+CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL518179,6.18
+CC(C)Oc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL499200,5.47
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC,CHEMBL453766,6.38
+CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460810,6.2
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468894,5.8
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccnc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468895,5.46
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL499274,6.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461016,6.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL469090,8.0
+Cc1nccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)n1,CHEMBL513007,5.77
+NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL459525,4.04
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(CN)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL466585,4.26
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(=O)O)CC2)c1,CHEMBL495143,4.74
+COC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL498875,5.21
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL444411,5.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1,CHEMBL492342,5.09
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1,CHEMBL507322,4.72
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(N)=O)CC2)c1,CHEMBL493116,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL445195,5.47
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC(C(N)=O)C2)c1,CHEMBL493936,4.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCCC2)c1,CHEMBL493117,5.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCNCC2)c1,CHEMBL493118,5.68
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL493520,5.36
+CNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL443990,4.36
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL523865,4.59
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,CHEMBL506479,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,CHEMBL494128,4.96
+CC1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL493140,4.77
+COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492333,7.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@H]2C(=O)O)c1,CHEMBL495010,4.52
+O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)cc1,CHEMBL560319,6.35
+CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)CC1,CHEMBL551862,6.79
+O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL561983,6.95
+O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)s1,CHEMBL549979,7.0
+CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)s4)n3)CC2)CC1,CHEMBL562180,7.49
+O=C(Cc1csc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL563493,7.74
+CN1CCC(N2CCN(C(=O)Cn3ccc(NC(=O)c4ccc(Cl)s4)n3)CC2)CC1,CHEMBL550585,7.13
+O=C(Cn1ccc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL550586,8.22
+CN1CCC(N2CCN(C(=O)Cn3cnc(NC(=O)c4ccc(Cl)s4)n3)CC2)CC1,CHEMBL562980,6.76
+O=C(Cn1cnc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL564248,8.22
+O=C(Cn1nnc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL563960,7.96
+O=C(CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL557915,8.1
+O=C(CN1CC[C@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL552115,5.9
+O=C(CN1C[C@H](O)[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL561318,8.0
+CO[C@H]1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1NC(=O)c1ccc(Cl)s1,CHEMBL551393,8.52
+CCO[C@H]1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1NC(=O)c1ccc(Cl)s1,CHEMBL556098,8.0
+O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OCC(F)F)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL558437,7.7
+O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OCCO)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL558637,7.66
+O=C(CN1C[C@H](CO)[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL558833,7.57
+CC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1NC(=O)c1ccc(Cl)s1,CHEMBL563201,7.85
+O=C(CN1CC(NC(=O)c2ccc(Cl)s2)C(C2CC2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL549696,7.37
+O=C(CN1C[C@H](F)[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL550453,7.51
+O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1CO)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL550102,7.02
+COC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL559033,7.03
+O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1CN1CCCC1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL550103,6.88
+O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C(=O)NCC1CC1)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL563458,7.03
+Cc1cc2cc(/N=C(/NC#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,CHEMBL551991,8.19
+Cc1cc2cc(N/C(=N\C(=O)c3ccc(C(=O)N(C)C)nc3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,CHEMBL570867,8.28
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL566340,4.4
+CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCNC(=N)N,CHEMBL569280,4.08
+Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,CHEMBL593461,9.3
+CN[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL605294,8.7
+CN[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL593829,8.4
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1,CHEMBL606812,8.7
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCC1,CHEMBL594539,8.7
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCC1,CHEMBL604887,9.1
+CC(C)N(C)C(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL594538,8.3
+CC(C)NC(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL593586,9.0
+CCNC(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL593585,8.7
+CCN(C)C(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL606699,9.1
+C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N(C)C,CHEMBL594598,8.7
+C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N(C)C,CHEMBL594313,8.7
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N(C)C,CHEMBL606135,9.1
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1)N(C)C,CHEMBL595707,8.3
+C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C,CHEMBL595477,9.0
+C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C,CHEMBL593584,8.7
+CC(c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C,CHEMBL593354,9.1
+CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL607085,8.82
+CNC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL594516,7.46
+NC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL594515,8.29
+CC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL594311,8.22
+C=C(C)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL594085,8.21
+CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL595475,9.7
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)CN)c2)c(F)c1,CHEMBL601216,8.05
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c(F)c1,CHEMBL591955,9.3
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3nnc(N)s3)c2)c(F)c1,CHEMBL592159,7.34
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3nnc(N)[nH]3)c2)c(F)c1,CHEMBL591726,7.82
+CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1,CHEMBL578474,8.66
+CN(C)Cc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1,CHEMBL592400,8.7
+CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1,CHEMBL592401,8.96
+O=C1c2c(c(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[nH]3)c2)CCN1c1ccc(-c2ccccc2CN2CC[C@@H](O)C2)cc1,CHEMBL577677,9.08
+O=C1c2c(c(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[nH]3)c2)CCN1c1ccc(-c2ccccc2CN2CCCC2)cc1,CHEMBL578098,9.4
+Cc1nn(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCCC3)cc1)C2=O,CHEMBL578906,8.09
+NC(=O)c1nn(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCCC3)cc1)C2=O,CHEMBL579107,9.6
+COC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL609911,4.86
+CN(C)CCNC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597553,5.47
+N=C(N)c1cc2c(OC(C(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL603670,6.82
+N=C(N)c1cc2c(OC(C(=O)NCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597554,6.02
+COc1ccccc1NC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597763,7.15
+COc1cccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c1,CHEMBL603671,6.54
+COc1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596948,7.28
+CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL604500,8.59
+CN(C)C(=O)c1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL599613,9.22
+N=C(N)c1cc2c(OC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c3ccccc3)cccc2s1,CHEMBL599614,9.3
+N=C(N)c1cc2c(OC(CN)c3ccccc3)cccc2s1,CHEMBL610516,5.35
+CC(=O)NCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL599615,5.89
+N=C(N)c1cc2c(OC(CNCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL599001,6.6
+N=C(N)c1cc2c(OC(CNC(=O)Oc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597370,6.25
+N=C(N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597570,6.02
+N=C(N)c1cc2c(OC(CO)c3ccccc3)cccc2s1,CHEMBL597571,5.76
+CNC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL599415,6.15
+CCNC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL606194,6.44
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL598400,5.74
+N=C(N)c1cc2c(OC(COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL605842,6.08
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3F)c3ccccc3)cccc2s1,CHEMBL606183,6.26
+N=C(N)c1cc2c(OC(COC(=O)Nc3cccc(F)c3)c3ccccc3)cccc2s1,CHEMBL597376,5.89
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3)c3ccccc3)cccc2s1,CHEMBL597579,5.77
+Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL604289,5.93
+COc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596764,6.1
+COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596968,6.22
+COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL604294,5.42
+CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL597143,6.06
+CN1CCN(Cc2ccc(NC(=O)OCC(Oc3cccc4sc(C(=N)N)cc34)c3ccccc3)cc2)CC1,CHEMBL597144,5.81
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cccc2s1,CHEMBL599394,6.08
+CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL598989,5.94
+CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597557,6.23
+CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597758,6.08
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1,CHEMBL597759,6.45
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3F)c3ccccc3)cccc2s1,CHEMBL598996,5.83
+N=C(N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1,CHEMBL605564,5.89
+Cc1noc(C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL598169,5.65
+Cc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL606177,5.69
+COCc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL601870,5.81
+CNCc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL601018,5.9
+Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL601019,5.55
+COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c1C,CHEMBL601231,5.89
+CNCc1c(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c(C)nn1C,CHEMBL602082,5.62
+Cc1nn(C)c(CNC(C)C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL604954,5.79
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1,CHEMBL602083,5.8
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cc(F)cc2s1,CHEMBL601241,5.67
+CN(C)Cc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL603242,5.87
+N=C(N)c1cc2c(O[C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)cccc2s1,CHEMBL597991,5.4
+N=C(N)c1cc2c(I)cccc2s1,CHEMBL60088,4.66
+N=C(N)c1cc2c(OCc3ccccc3)cccc2s1,CHEMBL598191,5.22
+N=C(N)c1cc2c(OCc3nc4ccccc4s3)cccc2s1,CHEMBL611376,5.59
+COc1ccc(-c2ccc3sc(C(=N)N)cc3c2)cc1OC,CHEMBL598384,4.92
+N=C(N)c1cc2cc(-c3ccc(OCc4ccccc4)cc3)ccc2s1,CHEMBL598385,5.43
+N=C(N)c1cc2cc(-c3cccc(OCc4ccccc4)c3)ccc2s1,CHEMBL598170,4.83
+CCOC(=O)COc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1,CHEMBL598383,6.22
+N=C(N)c1cc2cc(-c3cccc(OCc4cccc(F)c4)c3)ccc2s1,CHEMBL592411,5.21
+N=C(N)c1cc2cc(-c3cccc(OCc4ccc(F)cc4)c3)ccc2s1,CHEMBL598178,5.14
+N=C(N)c1cc2cc(-c3cccc(OCc4cccc(Cl)c4)c3)ccc2s1,CHEMBL597574,5.37
+N=C(N)c1cc2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)ccc2s1,CHEMBL597575,5.54
+COc1cccc(COc2cccc(-c3ccc4sc(C(=N)N)cc4c3)c2)c1,CHEMBL599627,5.37
+COc1ccc(COc2cccc(-c3ccc4sc(C(=N)N)cc4c3)c2)cc1,CHEMBL599628,4.88
+Cc1ccc(COc2cccc(-c3ccc4sc(C(=N)N)cc4c3)c2)cc1,CHEMBL609324,5.1
+N=C(N)c1cc2cc(-c3cccc(OCc4ccc(F)c(F)c4)c3)ccc2s1,CHEMBL596765,5.24
+N=C(N)c1cc2cc(-c3cccc(OCc4ccc(Cl)c(F)c4)c3)ccc2s1,CHEMBL596766,6.98
+N=C(N)c1cc2cc(-c3cccc(OCc4ccc(F)c(Cl)c4)c3)ccc2s1,CHEMBL596767,7.26
+N=C(N)c1cc2ccc(OCc3cccnc3)cc2s1,CHEMBL597887,5.47
+N=C(N)c1cc2ccc(OCc3cccs3)cc2s1,CHEMBL598157,5.94
+N=C(N)c1cc2cc(-c3cccc(OC(C(N)=O)c4ccc(F)cc4)c3)ccc2s1,CHEMBL598370,4.35
+COC(=O)C(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(F)cc1,CHEMBL597755,7.36
+N=C(N)c1cc2cc(-c3cccc(OC(C(=O)O)c4ccc(F)cc4)c3)ccc2s1,CHEMBL596739,6.04
+COC(=O)C(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1,CHEMBL603867,7.77
+COC(=O)CC(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1,CHEMBL596740,7.48
+COC(=O)CCC(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1,CHEMBL596949,7.43
+COC(=O)C(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1cccs1,CHEMBL596950,7.6
+Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1083499,5.48
+N#Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N,CHEMBL1084908,5.19
+O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1,CHEMBL1095032,8.74
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221534,7.82
+O=C(Nc1ccc(Cl)cc1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221535,6.92
+CC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221536,7.55
+CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221578,7.96
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221579,7.62
+COC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221580,7.66
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221581,8.0
+CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221626,7.77
+NS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221627,8.0
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221628,8.05
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221629,7.77
+CN(C)S(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221673,8.1
+CC(C)S(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221674,8.0
+CCOC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221675,7.27
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(C(=O)N2CCCC2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221724,7.15
+CCCOC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221725,7.33
+CCCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221726,7.74
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CC2CC2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221791,7.34
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CCF)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221792,7.68
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221793,7.47
+COCCN1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221794,7.36
+O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221849,7.96
+N#CCN1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221850,7.38
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221851,7.7
+CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221852,7.62
+O=C(Nc1ccc(Cl)cn1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221913,8.15
+O=C(Nc1ccc(Cl)cn1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221914,7.26
+CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221915,7.82
+COC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221916,7.57
+O=C(Nc1ccc(Cl)cn1)[C@H]1CN(CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1221967,8.1
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1221968,6.46
+COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1,CHEMBL1221417,6.33
+COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1Cl,CHEMBL1222018,6.09
+COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1F,CHEMBL1222019,6.72
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222020,4.76
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2F)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222128,6.89
+CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222129,4.78
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222130,7.21
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222222,5.9
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2N)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,CHEMBL1222223,6.38
+O=C(Nc1ccc(Cl)s1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F,CHEMBL1222224,7.44
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)C1,CHEMBL1222225,7.04
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2c(F)cc(-n3ccccc3=O)cc2F)C1,CHEMBL1222284,7.51
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ncccc3=O)cc2F)C1,CHEMBL1222285,5.75
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2F)C1,CHEMBL1222286,6.91
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1,CHEMBL1222287,7.85
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)nc1,CHEMBL1222342,7.38
+Cc1cccn(-c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)C[C@@H]3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O,CHEMBL1222343,7.82
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)c(F)c1,CHEMBL1222344,7.4
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)C1,CHEMBL1221488,6.7
+Cc1cc(-n2ccccc2=O)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1,CHEMBL1221489,7.66
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2F)C1,CHEMBL1221490,7.34
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cn2)C1,CHEMBL1221491,7.4
+CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)C1,CHEMBL1221537,7.62
+CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1,CHEMBL1270158,9.01
+COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5ccnc(N)c5c4)C3=O)cc2c1,CHEMBL315218,6.74
+Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O,CHEMBL85938,8.22
+O=C1[C@@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cc[nH]cc-2n1,CHEMBL8382,7.37
+CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL1271369,9.22
+CN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL1270651,10.0
+CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,CHEMBL1269025,9.25
+CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C(=N)N)c1,CHEMBL1270555,4.8
+N=C(N)c1cccc(C(=O)N[C@H](C(=O)NCC2CCC(CN)CC2)c2ccccc2)c1,CHEMBL1270652,5.96
+Nc1nccc2ccc(C(=O)N[C@@H](C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)cc12,CHEMBL1270752,7.0
+CS(=O)(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H](NC(=O)c2ccc3ccnc(N)c3c2)c2ccccc2)CC1,CHEMBL1270853,8.52
+CS(=O)(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)c(N)c2)c2ccccc2)CC1,CHEMBL1270952,8.7
+CN1CCC(C2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)c(N)c3)c3ccccc3)CC2)CC1,CHEMBL1269030,8.4
+CN1CCC(C2CCN(C(=O)[C@H](NC(=O)c3ccc4c(Cl)c[nH]c4c3)c3ccccc3)CC2)CC1,CHEMBL1271056,9.15
+Cc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCC(C4CCN(C)CC4)CC3)c3ccccc3)ccc12,CHEMBL1271161,9.05
+CN1CCC(N2CCN(C(=O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)CC1,CHEMBL1271162,8.34
+N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1,CHEMBL1182177,7.72
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc([C@@](C)(NCC(=O)O)C(=O)N3CCCC3)ccc21,CHEMBL1270156,7.59
+COC[C@@H]1ON=C(c2cccc(C(=N)N)c2)[C@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL1271368,9.26
+C/C(=N\NC(=N)N)c1cc(NC(=O)CCCNC(=N)N)cc(/C(C)=N/NC(=N)N)c1,CHEMBL1644915,4.8
+C/C(=N\NC(=N)N)c1cc(NS(=O)(=O)c2ccccc2)cc(/C(C)=N/NC(=N)N)c1,CHEMBL1644912,4.1
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc([C@@H]2CCCN2)cc1F,CHEMBL1614818,8.4
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc([C@H]2CCCN2)cc1F,CHEMBL1614819,8.7
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc([C@@H]2CCCN2)cc1F,CHEMBL1684193,8.22
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc([C@H]2CCCN2)cc1F,CHEMBL1684192,8.52
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc[nH]c3c2)CCN1c1ccc(C2CCCN2)cc1F,CHEMBL1684191,7.0
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc(C2CCCN2)cc1F,CHEMBL1684190,8.7
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(C2CCCN2)cc1F,CHEMBL1684189,8.7
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(C2CCCN2)cc1F,CHEMBL1684188,8.3
+CN1CCCC1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,CHEMBL1684187,8.22
+CN1CCCC1c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,CHEMBL1684186,7.82
+NC1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21,CHEMBL1684185,8.3
+CNC1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21,CHEMBL1684184,9.52
+CNC1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21,CHEMBL1684183,8.3
+CNC1CCc2cc(N3CC[C@H](NS(=O)(=O)/C=C/c4ccc(Cl)s4)C3=O)ccc21,CHEMBL1684182,8.4
+CN(C)C1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21,CHEMBL1684181,9.0
+CN(C)[C@@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21,CHEMBL1614790,8.05
+CN(C)[C@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21,CHEMBL1614872,8.7
+CN(C)C1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21,CHEMBL1684180,8.52
+CN(C)C1CCc2cc(N3CC[C@H](NS(=O)(=O)/C=C/c4ccc(Cl)s4)C3=O)ccc21,CHEMBL1684179,8.4
+CN1CCc2cc(N3CC[C@H](NS(=O)(=O)/C=C/c4ccc(Cl)s4)C3=O)ccc2C1,CHEMBL1689013,9.0
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CCNC2,CHEMBL1689014,9.22
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1)CCNC2,CHEMBL1689015,9.0
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCNC2,CHEMBL1689016,9.0
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CNCC2,CHEMBL1689018,8.1
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1)CNCC2,CHEMBL1689019,8.0
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CNCC2,CHEMBL1689020,7.82
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1F)CCNC2,CHEMBL1615104,8.89
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1cc2c(cc1F)CNCC2,CHEMBL1689021,8.52
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1F)CCNC2,CHEMBL1689022,9.22
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1cc2c(cc1F)CNCC2,CHEMBL1689023,8.7
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1F)CCNC2,CHEMBL1689024,8.7
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1cc2c(cc1F)CNCC2,CHEMBL1689025,9.0
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CCCNC2,CHEMBL1689026,9.0
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1)CCCNC2,CHEMBL1689027,9.1
+O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCCNC2,CHEMBL1689028,9.1
+O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1F)CCCNC2,CHEMBL1689029,8.89
+O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1F)CCCNC2,CHEMBL1689030,9.1
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,CHEMBL315699,7.3
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cc(C(=N)N)ccc4N)C3=O)cc2c1,CHEMBL86114,8.2
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cc(N)cc(C(=N)N)c4)C3=O)cc2c1,CHEMBL1766818,5.9
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cc(C(=N)N)ccc4O)C3=O)cc2c1,CHEMBL1766819,8.5
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4ccc(O)c(C(=N)N)c4)C3=O)cc2c1,CHEMBL1766820,6.0
+COC(=O)COc1ccc(C(=N)N)cc1CN1CCC(NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O,CHEMBL1766821,8.1
+COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cc(C(=N)N)ccc4OCC(=O)O)C3=O)cc2c1,CHEMBL1766822,5.9
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)C4)cc2)CC3)cc1,CHEMBL1766823,9.3
+N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809213,8.57
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1229259,8.62
+CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL1809214,7.51
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809216,7.28
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(c3ncccn3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809238,6.89
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809239,6.4
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL1809241,6.25
+CCC(NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809250,8.68
+CCC[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809251,7.43
+CC(C)[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809252,7.68
+C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1,CHEMBL1809254,8.85
+N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(=N)N)cc1,CHEMBL1809256,7.84
+O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL1923468,8.33
+COc1ccc(C(=O)Nc2cccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1,CHEMBL1922344,7.7
+COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1,CHEMBL1922235,7.51
+CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808948,5.18
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3ccc(F)cc3)cc21,CHEMBL1952398,5.11
+CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808956,5.8
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)cc3)ccc21,CHEMBL1952399,5.25
+CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808952,5.26
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccc(F)cc3)C(=O)C(=O)O)cc21,CHEMBL1952400,4.79
+CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952401,5.55
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)cc3)C(=O)C(=O)O)ccc21,CHEMBL1952402,5.11
+CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808947,5.17
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3cccc(F)c3)cc21,CHEMBL1952403,5.12
+CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808955,5.92
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cccc(F)c3)ccc21,CHEMBL1949701,5.18
+CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808951,5.31
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3cccc(F)c3)C(=O)C(=O)O)cc21,CHEMBL1952404,4.74
+CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952405,5.8
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3cccc(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1952406,5.39
+CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808949,5.1
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3ccc(F)c(F)c3)cc21,CHEMBL1952407,5.19
+CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808957,5.82
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)c(F)c3)ccc21,CHEMBL1952408,5.36
+CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808953,5.33
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)O)cc21,CHEMBL1952409,4.85
+CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1952410,5.8
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1952411,5.44
+CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808950,5.01
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3cc(F)cc(F)c3)cc21,CHEMBL1949835,5.01
+CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1808958,4.82
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cc(F)cc(F)c3)ccc21,CHEMBL1949836,5.4
+CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)CC(C)(COc1ccc(C(=N)N)cc1)O2,CHEMBL1808954,5.22
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)cc21,CHEMBL1949837,4.85
+CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,CHEMBL1949838,6.1
+CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)ccc21,CHEMBL1949839,5.8
+N=C(N)NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL2016865,7.38
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(c3)CNC(=O)CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016866,5.46
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016864,5.03
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016867,5.46
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccc(cc3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016868,6.82
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016869,7.63
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016870,7.38
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC=CCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016871,6.66
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016872,5.905
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(c3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016873,6.69
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc(n3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016874,5.73
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3cccc([n+]3[O-])Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2016875,5.51
+C=S(=O)(NC(=O)CNCC)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL3392115,8.82
+C=S(=O)(NC(=O)CN(CC)CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL3392119,8.96
+COc1ccc(C(=O)NC2(C(=O)NCC3CCN(c4ccncc4)CC3)CC2)cc1,CHEMBL2205680,6.76
+COc1ccc(C(=O)Nc2cccnc2NCC2CCN(c3ccncc3)CC2)cc1,CHEMBL2205679,7.41
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)CNC(=O)CN1C[C@@H]2C,CHEMBL2315238,5.49
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315237,5.05
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315236,5.6
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C,CHEMBL2315235,5.43
+C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@H]2C,CHEMBL2315234,4.85
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315247,5.07
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315246,5.13
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4cccc(c4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315245,5.9
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315244,6.63
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315243,4.6
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315242,6.38
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315241,5.74
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315240,7.91
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(CCC)CCC,CHEMBL2334321,5.44
+CCCNc1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(CC)CC,CHEMBL2334319,4.92
+CC(C)(C)OC(=O)CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334315,6.54
+CC(C)(C)Nc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)N)cc1)CC2(C)C,CHEMBL2334310,5.55
+C[C@@]1(C(=O)NCc2ccccc2)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334303,5.43
+CNC(=O)[C@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334302,5.96
+CCCC1(CCC)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334299,6.26
+CCC[C@@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334298,5.66
+CCC[C@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334326,6.0
+C=CC[C@]1(C)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334325,6.19
+CCC1(CC)C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O,CHEMBL2334324,5.48
+N=C(N)c1ccc(OC[C@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1,CHEMBL2337674,5.29
+N=C(N)c1ccc(OC[C@@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1,CHEMBL2337673,5.9
+N=C(N)c1ccc(OC[C@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1,CHEMBL2337672,5.71
+N=C(N)c1ccc(OC[C@@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1,CHEMBL2337671,5.28
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](COc1ccc(C(=N)N)cc1)CO2,CHEMBL2337670,5.57
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](COc1ccc(C(=N)N)cc1)CO2,CHEMBL2337669,6.2
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@H](COc1ccc(C(=N)N)cc1)O2,CHEMBL2337676,5.82
+CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@@H](COc1ccc(C(=N)N)cc1)O2,CHEMBL2337675,5.67
+O=C(NC[C@H]1CN(c2ccc(N3CCC(C(=O)O)CC3)cc2)C(=O)O1)c1ccc(Cl)c(-c2nc(=O)o[nH]2)c1,CHEMBL2391203,4.05
+Nc1cc(C(=O)NC[C@@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)ccc1Cl,CHEMBL2391202,4.24
+Nc1cc(C(=O)NC[C@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)ccc1Cl,CHEMBL2391201,4.43
+CCOC(=O)C1CCN(c2ccc(N3C[C@@H](CNC(=O)c4ccc(Cl)c(N)c4)OC3=O)cc2)CC1,CHEMBL2391200,4.08
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)c(N)c4)OC3=O)cc2)CC1,CHEMBL2391199,4.97
+N=C(N)c1ccc(CNC[C@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)cc1,CHEMBL2391198,4.27
+N=C(N)c1ccc(C(=O)NC[C@@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)cc1,CHEMBL2391197,4.2
+N=C(N)c1ccc(C(=O)NC[C@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)cc1,CHEMBL2391196,4.37
+CCOC(=O)C1CCN(c2ccc(N3C[C@@H](CNCc4ccc(C(=N)N)cc4)OC3=O)cc2)CC1,CHEMBL2391195,4.59
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNCc4ccc(C(=N)N)cc4)OC3=O)cc2)CC1,CHEMBL2391194,4.46
+O=C(O)C1CCN(c2ccc(N3C[C@@H](CNCc4ccc(-c5nc(=O)o[nH]5)cc4)OC3=O)cc2)CC1,CHEMBL2391191,4.02
+CC1(C(=O)O)CCCN(c2ccc(N3C[C@H](CNC(=O)c4cnc(N)s4)OC3=O)cc2)C1=O,CHEMBL2391187,4.95
+CCOC(=O)C1(C)CCCN(c2ccc(N3C[C@H](CNC(=O)c4cnc(N)s4)OC3=O)cc2)C1=O,CHEMBL2391186,4.25
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNC(=O)c4cnc(N)s4)OC3=O)cc2)C(=O)C1,CHEMBL2391185,4.42
+CCOC(=O)C1CCCCN1c1ccc(N2C[C@H](CNC(=O)c3cnc(N)s3)OC2=O)cc1,CHEMBL2391184,4.54
+Nc1ncc(C(=O)NC[C@H]2CN(c3ccc(N4CCCC(C(=O)O)C4)cc3)C(=O)O2)s1,CHEMBL2391183,4.32
+CCOC(=O)C1CCCN(c2ccc(N3C[C@H](CNC(=O)c4cnc(N)s4)OC3=O)cc2)C1,CHEMBL2391042,4.31
+Nc1ncc(C(=O)NC[C@@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)s1,CHEMBL2391041,4.05
+Nc1ncc(C(=O)NC[C@H]2CN(c3ccc(N4CCC(C(=O)O)CC4)cc3)C(=O)O2)s1,CHEMBL2391039,4.31
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNC(=O)c4cnc(N)s4)OC3=O)cc2)CC1,CHEMBL2391038,4.26
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2ccc(C(=O)O)cc2)cc1O,CHEMBL2409314,5.89
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2cccc(C(=O)O)c2)cc1O,CHEMBL2409220,5.82
+COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2ccccc2C(=O)O)cc1O,CHEMBL2409219,7.8
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL2419745,5.65
+CCOc1cc([C@H](Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431596,5.09
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431595,5.14
+CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(C)C,CHEMBL2431616,5.14
+CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1OC(C)C,CHEMBL2431615,5.15
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL2431601,5.23
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccc(N)cc2)ccc1OC(C)C,CHEMBL2431604,5.24
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL2431602,5.25
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2cccc(O)c2)ccc1OC(C)C,CHEMBL2431597,5.26
+CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431590,5.27
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C,CHEMBL2431589,5.46
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)C,CHEMBL2431605,5.52
+O=C(Nc1ccc(OCc2cccc(F)c2)cc1)C1CCN(c2ccncc2)CC1,CHEMBL2441025,4.6
+Fc1cccc(COc2cccc(NCC3CCN(c4ccncc4)CC3)c2)c1,CHEMBL2441027,5.42
+O=C(Nc1cccc(CCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441028,4.36
+O=C(Nc1cccc(CCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441029,4.42
+O=C(Nc1cccc(COc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441030,6.11
+O=C(Nc1cccc(OCCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441032,5.67
+O=C(Nc1cccc(OCCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441033,6.88
+CN(C(=O)C1CCN(c2ccncc2)CC1)c1cccc(OCc2cccc(F)c2)c1,CHEMBL2441034,4.63
+O=C(Nc1cccc(OCc2ccc3c(c2)OCO3)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441035,5.43
+COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC,CHEMBL2441037,6.22
+COc1ccccc1COc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL2441040,4.79
+COc1cccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)c1,CHEMBL2441039,5.14
+COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441038,4.95
+CN(C)Cc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441041,4.91
+Nc1cccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)c1,CHEMBL2441042,4.44
+Nc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441043,4.6
+O=C(Nc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441044,4.31
+CS(=O)(=O)c1ccccc1COc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL2441046,4.45
+CS(=O)(=O)c1cccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)c1,CHEMBL2441045,4.81
+CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441047,5.11
+O=C(Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441048,5.17
+O=C(Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441049,5.22
+O=C(Nc1cccc(OCc2cccc(Br)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441050,5.2
+O=C(Nc1cccc(OCc2ccc(Br)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441051,4.43
+O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441052,4.53
+O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441054,4.57
+O=C(Nc1cccc(OCc2ccc(F)cc2F)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441056,5.06
+O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441055,5.17
+O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441057,5.25
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441058,5.96
+O=C(Nc1cccc(OCc2ccccc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441060,5.13
+Nc1ccc(N2CCC(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1,CHEMBL2441059,4.2
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccccn2)CC1,CHEMBL2441061,4.11
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1,CHEMBL2441062,4.04
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(Cc2ccncc2)CC1,CHEMBL2441064,4.33
+CC(=N)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1,CHEMBL2441065,4.24
+Cc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCN(C)CC1,CHEMBL3091519,9.0
+Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)c1,CHEMBL256941,6.64
+Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21,CHEMBL3091516,7.82
+N=C(N)c1ccc(Oc2cc(C(=O)N[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099587,6.4
+N=C(N)c1ccc(Oc2cc(C(=O)NC3CCN(CCCN)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099586,7.0
+N=C(N)c1ccc(Oc2cc(C(=O)N3CCC(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099585,6.7
+N=C(N)c1ccc(Oc2ccc(C(=O)N3CCC(CCN)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099584,5.82
+N=C(N)c1ccc(Oc2ccc(C(=O)NCCCN)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099583,6.52
+N=C(N)c1ccc(Oc2ccc(C(=O)NC3CCN(C(=O)CCN)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3100168,5.64
+N=C(N)c1ccc(Oc2ccc(C(=O)N[C@H]3CC[C@H](N)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099814,6.22
+N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099812,6.52
+N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099589,6.52
+N=C(N)c1ccc(Oc2ccc(N)c(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL3099588,5.92
+N=C(N)c1ccc(CNC(=O)C(Cc2ccc(CN)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115903,4.85
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115900,5.1
+N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@H](NCC(=O)O)C3CCCCC3)Cc3ccccc3C2)cc1,CHEMBL215295,4.8
+CCOc1ccc(F)c([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c1,CHEMBL3114836,5.28
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c(F)cc1F,CHEMBL3114835,5.35
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(OC)ccc2F)c1,CHEMBL3114834,5.28
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(C)ccc2F)c1,CHEMBL3114833,5.27
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(F)c(OC)c2)c1,CHEMBL3114832,5.19
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(Cl)c(OC)c2)c1,CHEMBL3114831,5.43
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1,CHEMBL3114849,5.05
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cccc(OC(F)F)c2)c1,CHEMBL3114848,5.54
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1,CHEMBL3114847,5.22
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cc(NC(C)=O)ccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114843,5.14
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114842,5.09
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C,CHEMBL3114841,5.55
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C,CHEMBL3114840,5.46
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1OC(C)C,CHEMBL3114839,5.12
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N)c2)ccc1OC(C)C,CHEMBL3114857,5.74
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(O)c2)ccc1OC(C)C,CHEMBL3114856,5.41
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(=O)OC)c2)ccc1OC(C)C,CHEMBL3114855,5.21
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114854,5.09
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NS(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114853,5.39
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C,CHEMBL3114852,5.14
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2)ccc1OC(C)C,CHEMBL3114851,5.23
+CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114553,5.51
+CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114555,6.05
+CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114556,5.41
+CN1CCN(C(=O)[C@H](O)C(C)(C)C)[C@H](C(=O)NCc2cc(Cl)ccc2CN)C1,CHEMBL3114557,5.43
+CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114558,5.36
+CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114559,5.74
+CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN,CHEMBL3114560,5.85
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127470,5.03
+CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127491,6.29
+C[C@]1(c2ccccc2)C[C@@H](c2cc(NC(=O)C3CC3)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127490,6.06
+CCCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127489,6.19
+CCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127488,5.83
+CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127487,5.74
+C[C@]1(c2ccccc2)C[C@@H](c2cc(N)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127486,5.65
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1cc(N)cc(-c3ccccc3C(=O)O)c1)N2,CHEMBL3127485,7.24
+C[C@]1(c2ccccc2)C[C@H](c2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127484,5.08
+CC(C)(C)NC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127483,5.19
+CC(C)NC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127481,5.88
+CNC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127480,5.39
+CC(=O)Nc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127479,5.24
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccccc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127478,5.17
+COC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127477,6.22
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(N)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127476,5.4
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C#N)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127475,5.69
+CNC(=O)Nc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127474,5.94
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127473,5.52
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1cccc(-c3ccc(C(=O)O)cc3C(=O)O)c1)N2,CHEMBL3127469,6.89
+CC(C)CNC(=O)c1ccc(-c2cccc([C@@H]3C[C@H](c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127468,7.62
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1-c1ccc(C(=O)O)cc1C(=O)O)N2,CHEMBL3127466,6.01
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1-c1ccccc1C(=O)O)N2,CHEMBL3127465,5.71
+CC(C)CNC(=O)c1ccc(-c2ccccc2[C@@H]2C[C@H](c3ccccc3)c3cc(C(=N)N)ccc3N2)c(C(=O)O)c1,CHEMBL3127464,5.96
+CCOC(=O)C1CCCCN1c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1,CHEMBL3134463,7.21
+O=C(NC[C@H]1CN(c2ccc(N3CCCC(C(=O)O)C3)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL3134468,5.91
+CCOC(=O)C1CCCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)C1,CHEMBL3134467,7.2
+O=C(NC[C@H]1CN(c2ccc(N3CCC(C(=O)O)CC3)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL2391037,7.05
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1,CHEMBL3134466,6.11
+O=C(NC[C@H]1CN(c2ccc(N3CCC(C(=O)O)CC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,CHEMBL3134465,6.47
+CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)C(=O)C1,CHEMBL3134464,7.66
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccccc3F)c2)CC1,CHEMBL3219072,5.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccccc3F)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219073,6.09
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)CC1,CHEMBL3219074,5.52
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219075,5.49
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)CC1,CHEMBL3219076,6.26
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219077,5.95
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1,CHEMBL3219078,7.49
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219079,7.3
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)CC1,CHEMBL3219080,6.59
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219081,6.24
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1,CHEMBL3219082,6.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219083,6.43
+CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)c(Cl)c1,CHEMBL3219084,6.74
+CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(Cl)c1,CHEMBL3219085,6.77
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1,CHEMBL3219086,7.22
+COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1,CHEMBL3219087,6.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(N)=O)CC2)c1,CHEMBL3219088,4.86
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(N)=O)CC2)c1,CHEMBL3219089,4.77
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219090,5.15
+CNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219091,4.85
+CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219092,5.32
+CCNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219093,5.05
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)Nc3ccccc3)CC2)c1,CHEMBL3219094,5.58
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1,CHEMBL3219095,5.47
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219096,5.19
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219097,5.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)NCc3ccccc3)CC2)c1,CHEMBL3219098,5.26
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)c1,CHEMBL3219099,5.61
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1,CHEMBL3219100,7.29
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1,CHEMBL3219101,7.54
+COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c2)c(OC)c1,CHEMBL3219102,7.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219103,7.7
+Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(-c2ccc(Cl)s2)on1,CHEMBL3343304,5.16
+Nc1c(OCCCO)cccc1OCc1cc(-c2ccc(Cl)s2)on1,CHEMBL3343303,4.74
+Nc1ccccc1OCc1cc(-c2ccc(Cl)s2)on1,CHEMBL3343302,4.94
+CC(=O)OC[C@H]1O[C@@H](OCCCOc2cccc(OCc3cc(-c4ccc(Cl)s4)on3)c2NC(=O)C2CCN(C(C)C)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3343300,9.6
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(F)[nH]2)CC1,CHEMBL3355681,5.86
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)CC1,CHEMBL3355683,5.19
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1,CHEMBL3314440,9.18
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1,CHEMBL3314441,9.0
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN(C)C)cc2)CC3)cc1,CHEMBL3314442,9.96
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCC4)cc2)CC3)cc1,CHEMBL3314443,9.62
+COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1,CHEMBL3314444,9.49
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN(C)C)cc2)CC3)cc1,CHEMBL3314445,10.15
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CNC4CC4)cc2)CC3)cc1,CHEMBL3359592,10.3
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCC4)cc2)CC3)cc1,CHEMBL3314447,10.3
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1,CHEMBL3314448,10.22
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)C#N)cc2)CC3)cc1,CHEMBL3314449,8.91
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN)cc2)CC3)cc1,CHEMBL3314450,9.82
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCCC4=O)cc2)CC3)cc1,CHEMBL3314451,8.82
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)O)cc2)CC3)cc1,CHEMBL3314452,8.03
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N(C)C)cc2)CC3)cc1,CHEMBL3314453,9.7
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N4CCCC4)cc2)CC3)cc1,CHEMBL3314454,10.15
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)S(C)(=O)=O)cc2)CC3)cc1,CHEMBL3314455,9.32
+COC(=O)Nc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)n2)cc1,CHEMBL3398642,5.82
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3)c[nH]2)c1,CHEMBL3403467,6.12
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C)c[nH]2)c1,CHEMBL3403471,6.17
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1,CHEMBL3403472,6.35
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccc(C)cc3)c[nH]2)c1,CHEMBL3403473,6.37
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3OC)c[nH]2)c1,CHEMBL3403474,6.34
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1,CHEMBL3403475,6.25
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccc(OC)cc3)c[nH]2)c1,CHEMBL3403476,6.27
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1,CHEMBL3403477,6.37
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(=O)OC)c[nH]2)c1,CHEMBL3403478,5.39
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(=O)O)c[nH]2)c1,CHEMBL3400183,5.66
+CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(N)=O)c[nH]2)c1,CHEMBL3403479,5.63
+Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C,CHEMBL3423058,6.405
+Cc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccc(-n2cnnc2)cc1Cl)C3,CHEMBL3423050,4.92
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2,CHEMBL3594314,6.0
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(=N)N)cc1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594313,5.26
+CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594312,5.32
+CC(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594311,5.48
+CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2,CHEMBL3594310,5.49
+Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3ccc(F)cc3)[nH]c2cc1C,CHEMBL3627872,5.82
+Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3cccnc3)[nH]c2cc1C,CHEMBL3627873,5.8
+Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3nc4cc(Cl)c(C)cc4[nH]3)c(Cl)c2)n1,CHEMBL3627893,4.82
+COc1cc2[nH]c([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)c3cccc(F)c3)nc2cc1Cl,CHEMBL3627894,5.71
+Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3nc4ccc(Cl)cc4[nH]3)c(Cl)c2)n1,CHEMBL3627895,4.68
+Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3ccc4nc(C)[nH]c4c3)c(Cl)c2)n1,CHEMBL3627897,5.55
+Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3cccc(F)c3)[nH]c2cc1C,CHEMBL3627871,6.0
+Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3ccccc3F)[nH]c2cc1C,CHEMBL3627870,6.39
+Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccccc3)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)c2)n1,CHEMBL3627869,5.61
+COc1cc(-n2cnnc2)cc(Cl)c1C(=O)NC[C@@H](c1ccccc1)c1nc2cc(C)c(C)cc2[nH]1,CHEMBL3627868,6.61
+Cc1cc2nc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnnc4)cc3C(F)(F)F)c3ccccc3)[nH]c2cc1C,CHEMBL3627867,6.47
+Cc1cc2nc([C@@H](CNC(=O)c3c(C)cc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C,CHEMBL3627866,6.71
+Cc1cc2nc([C@@H](CNC(=O)c3c(F)cc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C,CHEMBL3627865,6.26
+Cc1cc2nc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C,CHEMBL3627864,6.98
+Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(C)CCc4nn5c(C)ccc(O)c5c4C3)c(Cl)c2)n1,CHEMBL3628829,5.65
+Cc1ccc2c3c(nn2c1)CC[C@@](C)(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)C3,CHEMBL3628830,5.67
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1ccc(-n2cnc(C)n2)cc1Cl)(c1ccccc1)C3,CHEMBL3628831,6.18
+Cc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628832,5.69
+Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(C)CCc4[nH]c5c(C)cccc5c4C3)c(Cl)c2)n1,CHEMBL3628833,4.54
+Cc1ccc2c3c(n(CCC(=O)O)c2c1)CC[C@@](C)(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)C3,CHEMBL3628834,4.97
+Cc1ccc2c(c1)c(CCC(=O)O)c1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628835,5.37
+Cc1ccc2c3c(nn2c1)CC[C@@](CO)(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)C3,CHEMBL3628836,6.0
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(C(C)O)C3,CHEMBL3628837,6.59
+Cc1cccc([C@@]2(NC(=O)c3ccc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1,CHEMBL3628838,6.22
+COc1cccc([C@@]2(NC(=O)c3ccc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1,CHEMBL3628947,6.42
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(F)c1)C3,CHEMBL3628948,6.61
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(Cl)c1)C3,CHEMBL3628949,5.77
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(C(F)(F)F)c1)C3,CHEMBL3628950,5.81
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1ccc(F)cc1)C3,CHEMBL3628951,5.95
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1ccc(F)c(F)c1)C3,CHEMBL3628952,5.81
+Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3,CHEMBL3628953,6.13
+Cc1cccc([C@@]2(NC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1,CHEMBL3628954,6.23
+Cc1ccc2c3c(nn2c1)CC[C@@](C)(NC(=O)c1ccc(-n2cnc4cc(C(=O)O)ccc42)cc1Cl)C3,CHEMBL3628955,6.29
+Cc1ccc2c(c1)c(C)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628957,5.76
+Cc1ccc2c(c1)c(C1CC1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628958,5.85
+Cc1ccc2c(c1)c(C(F)(F)F)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628959,5.48
+Cc1ccc2c(c1)c(C#N)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628960,5.97
+Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628961,6.71
+Cc1ccc2c(c1)c(/C=N/O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628962,6.4
+Cc1ccc2c(c1)c(/C=C/C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628964,6.47
+Cc1ccc2c(c1)c(-c1nn[nH]n1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628965,6.29
+Cc1ccc2c(c1)c(-c1cncc(N)c1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3628966,6.59
+Cc1ccc2c(c1)c(C(O)C(F)(F)F)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3629109,5.27
+Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3629110,5.99
+Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1,CHEMBL3629111,6.63
+Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnn3)cc2Cl)(c2ccccc2)CC1,CHEMBL3629113,5.98
+Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1,CHEMBL3629114,6.39
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660192,5.62
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660191,6.07
+COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL3660190,5.23
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1,CHEMBL3660171,5.62
+CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660172,5.72
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660173,6.52
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(C(=O)C3CC3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660174,5.64
+CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660175,5.64
+CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660176,6.12
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660177,7.05
+COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660178,5.8
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660179,7.7
+CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660180,5.6
+CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660181,5.77
+CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660182,5.66
+COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660183,5.7
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660184,6.4
+CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660185,5.49
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660186,5.96
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1,CHEMBL3660187,5.8
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660188,6.92
+COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660189,6.4
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cn(nn3)Cc3ccc(cc3)Cn3cc(nn3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666826,6.22
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666821,5.24
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccccc3CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666822,6.99
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCCNC(=O)c3cccc(c3)C(=O)NCCCC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL3666824,6.42
+O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3754069,5.28
+COC(=O)Nc1ccc(-c2ccnc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)c2)cc1,CHEMBL3781319,5.95
+CC1CN(c2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780584,6.62
+CC1CN(c2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780437,4.59
+CC1CN(Cc2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780277,4.31
+CC1CN(Cc2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1,CHEMBL3780039,4.64
+CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3781349,6.42
+CC1CN(CCC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3779949,6.4
+N=C(N)c1cccc(N2CC(O)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781784,6.07
+N=C(N)c1cccc(N2CC(CO)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781354,6.6
+COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3781626,5.91
+COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3780434,6.7
+N=C(N)c1cccc(N2CC(OCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780208,6.04
+N=C(N)c1cccc(N2CC(COCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780036,6.74
+N=C(N)c1cccc(N2CC(CNC(=O)c3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781405,6.12
+N=C(N)c1cccc(N2CC(NC(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780548,6.13
+N=C(N)c1cccc(N2CC(CNC(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780269,5.81
+CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,CHEMBL3780273,6.29
+N=C(N)c1cccc(N2CC(NS(=O)(=O)c3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3780005,6.21
+N=C(N)c1cccc(N2CC(NS(=O)(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,CHEMBL3781673,6.18
+Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc12,CHEMBL3809472,6.21
+CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3808853,5.59
+C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3808399,5.35
+C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3809352,5.17
diff --git a/chembl_200/CHEMBL245.csv b/chembl_200/CHEMBL245.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7e6f4c1d7222806f1a21f5be65315c00e6ca7ca3
--- /dev/null
+++ b/chembl_200/CHEMBL245.csv
@@ -0,0 +1,974 @@
+O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL358289,7.55
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146567,8.7
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL59836,8.38
+CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2,CHEMBL542622,8.23
+OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21,CHEMBL94772,5.16
+OC1(C2=CN3CCC2CC3)c2ccccc2Oc2ccccc21,CHEMBL327664,4.77
+CC(=O)c1ccc(C2=CN3CCC2CC3)s1,CHEMBL94921,5.59
+COc1ccccc1C(O)C1=CN2CCC1CC2,CHEMBL96042,5.82
+c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2,CHEMBL273586,7.0
+O=Cc1ccc(C2=CN3CCC2CC3)s1,CHEMBL264747,5.32
+COc1ccccc1C(=O)C1=CN2CCC1CC2,CHEMBL93709,5.7
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL353140,7.33
+CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CHEMBL166385,7.41
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1,CHEMBL168145,7.47
+CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1,CHEMBL168149,7.1
+Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,CHEMBL294649,4.3
+Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21,CHEMBL298612,4.5
+COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1OC,CHEMBL69733,5.7
+CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL538793,6.9
+COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1,CHEMBL136027,7.1
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1,CHEMBL545077,7.1
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1,CHEMBL148404,7.82
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1,CHEMBL343659,7.96
+O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146464,8.6
+Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1,CHEMBL149486,8.19
+O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148328,7.0
+O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147653,8.42
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1,CHEMBL146249,7.96
+Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL147778,8.05
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1,CHEMBL146351,7.8
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1,CHEMBL343644,7.72
+O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL358193,8.44
+O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL145913,8.27
+O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147554,7.77
+O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL359197,6.72
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F,CHEMBL356181,8.21
+O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL146359,7.74
+Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1,CHEMBL343449,8.11
+Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1,CHEMBL356305,8.46
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL150219,8.21
+O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147105,7.89
+O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL346194,7.85
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1,CHEMBL69678,8.55
+O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL345985,6.57
+Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL358726,8.64
+Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL422665,8.16
+COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL149484,8.46
+O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL148129,7.92
+O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL146291,7.03
+COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1,CHEMBL148450,8.23
+Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1,CHEMBL148310,6.66
+O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL149769,7.77
+NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1,CHEMBL146307,7.68
+O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147611,8.51
+O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL147695,7.52
+CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1,CHEMBL359220,7.74
+O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1,CHEMBL147672,7.3
+O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL356505,8.49
+COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL130835,7.01
+COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1,CHEMBL127273,6.37
+COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,CHEMBL27673,6.42
+Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,CHEMBL311795,6.15
+CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,CHEMBL263555,5.04
+CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL24369,6.75
+CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285440,7.51
+CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL284137,8.4
+CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL285898,6.8
+CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL286008,8.77
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1,CHEMBL443780,8.0
+O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112955,9.51
+O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL2112957,9.6
+O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1,CHEMBL369062,8.68
+O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112961,8.66
+O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112956,9.0
+O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1,CHEMBL177040,8.48
+O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112959,9.12
+O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1,CHEMBL2112958,9.33
+CCO/C(O)=C1\CN2CCCC(C2)C1=O,CHEMBL306462,5.82
+O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL306903,7.77
+NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71799,7.0
+NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69402,7.8
+NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1,CHEMBL302720,6.19
+CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71933,6.92
+NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68584,8.29
+NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL69648,8.96
+NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL263040,7.12
+NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL71431,8.85
+NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1,CHEMBL302145,7.03
+NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69582,8.02
+NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL410890,8.43
+NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL66820,7.33
+CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL69765,6.03
+O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL69383,6.49
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1,CHEMBL305531,8.54
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL66322,7.96
+O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL67873,7.05
+CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL71483,7.59
+CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL443267,8.15
+CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL302809,8.48
+NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68384,8.92
+O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL69904,5.62
+O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL307554,6.54
+O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL67814,7.3
+O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1,CHEMBL424416,7.77
+CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1,CHEMBL68609,8.08
+NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1,CHEMBL66400,8.77
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1,CHEMBL308566,8.43
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL71147,9.32
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1,CHEMBL72551,6.92
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1,CHEMBL420008,8.47
+C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1,CHEMBL421113,8.0
+CC(=O)OC1CC2CCCC1N2C,CHEMBL294273,4.82
+COC(=O)C1CC2CCCC1N2,CHEMBL64788,4.74
+CC(=O)OC1CC2CCCC1N2,CHEMBL64000,6.17
+CN1C2CCCC1C(OC(=O)C1CCCCC1)C2,CHEMBL313738,5.52
+O=C(OC1CC2CCCC1N2)c1ccccc1,CHEMBL84113,5.89
+CCC(=O)OC1CC2CCCC1N2C,CHEMBL440138,5.13
+CCC(=O)OC1CC2CCCC1N2,CHEMBL310558,4.94
+CN1C2CCCC1C(OC(=O)c1ccccc1)C2,CHEMBL85190,5.49
+CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2,CHEMBL314493,5.17
+O=C(OC1CC2CCCC1N2)C1CCCCC1,CHEMBL82754,5.12
+O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1,CHEMBL315428,6.35
+C=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2114068,9.89
+COc1ccc([S@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115126,7.23
+COc1ccc([S@@](=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114064,7.43
+C=C(c1ccc([S@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1,CHEMBL2115128,9.42
+COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71124,9.8
+COc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL307810,9.01
+COc1ccc([S@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2115127,7.7
+COc1ccc([S@@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2114067,7.56
+COc1ccc([S@@](=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL2111540,7.53
+COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71971,8.17
+COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1,CHEMBL71531,7.86
+CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL20732,4.85
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278074,5.68
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21321,5.77
+CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL279453,7.18
+O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21716,5.76
+CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21509,4.67
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21328,4.14
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL22108,6.72
+CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL279520,4.39
+CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1,CHEMBL424214,4.01
+CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL21937,4.21
+CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL283320,4.34
+CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21,CHEMBL279225,4.2
+CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL280684,5.0
+CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21,CHEMBL21508,4.56
+CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21,CHEMBL278129,4.82
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL277642,7.013
+O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL314831,8.8
+O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85892,9.0
+CC(=O)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL82850,6.8
+O=C(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL86012,7.6
+O=C(c1ccccc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85568,6.8
+COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1,CHEMBL82859,8.4
+O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83982,8.6
+O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1,CHEMBL310132,8.7
+O=C(c1ccc(Br)cc1)N(c1cccnc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85511,6.0
+O=C(C1CCC1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83363,7.8
+O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85996,9.1
+O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL87302,7.6
+O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL86309,7.6
+O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL83459,8.1
+O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL82512,8.7
+O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1,CHEMBL2112313,6.2
+O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL87132,7.5
+O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL84993,8.9
+O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL315127,6.1
+O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85950,7.1
+O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL85391,8.4
+O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL88078,7.6
+O=C(c1ccco1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL310016,7.0
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.78
+CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1,CHEMBL369575,5.56
+C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL564226,5.47
+CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1,CHEMBL423831,7.59
+CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL167223,7.02
+CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,CHEMBL354523,6.55
+Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352966,5.6
+CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL354678,6.51
+CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL169594,5.09
+CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355392,5.75
+CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1,CHEMBL169680,4.93
+CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL172234,5.05
+CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355560,5.09
+Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL354841,6.3
+COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352404,5.5
+CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1,CHEMBL355455,5.72
+CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1,CHEMBL170221,6.54
+CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1,CHEMBL355851,4.31
+CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1,CHEMBL168707,6.3
+CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL171216,6.13
+CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL170088,6.2
+CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL352779,4.62
+CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,CHEMBL172233,6.15
+COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1,CHEMBL167027,5.93
+CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1,CHEMBL168704,6.02
+C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL1493369,6.86
+CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1,CHEMBL353290,6.58
+CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1,CHEMBL355769,5.74
+CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1,CHEMBL169494,5.81
+CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2,CHEMBL352723,5.98
+CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1,CHEMBL171102,7.17
+CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL434684,7.5
+CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1,CHEMBL169401,6.24
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL335542,8.3
+COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL553058,7.6
+CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106219,7.3
+C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL420662,6.39
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL320465,7.15
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL318995,6.47
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(O)ccc2C1O3,CHEMBL107680,4.59
+CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104210,6.34
+C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL104332,6.17
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21,CHEMBL104574,5.86
+CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105148,7.04
+CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106218,6.66
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3,CHEMBL106224,7.15
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL59898,6.59
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3,CHEMBL105593,5.29
+COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21,CHEMBL104804,5.69
+COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105945,6.4
+CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL105160,6.55
+CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3,CHEMBL326450,6.82
+CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107679,6.58
+CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106259,4.81
+CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3,CHEMBL280220,6.64
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3,CHEMBL105674,5.56
+CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL107444,6.04
+C=C1N=C(c2c(C)[nH]c3ccc4c(c23)CN2CCc3cc(OC)ccc3C2O4)ON1,CHEMBL104803,5.51
+CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3,CHEMBL105122,6.64
+CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3,CHEMBL106505,5.99
+CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3,CHEMBL104693,7.0
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL376897,9.87
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL56275,6.17
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL58824,6.1
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL57485,5.68
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL291562,5.3
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL55698,5.71
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL294663,5.48
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL430587,4.96
+C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12,CHEMBL301670,5.79
+CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL381623,9.895
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,9.015
+Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,CHEMBL1382,8.452
+COC1(C#CC(O)(c2ccccc2)c2cncnc2)CN2CCC1CC2,CHEMBL203249,9.0
+COC1(C#CC(O)(c2ccccc2)c2cccnn2)CN2CCC1CC2,CHEMBL383248,8.1
+COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2,CHEMBL382213,9.1
+COC1(C#CC(O)(c2ccccc2)c2ccc(F)nc2)CN2CCC1CC2,CHEMBL427013,9.49
+CO[C@]1(C#CC(O)(c2cccnc2)c2cccnc2)CN2CCC1CC2,CHEMBL381469,7.3
+COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2,CHEMBL201933,8.89
+CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL372566,7.89
+CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL200171,9.6
+COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2,CHEMBL200319,9.4
+COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2,CHEMBL200210,8.0
+COC1(C#CC(O)(c2ccccn2)C2CCC2)CN2CCC1CC2,CHEMBL381020,7.7
+COC1(C#CC(O)(c2ccccn2)C2CCCC2)CN2CCC1CC2,CHEMBL370862,8.4
+CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2,CHEMBL200401,10.1
+CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2,CHEMBL370232,10.3
+CO[C@]1(C#CC(O)C2c3ccccc3C=Cc3ccccc32)CN2CCC1CC2,CHEMBL200566,7.0
+CO[C@]1(C#CC(O)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CN2CCC1CC2,CHEMBL199591,6.0
+CO[C@]1(C#CC(O)(c2cccc(C)c2)c2cccc(C)c2)CN2CCC1CC2,CHEMBL380583,8.1
+CO[C@]1(C#CC(O)(c2cccc(F)c2)c2cccc(F)c2)CN2CCC1CC2,CHEMBL383389,9.1
+CO[C@]1(C#CC(O)(c2ccc(C)cc2)c2ccc(C)cc2)CN2CCC1CC2,CHEMBL200209,7.0
+CO[C@]1(C#CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CN2CCC1CC2,CHEMBL199981,8.1
+CO[C@]1(C#CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CN2CCC1CC2,CHEMBL381878,9.0
+COC1(C#CC(O)(Cc2ccccc2)Cc2ccccc2)CN2CCC1CC2,CHEMBL197973,6.2
+COC1(C#CC(O)(Cc2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL373256,7.4
+CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1,CHEMBL200416,9.2
+CCCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1,CHEMBL199821,8.6
+COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2,CHEMBL200957,9.0
+COC1(C#CC(O)(c2ccccc2)C2CCCC2)CN2CCC1CC2,CHEMBL200432,9.6
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL371734,8.445
+CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL200693,9.7
+CO[C@@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL200208,7.2
+C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1,CHEMBL380759,5.62
+C#CCOC(=O)C1=CCCN(C)C1,CHEMBL128365,6.07
+C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O,CHEMBL2093084,4.47
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1,CHEMBL205853,7.1
+C1CCCN(c2nc(C3CC3)nc3c2CCCCN3)CC1,CHEMBL207816,8.0
+C1CCCN(c2nc(C3CC3)nc3c2CCCN3)CC1,CHEMBL207287,7.3
+Cc1c(N[C@H]2C[C@@H]2C)nc(C2CC2)nc1N1CCCCCC1,CHEMBL380314,8.1
+Cc1c(NC2(C)CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL208335,8.0
+Cc1c(NC2CCC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL202729,8.1
+CCc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1,CHEMBL206826,7.0
+COc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1,CHEMBL207098,6.4
+Nc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205482,7.1
+O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL204777,5.6
+Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL206127,6.5
+Fc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL206753,6.6
+c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL380135,7.2
+C[C@@H]1C[C@H]1c1nc(NC2CC2)cc(N2CCCCCC2)n1,CHEMBL206087,6.4
+Cc1c(NC2CC2)nc([C@@H]2C[C@H]2C)nc1N1CCCCCC1,CHEMBL377729,7.49
+Cc1c(NC2CC2)nc(Cc2ccccc2)nc1N1CCCCCC1,CHEMBL208300,6.3
+Cc1c(NC2CC2)nc(CC2CC2)nc1N1CCCCCC1,CHEMBL378904,6.9
+Cc1c(NC2CC2)nc(C(C)C)nc1N1CCCCCC1,CHEMBL206714,7.6
+Cc1c(NC2CC2)nc(C2CCCC2)nc1N1CCCCCC1,CHEMBL205841,7.1
+Cc1c(NC2CC2)nc(C2CCC2)nc1N1CCCCCC1,CHEMBL205840,7.4
+Cc1c(NCCc2cccs2)nc(C2CC2)nc1NC1CC1,CHEMBL380477,7.1
+Cc1c(NCc2cccs2)nc(C2CC2)nc1NC1CC1,CHEMBL205737,6.9
+Cc1c(NCc2c(F)cccc2F)nc(C2CC2)nc1NC1CC1,CHEMBL380954,7.2
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCc2ccccc2C1,CHEMBL208299,6.5
+Cc1c(NC2CC2)nc(C2CC2)nc1N(C)Cc1ccccc1,CHEMBL204471,6.6
+Cc1c(NCc2ccccc2)nc(C2CC2)nc1NC1CC1,CHEMBL381259,6.7
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CC2CCC(C2)C1,CHEMBL205976,8.2
+Cc1c(NC2CCCCCC2)nc(C2CC2)nc1NC1CC1,CHEMBL206780,6.4
+Cc1c(NC2CCCCC2)nc(C2CC2)nc1NC1CC1,CHEMBL377728,6.5
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCCC1,CHEMBL205686,7.8
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL205654,8.494
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCC1,CHEMBL427390,7.0
+C=C1CCN(c2nc(C3CC3)nc(NC3CC3)c2C)CC1,CHEMBL206480,7.1
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(F)(F)CC1,CHEMBL381752,7.3
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C(F)(F)F)CC1,CHEMBL380926,7.0
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(CO)CC1,CHEMBL203124,6.3
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(Cc2ccccc2)CC1,CHEMBL205140,6.1
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC2(CCCC2)CC1,CHEMBL204353,6.8
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C)(C)CC1,CHEMBL381333,7.6
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CC=CCC1,CHEMBL205992,7.49
+CCC1CCN(c2nc(C3CC3)nc(NC3CC3)c2C)CC1,CHEMBL205944,7.3
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C)CC1,CHEMBL208280,7.8
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCC1,CHEMBL205105,7.89
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(=O)CC1,CHEMBL382374,5.49
+Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(O)CC1,CHEMBL205582,6.3
+CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1,CHEMBL377241,6.8
+O=C(NC[C@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL275914,7.0
+NCC1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1,CHEMBL379055,6.82
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL379483,7.31
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL385229,7.64
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL214270,7.54
+NC1CCCC(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1,CHEMBL212530,6.77
+N[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL405117,7.32
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215180,9.513
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL214642,8.38
+O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212645,9.29
+CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL212141,8.62
+O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214898,9.72
+O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL215189,9.28
+O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL378772,9.77
+CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL213709,9.04
+CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL214342,9.29
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL438822,9.41
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL214029,9.32
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL215894,8.8
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378859,8.92
+O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL378872,9.41
+O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL378885,8.43
+O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL211976,8.55
+COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,CHEMBL219118,6.7
+COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1,CHEMBL376295,6.7
+COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1,CHEMBL216928,6.5
+CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1,CHEMBL216983,6.5
+COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL386983,5.8
+COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL218755,6.6
+COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1,CHEMBL373888,7.3
+CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL373515,8.28
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL222259,9.04
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376057,9.23
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL220393,8.31
+C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219786,9.47
+C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375851,8.3
+C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375969,9.13
+CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL219825,8.84
+CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376255,8.77
+CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL376870,8.66
+CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL385328,9.05
+CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,CHEMBL375073,8.61
+C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL45454,8.75
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)CC1,CHEMBL223029,5.66
+O=C1N(C2CCN(Cc3ccccc3)CC2)CC(c2ccccc2)N1Cc1ccccc1,CHEMBL223188,7.57
+O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL225387,7.77
+CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1,CHEMBL375277,7.73
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL376000,8.72
+O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1,CHEMBL223017,7.09
+O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL438427,7.88
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1,CHEMBL222387,9.02
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC2CCC(C1)N2Cc1ccccc1,CHEMBL221400,8.39
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)C1,CHEMBL426890,5.61
+O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL376781,8.56
+Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1,CHEMBL375420,8.76
+O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL222207,8.18
+Cc1cccc(CN2CCC(N3CC(c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1,CHEMBL222403,8.34
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL221401,8.32
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL223079,8.17
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(F)c2)CC1,CHEMBL373994,8.36
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1,CHEMBL223925,7.27
+N#Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL376636,6.38
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,CHEMBL223030,5.69
+Nc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL221829,8.1
+Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL222388,8.63
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(O)c2)CC1,CHEMBL222804,8.12
+COc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1,CHEMBL436492,7.59
+COc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1,CHEMBL225074,8.06
+COc1ccccc1CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL388541,7.08
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL269280,7.78
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL223016,8.5
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2Cl)CC1,CHEMBL384670,7.86
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cnc[nH]2)CC1,CHEMBL223022,5.98
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1,CHEMBL441873,7.87
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1,CHEMBL221660,5.95
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCOc2ccccc2)CC1,CHEMBL426393,6.64
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCCc2ccccc2)CC1,CHEMBL223187,5.79
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCc2ccccc2)CC1,CHEMBL223186,6.93
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CC2CCCCC2)CC1,CHEMBL222527,6.45
+O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(c2ccccc2)CC1,CHEMBL434929,7.0
+CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL222402,6.03
+O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL221713,6.82
+O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL222860,8.57
+O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL223267,8.59
+COc1ccc(C2(c3ccc(OC)cc3)CN(C3CCN(Cc4ccccc4)CC3)C(=O)N2)cc1,CHEMBL374099,6.94
+O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL222424,8.55
+C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL222425,6.21
+C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222449,8.52
+C[N+]1(CC(=O)c2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL374513,8.74
+C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL223668,9.12
+C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL224783,8.12
+C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL387546,8.98
+COCC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222917,6.45
+N#CC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222916,6.27
+C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL376900,8.18
+C[N+]1(CC(=O)c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222636,8.72
+C[N+]1(CCCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL223028,8.75
+C[N+]1(CCOCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222976,8.17
+C[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374989,8.72
+C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374452,9.15
+C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL223055,9.17
+C[N+](C)(C)CCCN1CC(c2ccccc2)(c2ccccc2)NC1=O,CHEMBL223724,5.69
+CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)Cc1ccccc1)C(C)C)C(C)C,CHEMBL438243,6.21
+C[N+](C)(C)CCN1CC(c2ccccc2)(c2ccccc2)NC1=O,CHEMBL224784,6.47
+C[N+](C)(CCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1,CHEMBL222426,6.29
+C[N+]1(Cc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222975,5.5
+C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL221775,6.55
+C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222090,6.51
+C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL374987,6.14
+C[N+]1(C)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2,CHEMBL222689,6.82
+C[N+]1(Cc2ccccc2)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2,CHEMBL224965,5.6
+C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,CHEMBL390839,6.6
+C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222054,8.58
+C[N+]1(CC(=O)c2cccnc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222874,7.64
+C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1,CHEMBL222450,8.79
+C[N+]1(CC(=O)Nc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1,CHEMBL222634,8.04
+C[C@@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227378,4.44
+C[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL390842,5.207999999999999
+CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1,CHEMBL234252,7.7
+CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1,CHEMBL234440,9.66
+CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1,CHEMBL392186,8.38
+CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1,CHEMBL234258,8.68
+CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1,CHEMBL391977,8.54
+CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1,CHEMBL233202,8.24
+CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1,CHEMBL233201,8.17
+CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1,CHEMBL394255,7.85
+CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1,CHEMBL435353,7.96
+CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1,CHEMBL394137,8.82
+CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1,CHEMBL234439,8.57
+CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1,CHEMBL234438,8.6
+CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1,CHEMBL394254,8.48
+CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1,CHEMBL234257,8.31
+CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1,CHEMBL233200,7.72
+CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1,CHEMBL233199,7.64
+CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL233198,7.25
+CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1,CHEMBL234254,7.7
+Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1,CHEMBL234253,7.74
+COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1,CHEMBL242345,6.67
+FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1,CHEMBL232417,6.3
+CC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1,CHEMBL389992,7.89
+c1c(N2CCCCCC2)nc(C2CC2)nc1N1CCC1,CHEMBL232416,7.1
+COC1CN(c2nc(C3CC3)nc(N3CCCCCC3)c2C)C1,CHEMBL232208,7.4
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(=O)C1,CHEMBL436814,6.2
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(F)C1,CHEMBL396761,6.75
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C#N)C1,CHEMBL245137,6.1
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(Br)C1,CHEMBL242823,6.7
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(O)C1,CHEMBL242822,6.8
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C)(C)C1,CHEMBL434388,7.49
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C)C1,CHEMBL232860,7.7
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCCCCC1,CHEMBL395571,7.4
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCCCC1,CHEMBL434765,7.1
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCCC1,CHEMBL234099,8.89
+Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCC1,CHEMBL232419,7.8
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1,CHEMBL396845,6.05
+C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc21,CHEMBL394329,5.26
+C[N+]1(CC#CCOC2=NOCC2)CCCCC1,CHEMBL239436,5.32
+C(#CCN1CCCCC1)COC1=NOCC1,CHEMBL239866,5.41
+O=C1CCON1CC#CCN1CCCCC1,CHEMBL398043,6.27
+C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1,CHEMBL239038,5.84
+Cc1cc(OCC#CC[N+]2(C)CCCC2)no1,CHEMBL238825,5.13
+Cc1cc(OCC#CC[N+](C)(C)C)no1,CHEMBL239655,5.4
+O=C1CCON1CC#CCN1CCCC1,CHEMBL275104,6.41
+CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2,CHEMBL252258,5.92
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,5.15
+C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL404557,4.33
+C[C@H]1COC[C@H](C[N+](C)(C)C)O1,CHEMBL227429,4.63
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C,CHEMBL271108,7.99
+CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257643,7.62
+CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1,CHEMBL257431,7.52
+COC1(C#CC(C)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL410061,7.8
+COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2,CHEMBL258959,8.6
+COC(C#C[C@@]1(OC)CN2CCC1CC2)(c1ccccc1)c1ccccc1,CHEMBL411514,8.0
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2,CHEMBL260228,8.6
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2,CHEMBL264676,9.5
+CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2,CHEMBL264414,8.7
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2,CHEMBL409151,9.5
+CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2,CHEMBL428962,9.7
+CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,CHEMBL478834,6.2
+CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021479,7.39
+CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C,CHEMBL2021478,7.31
+CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021477,7.4
+CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CHEMBL2021476,7.35
+c1coc(C2CCCN2)c1,CHEMBL461087,4.94
+Cc1ccc(C[N+](C)(C)C)o1,CHEMBL92387,5.21
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL40554,5.62
+Cc1ccc([C@@H]2CCC[N+]2(C)C)o1,CHEMBL551563,5.57
+Cc1ccc([C@H]2CCC[N+]2(C)C)o1,CHEMBL553434,5.11
+Cc1ccc(C2CCC[N+]2(C)C)o1,CHEMBL555475,5.16
+C[N+]1(C)CCC[C@H]1c1ccco1,CHEMBL553155,4.67
+C[N+]1(C)CCC[C@@H]1c1ccco1,CHEMBL527880,4.75
+C[N+]1(C)CCCC1c1ccco1,CHEMBL554532,5.56
+Cc1ccc([C@@H]2CCCN2C)o1,CHEMBL450463,4.48
+Cc1ccc(C2CCCN2C)o1,CHEMBL513277,4.64
+CN1CCC[C@H]1c1ccco1,CHEMBL450729,4.28
+CN1CCC[C@@H]1c1ccco1,CHEMBL461502,4.09
+CN1CCCC1c1ccco1,CHEMBL460470,4.35
+Cc1ccc([C@H]2CCCN2)o1,CHEMBL461089,4.92
+Cc1ccc(C2CCCN2)o1,CHEMBL505086,4.74
+c1coc([C@@H]2CCCN2)c1,CHEMBL451335,4.36
+c1coc([C@H]2CCCN2)c1,CHEMBL461088,4.6
+Cc1ccc([C@H]2CCCN2C)o1,CHEMBL461709,4.54
+CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1,CHEMBL540359,7.5
+C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1,CHEMBL521523,10.5
+CCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL505197,5.9
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL499519,6.89
+CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCNC1=O,CHEMBL507760,6.0
+CCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL450986,6.64
+CCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCNC1=O,CHEMBL510340,6.01
+CCCCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O,CHEMBL508807,5.88
+CN1CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL523518,6.42
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL554916,6.515
+C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL556390,6.48
+CN1CCC[C@H]1[C@H]1CS(=O)[C@](c2ccccc2)(C2CCCCC2)O1,CHEMBL524061,6.31
+CN1CCC[C@H]1[C@H]1CS(=O)C(c2ccccc2)(c2ccccc2)O1,CHEMBL493795,6.425
+C[N+](C)(C)C[C@@H]1CS(=O)[C@@](c2ccccc2)(C2CCCCC2)O1,CHEMBL557808,7.46
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2,CHEMBL524097,9.89
+OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,CHEMBL523299,10.22
+CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084662,8.7
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2,CHEMBL3084658,8.5
+CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL3084650,9.8
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2103803,10.21
+CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084679,8.6
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2,CHEMBL3084643,8.6
+O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL564057,10.1
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,CHEMBL551466,10.15
+O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1,CHEMBL556635,10.15
+C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12,CHEMBL563920,7.12
+CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL576663,7.02
+CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL583051,8.11
+CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571121,8.78
+CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL571341,7.63
+CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569212,6.49
+CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569953,5.78
+CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL571123,7.07
+CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL576707,7.47
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1,CHEMBL569729,7.44
+C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569760,8.14
+C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569307,8.82
+C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568870,8.03
+C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL568775,6.81
+C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1,CHEMBL569089,6.29
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1,CHEMBL583027,7.63
+C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL569712,8.05
+Cc1nc2c3c(nc(Cc4ccccc4)n2n1)CCNCC3,CHEMBL565547,5.09
+C[C@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL593443,4.35
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C,CHEMBL595265,4.96
+CC1(C)CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594802,4.11
+CC1(C)COC[C@@H](C[N+](C)(C)C)O1,CHEMBL594801,4.67
+C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1,CHEMBL594376,4.18
+C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593685,4.79
+C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL594803,4.49
+C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593620,4.98
+CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C,CHEMBL593861,4.39
+C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C,CHEMBL595022,4.33
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,5.08
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,7.2
+Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,CHEMBL845,7.05
+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.37
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.08
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,5.96
+Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643900,5.86
+O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1,CHEMBL1683908,7.34
+CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683909,7.66
+CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683910,7.26
+CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683911,7.11
+CCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683912,7.77
+CCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683913,7.85
+CCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683914,8.32
+CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683915,8.29
+CCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683916,8.15
+CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683917,8.02
+CCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683918,7.6
+CCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683919,7.32
+NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683920,7.3
+NCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683921,7.17
+NCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683922,7.08
+NCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683923,7.01
+NCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683924,7.72
+NCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683925,9.28
+NCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683926,8.74
+NCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683927,9.12
+NCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683928,8.8
+NCCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683929,8.6
+NCCCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL1683930,8.59
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683931,7.55
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683932,9.13
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683933,9.49
+O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O,CHEMBL1683935,9.85
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1,CHEMBL1683936,9.85
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683938,9.74
+NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1,CHEMBL1683939,7.49
+O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL1683940,8.12
+O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2,CHEMBL1683941,6.85
+C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12,CHEMBL1683942,8.34
+CN1c2ccccc2Sc2cc(N)ccc21,CHEMBL1323615,5.0
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O)C(C)C,CHEMBL1773196,10.04
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C,CHEMBL1773197,9.56
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C,CHEMBL1773198,9.4
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C,CHEMBL1773262,8.21
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)CCCCCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C,CHEMBL1773263,8.84
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C,CHEMBL1773264,9.2
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C,CHEMBL1773074,9.12
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(O)c3)cc2)ccc1O)C(C)C,CHEMBL1773265,8.33
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C,CHEMBL1773266,9.0
+CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C,CHEMBL1773267,9.515
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2,CHEMBL3084413,9.35
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,5.0
+Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21,CHEMBL1836644,7.31
+Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21,CHEMBL1836645,8.0
+Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2c1CCCC2,CHEMBL1836646,8.6
+O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Oc4nn(-c5c(O)cccc5F)c5c4CCCC5)CC3)ccc(O)c2[nH]1,CHEMBL1836647,8.66
+CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CHEMBL221753,7.09
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,9.57
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.75
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,CHEMBL1201207,5.87
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.42
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.39
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,6.17
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.26
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,6.86
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,6.04
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,6.42
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,CHEMBL1319362,7.8
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.5
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.12
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,6.0
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.26
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,8.14
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,8.08
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,6.86
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,7.28
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.5
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.82
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,9.03
+CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL648,6.8
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.68
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,7.02
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.41
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,6.36
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.36
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.79
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.42
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.44
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.02
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,7.43
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,7.42
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,7.06
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,8.38
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,6.18
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.04
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,7.44
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,6.02
+CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,CHEMBL1909073,7.48
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.49
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CHEMBL7568,6.58
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.33
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,7.0
+C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21,CHEMBL1201024,9.62
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.53
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,6.18
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,5.85
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.4
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,CHEMBL1490,8.5
+CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,CHEMBL2107687,8.25
+CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,CHEMBL1200604,7.52
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.72
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,6.14
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,6.2
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.01
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.51
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1,CHEMBL1910848,10.135
+NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1,CHEMBL1910845,8.67
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2cccc(O)c2)C1,CHEMBL1910850,9.495
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2cccc(O)c2)C1,CHEMBL1910851,9.71
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccccc2O)C1,CHEMBL1910852,9.8
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccc(O)cc2)C1,CHEMBL1910853,9.12
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(Oc2cccc(O)c2)CC1,CHEMBL1910854,8.64
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2O)C1,CHEMBL1910855,7.96
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,CHEMBL1910856,9.795
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(OCc2cccc(O)c2)C1,CHEMBL1910857,9.74
+NC(=O)C(CCC1(N2CC(Oc3cccc(O)c3)C2)CCCC1)(c1ccccc1)c1ccccc1,CHEMBL1910858,9.14
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccc(Cl)c(O)c2)C1,CHEMBL1910859,8.7
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2cc(O)cc(F)c2)C1,CHEMBL1910860,9.25
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccc(Cl)c(O)c2)C1,CHEMBL1910861,8.72
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)cc(Cl)c2)C1,CHEMBL1910862,9.66
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)cc(F)c2)C1,CHEMBL1910863,9.22
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)c(Cl)cc2Cl)C1,CHEMBL1910864,8.14
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2F)C1,CHEMBL1910865,9.69
+CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)ccc2F)C1,CHEMBL1910866,9.15
+C=CCCCC[N@+]1(C)C2CCC1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,CHEMBL2023764,9.8
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,6.18
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,6.69
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,6.29
+CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042554,7.14
+CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042553,8.82
+CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042552,8.66
+C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042551,4.67
+C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1,CHEMBL2042407,5.05
+C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042406,7.21
+C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042405,8.83
+C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1,CHEMBL2042404,8.44
+C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1,CHEMBL2042403,4.5
+C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1,CHEMBL2042402,5.01
+CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042401,4.09
+CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1,CHEMBL2042400,4.75
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,5.64
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,6.68
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,6.39
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.76
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,6.27
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,5.79
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.76
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,5.91
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.44
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.47
+CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312352,5.31
+CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312361,5.55
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1,CHEMBL2312376,4.51
+CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1,CHEMBL2312389,5.39
+CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1,CHEMBL1180343,5.86
+CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12,CHEMBL1187846,8.19
+Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N,CHEMBL12098,6.15
+CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL17045,5.68
+Clc1cc(Cl)cc(N2CCNCC2)c1,CHEMBL2335158,5.1
+CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1,CHEMBL1191560,6.61
+CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377383,9.27
+OC(CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2,CHEMBL3085495,8.23
+CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1,CHEMBL37372,7.28
+CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1,CHEMBL2377269,8.08
+CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1,CHEMBL2377268,7.95
+CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1,CHEMBL2377267,8.18
+CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2106570,8.37
+CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1,CHEMBL2110892,6.73
+CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1,CHEMBL2377262,6.96
+CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C,CHEMBL2377261,7.23
+CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1,CHEMBL2377392,8.22
+CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C,CHEMBL2377388,6.6
+CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL2377387,8.51
+CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377385,6.57
+C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1,CHEMBL2377384,6.42
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,7.18
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.77
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,6.33
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,5.67
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,5.67
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,5.89
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,5.75
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,5.98
+COC(C(=O)O[C@@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1cccs1)c1cccs1,CHEMBL3091666,8.8
+CC(C(=O)O[C@@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1cccs1)c1cccs1,CHEMBL3091665,10.3
+C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3091664,10.2
+C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(CO)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3091670,9.5
+C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3091669,8.3
+C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3091668,8.7
+C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3091667,9.8
+CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2,CHEMBL2449003,9.57
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.42
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O,CHEMBL3219031,9.41
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1O,CHEMBL3219032,8.66
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1O,CHEMBL3219033,8.43
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O,CHEMBL3219034,7.74
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(F)cc3O)CC2)ccc1O,CHEMBL3219035,7.59
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cccc(F)c3O)CC2)ccc1O,CHEMBL3219036,8.0
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)cc(F)c3O)CC2)ccc1O,CHEMBL3219038,7.66
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(O)cc(F)c3)CC2)ccc1O,CHEMBL3219039,7.12
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(F)c3)CC2)ccc1O,CHEMBL3219040,8.3
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)c(O)cc3F)CC2)ccc1O,CHEMBL3219041,8.08
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219042,9.14
+Cc1ccc(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1,CHEMBL3219043,8.32
+Cc1ccc(-c2ccc(O)c(Cl)c2)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c1,CHEMBL3219044,8.7
+Cc1cc(C)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1,CHEMBL3219045,7.42
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219046,8.96
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3cc(F)ccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219047,8.36
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219048,8.96
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219049,8.7
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O,CHEMBL3219050,8.36
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O,CHEMBL3219051,8.04
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@H]3C[C@@]3(COC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O,CHEMBL3219052,8.37
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@@H]3[C@@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@@H]3C2)ccc1O,CHEMBL3219053,8.89
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C3CCC2CC(OC(=O)Nc2ccccc2-c2ccc(O)c(Cl)c2)C3)ccc1O,CHEMBL3219054,8.05
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(OCCN3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O,CHEMBL3219055,7.44
+CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(OCCCN3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O,CHEMBL3219056,8.51
+C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL3289390,8.68
+C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL3289391,7.55
+C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,CHEMBL1724,8.59
+CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,CHEMBL3354065,5.92
+CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354066,7.03
+CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354067,8.33
+CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354068,9.1
+CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354069,8.96
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354070,8.0
+CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,CHEMBL3354071,7.35
+O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1,CHEMBL3354072,4.93
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,CHEMBL3354073,5.72
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,CHEMBL3354074,6.2
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1,CHEMBL3354075,6.7
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1,CHEMBL3354076,6.24
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1,CHEMBL3354077,6.47
+CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1,CHEMBL143469,8.54
+O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1,CHEMBL3354078,7.24
+C[N+](C)(C)C[C@@H]1COCCO1,CHEMBL3309718,4.57
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,CHEMBL387632,4.87
+CC1OC2(CS1)CN1CCC2CC1,CHEMBL168815,5.59
+COc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426708,8.7
+COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3426707,8.1
+O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1,CHEMBL3426706,9.0
+Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3426705,9.7
+COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426704,9.2
+COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426703,9.5
+CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1,CHEMBL3426702,9.1
+Cc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426701,8.5
+COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426700,8.2
+O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1,CHEMBL3426699,9.2
+C[N+]1(C)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12,CHEMBL1182657,10.5
+O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)N[C@H]1CC[C@H](CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,CHEMBL3426698,9.5
+O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426697,10.0
+COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3426696,9.5
+COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C,CHEMBL3426695,9.3
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+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1,CHEMBL3645298,10.0
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+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1,CHEMBL3645300,10.0
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+Cc1ccc(C(=O)Nc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645302,9.7
+C[C@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645303,9.7
+C[C@@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645304,9.7
+CC(Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645305,10.0
+Cc1ccc(C(=O)Nc2ccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645306,9.52
+C[C@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645307,9.7
+C[C@@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645308,10.0
+CC(Cc1cccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645309,10.0
+Cc1ccc(C(=O)NCc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645310,9.7
+CC(Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645311,10.0
+Cc1ccc(C(=O)NCc2ccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645312,9.7
+C[C@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645313,9.52
+C[C@@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645314,10.0
+C[C@H](Cc1cccc(CNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645315,9.4
+C[C@@H](Cc1cccc(CNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645316,9.7
+CC(Cc1cccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645317,9.7
+CC(Cc1ccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645318,10.0
+COc1ccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1CC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645319,9.7
+C[C@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645320,9.7
+C[C@@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645321,9.7
+C[C@H](Cc1ccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645322,10.0
+C[C@@H](Cc1ccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645323,9.7
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1,CHEMBL3645324,10.0
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+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1,CHEMBL3645327,10.0
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1,CHEMBL3645328,10.0
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3645329,9.52
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1,CHEMBL3645330,10.0
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+C[C@H](Cc1cccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645332,10.0
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+Cc1c(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cccc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645335,10.0
+COc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645336,9.4
+CC(Cc1cc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645337,9.7
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1,CHEMBL3645338,9.52
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1,CHEMBL3645339,9.7
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1,CHEMBL3645340,9.52
+CC(Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645341,10.0
+C[C@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645342,9.52
+C[C@@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645343,10.0
+CC(Cc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645344,9.7
+COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645345,10.0
+COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645346,10.0
+COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645347,9.7
+CC(Cc1cc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645348,10.0
+CC(Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645349,9.7
+C[C@@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645350,9.7
+CC(Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645351,10.0
+C[C@@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645352,10.0
+C[C@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3639442,10.0
+CC(Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645353,9.7
+C[C@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645354,9.7
+C[C@@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645355,9.1
+COc1ccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1CC(=O)NCc1ccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1,CHEMBL3645356,10.0
+CC(Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645357,9.7
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)CCc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1,CHEMBL3645358,10.0
+CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645362,10.0
+C[C@@H](Cc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645360,10.0
+CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645363,10.0
+CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1,CHEMBL3645364,10.0
+Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3645361,9.7
+C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3645365,10.0
+CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1,CHEMBL3666066,10.0
+C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1,CHEMBL3666067,10.0
+Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,CHEMBL3666068,10.0
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764557,6.0
+Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1,CHEMBL3775197,5.66
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C,CHEMBL3775589,5.9
+Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C,CHEMBL3775226,6.61
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,CHEMBL3774411,5.96
+Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1,CHEMBL3774769,6.32
+Cn1c(SCCCN2CC3CCN(c4ccccc4)C3C2)nnc1C1CCOCC1,CHEMBL3774649,5.84
diff --git a/chembl_200/CHEMBL2468.csv b/chembl_200/CHEMBL2468.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1e42aa28b1d8d0b0dfb1ba8594a48a3add989efc
--- /dev/null
+++ b/chembl_200/CHEMBL2468.csv
@@ -0,0 +1,339 @@
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.4
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,7.53
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,5.4
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.7
+Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1,CHEMBL573339,6.1
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.2
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,5.3
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.4
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,7.1
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.5
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,7.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.2
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.3
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.8
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.4
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,6.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.3
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.1
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.2
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,7.2
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,7.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.1
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.7
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.9
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.8
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.8
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.5
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.2
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.5
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.3
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.2
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.7
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,7.7
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.6
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.8
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.95
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,6.8
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.5
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.9
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,6.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,7.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.5
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.3
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.7
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,7.0
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.4
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.1
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.7
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.2
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,6.0
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.8
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,8.4
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,6.8
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.1
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,6.4
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.0
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.8
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,6.7
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.1
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,6.0
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.9
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.9
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,7.4
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,6.4
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.9
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,6.1
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.3
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,7.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.6
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.8
+Cc1nn(C)c(C)c2cc([N+](=O)[O-])cc1-2,CHEMBL1999632,5.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.6
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,5.3
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,5.7
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.4
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.1
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.0
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.5
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.7
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.3
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,5.9
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,6.1
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.3
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,5.2
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.4
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,6.3
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,7.5
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.9
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,7.0
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.9
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,7.3
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,6.3
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.3
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.0
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,6.6
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.0
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.6
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,7.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.1
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.1
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.8
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.6
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.2
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.1
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,7.8
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.5
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.5
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.9
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.9
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.3
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.6
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.8
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.2
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.2
+Cn1c(N)nc2sc(C(N)=O)cc21,CHEMBL2002802,5.0
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,6.3
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,7.4
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,6.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.6
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.3
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.1
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.6
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.5
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.9
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,5.4
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.1
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,7.4
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.1
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,5.3
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.6
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.2
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,5.4
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.9
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.2
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,6.0
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.4
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.6
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.4
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.2
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.3
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,7.6
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.1
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,7.8
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.6
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.1
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.2
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.9
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.5
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,7.1
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.1
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,7.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.0
+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,5.4
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.0
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.3
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.2
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.2
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,7.6
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.9
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.8
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.0
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.0
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.6
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.0
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,7.3
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,5.7
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.8
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.7
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.3
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,7.0
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.7
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.1
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,8.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.7
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.9
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,9.0
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.2
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.4
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.0
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,6.0
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.1
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.4
+COc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1[nH]nc2ccc(Cc3cc(F)cc(F)c3)cc12,CHEMBL1973961,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,6.6
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.1
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.4
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.6
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,7.2
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.3
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.9
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,6.0
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.8
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.6
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,7.8
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.5
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.9
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,6.7
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1,CHEMBL1991577,6.7
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.5
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.6
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,5.7
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.1
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,5.9
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.2
+COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,CHEMBL1982167,6.0
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.5
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,7.7
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,7.4
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.4
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.2
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,6.0
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,7.4
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.9
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.1
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.0
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.5
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.3
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,7.8
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,7.3
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.3
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.5
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,5.0
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.4
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.7
+O=c1sn(-c2ccc3c(c2)OCO3)c(=O)n1Cc1ccccc1,CHEMBL1984632,5.5
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.3
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.2
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.2
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.9
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,6.1
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.0
+Nc1ncnc2sccc12,CHEMBL1972934,4.8
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,6.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.8
+COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1,CHEMBL1972937,6.6
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.9
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,6.0
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.4
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.1
+COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,CHEMBL235157,5.4
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,6.3
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.0
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.2
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.2
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,6.6
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.3
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,8.6
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.5
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.5
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.7
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,6.6
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.1
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,7.0
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.8
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.7
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.6
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.8
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,6.9
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,6.9
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.7
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.5
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,8.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,8.1
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,6.3
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.0
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.9
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.9
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.6
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.4
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.8
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,7.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,6.9
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.7
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,5.5
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.6
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.4
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,7.3
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.1
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,6.8
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.6
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.6
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.1
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.7
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,7.2
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,6.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,7.3
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.2
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.5
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.7
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.3
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,6.6
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,6.8
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,6.0
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,5.7
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.4
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.4
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.8
diff --git a/chembl_200/CHEMBL2470.csv b/chembl_200/CHEMBL2470.csv
new file mode 100644
index 0000000000000000000000000000000000000000..aaf44000101db9e90816cceb809b561446588e1a
--- /dev/null
+++ b/chembl_200/CHEMBL2470.csv
@@ -0,0 +1,345 @@
+CCCCCc1cc2c(c3c1CCCO3)C1CC=CC[C@H]1C(C)(C)O2,CHEMBL113247,6.89
+C=C1CC[C@@H]2C(C1)c1c(cc(CCCCC)c3c1OCCC3)OC2(C)C,CHEMBL114078,6.7
+CCCCCc1cc2c(c3c1CCCO3)C1CC(=O)CC[C@H]1C(C)(C)O2,CHEMBL109758,7.64
+CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NCCO,CHEMBL440338,6.22
+CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)CO,CHEMBL122195,6.26
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC(CO)CO,CHEMBL122972,7.0
+CCCCC/C=C\C[C@@H](O)/C=C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL121778,6.3
+CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO,CHEMBL121779,6.15
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL15848,6.44
+Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL188,8.115
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL476833,5.38
+COc1cc(C(O)c2cccs2)cc(OC)c1-c1cc(Cl)cc(Cl)c1,CHEMBL1076680,9.57
+COc1cc(C(=O)c2cccs2)cc(O)c1-c1cc(Cl)cc(Cl)c1,CHEMBL1081609,8.63
+CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2010909,6.48
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)O2)C3)sc2c1CCOC2,CHEMBL2010908,6.31
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2,CHEMBL2010907,7.7
+CCCNC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCOC2,CHEMBL2010906,6.57
+CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCOC2,CHEMBL2010905,8.36
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCN(C)C2,CHEMBL2010904,8.23
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2,CHEMBL2010902,8.45
+O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CC(F)(F)C1,CHEMBL2010900,7.33
+COCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010899,6.58
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010898,7.47
+CCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010897,6.53
+CCN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1,CHEMBL2057795,7.8
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@@H]3CCOC3)c2n1,CHEMBL2057803,7.62
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H]3CCOC3)c2n1,CHEMBL2057804,7.08
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@H]2Cc1ccccc1,CHEMBL2163929,8.33
+CC(C)C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163928,7.99
+CC(C)[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163927,7.71
+CC(C)[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163926,8.76
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163580,7.01
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163579,8.21
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163578,6.69
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163577,8.22
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163576,7.07
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163575,7.28
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163574,6.6
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163573,7.52
+CCC1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163572,7.21
+CCC1COc2c(N3CCCC3)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163571,7.98
+CCC1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163948,8.04
+CCC1COc2c(F)c(F)cc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163947,7.43
+CCC1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163946,8.02
+CC1(C)COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163945,7.17
+CC(C)C1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163944,8.37
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163943,7.99
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163942,8.45
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163941,7.74
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163940,7.88
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163939,7.37
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(C)(CC(C)(C6)C4)C5)cn1c23,CHEMBL2163938,7.97
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163937,8.56
+CCCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163935,8.74
+CCC1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23,CHEMBL2163934,6.98
+CCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23,CHEMBL2163933,6.49
+CCC1COc2cccc3c(=O)c(C(=O)Nc4ccncc4)cn1c23,CHEMBL2163932,6.74
+CCC1COc2cccc3c(=O)c(C(=O)NC(C)CCC(C)C)cn1c23,CHEMBL2163931,6.71
+CCC1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23,CHEMBL2163930,7.79
+CCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL1814463,7.87
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163964,7.94
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163963,7.62
+CC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163962,7.26
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163961,7.28
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163960,7.19
+Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3C(c1ccccc1)CO2,CHEMBL2163958,7.6
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC56CC7CC(CC(C7)C5)C6)cn2c34)cc1,CHEMBL2163957,6.32
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1,CHEMBL2163956,6.26
+CC1Oc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn(c23)C1c1ccccc1,CHEMBL2163954,6.35
+CC1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)C1c1ccccc1,CHEMBL2163953,6.15
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn4c5c(cccc5c1=O)OCC4c1ccccc1)(C3)C2,CHEMBL2163952,7.34
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163951,7.74
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163950,7.83
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163949,7.71
+O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163965,6.96
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1c(F)cccc1C(F)(F)F,CHEMBL2205593,6.2
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205592,5.34
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205591,6.23
+COC1CN(C(=O)c2c(NC(=O)c3ccccc3C(F)(F)F)sc3c2CCOC3)C1,CHEMBL2205588,5.51
+COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2205584,5.77
+COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2205620,5.6
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205616,5.67
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205615,5.79
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL2316262,8.32
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12,CHEMBL2316261,7.68
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc21,CHEMBL2316259,8.37
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc21,CHEMBL2316284,8.9
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21,CHEMBL2316283,8.08
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21,CHEMBL2316282,7.83
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc21,CHEMBL2316281,7.59
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21,CHEMBL2316280,7.3
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21,CHEMBL2316279,7.42
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(-c3ccc(Cl)cc3)nn(C)c21,CHEMBL2316278,5.39
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(-c3ccc(Cl)cc3)nn(C)c21,CHEMBL2316277,5.3
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21,CHEMBL2316274,7.88
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316273,6.89
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316272,6.6
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316271,6.38
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316270,5.39
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21,CHEMBL2316269,7.01
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c21,CHEMBL2316268,6.29
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316267,5.35
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316264,6.13
+CCCCCn1cc(C(=O)NC(C)CCC(C)C)c(=O)c2c(C)nn(C)c21,CHEMBL2316301,6.58
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316300,7.78
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316299,7.94
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316298,7.46
+CCCCCn1cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316297,7.93
+CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316296,7.88
+CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316295,6.29
+Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1,CHEMBL2316292,5.96
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316291,6.32
+CCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316287,6.23
+CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316286,6.84
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316285,7.0
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(-c3ccc(OC)cc3)c12,CHEMBL2381783,6.36
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(-c3ccccc3)c12,CHEMBL2381782,6.67
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(Br)c12,CHEMBL2381781,6.57
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)s3)cc12,CHEMBL2381780,7.91
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3cc(C)cs3)cc12,CHEMBL2381779,7.74
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3cccs3)cc12,CHEMBL2381778,8.12
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccoc3)cc12,CHEMBL2381777,7.91
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381674,8.29
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381673,8.14
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381672,7.98
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3c(Cl)cccc3Cl)cc12,CHEMBL2381671,6.96
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381800,7.46
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381799,7.4
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381798,7.22
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381797,8.38
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381796,8.19
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381795,7.24
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381794,8.2
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381793,7.91
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381792,7.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381791,8.42
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381790,7.88
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381789,7.21
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2381788,8.49
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2380327,8.02
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2381787,7.32
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381786,8.56
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381785,7.46
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381784,7.3
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381812,8.26
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381811,8.12
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381810,7.85
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12,CHEMBL2381809,9.02
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381808,8.25
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381807,7.94
+CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12,CHEMBL2381806,6.92
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12,CHEMBL2381805,6.37
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12,CHEMBL2381804,7.82
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381803,7.91
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381802,7.59
+Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL2381801,8.12
+CCc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1,CHEMBL3092889,7.22
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C)n(C3CCOCC3)c2n1,CHEMBL3092888,7.06
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C3CC3)n(C3CCOCC3)c2n1,CHEMBL3092887,7.66
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C(F)(F)F)n(C3CCOCC3)c2n1,CHEMBL3092903,7.39
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1,CHEMBL3092901,7.422999999999999
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CC2CCOCC2)CC1,CHEMBL3092900,7.64
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1,CHEMBL3092897,7.71
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1,CHEMBL3092896,7.06
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCN3CCCC3=O)c2n1,CHEMBL3092895,6.34
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN4C(=O)CCC4C3)nc(C)nc21,CHEMBL3092893,7.39
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(C(C)=O)CC3)nc(C)nc21,CHEMBL3092892,7.4
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(CCF)CC3)nc(C)nc21,CHEMBL3092891,7.8
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CCOC)CC1,CHEMBL3092908,7.97
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCO)c2n1,CHEMBL3092907,7.32
+CCN1CCN(c2nc(C)nc3nc(-c4ccccc4Cl)[nH]c23)CC1,CHEMBL3092906,8.37
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C)CC1,CHEMBL3092905,8.09
+Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL381689,9.22
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL138921,5.0
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC1CC1,CHEMBL418353,6.15
+CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1,CHEMBL3234681,7.92
+Cc1c2n(c(=O)c3cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c13)CCCC2,CHEMBL3234708,8.62
+Cn1c(C2(C)CC2)c/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)n1C[C@H]1CCCO1,CHEMBL3234698,8.36
+CC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21,CHEMBL495528,6.62
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650079,8.72
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1N/N=C\c1cccc(C)n1,CHEMBL3650080,7.7
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)OC(C)(C)C,CHEMBL3650081,8.64
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650082,8.03
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)C,CHEMBL3650083,9.1
+CCCCn1nc(C2(C)CC2)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650084,8.6
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CC1CC1,CHEMBL3650085,7.85
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCCCO1,CHEMBL3650086,9.15
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1/N=N/C(C)(C)C,CHEMBL3650087,7.82
+CCCCn1/c(=N\C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)cc(C(C)(C)C)n1C,CHEMBL3650088,8.26
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)(C)C,CHEMBL3650089,6.55
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC#N,CHEMBL3650090,8.92
+CC(C)Cn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650091,7.51
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@H]1CCCO1,CHEMBL3650092,8.49
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)=O,CHEMBL3650093,9.0
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CC1CCC1,CHEMBL3650094,7.85
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CCC(F)(F)F,CHEMBL3650095,8.0
+CCCCn1ccc(C(C)(C)C)c/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650096,8.03
+COCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650097,8.44
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)C)cc(C(C)(C)C)n1C,CHEMBL3650098,8.28
+CCCCn1cc(C(C)(C)C)cc/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650099,8.23
+Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(C#N)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650100,7.96
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1ONC(C)(C)C,CHEMBL3650101,9.22
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CC1,CHEMBL3650102,8.52
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC(F)(F)F,CHEMBL3650103,9.52
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCC1,CHEMBL3650104,9.1
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C(C)(C)C,CHEMBL3639489,7.37
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C(C)C,CHEMBL3650105,8.28
+Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(Cl)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650106,7.68
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)C(C)(C)C,CHEMBL3650107,9.22
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1ONC(C)(C)C,CHEMBL3650108,8.2
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ON(C)C,CHEMBL3650109,8.31
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(F)(F)F,CHEMBL3650110,7.22
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCCF,CHEMBL3650111,8.96
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C(C)C,CHEMBL3650112,8.54
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\CC)C(=O)ON,CHEMBL3650113,8.77
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCO1,CHEMBL3650114,8.14
+C/C(=N\Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\cc(C(C)(C)C)n(C)n1C[C@H]1CCCO1)C(F)(F)F,CHEMBL3650115,7.4
+C/C(=N\Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\cc(C(C)(C)C)n(C)n1CC1CC1)C(F)(F)F,CHEMBL3650116,6.54
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)=O,CHEMBL3650117,7.96
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC(C)(C)C,CHEMBL3650118,8.77
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccc(F)cc1,CHEMBL3650119,8.15
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNc1ccccn1,CHEMBL3650120,8.25
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(C)N(C)C(=O)OC(C)(C)C,CHEMBL3650121,7.46
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)=N,CHEMBL3650122,8.44
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)CC,CHEMBL3650123,8.57
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NN=C(C)C,CHEMBL3650124,6.92
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C1CC1,CHEMBL3650125,9.05
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC1=NCCCCC1,CHEMBL3650126,8.31
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C1CCCC1,CHEMBL3650127,8.49
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1,CHEMBL3650128,9.05
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC,CHEMBL3650129,9.15
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)C(C)(C)C,CHEMBL3650130,9.3
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2O/N=C(\C)C(F)(F)F)cc(C(C)(C)C)n1C,CHEMBL3650131,7.4
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccccn1,CHEMBL3650132,8.39
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1,CHEMBL3650133,9.15
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)C(C)(C)C)cc(C(C)(C)C)n1C,CHEMBL3650134,8.77
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2cccnc2)cc(C(C)(C)C)n1C,CHEMBL3650135,8.66
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2ccncc2)cc(C(C)(C)C)n1C,CHEMBL3650136,8.89
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(N)=O,CHEMBL3650137,8.28
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNCc1ccccc1,CHEMBL3650138,7.44
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccncc1,CHEMBL3650139,7.48
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1cccnc1,CHEMBL3650140,7.89
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(/N=C/c1cccc(C)n1)C(=O)OC(C)(C)C,CHEMBL3650141,7.37
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)sc2ccncc21,CHEMBL3647321,7.14
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OC1CC1,CHEMBL3647314,8.96
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCN1,CHEMBL3647313,7.89
+CCCCn1c(C(=O)OC)c(C(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C,CHEMBL3647336,7.32
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCN1CCCC1,CHEMBL3647306,7.92
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCC1CCOC1,CHEMBL3647307,8.62
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647322,9.02
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCn1ccnc1,CHEMBL3647305,7.41
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCN1C,CHEMBL3647308,8.11
+CC(C)(C)c1cn(CCC(F)(F)F)/c(=N/C(=O)c2cc(C#N)ccc2OC2CCC2)s1,CHEMBL3647316,8.96
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCO,CHEMBL3647318,9.82
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCN1C,CHEMBL3647304,7.74
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC1CCO1,CHEMBL3647303,8.28
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ccncc21,CHEMBL3647320,8.03
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ncccc21,CHEMBL3639461,7.55
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC1(O)CCC1,CHEMBL3647310,7.49
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21,CHEMBL3647327,7.2
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1ccccc1OC[C@@H]1CCCN1C,CHEMBL3647309,6.61
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1,CHEMBL3647335,8.64
+CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CCCC(F)(F)F,CHEMBL3647326,8.0
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCN1C,CHEMBL3647311,7.59
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC(N)=O,CHEMBL3647301,8.96
+CC(=O)OCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC(C)C,CHEMBL3647317,8.85
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCC(C)(C)O,CHEMBL3647331,8.92
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1ccco1,CHEMBL3647302,8.06
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ccncc21,CHEMBL3647328,8.6
+C=C=CCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647330,8.77
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O[C@H]1CCN(C)C1,CHEMBL3647312,7.09
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC(C)(C)O)sc2ccncc21,CHEMBL3647319,7.32
+CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CC1CCC1,CHEMBL3647325,8.13
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C#N)ccc1OC1CCC1,CHEMBL3647315,8.28
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1,CHEMBL3647334,9.11
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Br)ccc1OC[C@@H]1CCCN1C,CHEMBL3647300,7.72
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2C)sc2ccncc21,CHEMBL3647332,7.46
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ncccc21,CHEMBL3647333,8.68
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCNC(C)=O)sc2ccncc21,CHEMBL3647324,8.44
+C#CCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647329,9.12
+Cc1s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2C)n(CC2CC2)c1C,CHEMBL3647323,7.46
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCCN2)s1,CHEMBL3686284,7.85
+CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N/O,CHEMBL3686321,8.09
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\scc(C(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3686316,7.82
+CC(C)(C)c1cn(CC2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ON=C2CCCC2)s1,CHEMBL3686332,8.92
+CC(=O)/C(C)=N/Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686333,8.62
+CN1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686283,8.35
+Cn1cncc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686320,7.89
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccn2)s1,CHEMBL3234699,8.22
+COCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1,CHEMBL3686305,7.85
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnccn2)s1,CHEMBL3686290,8.3
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2S(C)(=O)=O)s1,CHEMBL3686310,8.52
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccc[n+]2[O-])s1,CHEMBL3686336,7.29
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccnc2)s1,CHEMBL3686291,8.0
+CC(C)(C)c1cn(C[C@@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](N)CO)s1,CHEMBL3686298,8.55
+CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1/sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686304,9.52
+CC(C)N1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686309,7.68
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCCN2)s1,CHEMBL3686334,9.22
+C/C(=N/Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)C(F)(F)F,CHEMBL3686330,8.32
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCNCCO)s1,CHEMBL3686317,8.0
+CC(C)(C)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686303,8.77
+CN1CC[C@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686297,7.08
+CN1CC[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686296,7.54
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCC[N+]2(C)[O-])s1,CHEMBL3639852,7.92
+CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686322,8.39
+C[C@@H](O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686331,9.3
+CN1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686285,7.72
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=S)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686311,9.05
+CN1CCC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)CC1,CHEMBL3686288,7.08
+CCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686308,8.07
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)s1,CHEMBL3686292,9.3
+CN1C[C@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686314,8.82
+CC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686323,9.52
+CN1CCN(C)[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686337,7.89
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2nccs2)s1,CHEMBL3686302,8.6
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686294,8.47
+CC(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686329,9.3
+CN(CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)c1ccccc1,CHEMBL3686299,8.19
+CN1C(=O)CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686306,8.48
+CC(=O)N1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686338,7.62
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)n2cccc2)s1,CHEMBL3686325,8.18
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccn[nH]2)s1,CHEMBL3686315,8.29
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)s1,CHEMBL3686293,9.52
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC/N=C/OC2CCCCO2)s1,CHEMBL3686340,8.18
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2)s1,CHEMBL3686307,8.7
+CC(C)(O)CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686339,9.3
+Cn1ccnc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686289,7.82
+CCN(CC)Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686328,8.34
+CN1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686335,8.85
+CN1CC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686286,7.77
+CN1CCC[C@H]1COc1ccc(C#N)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686318,8.03
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)s1,CHEMBL3686300,8.54
+C/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686324,9.3
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCN2)s1,CHEMBL3686281,7.82
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCN2)s1,CHEMBL3686282,8.52
+CN1C[C@@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686312,8.44
+CC(=O)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686326,8.6
+C/C(CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686327,7.19
+CN1CC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686287,7.55
+CN1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686313,8.09
+CN1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686295,7.15
+CC(C)(C)CO/C=N/CCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686343,8.77
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnco2)s1,CHEMBL3686301,8.05
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CNCCO2)s1,CHEMBL3686319,8.29
+O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccccc1O,CHEMBL3686341,9.05
diff --git a/chembl_200/CHEMBL248.csv b/chembl_200/CHEMBL248.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c7bb7239077f2497020013d7ae074463e2cc5d47
--- /dev/null
+++ b/chembl_200/CHEMBL248.csv
@@ -0,0 +1,739 @@
+CCC(C)Nc1nc2ccccc2c(=O)o1,CHEMBL146327,7.37
+CC(C)Nc1nc2ccccc2c(=O)o1,CHEMBL430432,7.28
+CCCCNc1nc2cccc(C)c2c(=O)o1,CHEMBL143333,7.64
+CNc1nc2ccccc2c(=O)o1,CHEMBL10625,5.16
+Nc1nc2ccccc2c(=O)o1,CHEMBL268763,4.2
+CCCCCCNc1nc2ccccc2c(=O)o1,CHEMBL334936,5.44
+CCc1cccc2nc(NC(C)C)oc(=O)c12,CHEMBL145550,9.03
+CCCCNc1nc2ccccc2c(=O)o1,CHEMBL79973,7.08
+CCN(CC)c1nc2ccccc2c(=O)o1,CHEMBL344690,6.515
+CCNc1nc2cccc(C)c2c(=O)o1,CHEMBL142781,7.47
+CCCNc1nc2ccccc2c(=O)o1,CHEMBL343478,7.04
+CCCCNc1nc2cccc(CC)c2c(=O)o1,CHEMBL143431,8.38
+CNc1nc2cccc(C)c2c(=O)o1,CHEMBL141877,4.51
+Cc1cccc2nc(NC(C)C)oc(=O)c12,CHEMBL10756,8.82
+CCCNc1nc2cccc(C)c2c(=O)o1,CHEMBL343250,8.22
+CCc1cccc2nc(N)oc(=O)c12,CHEMBL146219,5.29
+CCNc1nc2ccccc2c(=O)o1,CHEMBL144918,7.29
+O=c1oc(-c2ccccc2)nc2ccccc12,CHEMBL24449,5.02
+CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3cnc(CNC4CC4)cn3)[C@@H]12,CHEMBL543416,10.85
+CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)C3CN(CC(C)(C)C)C3)[C@@H]12,CHEMBL554013,8.76
+CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3coc(CN4CCCC4)n3)[C@@H]12,CHEMBL542949,9.8
+CC(C)COc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL298402,7.29
+CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(O)c1CCCC,CHEMBL54524,4.03
+CCCCc1c(C(CCCC)C(=O)c2ccccc2)oc(=O)c(CCCC)c1O,CHEMBL54748,4.02
+CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cc(C)cc1C2=O,CHEMBL43983,5.72
+CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cccc1C2=O,CHEMBL40878,5.12
+CCCCCCc1ccc2c(c1OC(=O)OCCCC)C(=O)c1c(OC(=O)OCCCC)cccc1C2=O,CHEMBL44123,6.37
+O=C(OCc1ccccc1)C1=C(c2ccccc2)S[C@@H]2CC(=O)N12,CHEMBL76180,5.32
+O=C(OCc1ccccc1)C1=C(Cc2ccccc2)S[C@@H]2CC(=O)N12,CHEMBL430994,5.0
+CC1=C(C(=O)OCc2ccccc2)N2C(=O)CC2S1=O,CHEMBL2115522,4.4
+C/C=C1\NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)C(C)C)CCCNC(=O)Nc3cc(O)c(O)cc3C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,CHEMBL437538,7.92
+O=c1oc(-c2ccco2)nc2ccccc12,CHEMBL24450,5.75
+CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CS(=O)(=O)c3ccccc3)CS(=O)(=O)C12,CHEMBL313480,6.66
+COCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC)C2S(=O)(=O)C1,CHEMBL86006,5.8
+CC(C)C(NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,CHEMBL3085439,9.352
+CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1,CHEMBL10541,7.15
+CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(OC(=O)C(C)(C)C)c1,CHEMBL10222,7.15
+CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1,CHEMBL9923,6.7
+CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,CHEMBL267081,7.17
+CC(C)(CS(=O)(=O)c1ccc(OC(=O)C(C)(C)c2ccc(C(C)(C)C(=O)Oc3ccc(S(=O)(=O)CC(C)(C)C(=O)O)cc3)cc2)cc1)C(=O)O,CHEMBL56605,9.35
+CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,CHEMBL76688,6.7
+CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12,CHEMBL2368616,9.51
+CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL50974,9.52
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O,CHEMBL98422,9.57
+CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL299656,9.15
+COc1cc(OC)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O,CHEMBL319723,9.22
+CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL296159,8.7
+COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL432890,7.862999999999999
+COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL323545,7.84
+CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL298107,7.22
+O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1,CHEMBL50803,7.82
+Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL300307,7.49
+COc1ccc2c(c1OC)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL100620,8.7
+CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL50830,9.22
+O=C(O)COc1cc(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(OCc6ccccc6)c(Cc6cc(O)ccc6OCC(=O)O)cc5OCC(=O)O)cc4OCC(=O)O)cc3OCC(=O)O)cc2OCC(=O)O)c(OCc2ccccc2)cc1CO,CHEMBL267968,6.82
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)F,CHEMBL13923,7.21
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2CCOCC2)c1=O)C(=O)C(F)(F)F,CHEMBL14516,6.33
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)Cc2ccncc2)c1=O)C(=O)C(F)(F)F,CHEMBL109306,7.89
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(N)=O)c1=O)C(=O)C(F)(F)F,CHEMBL112410,7.37
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,CHEMBL354883,8.724
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2C(=O)O)c1=O)C(=O)C(F)(F)F,CHEMBL324343,7.74
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F,CHEMBL113409,7.41
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC=O)c1=O)C(=O)C(F)(F)F,CHEMBL66520,7.59
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2C(=O)CCC2=O)c1=O)C(=O)C(F)(F)F,CHEMBL325713,7.52
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+Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1,CHEMBL113187,8.39
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL431864,8.85
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL282694,8.74
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2cccc(C(=O)O)c2)c1=O)C(=O)C(F)(F)F,CHEMBL333835,8.32
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cc[n+]([O-])cc2)c1=O)C(=O)C(F)(F)F,CHEMBL112924,7.28
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(=O)C(F)(F)F,CHEMBL113014,7.82
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cccnc2)c1=O)C(=O)C(F)(F)F,CHEMBL324983,7.82
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1,CHEMBL307315,9.15
+COc1ccc(C(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1,CHEMBL68841,6.32
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2cccc(C(=O)O)c2)c1=O)C(=O)C(F)(F)F,CHEMBL424620,7.64
+CCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL325870,8.06
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccc(C(=O)O)cc2)c1=O)C(=O)C(F)(F)F,CHEMBL280916,8.24
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F,CHEMBL113129,7.47
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccncc2)c1=O)C(=O)C(F)(F)F,CHEMBL278222,7.8
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F,CHEMBL275043,8.1
+CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL279250,7.74
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL113358,8.15
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccc[n+]([O-])c2)c1=O)C(=O)C(F)(F)F,CHEMBL325503,7.28
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccc(C(=O)O)cc2)c1=O)C(=O)C(F)(F)F,CHEMBL113725,7.89
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11391,8.333
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F,CHEMBL323443,6.72
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(N)(=O)=O)c1=O)C(=O)C(F)(F)F,CHEMBL109396,7.15
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL304354,8.22
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL113148,7.82
+COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1,CHEMBL303165,8.08
+COC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL326238,7.82
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)CCc2ccccn2)c1=O)C(=O)C(F)(F)F,CHEMBL113110,8.16
+COC(=O)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL112335,7.1
+CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)c1,CHEMBL114868,8.03
+CC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL418841,7.24
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccn2)c1=O)C(=O)C(F)(F)F,CHEMBL113905,8.06
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F,CHEMBL111955,8.03
+CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)C2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL115817,7.7
+CC(SC(=O)c1cccs1)C(=O)NC1CCSC1,CHEMBL326073,5.86
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(C(C)(C)Cc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL276307,9.023
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)C2=O,CHEMBL114992,10.89
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1=O)C(=O)C(F)(F)F,CHEMBL303493,8.03
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)C(F)(F)F,CHEMBL428848,7.0
+CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL308415,8.52
+CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CN)C(C)C,CHEMBL110125,9.09
+CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNCc1ccccc1)C(C)C,CHEMBL108504,8.39
+COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)Oc3ccccc3)C(C)C)C(C)C)oc2c1,CHEMBL323030,9.19
+COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C,CHEMBL110344,7.44
+CC(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,CHEMBL2370419,8.72
+COC(=O)c1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(OC)cc3)C(C)C)C(C)C)nc2c1,CHEMBL107936,9.19
+CC(C)[C@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(=O)NCCc1ccccc1)C(C)C,CHEMBL320942,10.22
+CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C,CHEMBL2370425,7.37
+CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C,CHEMBL110400,8.47
+CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2ccccc2o1,CHEMBL108783,8.482000000000001
+COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C,CHEMBL79463,7.89
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNCc1ccccc1)C(C)C,CHEMBL323231,8.8
+COC(=O)c1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)nc2c1,CHEMBL111029,9.335
+CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,CHEMBL2370426,7.77
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CN)C(C)C,CHEMBL107993,6.89
+CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C,CHEMBL108477,9.46
+CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,CHEMBL417935,8.81
+COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)c2ccccc2)C(C)C)C(C)C)cc1,CHEMBL109949,8.19
+CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)c1cccnc1)C(C)C,CHEMBL106592,9.46
+CC(C)COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C,CHEMBL2370427,7.7
+CCCNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C,CHEMBL105981,8.05
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+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(N)=O)C(C)C,CHEMBL302961,9.42
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+CO[C@H]1C(=O)N2C(C(=O)N(CC(=O)O)Cc3ccccc3)=C(COC(C)=O)CS(=O)(=O)[C@H]12,CHEMBL435611,5.21
+CCC[C@@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1,CHEMBL311124,4.29
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,CHEMBL325041,5.64
+CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL13684,6.55
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(N(C)C)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL278912,7.72
+COc1ccc(Cn2c(=O)[nH]c3c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)ccc3c2=O)cc1,CHEMBL416159,7.0
+CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F,CHEMBL14223,5.57
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)[nH]c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL13863,7.82
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(Cc3cccc4ccccc34)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14177,7.59
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)NCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL275340,8.0
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL13937,6.8
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CCN3CCOCC3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL269448,6.48
+CC(C)C(NC(=O)Cn1ccc2c(=O)[nH]c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL275723,6.04
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(N)=O)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL13954,7.82
+CNC(=O)Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c3ccccc3)cc2c1=O,CHEMBL268005,7.66
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL273612,6.16
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(C(C)(C)Cc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14631,7.8
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CCN3CCOCC3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14293,8.08
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(C)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14115,8.0
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14064,7.38
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CC(=O)OC(C)(C)C)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14176,6.54
+CC(C)C(NC(=O)Cn1ccc2c(=O)n([C@H]3C[C@@H]3c3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL276181,6.64
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CCc3cccc4ccccc34)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL273486,7.68
+COC(=O)Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)ccc2c1=O,CHEMBL14128,6.31
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL276182,6.08
+CC(=O)Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)ccc2c1=O,CHEMBL13804,6.51
+COc1ccc(Cn2c(=O)[nH]c3c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c4ccccc4)cc3c2=O)cc1,CHEMBL14121,8.24
+COC(Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c3ccccc3)cc2c1=O)OC,CHEMBL13902,7.92
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(C)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL267800,6.21
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL13753,8.55
+CCOCCn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c3ccccc3)cc2c1=O,CHEMBL14165,8.12
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL13740,7.36
+CC(C)C(NC(=O)Cn1ccc2c(=O)n(CC(=O)c3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,CHEMBL14222,7.13
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL309645,6.47
+CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL433142,5.96
+CC(C)C(CC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C,CHEMBL312554,5.38
+CC(C)C(NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O)C(=O)C(F)(F)C(F)(F)F,CHEMBL309326,4.02
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL82381,7.74
+CC(C)C(NC(=O)C1CC(O)CN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL83858,6.92
+CC(C)C(NC(=O)[C@H]1CC(OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL315196,7.7
+CC(C)C(NC(=O)C1CCCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL80072,6.82
+CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(F)(F)C(F)(F)F)C(C)C,CHEMBL83770,4.39
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL310533,5.26
+CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL309412,6.62
+CC(C)C(NC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O)C(=O)C(F)(F)C(F)(F)F,CHEMBL83342,4.85
+CC(C)C(NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL312015,7.15
+CC(C)C(NC(=O)[C@H]1CCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL405979,7.47
+CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C,CHEMBL310800,5.01
+CC(C)C(NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL311756,7.0
+CC(=O)OC1CC(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)N(C(=O)[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C(C)C)C1,CHEMBL84035,7.4
+CC(C)C(NC(=O)Cn1c(-c2ccc(N)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11398,8.44
+COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(B2OC(C)(C)C(C)(C)O2)C(C)C)c1=O,CHEMBL267093,8.11
+CC(C)C(NC(=O)Cn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11070,7.14
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NS(=O)(=O)C2CCCCC2)c1=O)B1OC(C)(C)C(C)(C)O1,CHEMBL11099,9.68
+COc1ccc(-c2ncc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)cc1,CHEMBL11335,8.09
+CC(C)C(NC(=O)Cn1c(-c2ccc(NC(=O)C(F)(F)F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL274780,7.37
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCC(F)(F)F)c1=O)C(=O)C(F)(F)F,CHEMBL273449,7.4
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL10975,7.96
+CSC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL276174,7.64
+CC(C)C(NC(=O)Cn1c(-c2ccc(Cl)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11246,7.74
+CC(C)C(NC(=O)Cn1c(C2CCCCC2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11428,7.24
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F,CHEMBL11144,7.64
+COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL11336,7.4
+CC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL275558,7.7
+CC(C)c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C,CHEMBL11334,6.77
+CC(C)C(NC(=O)Cn1c(-c2ccc(N)cc2)ncc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F,CHEMBL274618,7.82
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccccn2)c1=O)C(=O)C(F)(F)F,CHEMBL276680,7.66
+CNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL274567,7.34
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(NC(=O)OC(C)(C)C)c1=O)C(=O)C(F)(F)F,CHEMBL274674,7.57
+CCNc1cnc(-c2cccs2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL415972,7.59
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)B1OC(C)(C)C(C)(C)O1,CHEMBL269181,8.21
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(N)c1=O)B1OC(C)(C)C(C)(C)O1,CHEMBL11113,8.31
+CC(C)C(NC(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL418707,7.77
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(NC(=O)OCC(F)(F)F)c1=O)C(=O)C(F)(F)F,CHEMBL275455,7.32
+CC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F,CHEMBL262956,6.57
+COC(=O)Nc1cnc(-c2cccs2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL11383,7.38
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F,CHEMBL11264,7.03
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(N)c1=O)C(=O)C(F)(F)F,CHEMBL11084,7.28
+CSC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL10869,7.8
+CC(C)C(NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL273981,7.38
+CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(NC=O)c1=O)C(=O)C(F)(F)F,CHEMBL10867,7.0
+Cc1cncc(C)c1COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(B2OC(C)(C)C(C)(C)O2)C(C)C)c1=O,CHEMBL442524,9.02
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11098,8.09
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11403,8.18
+CC(C)C(NC(=O)Cn1c(-c2cccnc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11032,7.48
+CC(C)C(NC(=O)Cn1c(-c2ccc(NC=O)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL11347,8.05
+CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NS(=O)(=O)C2CCCCC2)c1=O)C(=O)C(F)(F)F,CHEMBL274123,8.8
+CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL314218,10.52
+O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL274085,8.613
+O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1,CHEMBL329376,7.51
+CC(=O)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL51377,6.99
+CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL432049,9.96
+O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1c(F)cccc1F,CHEMBL89299,8.1
+CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL91944,10.22
+CC(C)(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL90730,7.59
+O=C(OCN1C(=O)c2c(-c3ccccc3)cccc2S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL421162,9.0
+COc1cccc(OC)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL88117,8.1
+O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1c(Br)cccc1Br,CHEMBL88975,8.07
+O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1c(C(F)(F)F)cccc1C(F)(F)F,CHEMBL85128,7.43
+Cc1cccc(C)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL89549,8.4
+CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(S(=O)(=O)N(C)CCN(C)C)c1Cl)S2(=O)=O,CHEMBL538776,11.0
+CC(=O)Nc1cccc(Cl)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL86364,7.74
+Cc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL90327,8.7
+Cc1cccc(C)c1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1,CHEMBL308881,7.74
+COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)cc1,CHEMBL66579,8.1
+CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cc(O)cc2S1(=O)=O,CHEMBL39165,8.35
+CCOP(=O)(OCC)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL41423,7.22
+CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cc(OC)cc2S1(=O)=O,CHEMBL41327,10.46
+CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)CC)cccc2S1(=O)=O,CHEMBL41881,10.15
+CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cccc2S1(=O)=O,CHEMBL288810,10.0
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c3cccc(C=O)c3nc-2c1O)C(=O)C(F)(F)F,CHEMBL424770,8.31
+CC(C)C(NC(=O)CN1CCc2c([nH]c3c(C(=O)O)cccc23)C1=O)C(=O)C(F)(F)F,CHEMBL174548,7.57
+COc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(O)c-3nc12,CHEMBL176397,7.77
+CC(C)C(NC(=O)Cn1ccc2c3cccc(C(N)=O)c3nc-2c1O)C(=O)C(F)(F)F,CHEMBL175259,6.14
+CC(C)c1cc2c3ccccc3nc-2c(O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C,CHEMBL367319,7.27
+CC(C)c1cc2c3cccc(C#N)c3nc-2c(O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C,CHEMBL173359,7.55
+CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c3cccc(C(=O)O)c3nc-2c1O)C(=O)C(F)(F)F,CHEMBL277905,7.89
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+COc1ccc(C(=O)N[C@H](C(=O)N2CCCC2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)cc1OC,CHEMBL56242,8.96
+CC(C)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C,CHEMBL56852,7.6
+CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)C(F)(F)F,CHEMBL59258,8.28
+CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N[C@H](C(=O)N2CCCC2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)c1,CHEMBL56042,7.22
+CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)c1cc2ccccc2cc1C(=O)O)C(C)C)C(=O)C(F)(F)F,CHEMBL55963,8.77
+COC(=O)c1ccc(C(=O)N[C@H](C(=O)N2CCCC2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)cc1,CHEMBL56713,8.74
+CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)C(F)(F)F,CHEMBL56469,9.06
+CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(C)C)C(=O)C(F)(F)F,CHEMBL56342,8.6
+CCCCOP(=O)(OCCCC)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL291271,7.77
+COP(=O)(OC)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL290189,7.0
+O=C1c2ccccc2S(=O)(=O)N1COP(=O)(Oc1ccccc1)Oc1ccccc1,CHEMBL288700,8.19
+O=C1c2ccccc2S(=O)(=O)N1COP(=O)(c1ccccc1)c1ccccc1,CHEMBL38479,7.52
+O=C1c2ccccc2S(=O)(=O)N1COP(=O)(OCc1ccccc1)OCc1ccccc1,CHEMBL290748,7.69
+CCCCP(=O)(CCCC)OCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL41874,7.62
+O=C(O)COc1cc(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(=O)O)cc4OCC(=O)O)cc3OCC(=O)O)cc2OCC(=O)O)c(OCc2ccccc2)cc1CO,CHEMBL217744,6.89
+CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)C2,CHEMBL412744,5.89
+COCCOCOc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)ccc6OCC(=O)O)cc5OCOCCOC)cc4OCC(=O)O)cc3OCOCCOC)cc2OCC(=O)O)c(OC)cc1C,CHEMBL215927,6.0
+COc1ccc(OCC(=O)O)c(Cc2cc(O)c(Cc3cc(OCC(=O)O)c(Cc4cc(O)c(Cc5cc(OCC(=O)O)c(Cc6cc(O)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL385442,5.89
+COc1ccc(OCC(=O)O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL215405,7.7
+COc1ccc(OCC(=O)O)c(Cc2cc(OCCCCCc3ccccc3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCCCCCc5ccccc5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCCCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL268343,7.77
+COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(=O)O)cc4OCc4ccccc4)cc3OCC(=O)O)cc2OCc2ccccc2)cc1OCC(=O)O,CHEMBL213783,6.7
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1)C(C)C)C(=O)C(F)(F)F,CHEMBL116606,8.4
+O=C(O)COc1cc(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(O)ccc4OCC(=O)O)cc3OCC(=O)O)cc2OCC(=O)O)c(OCc2ccccc2)cc1CO,CHEMBL216442,5.08
+COc1ccc(OCC(=O)O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,CHEMBL265335,7.0
+C[C@@H](O)[C@H]1C(=O)N2C/C(=C/C(=O)OC(C)(C)C)S[C@H]12,CHEMBL306859,5.4
+C[C@@H](O)[C@H]1C(=O)N2S/C(=C/C(=O)OC(C)(C)C)S[C@H]12,CHEMBL72889,5.82
+C[C@@H](O)[C@H]1C(=O)N2S/C(=C/C(=O)OC(C)(C)C)C[C@H]12,CHEMBL419820,5.49
+C[C@@H](O)[C@H]1C(=O)N2S/C(=C\C(=O)OC(C)(C)C)S[C@H]12,CHEMBL74813,4.92
+C[C@@H](OC(=O)Cc1ccccc1)[C@H]1C(=O)N2S/C(=C/C(=O)OC(C)(C)C)S[C@H]12,CHEMBL76445,6.4
+O=C1c2c(Br)cccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1,CHEMBL52118,7.82
+O=C1c2c(-c3ccccc3)cccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1,CHEMBL301744,7.1
+Cn1nnnc1SCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL297668,7.09
+CCOc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL299730,8.52
+CC(C)Oc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL50101,7.76
+O=C1c2ccccc2S(=O)(=O)N1CCl,CHEMBL299784,8.74
+O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1C1CCCCC1,CHEMBL53523,7.49
+Cn1cnnc1SCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL50526,6.61
+CC(C)c1cc(O)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O,CHEMBL162863,9.7
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCC(=O)O)c1Cl)C2=O,CHEMBL163414,10.96
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)C2=O,CHEMBL348965,10.96
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N(C)CCN(C)C)c1Cl)C2=O,CHEMBL164352,10.89
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O,CHEMBL435666,10.85
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)C1)C2=O,CHEMBL142960,10.48
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(C)C(=O)CC1)C2=O,CHEMBL142288,10.22
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O,CHEMBL142555,10.05
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Cl)C2=O,CHEMBL344750,10.18
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Br)C2=O,CHEMBL142579,10.24
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)OC1C)C2=O,CHEMBL143417,10.03
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)CC1)C2=O,CHEMBL357694,10.47
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n(C)c3ccccc13)C2=O,CHEMBL139568,9.3
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1Cl)C2=O,CHEMBL344940,10.6
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)n(C)c(=O)c1)C2=O,CHEMBL143425,9.07
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cl)C(=O)OC1)C2=O,CHEMBL143819,10.52
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1)C2=O,CHEMBL142099,10.6
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)sc3ccccc13)C2=O,CHEMBL341905,9.66
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3ccccc3n1)C2=O,CHEMBL434320,10.11
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1C)C2=O,CHEMBL140865,10.8
+O=C1c2ccccc2S(=O)(=O)N1COc1nc2ccccn2c(=O)c1Cl,CHEMBL424111,7.85
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O,CHEMBL115827,10.64
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1C)C2=O,CHEMBL356962,9.6
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Cc1ccccc1)C2=O,CHEMBL143215,9.05
+CCC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O,CHEMBL342725,9.14
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(C)C(=O)CCC1)C2=O,CHEMBL422298,9.74
+CC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O,CHEMBL356732,9.68
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1)C2=O,CHEMBL143136,10.3
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)OC1)C2=O,CHEMBL343599,10.28
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1C(=O)c1ccccc1)C2=O,CHEMBL356043,10.57
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3c(n1)CCCC3)C2=O,CHEMBL143365,9.96
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)N(Cc3ccccc3)C1)C2=O,CHEMBL343281,9.85
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1C)C2=O,CHEMBL142526,10.68
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1)C2=O,CHEMBL142100,10.89
+COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)c3ccccc31)C2=O,CHEMBL141329,10.08
+CCC1=C(C(=O)OCc2ccc(C(=O)O)cc2)N2C(=O)[C@H](OC)[C@H]2S(=O)(=O)C1,CHEMBL331287,6.3
+O=c1oc(SCc2ccccc2)nc2sc3c(c12)CCCC3,CHEMBL49258,6.54
+CCSc1nc2sc(C)c(C)c2c(=O)o1,CHEMBL48654,8.56
+CC(C)Nc1nc2sccc2c(=O)o1,CHEMBL48550,7.38
+CCN(CC)c1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL299880,7.842
+CCSc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL297154,8.24
+CSc1nc2sc(C)c(C)c2c(=O)o1,CHEMBL49751,7.46
+CCOc1nc2scc(C(C)C)c2c(=O)o1,CHEMBL298959,8.25
+CSc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL301736,8.24
+COC(=O)CSc1nc2sc(C)c(C)c2c(=O)o1,CHEMBL49955,6.62
+CCOc1nc2sc(C)c(C)c2c(=O)o1,CHEMBL49425,7.97
+COC(=O)CSc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL51649,7.75
+Cc1sc2nc(SCc3ccccc3)oc(=O)c2c1C,CHEMBL412884,7.0
+CC(C)Nc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL49333,6.84
+CCOc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL49750,8.87
+CCCOc1nc2sc(C)c(C)c2c(=O)o1,CHEMBL299381,8.4
+Cc1sc2nc(OCC(C)C)oc(=O)c2c1C,CHEMBL50667,6.875
+CCCOc1nc2sc3c(c2c(=O)o1)CCCC3,CHEMBL296620,8.84
+Cc1sc2nc(NC(C)C)oc(=O)c2c1C,CHEMBL48609,7.12
+CC(C)C(NC(=O)Cn1c(-c2cccc(OC(C)(C)C)c2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL113132,8.36
+CC(C)C(NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL112971,7.18
+CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL107291,7.4
+CC(C)C(NC(=O)Cn1c(-c2ccc(Cl)cc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL113261,8.18
+CC(C)C(NC(=O)Cn1c(-c2cccc(C(=O)O)c2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL325873,7.49
+CC(C)C(NC(=O)Cn1ccc(-c2ccccc2)c(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL324587,6.49
+CC(C)C(NC(=O)Cn1c(-c2ccc(C(=O)O)cc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL322360,7.38
+CC(C)C(NC(=O)Cn1c(-c2cccc(O)c2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL113321,8.25
+COc1cc(OC)cc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1,CHEMBL112880,8.42
+CC(C)C(NC(=O)Cn1c(-c2cccnc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL418822,8.04
+CC(C)C(NC(=O)Cn1c(/C=C/c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL326616,7.48
+CC(C)C(NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL109852,7.1
+Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C,CHEMBL109769,6.44
+CC(C)C(NC(=O)Cn1cc(-c2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL114024,6.52
+CC(C)C(NC(=O)Cn1c(-c2ccccc2Cl)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL432961,7.96
+Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)cc1,CHEMBL432442,7.51
+CC(C)C(NC(=O)Cn1c(-c2cccc(Cl)c2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL325234,8.46
+COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)cc1,CHEMBL113171,8.07
+COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(=O)OC)C(C)C,CHEMBL436383,6.7
+COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C,CHEMBL157261,8.7
+CO[C@H]1C(=O)N2[C@@H](C(=O)N(C)CC(=O)O)C(C)(C)S(=O)(=O)[C@H]12,CHEMBL430991,4.28
+CCO[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccc(C(=O)O)cc3)C(C)(C)S(=O)(=O)[C@H]12,CHEMBL78189,5.89
+CC1(C)[C@H](C(=O)N2CCC[C@@H]2C(=O)O)N2C(=O)[C@@H](NC(=O)C(F)(F)F)[C@H]2S1(=O)=O,CHEMBL308519,4.66
+CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C,CHEMBL307622,4.3
+CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C,CHEMBL73926,4.85
+CC1(C)[C@H](C(=O)OCc2ccc(C(=O)O)cc2)N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S1=O,CHEMBL306565,5.82
+CC(C)C(NC(=O)Cn1cccc(NC(=O)CC(=O)O)c1=O)C(=O)C(F)(F)F,CHEMBL322177,5.59
+CC(C)C(NC(=O)Cn1cc(Cc2cccc(O)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL106888,7.05
+CC(=O)Oc1cccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2)c1,CHEMBL107191,7.38
+COC(=O)C(=O)Nc1cc(Cc2ccccc2)cn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL106793,7.15
+CC(C)C(NC(=O)Cn1cc(Cc2ccc(O)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL104303,7.47
+COC(=O)c1ccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2)cc1,CHEMBL104396,7.06
+CC(C)C(NC(=O)Cn1cccc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F,CHEMBL104050,6.46
+CCOC(=O)CC(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL107329,5.47
+CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)C(N)=O)c1=O)C(=O)C(F)(F)F,CHEMBL104032,7.29
+CC(C)C(NC(=O)Cn1cc(Cc2cccc(NC(=O)C(F)(F)F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL75936,7.44
+CC(C)C(NC(=O)Cn1cc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL321296,7.49
+CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F,CHEMBL107966,7.32
+CC(C)C(NC(=O)Cn1cc(Cc2cccc(OC(=O)C(C)(C)C)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL105233,7.92
+CC(C)C(NC(=O)Cn1cc(Cc2ccc(C(F)(F)F)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL104289,7.33
+CC(C)C(NC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL104557,7.15
+CC(C)C(NC(=O)Cn1cc(Cc2cccc(F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,CHEMBL106066,7.06
+COC(=O)C(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,CHEMBL105067,6.3
+CC(C)C(NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)C(F)(F)F,CHEMBL104250,4.82
+CC(C)C(NC(=O)Cn1cccc(NC(=O)C(N)=O)c1=O)C(=O)C(F)(F)F,CHEMBL105124,6.49
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(=O)O,CHEMBL335981,4.18
+CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O,CHEMBL12082,10.66
+CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)C2=O,CHEMBL430157,10.15
+CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O,CHEMBL269223,9.96
+COc1cc(OC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O,CHEMBL12051,10.1
+CCCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL274582,9.47
+CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL11558,10.31
+COc1ccc2c(c1OC)C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL416154,8.92
+CC(C)Oc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL11913,9.62
+CCOc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL11758,9.77
+CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O,CHEMBL11874,10.1
+COc1ccc2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O,CHEMBL274347,9.33
+CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1,CHEMBL153784,7.04
+CCN(CC)c1nc2scc(C)c2c(=O)o1,CHEMBL153631,6.35
+Oc1sc(Nc2ccc(Cl)cc2)nc2c3ccccc3nc1-2,CHEMBL79118,4.54
+Oc1sc(Nc2ccccc2)nc2c3ccccc3nc1-2,CHEMBL78475,4.37
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C,CHEMBL306203,8.96
+CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C,CHEMBL306202,9.41
+COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)C(N)=O)C(C)C)C(C)C)cc1,CHEMBL68311,9.19
+COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1,CHEMBL302123,8.47
+CCN(CC)c1nc2sccc2c(=O)o1,CHEMBL153392,6.59
+CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1,CHEMBL347069,7.885
+CCN(CC)c1nc2sc3c(c2c(=O)o1)CCCCC3,CHEMBL356390,7.36
+CCN(CC)c1nc2sc3c(c2c(=O)o1)C(C)CCC3,CHEMBL151182,6.685
+CCN(CC)c1nc2sc3c(c2c(=O)o1)CCC3,CHEMBL150472,7.895
+CCN(CC)c1nc2sc3ccccc3c2c(=O)o1,CHEMBL153687,8.24
+CC(C)c1cc(N2CCN(C)CC2)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL333152,8.96
+CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL325155,10.52
+CC(C)c1cc(N(C)C)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL323694,8.66
+CCCc1c(OC)c(OC)cc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL112575,9.7
+COc1cc2c(c(C(C)C)c1OC)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,CHEMBL112205,8.28
+O=C(OCN1C(=O)C2=C(C3CCC2C3)S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL326847,9.1
+CC1(C)CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL114017,9.0
+O=C(OCN1C(=O)C2=C(CCC2)S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL112514,8.3
+CC(C)C1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL112119,9.0
+O=C(OCN1C(=O)C2=C(CCCCC2)S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL111852,7.0
+CC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL326136,9.0
+CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O,CHEMBL326848,9.15
+O=C(OCN1C(=O)C2=C(CCCC2)S1(=O)=O)c1c(Cl)cccc1Cl,CHEMBL113688,7.74
+CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1,CHEMBL147676,7.54
+CC(C)C[C@H](N)C(=O)CN1C(=O)c2ccccc2C1=O,CHEMBL542119,4.76
+CCCCOC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(=O)OCCCC)cc(OCCC)cc1C2=O,CHEMBL40840,6.82
+CCCCOC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(=O)OCCCC)cc(OC)cc1C2=O,CHEMBL440290,5.55
+CC[C@@H]1C(=O)N(C(=O)NC)[C@H]1Oc1ccc(C(=O)O)cc1,CHEMBL422885,4.78
+CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C,CHEMBL359047,4.19
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL150384,8.4
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL422675,7.8
+CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)C(F)(F)F,CHEMBL345477,7.26
+CCCCCCCC(=O)c1c(O)cc(CCCCCCC)oc1=O,CHEMBL269138,4.82
+CCCCCCCCCC(=O)c1c(O)cc(CCCCCCCCC)oc1=O,CHEMBL7958,5.1
+CCCCCCCCC(=O)c1c(O)cc(CCCCCCCC)oc1=O,CHEMBL7816,5.34
+CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O,CHEMBL322104,8.4
+CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCCN3CCOCC3)c(Cl)c1)S2(=O)=O,CHEMBL109411,8.8
+CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)NCCN3CCOCC3)c1Cl)S2(=O)=O,CHEMBL109488,8.46
+CC(C)c1cccc2c1C(=O)N(COc1cccc(S(=O)(=O)N(C)CCN(C)C)c1)S2(=O)=O,CHEMBL323411,7.29
+CC(C)c1cccc2c1C(=O)N(COc1cccc(C(=O)N3CCN(C)CC3)c1)S2(=O)=O,CHEMBL111770,8.0
+CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)O)c1Cl)S2(=O)=O,CHEMBL111419,7.47
+CC(C)c1cccc2c1C(=O)N(COc1ccc(S(=O)(=O)N3CCOCC3)cc1Cl)S2(=O)=O,CHEMBL109234,9.1
+CC(C)c1cccc2c1C(=O)N(COc1cccc(S(=O)(=O)N3CCN(C)CC3)c1)S2(=O)=O,CHEMBL110267,7.38
+CC(C)c1cccc2c1C(=O)N(COc1ccc(S(=O)(=O)N3CCOCC3)cc1)S2(=O)=O,CHEMBL111174,7.87
+CCN(CC)c1nc2ccsc2c(=O)o1,CHEMBL151119,6.885
+CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)CCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)O)c1ccccc1,CHEMBL189159,5.54
+CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1,CHEMBL383257,5.28
+CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1,CHEMBL203723,6.47
+CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl,CHEMBL227222,5.0
+O=C(c1ccc(F)cc1)n1cc(Cl)cn1,CHEMBL243437,8.22
+COc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC,CHEMBL243645,4.29
+O=C(c1ccccc1Br)n1cccn1,CHEMBL242998,4.52
+COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1,CHEMBL242358,4.61
+Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl,CHEMBL243638,4.97
+Cc1nn(C(=O)c2ccccc2F)c(C)c1Cl,CHEMBL243422,5.05
+CC(C)(C)c1ccc(C(=O)n2cc(Cl)cn2)cc1,CHEMBL243421,5.05
+O=C(c1cc(F)c(F)cc1Cl)n1cc(Br)cn1,CHEMBL243420,5.14
+Cc1ccccc1C(=O)n1cccn1,CHEMBL243419,5.47
+O=C(c1ccccc1Cl)n1cc(Cl)cn1,CHEMBL243418,6.0
+CC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1,CHEMBL245164,6.52
+Cc1ccccc1C(=O)n1cc(Br)cn1,CHEMBL245163,6.52
+Cc1cccc(C(=O)n2cc(Br)cn2)c1,CHEMBL397270,6.6
+Cc1ccccc1C(=O)n1cc(Cl)cn1,CHEMBL396796,6.64
+Cc1ccccc1C(=O)n1cc([N+](=O)[O-])cn1,CHEMBL244072,7.19
+O=C(c1ccccc1)n1ccc([N+](=O)[O-])n1,CHEMBL244940,7.34
+Cc1ccc(C(=O)n2ccc([N+](=O)[O-])n2)cc1,CHEMBL244939,7.55
+COc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC,CHEMBL430193,7.68
+Cc1onc(-c2ccccc2Cl)c1C(=O)n1cccn1,CHEMBL389383,5.51
+COc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1,CHEMBL244921,5.6
+COC(=O)c1nnc(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)[nH]1,CHEMBL242392,5.8
+O=C(c1c(F)cccc1F)n1cc(Br)cn1,CHEMBL398168,5.96
+COc1ccccc1OCC(=O)NNC(=O)c1cccs1,CHEMBL244920,6.09
+COc1ccc(C(=O)N(CC#N)CC#N)cc1OC,CHEMBL244919,6.54
+C#CC(C)(C)OC(=O)c1ccc(OC)cc1,CHEMBL244918,6.96
+Cc1cc([N+](=O)[O-])nn1C(=O)c1ccccc1F,CHEMBL398167,6.97
+O=C(c1ccc(Cl)c(Cl)c1)n1cccn1,CHEMBL244917,6.98
+Cc1ccc(C(=O)n2cc(Br)cn2)cc1,CHEMBL244909,7.35
+O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2)n1,CHEMBL388239,7.41
+O=C(c1ccccc1)n1cc([N+](=O)[O-])cn1,CHEMBL244908,7.47
+Cc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1,CHEMBL387791,7.62
+O=C(c1cccc([N+](=O)[O-])c1)n1cc(Cl)cn1,CHEMBL244726,7.62
+COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1,CHEMBL387576,7.82
+CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O,CHEMBL254314,7.19
+CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC1=O,CHEMBL401765,6.39
+CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O,CHEMBL401731,6.89
+CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL443848,7.15
+CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@H](C(=O)O)CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3,CHEMBL403896,8.0
+CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,CHEMBL257889,4.68
+CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2ccc(C(N)=O)cc2o1,CHEMBL270680,9.7
+CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2ccc(O)cc2o1,CHEMBL404871,9.09
+COc1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)oc2c1,CHEMBL256466,9.18
+COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)oc2c1,CHEMBL403098,10.22
+COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C(C)C)C(C)C)oc2c1,CHEMBL404910,9.46
+CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2o1)C(C)C,CHEMBL438709,7.14
+COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nn(-c2ccc(N(C)C)cc2)c(=O)o1)C(C)C)C(C)C,CHEMBL270651,8.19
+CCCC1C(=O)N(COC(=O)c2c(Cl)cccc2Cl)S(=O)(=O)N1C,CHEMBL260190,8.26
+O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F,CHEMBL518500,7.55
+CCC1(CC)C(=O)N(c2ccc(OC)cc2)C1=O,CHEMBL408130,9.15
+CCC1(CC)C(=O)N(c2ccccc2)C1=O,CHEMBL272413,8.92
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diff --git a/chembl_200/CHEMBL249.csv b/chembl_200/CHEMBL249.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1a1535089c45612e83e84724b34088a3530c3aec
--- /dev/null
+++ b/chembl_200/CHEMBL249.csv
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+COc1ccc(-n2nnnc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL536103,10.3
+COc1ccc(-n2nnnc2NC(C)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL556981,9.6
+COc1ccc(-n2nnnc2S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL544891,10.2
+CCCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1,CHEMBL542044,10.4
+COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL555572,10.35
+COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL557983,10.5
+CCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1,CHEMBL545360,10.3
+CCN(CC)c1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1,CHEMBL544892,8.7
+COc1ccc(-n2nnnc2N)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL544660,9.0
+COc1ccc(-n2nnnc2C2CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL558990,10.1
+COc1ccc(-n2nnnc2-c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL556562,9.4
+COc1ccc(-n2nnnc2SC)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL545594,10.4
+CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1,CHEMBL64862,6.0
+CC1c2ccccc2NCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL64839,7.4
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1,CHEMBL293844,8.0
+CC1c2ccccc2NC(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL304638,7.5
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CC(=O)Nc2ccccc2C1CN1CCOCC1,CHEMBL291650,6.1
+COC(=O)C1c2ccccc2NC(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL62597,6.5
+O=C1CN(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)c2ccccc2N1,CHEMBL302163,6.2
+CC1c2ccccc2N(C)C(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL64698,6.0
+CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL105060,8.38
+COc1ccc(S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL343404,9.3
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+Fc1ccc([C@@H]2NCCOC23CC[C@@H](c2ccccc2C(F)(F)F)CO3)cc1,CHEMBL83156,7.55
+Fc1ccc([C@@H]2NCCOC23CC[C@H](c2ccccc2C(F)(F)F)CO3)cc1,CHEMBL311027,6.4
+NC(=O)CN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1,CHEMBL56038,9.05
+FC(F)(F)c1cc(COCC2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1,CHEMBL332284,9.0
+CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12,CHEMBL129683,9.96
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78132,9.0
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+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76093,8.64
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76437,9.05
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+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL75478,8.72
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75422,8.92
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+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL307733,8.96
+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312612,8.92
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77042,8.89
+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL308983,8.49
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL74956,9.1
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+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78851,8.89
+CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL77023,8.89
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310273,9.3
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+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL311712,8.57
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL307498,9.0
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL307877,8.62
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76529,8.62
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL306124,8.7
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78284,9.52
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL404599,9.22
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75479,9.0
+O=C(CN(N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1,CHEMBL316552,6.96
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320548,9.05
+CC(=O)Nc1ccc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL108997,7.82
+CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1,CHEMBL107469,7.28
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL318081,8.74
+O=C(c1cc(Br)cc(Br)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL106572,8.49
+CC(=O)NC1(c2ccccc2)CCN(N(CC(=O)N2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccccc2)N2CCC(NC(C)=O)(c3ccccc3)CC2)CC1,CHEMBL316553,7.32
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320487,7.6
+O=C(CN(N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1,CHEMBL320771,7.32
+COc1cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,CHEMBL316740,6.95
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL110219,8.74
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL107306,6.84
+O=C(c1ccccc1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL106608,7.03
+O=C(CN(N1CCC(O)(c2ccccc2)CC1)N1CCC(O)(c2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1,CHEMBL324416,7.49
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+O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccccc2)C1,CHEMBL107309,6.87
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+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCNCC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106404,6.67
+O=C(CN(N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1,CHEMBL321154,7.43
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+O=C(CN(N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1,CHEMBL320770,7.55
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)C1,CHEMBL109053,7.32
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL108350,7.04
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106877,7.46
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106300,7.38
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4ccc(O)cc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL320486,7.49
+O=C(c1cc(F)cc(F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL107407,7.64
+O=C(CN(NC1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1,CHEMBL323741,7.77
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL321270,8.28
+O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL109092,8.11
+COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL319474,8.15
+CN1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccccc2)C1,CHEMBL106555,6.87
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@H](N)Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL108364,7.15
+O=C(CN(N1CCC(O)(c2ccccc2)CC1)N1CCC(O)(c2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccccc1,CHEMBL110766,7.89
+Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1,CHEMBL106816,7.68
+CNC(c1ccccc1)C1(NCc2ccccc2OC)CC1,CHEMBL423597,6.82
+CNC(c1ccccc1)C1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,CHEMBL158212,6.21
+NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL405129,8.05
+NC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL407749,8.4
+CO/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL287454,7.6
+O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL293432,7.62
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL72930,7.7
+O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76334,7.47
+NC(=O)CN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL430416,8.3
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL311387,7.48
+NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306311,9.15
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77235,7.09
+CCOCCCNC(=O)CN1CCN(CCC(/C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N/OC)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL76727,7.41
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312295,6.9
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75367,7.89
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77752,6.95
+CCOC(=O)C1CCN(C(=O)CN2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL41068,7.62
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76704,7.66
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310703,7.85
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312539,7.09
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75436,7.85
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312573,7.72
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75018,7.8
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310019,7.21
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC3CCCCC32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77592,6.87
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78065,7.21
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NC2CCc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL267333,6.87
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1,CHEMBL77265,7.52
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306039,6.9
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL305826,6.74
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306052,7.15
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL265499,7.33
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306121,7.64
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(N(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312528,7.85
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(NC(C)=O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306097,8.05
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78070,7.62
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78092,7.28
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78091,7.7
+CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL74918,7.89
+COc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1,CHEMBL147543,7.31
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Br,CHEMBL323274,7.53
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1,CHEMBL108040,8.66
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-],CHEMBL108847,7.11
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(N)=O)c1,CHEMBL109080,8.3
+COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1,CHEMBL325312,9.52
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)O,CHEMBL110393,6.76
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=N)NCc1ccccc1Cl,CHEMBL108990,7.73
+CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL108683,7.78
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL324667,7.42
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1,CHEMBL321554,8.96
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL106217,8.3
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1,CHEMBL110301,8.17
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1F,CHEMBL110355,8.46
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL108448,7.1
+CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL108676,7.86
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1c(Cl)cccc1Cl,CHEMBL326893,7.59
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=N)NCc1ccccc1Cl,CHEMBL323224,9.3
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1,CHEMBL318084,8.38
+CNC(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1,CHEMBL419004,8.42
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL319476,8.77
+CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1,CHEMBL106106,7.53
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1,CHEMBL320581,9.15
+COCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1,CHEMBL111295,9.0
+CN(C)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1,CHEMBL320758,8.21
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1CO,CHEMBL110656,8.77
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL421408,7.52
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1O,CHEMBL106100,8.59
+O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL108725,5.1
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C#N,CHEMBL318085,8.96
+CN(Cc1ccccc1)C(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL110340,8.33
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL106078,9.15
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1Cl,CHEMBL325106,8.64
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1,CHEMBL2112476,7.1
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1C(F)(F)F,CHEMBL110913,7.57
+CN(CCc1c[nH]c2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL326429,7.32
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1,CHEMBL107763,9.06
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(N)=O,CHEMBL110770,9.1
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL105847,8.14
+CN(Cc1cccc2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL322975,7.77
+CN(Cc1ccc2ccccc2c1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL323044,7.44
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL110688,7.57
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1,CHEMBL107830,8.64
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F,CHEMBL108481,7.74
+CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1,CHEMBL106754,6.0
+CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL339051,9.57
+COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL129321,9.77
+COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@](C)=O)c1,CHEMBL340326,9.85
+CO/N=C(\COCc1ccccn1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL34460,6.94
+CO/N=C(\COCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285476,7.02
+CO/N=C(\COCc1ccc(F)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285929,7.15
+CO/N=C(\COCc1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284269,7.28
+CO/N=C(\CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL274557,7.04
+CO/N=C(\CN(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32430,8.3
+CO/N=C(\CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32872,7.64
+CO/N=C(\CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL418224,7.24
+CO/N=C(\C(C)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284244,7.12
+CO/N=C(\CNC(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286640,7.48
+CO/N=C(\COCc1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL284396,7.48
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33215,8.05
+CO/N=C(\CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285422,8.3
+CO/N=C(\CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33194,6.36
+CO/N=C(\CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL287523,7.38
+CO/N=C(\CN(C)C(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285986,8.22
+CO/N=C(\COCc1noc(C(C)(C)C)n1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33106,7.0
+CO/N=C(\COCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286433,7.41
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(-c2cccs2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286646,8.7
+CO/N=C(\COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32385,8.0
+CO/N=C(\COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33302,7.49
+CO/N=C(\CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL35891,7.3
+CO/N=C(\C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL285475,8.22
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(N2CCCC2)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33243,8.7
+CO/N=C(\CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33249,8.7
+CO/N=C(\CN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32309,8.4
+CO/N=C(\CN(C)C(=O)c1cc(C)nc(N(C)C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32124,8.7
+CO/N=C(\COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286235,7.09
+CO/N=C(\COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33198,6.77
+CO/N=C(\CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32273,8.15
+CO/N=C(\COCc1cccc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32477,6.85
+CO/N=C(\COC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32431,7.49
+CO/N=C(\CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32197,9.0
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32163,8.7
+CO/N=C(\CN(C)C(=O)c1cc(OC)cc(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32537,8.3
+CO/N=C(\COCc1cc(F)cc(F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL33833,6.95
+CO/N=C(\CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL286901,8.0
+CO/N=C(\CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL36462,7.89
+CO/N=C(\COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL32279,7.59
+CO/N=C(\CN(C)C(=O)c1ccc(N(C)C)c2ccccc12)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL160210,7.92
+OCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL169002,7.7
+CNC(=O)NCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL355295,9.0
+CN(C/C(=N\OCCC[N+](C)(C)C)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL352842,8.74
+COC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL85980,7.6
+CN(C/C(=N\OCF)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL166961,9.1
+N#CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL355868,7.82
+NC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL168584,7.77
+CN(C/C(=N\OCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL352588,9.22
+CN(C/C(=N\OCCCNS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL166975,8.92
+CONC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL168769,7.6
+CN(C/C(=N\OCC(C)(C)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL353162,8.72
+CN(C/C(=N\OC(F)F)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL2112941,8.77
+CC/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL166759,7.24
+CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL350360,7.09
+CNC(=O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL354892,7.62
+CN(C/C(=N\OCCCS(C)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL262053,9.1
+CN(C/C(=N\OCC#N)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL168272,8.82
+CN(C/C(=N\OCCCS(C)(=O)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL166828,9.05
+CN(C/C(=N\OCCCn1cnnn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL287369,9.1
+CN(C/C(=N\OCC(=O)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL167994,8.92
+N=C(CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)NO,CHEMBL354091,7.77
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL66106,8.33
+CN(C/C(=N\OCCCn1cccn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL352364,8.77
+CN(C/C(=N\OCCCn1cncn1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL165465,9.15
+CO/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL168770,7.48
+CN(C/C(=N\OCCN1CCNCC1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL167546,9.3
+CN(C/C(=N\OCc1cnc[nH]1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL353027,8.66
+COC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL167613,8.33
+CN(C/C(=N\OCC(N)=O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL352813,9.05
+O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL167409,7.82
+CSCCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL166842,8.13
+CN(C/C(=N\OCCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL354196,8.8
+O=C(O)CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL352614,8.1
+COCCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL354771,8.62
+CN(C/C(=N\OCCCN)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL167606,9.15
+CN(C/C(=N\OCCCO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL354772,9.15
+CN(C)/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL354822,7.42
+CN(C/C(=N\OCCCS(=O)(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL166827,8.48
+CN(C/C(=N\OCCn1ccnc1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL168144,8.55
+CN(C)CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL350952,6.99
+COCCNC(=O)CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL263214,8.66
+COCCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL168437,8.15
+COCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL170727,7.31
+CN(C/C(=N\OCC(=O)O)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL355429,9.15
+CN(C/C(=N\OCC(=N)NO)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL166921,9.15
+CN(C/C(=N\OCC(=N)NO)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL355041,9.4
+C=CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL170325,7.0
+Fc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1F,CHEMBL107875,8.5
+FC(F)(F)c1cc(COCC(c2ccc(Cl)c(Cl)c2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL109183,8.2
+Fc1cc(F)cc(COCC(c2ccccc2)N2CCNCC2)c1,CHEMBL111303,6.7
+COc1ccccc1C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1,CHEMBL108422,8.2
+Fc1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL320535,7.9
+COc1c(Br)cc(Br)cc1COCC(c1ccccc1)N1CCNCC1,CHEMBL432627,8.1
+COc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1,CHEMBL108200,9.0
+FC(F)(F)c1cc(COCC(c2ccccc2Cl)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL108889,8.8
+FC(F)(F)c1cc(COCC(c2cccc(Cl)c2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL419742,8.8
+Cc1cc(C)cc(COCC(c2ccccc2)N2CCNCC2)c1,CHEMBL108822,7.6
+Fc1ccccc1C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1,CHEMBL321892,8.3
+Clc1cccc(COCC(c2ccccc2)N2CCNCC2)c1,CHEMBL111244,6.4
+FC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL109937,8.8
+Fc1ccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)cc1,CHEMBL109514,7.1
+COc1ccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)cc1,CHEMBL320544,7.3
+CC(C)(C)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(C)(C)C)c1,CHEMBL111304,7.0
+O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1)C1CCNCC1,CHEMBL89245,6.7
+Cc1cc(C)cc(OCC(=O)N(c2ccc(Cl)c(Cl)c2)C2CCNCC2)c1,CHEMBL91418,7.6
+N#Cc1cccc(CN2CCC3(CC2)NC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c1,CHEMBL310521,6.97
+Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c(C)c1,CHEMBL420787,6.49
+CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)CN3CCC(Cc4ccccc4)CC3)CC2)C1=O,CHEMBL82552,5.43
+Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c1,CHEMBL84161,7.34
+O=C1NC2(CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL311946,7.13
+O=C(c1cccc2ccccc12)N1CCC2(CC1)NC(=O)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O,CHEMBL314499,6.47
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O,CHEMBL431974,6.24
+COc1ccc(N2CN(CC(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1OC,CHEMBL86053,5.77
+CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3cccc4ccccc34)CC2)C1=O,CHEMBL84873,6.34
+CSc1ccc(N2C(=O)NC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2=O)cc1,CHEMBL313590,6.88
+CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3ccccc3F)CC2)C1=O,CHEMBL82278,5.83
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(Cc1cccc(-c3ccccc3)c1)C2=O,CHEMBL313297,6.86
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(Cc1ccc3c(c1)OCO3)C2=O,CHEMBL84761,6.61
+CCCCCCCCN1C(=O)NC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1=O,CHEMBL82274,5.69
+CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1=O,CHEMBL82065,6.19
+O=C1C2CN(C(=O)c3sc4ccccc4c3Cl)C3(CCNCC3)C2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL106273,6.3
+CN1C(=O)C2CN(S(=O)(=O)c3ccc4ccccc4c3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2C1=O,CHEMBL319653,7.41
+COc1ccccc1C(=O)N1CC2C(=O)N(C)C(=O)C2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,CHEMBL413383,6.1
+COc1ccc(C(=O)N2CC3C(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)C3C23CCNCC3)cc1OC,CHEMBL102332,5.37
+CS(=O)(=O)N1CC2C(=O)N(c3ccccc3)C(=O)C2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,CHEMBL322885,8.29
+Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C1C(=O)N(c3ccccc3)C(=O)C1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL322453,7.12
+CN1C(=O)C2CN(Cc3cccs3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2C1=O,CHEMBL317209,6.29
+O=C1COc2ccc(S(=O)(=O)N3CCC4(CC3)C3C(=O)N(c5ccccc5)C(=O)C3CN4C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1,CHEMBL102917,7.51
+CS(=O)(=O)N1CCC2(CC1)C1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C1CN2C(=O)c1ccc2ccccc2c1,CHEMBL318093,6.58
+CC(=O)N1CCC2(CC1)C1C(=O)N(c3ccccc3)C(=O)C1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL105055,5.97
+COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C2C(=O)N(c4ccccc4)C(=O)C2CN3C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1,CHEMBL321098,7.52
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C1C(=O)N(c3ccccc3)C(=O)C1CN2C(=O)CN1CCOCC1,CHEMBL317238,8.08
+CC(C)(C)C(=O)N1CCC2(CC1)C1C(=O)N(c3ccccc3)C(=O)C1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL102932,6.52
+CC(=O)N1CCC2(CC1)C1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C1CN2C(=O)COCc1ccccc1,CHEMBL102356,5.63
+O=C1C2CN(C(=O)COCc3ccccc3)C3(CCNCC3)C2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL432007,5.64
+COc1ccc(F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL147776,9.8
+COc1ccc(-c2ccsc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL149557,10.5
+COc1ccc(-c2nnnn2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL357029,9.7
+COc1ccc(-c2c(C)noc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL146885,10.3
+COc1ccc(Br)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL344536,10.3
+COc1ccc(-n2ncnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL424301,9.9
+COc1ccc(SC)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL434884,10.1
+COc1ccc(-c2c(C)nn(C)c2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL144793,9.1
+COc1ccc(-c2nnn(C)n2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL343219,8.6
+COc1ccc(-c2nccs2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL147619,9.1
+COc1ccc(-n2cncn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL359255,9.8
+COc1ccc(-c2ccco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL342966,9.3
+COc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL359188,10.2
+COc1ccc(-c2ccoc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL356786,10.2
+COc1ccc(-c2cncnc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL358575,9.8
+COc1ccc(-c2nccn2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,CHEMBL146210,8.7
+OCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL139750,8.7
+NC(=O)COCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL337789,8.5
+Cc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1,CHEMBL136360,8.5
+NC(=O)N1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL344265,7.7
+FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1,CHEMBL344847,8.2
+FC(F)(F)c1cc(COCC(c2cccs2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL342602,8.1
+O=C(O)CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL136291,7.8
+C[C@H](OC[C@H](c1ccccc1)N1CCN(CC(=O)O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL136347,8.9
+Cc1ccccc1C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1,CHEMBL435796,9.0
+NC(=O)CN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL139150,8.1
+Clc1cc(Cl)cc(COCC(c2ccccc2)N2CCNCC2)c1,CHEMBL136504,8.5
+C=Cc1ccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)cc1C=C,CHEMBL136187,7.5
+NC(=O)CN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL139499,8.0
+COC(=O)CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL138839,7.4
+FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(Cc3nn[nH]n3)CC2)cc(C(F)(F)F)c1,CHEMBL138335,7.2
+Brc1cc(Br)cc(COCC(c2ccccc2)N2CCNCC2)c1,CHEMBL136213,8.3
+N#CCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL136709,8.1
+FC(F)(F)c1cc(COCC(c2ccco2)N2CCNCC2)cc(C(F)(F)F)c1,CHEMBL138682,6.8
+CCOC(=O)N1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL136389,7.2
+O=c1[nH]nc(CN2CCN(C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)[nH]1,CHEMBL138716,7.8
+CCCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL336251,8.6
+FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(Cc3ccccn3)CC2)cc(C(F)(F)F)c1,CHEMBL342266,8.7
+COc1cc(COCC(c2ccccc2)N2CCNCC2)cc(OC)c1OC,CHEMBL138056,6.9
+C[C@H](OC[C@@H](c1ccccc1)N1CCN(CCOCC(=O)O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL423913,8.6
+C[C@H](OC[C@@H](c1ccccc1)N1CCN(CC(=O)O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL342443,8.5
+O=C(O)COCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL139382,7.8
+FC(F)(F)c1ccc(COCC(c2ccccc2)N2CCNCC2)c(C(F)(F)F)c1,CHEMBL140302,7.8
+COc1cc(CN2CCN(C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)C(Cc3ccccc3)C2)cc(OC)c1OC,CHEMBL136850,6.6
+C=Cc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1C=C,CHEMBL336305,8.8
+Clc1ccc(COCC(c2ccccc2)N2CCNCC2)cc1Cl,CHEMBL136279,7.0
+CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL140080,8.8
+Fc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1,CHEMBL139088,8.7
+FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(CCN3CCOCC3)CC2)cc(C(F)(F)F)c1,CHEMBL139859,7.8
+C[C@H](OC[C@H](c1ccccc1)N1CCN(CCOCC(=O)O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL138824,8.9
+O=C(O)CCCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL139531,8.0
+CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL119126,9.08
+CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL332793,8.06
+CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL115633,7.74
+O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1,CHEMBL124208,5.1
+O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1Br,CHEMBL324177,5.77
+COc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1,CHEMBL1169522,5.89
+O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl,CHEMBL320583,6.77
+O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1F,CHEMBL108933,5.9
+COc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1,CHEMBL1169523,6.59
+COc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1,CHEMBL431070,6.48
+O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-],CHEMBL321215,5.81
+O=C1NC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1,CHEMBL380716,8.22
+C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(CC(N)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL425406,9.4
+CCN1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)NC1=O,CHEMBL203740,9.1
+C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL382771,8.44
+C[C@@H](OC[C@@]1(c2ccc(F)cc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL204554,8.82
+CC(C)N1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL381524,8.51
+CCN1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL203753,8.77
+C[C@@H](OC[C@@]1(c2ccccc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL380931,9.3
+C[C@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL377712,7.03
+C[C@@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL203655,7.39
+C[C@@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL204306,9.22
+CN1CCC(N2CC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccc(F)cc3)NC2=O)CC1,CHEMBL203716,9.4
+O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1,CHEMBL379038,9.05
+O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1CCN1CCCC1,CHEMBL204714,8.8
+O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1,CHEMBL204296,8.2
+O=C1NC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1,CHEMBL381151,8.57
+O=C1NC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1,CHEMBL204918,7.05
+O=C1NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1,CHEMBL204206,8.35
+COc1ccccc1CNCCNC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1,CHEMBL203113,8.6
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCC(C)(C)N1CCOCC1,CHEMBL381157,8.2
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCC(C)N1CCOCC1,CHEMBL381825,8.5
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCc1ccccn1,CHEMBL262989,8.0
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCS(=O)(=O)CC1,CHEMBL381155,8.6
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCSCC1,CHEMBL381778,8.2
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCN(C)CC1,CHEMBL204114,8.8
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN(C)C,CHEMBL264660,9.1
+CNCCO/N=C(/C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1,CHEMBL204691,8.7
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN,CHEMBL204297,9.1
+CO/N=C(/C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1,CHEMBL203111,8.4
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL204262,8.9
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL381822,8.9
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL204764,8.0
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL203064,8.2
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL380928,7.7
+C/C(CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1,CHEMBL381814,8.9
+C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1,CHEMBL378156,9.7
+C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1,CHEMBL204979,9.4
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1,CHEMBL380449,7.9
+C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1,CHEMBL379898,8.0
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cc(CN3CCOCC3)on2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL382871,7.9
+O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NOC(CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12,CHEMBL202627,8.6
+Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1ccccc1,CHEMBL383289,6.03
+Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/Nc1c(Cl)cncc1Cl,CHEMBL204327,7.82
+Cc1ccccc1-c1cc(N2CCS(=O)(=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL380705,8.89
+Cc1ccccc1-c1cc(N2CCC(O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL382242,9.4
+Cc1ccccc1-c1cc(N2CCOCC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL204694,9.0
+Cc1ccccc1-c1nc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL203867,9.36
+Cc1ccccc1-c1nc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL205829,8.77
+Cc1ccccc1-c1cnc(N2CCN(C)CC2)nc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381832,8.96
+Cc1ccccc1-c1cnc(N2CCN(C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL203605,8.46
+Cc1ccccc1-c1ccc(N2CCN(C)CC2)nc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL380510,8.7
+Cc1ccccc1-c1ccc(N2CCN(C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381081,8.21
+Cc1ccccc1-c1cnc(N2CCN(C)CC2)cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL383125,8.77
+Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206253,9.02
+Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206488,9.24
+Cc1ccccc1-c1cccnc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL203481,8.4
+Cc1ccccc1-c1cccnc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL265986,8.42
+Cc1ccccc1-c1cnccc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206268,8.48
+Cc1ccccc1-c1cnccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206294,8.34
+Cc1ccccc1-c1ccncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL381058,8.47
+Cc1ccccc1-c1ccncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL204958,8.07
+Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206171,8.85
+FC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1,CHEMBL206490,6.65
+FC(F)(F)c1cc(CNCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1,CHEMBL380827,6.43
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1-c1ccccc1,CHEMBL438801,6.14
+CC(C)(C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL206016,5.86
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1,CHEMBL203928,7.17
+CN(C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1,CHEMBL381744,6.25
+CN(C(=O)c1ccccc1-c1ccccc1)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL436951,6.53
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1Br,CHEMBL202720,7.35
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1Cl,CHEMBL382043,7.66
+Cc1ccccc1-c1ccccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL444624,7.77
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1,CHEMBL203109,7.29
+Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1c(Cl)cccc1Cl,CHEMBL204165,7.03
+Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1ccccc1Br,CHEMBL206274,7.31
+Clc1ccccc1-c1ccccc1/C=N/Nc1c(Cl)cncc1Cl,CHEMBL425768,6.76
+Cc1ccccc1-c1ccccc1/C=N/Nc1c(Cl)cncc1Cl,CHEMBL381179,6.5
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.9
+C[C@@H](OC[C@]1(c2ccccc2)C[C@](N)(C(=O)N2CCCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL377242,8.89
+C[C@@H](OC[C@]1(c2ccccc2)C[C@](N)(C(=O)N2CCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL378027,8.89
+C[C@@H](OC[C@]1(c2ccccc2)C[C@](N)(C(=O)N(C)C)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL211888,8.48
+CNC(=O)[C@]1(N)C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL214194,9.3
+CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL214388,9.0
+C[C@@H](OC[C@]1(c2ccccc2)C[C@@](N)(C(N)=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL210641,9.37
+C[C@@H](OC[C@]1(c2ccccc2)C[C@](N)(C(N)=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL210591,9.0
+C[C@@H](OC[C@]1(c2ccccc2)C[C@H](N2CCCC2=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL212112,9.52
+C[C@@H](OC[C@]1(c2ccccc2)C[C@@H](N2CCCC2=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL379520,9.4
+CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL379073,9.4
+CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL379072,10.0
+C[C@@H](OCC1(c2ccccc2)CC(NCc2n[nH]c(=O)[nH]2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL213735,9.3
+C[C@@H](OCC1(c2ccccc2)CC(NCc2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL213906,9.52
+C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL212428,10.7
+C[C@@H](OCC1(c2ccccc2)CC(=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL212173,8.62
+NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1,CHEMBL225297,6.7
+O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,CHEMBL225588,6.9
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,6.51
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2371977,9.06
+CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL387670,9.15
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL439019,9.22
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL229280,9.7
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL389651,9.1
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL426363,9.0
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2371978,8.52
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL261390,10.34
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL406030,8.85
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL438389,9.215
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1,CHEMBL272665,8.8
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1,CHEMBL271619,7.85
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1,CHEMBL261608,7.0
+C[C@@]12NC(=O)[C@@H](C[C@@]13c1ccccc1N1C(=O)CN[C@@H]13)n1c2nc2ccccc2c1=O,CHEMBL515179,4.02
+C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL519914,9.22
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL460890,9.4
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N2CCCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL508661,9.7
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL452534,9.7
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL453055,9.3
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL453054,9.7
+CCC(=O)N[C@@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL452532,9.52
+CCC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL451765,9.52
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](NS(C)(=O)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL451764,8.59
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](NS(C)(=O)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL451763,9.22
+CC(=O)N[C@@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL452271,9.05
+CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL452270,9.52
+C[C@@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL452269,8.7
+C[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,CHEMBL452022,9.15
+C[C@@H](OC[C@@]1(c2ccccc2)CC(N)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL517121,9.4
+C[C@@H](OC[C@@]1(c2ccccc2)CC(O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL461299,9.3
+CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O,CHEMBL2370435,9.39
+Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL523156,8.43
+Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL489924,8.09
+Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL492117,9.27
+Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL522987,9.633
+Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL522292,7.74
+Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL490926,9.37
+Cc1cc(F)ccc1C1CNCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL490755,8.89
+Cc1cc(F)ccc1N1CCNCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL521605,8.06
+COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2,CHEMBL478392,9.7
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1,CHEMBL448998,8.49
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL556537,10.28
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL538131,8.74
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL539193,10.11
+CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL565894,6.74
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567849,6.82
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567198,7.15
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL611925,9.28
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL611924,8.43
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL592969,9.6
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL611926,10.0
+COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1,CHEMBL594828,5.19
+Cc1cc(F)ccc1C1CNCC2CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)N21,CHEMBL589130,7.3
+Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,CHEMBL589371,9.3
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl,CHEMBL1086003,8.95
+COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1086004,8.52
+CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1082415,9.11
+CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1082735,8.47
+CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1084525,8.65
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl,CHEMBL1082737,8.94
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl,CHEMBL1084165,8.86
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl,CHEMBL1083051,8.76
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl,CHEMBL1084771,8.58
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl,CHEMBL1084522,9.07
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084434,7.95
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084435,8.64
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084523,9.0
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl,CHEMBL1083052,8.8
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084436,9.29
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084437,9.21
+COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1084438,9.04
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084439,8.8
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214027,8.72
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214026,7.23
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1214025,9.74
+CC(=O)N[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270066,9.82
+CC(=O)N[C@@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270067,9.46
+CCC(=O)N[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270174,9.54
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270175,9.64
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCCC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270271,9.59
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270272,9.16
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCNC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270370,9.23
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NS(C)(=O)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270371,8.99
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](Nc2ncccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270464,9.48
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC2=NCCO2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270465,9.55
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270564,9.66
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270565,9.72
+CNC(=O)[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270664,9.59
+CNC(=O)[C@@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270665,9.25
+CCNC(=O)[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270766,9.43
+CCNC(=O)[C@@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1,CHEMBL1270767,8.95
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(=O)NC2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270868,9.47
+C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(=O)NC2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270869,9.4
+C[C@@H](OC[C@@]1(c2ccccc2)CCCCN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1270970,9.52
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CNC[C@@H]1c1ccc(F)cc1,CHEMBL1270785,9.05
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1,CHEMBL1270786,9.22
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1,CHEMBL1269638,8.96
+CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1,CHEMBL1269639,8.85
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1,CHEMBL1269640,8.68
+CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O,CHEMBL1651026,9.85
+Cc1cc(F)ccc1[C@H]1C[C@@H](N(C)C)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672044,10.1
+Cc1cc(F)ccc1[C@H]1C[C@@H](N(C)C)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672045,9.62
+Cc1cc(F)ccc1[C@H]1C[C@H](N(C)C)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672046,9.03
+Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCC2)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672047,10.09
+Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672048,9.75
+Cc1cc(F)ccc1[C@H]1C[C@H](N2CCC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672049,9.19
+Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672050,9.56
+Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672051,9.85
+Cc1cc(F)ccc1[C@H]1C[C@H](N2CCCC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672052,9.7
+CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,CHEMBL1672053,9.93
+CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,CHEMBL1672054,9.69
+CC(=O)N1CCN([C@@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,CHEMBL1672055,9.36
+CN[C@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1,CHEMBL1672056,9.7
+Cc1cc(F)ccc1[C@H]1C[C@@H](NC2CC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672057,9.49
+Cc1cc(F)ccc1[C@H]1C[C@@H](NC2CCC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1672058,9.77
+COCCN[C@H]1CCN(C(=O)N(C)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1,CHEMBL1672059,9.68
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682624,6.89
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1,CHEMBL1682680,6.47
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1,CHEMBL1760200,5.17
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760338,5.74
+COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760339,5.72
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1,CHEMBL1760205,5.66
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1,CHEMBL1760206,5.8
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766204,10.12
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766205,9.68
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1,CHEMBL1766206,9.0
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1,CHEMBL1766207,9.02
+CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1782137,7.49
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+Ic1ccccc1N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1,CHEMBL2392023,8.59
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+CC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3104776,5.6
+O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1,CHEMBL3104773,6.1
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+CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3104775,6.5
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+NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2042018,8.28
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1,CHEMBL108438,8.82
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+C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1,CHEMBL3422009,5.9
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1,CHEMBL3422010,4.9
+CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1,CHEMBL3422015,5.1
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422018,4.9
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3608937,10.3
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+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3609617,10.52
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3609618,9.7
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3609620,10.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3609621,9.07
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(I)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3734889,8.48
+CC(C)CC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736285,8.47
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736287,8.66
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736364,8.85
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736013,9.0
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)N(C)C(Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3735298,8.59
+CC(C)CC(NC(=O)C1CCCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3735476,8.25
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3736420,8.54
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(Br)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3735058,8.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1,CHEMBL3780776,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1,CHEMBL3780820,8.96
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CC[C@@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2)C1,CHEMBL3780408,8.92
diff --git a/chembl_200/CHEMBL2492.csv b/chembl_200/CHEMBL2492.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f7d5025c5a1450bf79e92c5d400c4eb1ee023e84
--- /dev/null
+++ b/chembl_200/CHEMBL2492.csv
@@ -0,0 +1,374 @@
+Clc1ccc(OC[C@H]2CCN2)cn1,CHEMBL430497,5.63
+c1cncc(OC[C@@H]2CCN2)c1,CHEMBL59986,6.83
+Cc1cc([C@@H]2CCCN2C)on1,CHEMBL274525,5.39
+CN1CCC[C@H]1COc1cccnc1,CHEMBL84149,5.82
+N#[N+][N-]c1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55716,8.01
+c1cncc(OC[C@H]2CCN2)c1,CHEMBL262769,5.89
+C[N+](C)(C)C,CHEMBL46486,5.64
+c1cncc(C2CCCCN2)c1,CHEMBL280963,6.35
+CN1CCCCC1c1cccnc1,CHEMBL102246,5.01
+c1cncc(C2CCCN2)c1,CHEMBL1132,6.14
+Fc1cccc2c1CC1CNCC2C1,CHEMBL191988,6.08
+COc1ccc2c(c1)CC1CNCC2C1,CHEMBL187992,5.62
+FC(F)Oc1ccc2c(c1)CC1CNCC2C1,CHEMBL189968,5.77
+Fc1ccc2c(c1)CC1CNCC2C1,CHEMBL191867,6.46
+c1cc2c(c3c1CC1CNCC3C1)OCO2,CHEMBL373359,5.29
+Fc1ccc2c(c1F)CC1CNCC2C1,CHEMBL365965,6.28
+CC(=O)OCC[N+](C)(C)C,CHEMBL667,5.1
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,CHEMBL56564,8.16
+CCCn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL199152,7.6
+CCCCn1cnc2cc3c(cc21)C1CNCC3C1,CHEMBL198035,6.21
+c1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cc1,CHEMBL195345,8.51
+O=C1NC[C@]2(CN3CCC2CC3)O1,CHEMBL195519,6.38
+c1cncc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1,CHEMBL193329,8.08
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccn2)s1,CHEMBL364069,8.89
+O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccn2)s1,CHEMBL188469,8.16
+O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2)s1,CHEMBL194100,8.47
+O=C(NC1CN2CCC1CC2)c1ccc(-c2cccs2)s1,CHEMBL195190,8.96
+COc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)s1,CHEMBL365181,6.57
+O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1,CHEMBL440387,6.28
+O=C(NC1CN2CCC1CC2)c1cc2ccccc2s1,CHEMBL365323,7.84
+O=C(NC1CN2CCC1CC2)c1csc(-c2ccccc2)c1,CHEMBL195800,7.78
+O=C(NC1CN2CCC1CC2)c1csc(-c2ccccc2)n1,CHEMBL372895,6.92
+O=C(NC1CN2CCC1CC2)c1cc(-c2ccccc2)sn1,CHEMBL372041,8.39
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1,CHEMBL195329,8.605
+O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1,CHEMBL194984,7.57
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C,CHEMBL388341,4.82
+COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL388564,4.02
+COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL225853,4.08
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,CHEMBL388342,4.17
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,CHEMBL225852,4.74
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C,CHEMBL112640,5.0
+COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3,CHEMBL225851,4.68
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+C[N+]12CCC34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,CHEMBL231047,5.698
+C[N+](C)(Cc1ccc([N+](=O)[O-])cc1)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n1C2,CHEMBL229999,5.547000000000001
+C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2,CHEMBL206666,5.45
+C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2,CHEMBL382243,5.752000000000001
+O=[N+]([O-])c1ccc(C[N+]23CCC4[C@@H]2C[C@H](C2=CN5c6ccccc6[C@@]67CC[N+]8(Cc9ccc([N+](=O)[O-])cc9)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N(c5ccccc5)[C@@H]24)/C(=C\CO)C3)cc1,CHEMBL415570,6.9670000000000005
+COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H](C2=CN5c6ccccc6[C@@]67CC[N+]8(Cc9ccc(OC)c(OC)c9)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N(c5ccccc5)[C@@H]24)/C(=C\CO)C3)cc1OC,CHEMBL388049,6.642
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+C[N+]12CC[C@H]3[C@@H]1C[C@H](C1=CN4c5ccccc5[C@@]56CC[N+]7(C)CC8=CCO[C@H]([C@@H]([C@H]45)[C@H]8C[C@@H]67)N(c4ccccc4)[C@@H]13)/C(=C\CO)C2,CHEMBL415568,6.105
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+C1=C2C[N+]3(Cc4ccc5ccccc5c4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N(c1ccccc1)[C@@H]1[C@H]2CC[N+]3(Cc4ccc5ccccc5c4)CC4=CCO[C@@H]6[C@@H]1[C@H]4C[C@@H]23,CHEMBL388047,6.323
+O=[N+]([O-])c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc([N+](=O)[O-])cc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1,CHEMBL229998,7.6
+Brc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc(Br)cc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1,CHEMBL388046,6.395
+COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccc(OC)c(OC)c7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1OC,CHEMBL389120,7.055
+C1=C2C[N+]3(Cc4ccccc4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N(c1ccccc1)[C@@H]1[C@H]2CC[N+]3(Cc4ccccc4)CC4=CCO[C@@H]6[C@@H]1[C@H]4C[C@@H]23,CHEMBL396705,6.65
+C1=CC([N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(C7C=CCCC7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)CCC1,CHEMBL231056,6.167999999999999
+CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(CCOC(C)=O)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL395960,6.54
+C/C=C/C[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL230952,6.81
+C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL390135,7.35
+C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3CN5CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@H]57)C2,CHEMBL244561,7.228
+C[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2,CHEMBL395727,6.6
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,CHEMBL214268,8.15
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1,CHEMBL403858,8.05
+C[N+]1(C)C2CCC1CC(OC1c3ccccc3CCc3ccccc31)C2,CHEMBL490843,5.7
+c1ccc(CN2C3CCC2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1,CHEMBL491861,4.9
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,7.79
+c1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209070,5.48
+CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,CHEMBL1209186,5.12
+CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209187,5.32
+CCS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209243,5.01
+CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,CHEMBL1209244,4.84
+c1cnc2cc3c(cc2n1)C1CNCC3C1,CHEMBL1396,6.9
+O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1258126,7.73
+O=C(Nc1ccccc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1258127,7.54
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1258240,8.57
+O=C(Nc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1258241,7.59
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1,CHEMBL1258358,7.43
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1,CHEMBL1257896,7.11
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)cc1,CHEMBL1258005,8.103
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL1258006,8.853
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1,CHEMBL1258125,7.36
+O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2,CHEMBL1255907,5.71
+O=C(Nc1ccc(Br)cc1)O[C@H]1CN2CCC1CC2,CHEMBL1255908,7.41
+O=C(Nc1ccccc1)N[C@H]1CN2CCC1CC2,CHEMBL1255909,6.96
+O=C(Nc1ccc(Br)cc1)N[C@H]1CN2CCC1CC2,CHEMBL1256000,7.36
+O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1256001,5.48
+N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL1256002,5.64
+N[C@H]1CN2CCC1CC2,CHEMBL1256003,5.2
+NCCc1cccnc1,CHEMBL1256004,5.07
+CN(C)CCc1cccnc1,CHEMBL142049,5.5
+O=C(Nc1ccccc1)OCCCc1cccnc1,CHEMBL1255822,4.84
+O=C(Nc1ccc(Br)cc1)OCCCc1cccnc1,CHEMBL1255823,5.16
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,CHEMBL177611,7.6
+CC(COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C,CHEMBL1669092,7.24
+O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2,CHEMBL559478,7.85
+Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1,CHEMBL1831027,4.7
+Cc1ccc(C(OCC2CCC[N+](C)(C)C2)c2ccccc2)cc1,CHEMBL1831037,5.0
+C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1,CHEMBL1831048,4.7
+CN1CCN(Cc2ccccc2Sc2ccccc2)CC1,CHEMBL1624521,4.7
+c1ccc(Sc2ccccc2CN2CCCC2)cc1,CHEMBL1616460,4.8
+CSc1[nH]c2ccccc2c1CN1CCCCC1,CHEMBL1828845,5.4
+c1ccc2c(CN3CCCCC3)csc2c1,CHEMBL1625371,4.8
+Clc1ccc(C2=CCCC3CCC2N3)cn1,CHEMBL63102,7.92
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL122270,5.1
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2,CHEMBL1946187,6.0
+c1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)cc1,CHEMBL1946188,4.9
+C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2,CHEMBL1946189,5.8
+OC(CN1[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2)c1ccccc1,CHEMBL1947047,4.7
+Oc1cccc(C(O)CN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)c1,CHEMBL1947048,4.4
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1,CHEMBL1947049,5.5
+CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2,CHEMBL1947051,4.8
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1,CHEMBL1947053,5.1
+O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1,CHEMBL1947054,5.3
+C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2,CHEMBL1947055,5.2
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(O)c1ccccc1)c1ccccc1,CHEMBL1947056,4.9
+C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2,CHEMBL1947059,5.0
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(O)c1cccc(O)c1)c1ccccc1,CHEMBL1947061,4.6
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(O)c1cc(O)cc(O)c1)c1ccccc1,CHEMBL1947062,4.8
+O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CC(O)c1cc(O)cc(O)c1)c1ccccc1,CHEMBL1947205,4.9
+O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1cccc(O)c1)c1ccccc1,CHEMBL1947206,4.9
+c1cncc(N2CCC3(CCCN3)C2)c1,CHEMBL504652,5.16
+c1cncc(N2CCC3(CC4CCN3C4)C2)c1,CHEMBL2057712,5.1
+c1cncc(N2CCC3(CC4CCN3CC4)C2)c1,CHEMBL2057713,5.1
+c1cncc(N2CCC3(C2)C2CCN3CC2)c1,CHEMBL2057714,5.12
+CN1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)CC2C1,CHEMBL2151569,9.62
+CN1CC2CN(c3ccc(-c4ccccc4)nc3)CC2C1,CHEMBL2151445,8.02
+c1ccc(-c2ccc(N3CC4CNCC4C3)cn2)cc1,CHEMBL2151444,8.08
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1,CHEMBL378349,8.68
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1,CHEMBL379302,7.9
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1,CHEMBL378471,8.8
+O=C(Oc1ccccc1)N1CCN2CCC1CC2,CHEMBL563848,6.13
+c1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597843,7.52
+c1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL611082,7.65
+Clc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597241,9.0
+Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1Cl,CHEMBL603052,8.49
+c1ccc2sc(CO[C@@H]3CN4CCC3CC4)cc2c1,CHEMBL125069,7.89
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2sccc2c1,CHEMBL2113232,7.55
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Cl)s1,CHEMBL192704,8.05
+O=C1O[C@]2(CN3CCC2CC3)CN1c1cccs1,CHEMBL362962,7.1
+O=C1O[C@]2(CN3CCC2CC3)CN1c1cc2ccccc2s1,CHEMBL192237,7.12
+c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2,CHEMBL2151437,8.52
+c1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)co1,CHEMBL2151438,10.52
+O=C(N[C@@H]1CN2CCC1CC2)c1[nH]nc2ccccc12,CHEMBL2151439,8.22
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1,CHEMBL2151572,8.185
+CN1CC2CN(c3ccc(-c4ccccc4)nn3)CC2C1,CHEMBL2151443,7.77
+COc1ccc(C(=O)N2CC3CNCC(C3)C2)cc1,CHEMBL2179523,4.0
+O=C(c1ccccc1)N1CC2CNCC(C2)C1,CHEMBL2179522,4.47
+O=C(c1ccc(Oc2ccccc2)cc1)N1CC2CNCC2C1,CHEMBL2179521,4.89
+COc1ccc(C(=O)N2CC3CNCC3C2)cc1,CHEMBL2179520,4.0
+O=C(c1ccccc1)N1CC2CNCC2C1,CHEMBL2179519,4.7
+O=C(c1ccccn1)N1CC2CNCC2C1,CHEMBL2179518,4.0
+O=C(c1cccnc1)N1CC2CNCC2C1,CHEMBL2179517,4.7
+Cc1ncoc1C(=O)N1CC2CNCC2C1,CHEMBL2179516,5.23
+O=C(c1cnco1)N1CC2CNCC2C1,CHEMBL2179957,5.12
+O=C(c1ccno1)N1CC2CNCC2C1,CHEMBL2179956,4.72
+O=C(c1ncco1)N1CC2CNCC2C1,CHEMBL2179560,4.85
+O=C(c1ccoc1)N1CC2CNCC2C1,CHEMBL2179559,4.0
+O=C(c1ccc(Br)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179558,5.09
+O=C(c1ccc(F)o1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179557,4.85
+O=C(c1ccc(Br)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179556,4.85
+O=C(c1ccc(Cl)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179555,4.85
+O=C(c1ccc(F)o1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179554,5.8
+O=C(c1ccc(F)o1)N1CC2CNCC(C2)C1,CHEMBL2179540,5.33
+Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179539,5.43
+Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179538,5.09
+N#Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179537,5.06
+N#Cc1coc(C(=O)N2CC3CNCC3C2)c1,CHEMBL2179536,5.07
+O=C(c1occc1Br)N1CC2CNCC2C1,CHEMBL2179534,5.2
+O=C(c1cc(Br)co1)N1CC2CNCC2C1,CHEMBL2179533,5.34
+O=C(c1occc1Cl)N1CC2CNCC2C1,CHEMBL2179531,5.59
+O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,CHEMBL2179529,5.17
+O=C(c1ccc(F)o1)N1CC2CNCC2C1,CHEMBL2179526,5.92
+O=C(c1ccncc1)N1CC2CNC(C2)C1,CHEMBL2179525,5.89
+O=C(c1ccncc1)N1CC2CNCC2C1,CHEMBL2179971,4.82
+O=C(c1ccco1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179970,5.26
+O=C(c1ccco1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179969,6.25
+O=C(c1ccco1)N1CC2CNC(C2)C1,CHEMBL2179968,5.11
+O=C(c1ccco1)N1CC2CNCC(C2)C1,CHEMBL2179967,5.09
+O=C(c1ccco1)N1CC2CNCC2C1,CHEMBL2179966,5.23
+O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1,CHEMBL2179965,6.68
+O=C(C1CC1)N1C[C@@H]2C[C@H](CN2)C1,CHEMBL2179964,7.4
+O=C(C1CC1)N1CC2CNC(C2)C1,CHEMBL2179963,6.46
+O=C(C1CC1)N1CC2CNCC(C2)C1,CHEMBL2179962,7.7
+O=C(C1CC1)N1CC2CNCC2C1,CHEMBL2179961,6.08
+CCOc1cncc(/C=C/CCNC)c1,CHEMBL1876219,4.15
+CNCC/C=C/c1cccnc1,CHEMBL132966,5.1
+c1cncc(N2CC3CNCC(C3)C2)c1,CHEMBL2177512,8.8
+Fc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2177514,8.14
+Clc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2177513,7.64
+Clc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1,CHEMBL2178157,7.89
+Clc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2178158,7.41
+COc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1,CHEMBL2178159,7.64
+COc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1,CHEMBL2178160,7.89
+COc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177109,7.52
+Clc1ccc(C2=CC3CNCC(C2)C3)nn1,CHEMBL2177516,7.11
+C1=C(c2cnccn2)CC2CNCC1C2,CHEMBL2177517,6.55
+C1=C(c2cncnc2)CC2CNCC1C2,CHEMBL2177518,7.72
+CN1CC2C=C(c3cnccc3C#N)CC(C2)C1,CHEMBL2177520,5.31
+N#Cc1ccncc1C1=CC2CNCC(C1)C2,CHEMBL2177521,6.48
+CN1CC2C=C(c3cnccc3Cl)CC(C2)C1,CHEMBL2177531,5.85
+Clc1ccncc1C1=CC2CNCC(C1)C2,CHEMBL2177530,7.48
+C1=C(c2ccc(-c3ccccc3)nc2)CC2CNCC1C2,CHEMBL2177529,6.23
+Cc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177528,7.1
+COc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177526,5.73
+CN1CC2C=C(c3ccc(Cl)nc3)CC(C2)C1,CHEMBL2177525,5.19
+Clc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177524,7.41
+CN1CC2C=C(c3ccc(F)nc3)CC(C2)C1,CHEMBL2177523,5.88
+Fc1ccc(C2=CC3CNCC(C2)C3)cn1,CHEMBL2177522,7.7
+C1=C(c2cncc(-c3ccccc3)c2)CC2CNCC1C2,CHEMBL2177532,5.49
+FC(F)(F)c1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177533,6.19
+N#Cc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1,CHEMBL2177535,7.1
+N#Cc1cncc(C2=C[C@H]3CNC[C@@H](C2)C3)c1,CHEMBL2178156,7.14
+N#Cc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2178155,6.8
+CN1CC2C=C(c3cncc(Cl)c3)CC(C2)C1,CHEMBL2178154,5.1
+Clc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177555,7.82
+CN1CC2C=C(c3cncc(F)c3)CC(C2)C1,CHEMBL2177554,6.0
+Fc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1,CHEMBL2177553,8.8
+Fc1cncc(C2=C[C@H]3CNC[C@@H](C2)C3)c1,CHEMBL2177552,8.48
+Fc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177551,8.44
+COc1cc(C2=CC3CC(C2)CN(C)C3)cnc1Cl,CHEMBL2177550,5.12
+COc1cc(C2=CC3CNCC(C2)C3)cnc1Cl,CHEMBL2177549,6.95
+CN1CC2C=C(c3cncc(OCc4ccccc4)c3)CC(C2)C1,CHEMBL2177548,5.34
+C1=C(c2cncc(OCc3ccccc3)c2)CC2CNCC1C2,CHEMBL2177547,7.36
+CN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1,CHEMBL2177546,7.77
+C1=C(c2cncc(Oc3ccccc3)c2)CC2CNCC1C2,CHEMBL2177545,7.66
+CC(C)Oc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177543,6.98
+COc1cncc(C2=CC3CC(C2)CN(C)C3)c1,CHEMBL2177542,6.22
+COc1cncc(C2=CC3CNCC(C2)C3)c1,CHEMBL2177541,8.34
+CN1C[C@@H]2CC(c3cccnc3)=C[C@@H](C2)C1,CHEMBL2177540,7.13
+CN1C[C@@H]2C=C(c3cccnc3)C[C@@H](C2)C1,CHEMBL2177539,7.15
+C1=C(c2cccnc2)C[C@H]2CNC[C@@H]1C2,CHEMBL2177538,8.92
+C1=C(c2cccnc2)C[C@@H]2CNC[C@H]1C2,CHEMBL2177537,8.89
+C1=C(c2cccnc2)CC2CNCC1C2,CHEMBL2177536,8.4
+c1cncc(CC2CC3CCN2CC3)c1,CHEMBL1789658,6.01
+c1cncc(C2CC3CCN2CC3)c1,CHEMBL105374,7.4
+O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL2180265,6.09
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL194082,8.3
+O=C(N[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL2180264,6.38
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cccc(-c3ccccn3)c2o1,CHEMBL2180263,7.54
+COc1ccccc1-c1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2180262,7.23
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Cl)cc(Br)c2o1,CHEMBL2180261,6.59
+COc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(Cl)cc12,CHEMBL2180260,7.44
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2c(Cl)cccc12,CHEMBL2180259,6.45
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(Cl)cc12,CHEMBL2180258,7.94
+Cc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)c(C)c2c1,CHEMBL2180257,7.8
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2c(F)cccc12,CHEMBL2180256,7.47
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(F)cc12,CHEMBL2180255,7.91
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(F)ccc2o1,CHEMBL2180254,8.33
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(O)ccc2o1,CHEMBL2180253,8.74
+Cc1ccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc2c1,CHEMBL2180252,8.26
+Cc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)cc2c1,CHEMBL2180251,8.3
+Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccccc12,CHEMBL2180250,8.66
+CCOc1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2179883,7.66
+COc1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12,CHEMBL2179882,8.23
+COc1ccc2oc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)cc2c1,CHEMBL2179881,8.68
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Br)ccc2o1,CHEMBL2179880,7.95
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(Cl)ccc2o1,CHEMBL2179879,8.42
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2cccs2)s1,CHEMBL2179878,8.92
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccn2)s1,CHEMBL2179877,9.05
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)s1,CHEMBL2179875,9.1
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(I)s1,CHEMBL2179874,9.29
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)s1,CHEMBL2179873,8.96
+Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)s1,CHEMBL2151441,8.52
+Cc1ccsc1/C=C/C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL2179872,8.35
+O=C(/C=C/c1ccccc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1,CHEMBL2179871,8.37
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)on1,CHEMBL2179870,7.06
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccon1,CHEMBL2179869,5.96
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)o1,CHEMBL2179868,8.23
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccn2)o1,CHEMBL2179867,6.15
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)o1,CHEMBL2179866,7.25
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1occc1Br,CHEMBL2179865,8.21
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(Cl)co1,CHEMBL2179864,7.18
+Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1,CHEMBL2179863,6.62
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2cn1,CHEMBL2179862,8.55
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12,CHEMBL2179861,5.69
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1,CHEMBL2179859,6.77
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)n1,CHEMBL2179858,6.66
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cn1,CHEMBL2179857,7.52
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(Cl)ccn1,CHEMBL2179856,7.22
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccncc1,CHEMBL2179854,6.02
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1,CHEMBL2179853,7.03
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1,CHEMBL2179852,5.74
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2c(c1)OCCO2,CHEMBL2179851,7.62
+COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1,CHEMBL2179850,6.82
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)c(Cl)c1,CHEMBL2179849,7.7
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1Cl,CHEMBL2179848,6.07
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)c(F)c1,CHEMBL2179847,7.28
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(CO)cc1,CHEMBL2179846,7.12
+COc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1,CHEMBL2179844,8.19
+CN(C)c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1,CHEMBL2179843,6.95
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1,CHEMBL2179842,7.82
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)c1,CHEMBL2179841,7.34
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1Cl,CHEMBL2179840,5.67
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(F)cc1,CHEMBL2179839,7.51
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1F,CHEMBL2179837,6.3
+CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,CHEMBL2332144,7.04
+CC(=O)C1=CC[C@@H]2CC[C@H]1N2,CHEMBL2332145,4.0
+Fc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1,CHEMBL2380802,7.94
+FCCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21,CHEMBL2380928,8.6
+CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1,CHEMBL2381567,4.53
+CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL2381566,5.96
+CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1,CHEMBL2381565,4.31
+CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1,CHEMBL2381564,4.53
+CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1,CHEMBL2381563,5.35
+CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1,CHEMBL2381571,4.98
+CN1CCC[C@H]1COC(=O)c1ccccc1,CHEMBL2381568,5.17
+C[C@H]1C[C@@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409484,4.0
+CNC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037926,4.57
+O=C(c1ccco1)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409473,4.82
+O=C([C@@H]1C[C@@H]1F)N1CC2CNCC2C1,CHEMBL2409477,5.16
+C[C@H]1C[C@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409481,5.35
+CCC(=O)N1CC2CNCC2C1,CHEMBL2409494,5.4
+O=C(c1ccco1)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037928,5.47
+CC(=O)N1CC2CNCC(C2)C1,CHEMBL2409495,5.48
+O=C([C@H]1C[C@@H]1F)N1CC2CNCC2C1,CHEMBL2409479,5.57
+C[C@@H]1C[C@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409483,5.72
+CCC(=O)N1CC2CNCC(C2)C1,CHEMBL2409496,5.8
+O=C([C@H]1C[C@H]1F)N1CC2CNCC2C1,CHEMBL2409478,5.85
+O=C([C@H]1C[C@@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409488,6.4
+C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC2C1,CHEMBL2409482,6.46
+C[C@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409490,6.52
+O=C([C@@H]1C[C@@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409485,6.52
+O=C(C1CC1)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037927,6.85
+C[C@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409492,7.0
+O=C([C@H]1C[C@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409486,7.0
+C[C@@H]1C[C@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409489,7.52
+O=C([C@@H]1C[C@H]1F)N1CC2CNCC(C2)C1,CHEMBL2409487,8.0
+C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1,CHEMBL2409491,8.3
+COC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1,CHEMBL3037929,4.89
+CC(C)NC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2407115,4.96
+CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1,CHEMBL2409476,5.0
+O=C([C@@H]1C[C@H]1F)N1CC2CNCC2C1,CHEMBL2409480,6.0
+CNC(=O)OCC[N+](C)(C)C,CHEMBL1472561,4.36
+C[N+](C)(C)CCOC(N)=O,CHEMBL965,4.18
+CN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2,CHEMBL3094063,5.0
+O=C1CCCC2[C@H]3CNC[C@H](C3)CN12,CHEMBL3094062,5.7
+C[N+](C)(C)Cc1cn(Cc2cccc(O)c2)c2ccccc12,CHEMBL3133445,6.22
+C[N+](C)(C)Cc1cn(Cc2ccc(O)cc2)c2ccccc12,CHEMBL3133446,5.54
+CC(C)N1CCC(=NO)CC1,CHEMBL3219576,4.99
+CN1[C@H]2CC[C@@H]1C/C(=N/Nc1ccccc1Cl)C2,CHEMBL3219578,5.66
+CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21,CHEMBL3235498,10.04
+COc1cc2c(cc1O)CCN1CC=C3C=C[C@H](OC)C[C@]321,CHEMBL446533,5.12
+CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1,CHEMBL293950,4.98
+Clc1cncc(N2CCCNCC2)c1,CHEMBL3341967,6.4
+O=C(Nc1ccccc1)OC1CN2CCC1CC2,CHEMBL193996,6.92
+O=C(NC1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1,CHEMBL3640293,7.28
+O=C(Nc1ccccc1)OC1C2CCN(CC2)C1Cc1cccnc1,CHEMBL3640294,8.15
+O=C(Nc1ccc(Br)cc1)OC1C2CCN(CC2)C1Cc1cccnc1,CHEMBL2151571,8.3
+O=C(NC1C2CCN(CC2)C1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1,CHEMBL3640295,8.05
+COc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12,CHEMBL3699087,7.38
+Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc2c1,CHEMBL3699088,8.43
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2o1,CHEMBL3699089,7.2
+Nc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12,CHEMBL3699090,7.1
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(F)ccc2o1,CHEMBL3699091,7.43
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Br)c2o1,CHEMBL3699092,7.24
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3c2o1,CHEMBL3699093,7.12
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccc2s1,CHEMBL3699094,8.41
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(F)c2s1,CHEMBL3699095,8.51
+O=C(N[C@@H]1CN2CCC1CC2)c1cc2cccc(F)c2s1,CHEMBL3699096,7.7
+Nc1ccc2sc(C(=O)N[C@H]3CN4CCC3CC4)cc2c1,CHEMBL3699097,7.3
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(C(F)(F)F)c2s1,CHEMBL3699098,7.7
+O=C(N[C@@H]1CN2CCC1CC2)c1cc2cccc(C(F)(F)F)c2s1,CHEMBL3699099,7.26
+Nc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc12,CHEMBL3699100,8.7
+Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc2c1,CHEMBL3699101,8.55
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(F)ccc2s1,CHEMBL3699102,7.66
+COc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc12,CHEMBL3699103,8.17
+COc1cccc2cc(C(=O)N[C@@H]3CN4CCC3CC4)sc12,CHEMBL3699104,7.7
+O=C(N[C@H]1CN2CCC1CC2)c1cc2c(F)cccc2s1,CHEMBL3699105,7.1
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(F)cc(F)c2s1,CHEMBL3699106,7.51
+CC(=O)Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc2c1,CHEMBL3699107,7.55
+Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1,CHEMBL298826,7.66
diff --git a/chembl_200/CHEMBL251.csv b/chembl_200/CHEMBL251.csv
new file mode 100644
index 0000000000000000000000000000000000000000..eb90b228f4be0c5fcb3f875798928786d1848478
--- /dev/null
+++ b/chembl_200/CHEMBL251.csv
@@ -0,0 +1,3751 @@
+COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL329294,6.002999999999999
+Cc1ccc2c(NN)cc(-c3ccccc3)nc2n1,CHEMBL94538,5.622999999999999
+CN(C)c1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL102429,5.765
+Cc1ccc2c(=O)cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL313864,6.252999999999999
+O=c1cc(-c2ccccc2)[nH]c2nc(NC3CCCCC3)ccc12,CHEMBL418797,5.685
+O=c1cc(-c2ccccc2)[nH]c2nc(Oc3ccccc3)ccc12,CHEMBL97896,5.587000000000001
+CCOc1cc(-c2ccccc2)nc2c1ccc(=O)n2CC,CHEMBL323288,5.28
+CC(=O)Nc1ccc(-c2cc(=O)c3ccc(C)nc3[nH]2)cc1,CHEMBL104998,5.72
+CCCc1cc(=O)c2ccc(C)nc2[nH]1,CHEMBL103150,6.025
+O=c1cc(-c2ccccc2)[nH]c2nc(Br)ccc12,CHEMBL97687,7.12
+Cc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL97549,6.313
+CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12,CHEMBL103559,5.775
+Cc1ccc2c(NC3CCCCC3)cc(-c3ccccc3)nc2n1,CHEMBL97624,6.157
+Cc1ccc2c(N)cc(-c3ccccc3)nc2n1,CHEMBL97337,6.48
+Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2n1,CHEMBL316630,6.29
+Nc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL102430,5.17
+CCCn1c(=O)c2nn(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O,CHEMBL100832,4.54
+Cn1c(=O)c2c(nnn2C2CC3CCC2C3)n(C)c1=O,CHEMBL101391,5.35
+Cn1c(=O)c2c(nnn2-c2ccc(Cl)cc2N)n(C)c1=O,CHEMBL328812,4.34
+CCCn1c(=O)c2nn(C3CCCCC3)nc2n(CCC)c1=O,CHEMBL323074,4.66
+Cn1c(=O)c2c(nnn2C2CCCCC2)n(C)c1=O,CHEMBL319555,5.08
+Cn1c(=O)c2nn(C3CC4CCC3C4)nc2n(C)c1=O,CHEMBL319534,4.31
+CCCn1c(=O)c2c(nnn2C2CCCCC2)n(CCC)c1=O,CHEMBL101554,4.64
+Cn1nc2c(=O)n(C)c(=O)n(C)c2n1,CHEMBL100810,4.28
+CCCn1c(=O)c2nn(C3CCCC3)nc2n(CCC)c1=O,CHEMBL100347,4.89
+CCCn1c(=O)c2c(nnn2C2CCCCC2O)n(CCC)c1=O,CHEMBL100440,4.87
+Cn1c(=O)c2nn(C3CCCC3)nc2n(C)c1=O,CHEMBL101525,4.24
+CCCn1c(=O)c2c(nnn2C2CCCC2)n(CCC)c1=O,CHEMBL100346,5.0
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL477,7.7
+Cc1cc(=O)c2ccc(N)nc2[nH]1,CHEMBL321330,5.12
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O,CHEMBL158507,5.68
+Nc1nc(N/N=C\C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL102116,7.7
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OC)cc3)nn12,CHEMBL331111,6.05
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCC)cc3)nn12,CHEMBL122819,6.24
+Nc1nc2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL121593,7.1
+CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL121793,5.01
+Nc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL118164,8.44
+COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL16416,6.42
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL334224,5.8
+COc1ccc(-n2nc3c(N)nc4c(N)cccc4n3c2=O)cc1,CHEMBL116827,5.98
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL421420,7.12
+CCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL120662,4.89
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL332969,5.17
+Nc1cccc2c1nc(N)c1nn(-c3ccc(O)cc3)c(=O)n12,CHEMBL331946,6.74
+O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12,CHEMBL324100,5.48
+O=c1c(-c2ccc(O)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL109691,5.92
+O=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12,CHEMBL7334,5.46
+O=c1c(-c2cccs2)n[nH]c2nc3ccccc3n12,CHEMBL269112,5.99
+O=c1c(-c2ccsc2)n[nH]c2nc3ccccc3n12,CHEMBL7953,5.3
+O=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12,CHEMBL7327,5.89
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL307199,6.55
+Cn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12,CHEMBL7098,5.39
+Cc1cn2c(NC3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL148074,5.39
+CCc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL358076,5.59
+O=C(Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12)C1CCCC1,CHEMBL149732,5.6
+CC(=O)Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12,CHEMBL147582,5.49
+Cc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL355898,5.37
+Cc1cn2c(N)nc(-c3ccccc3)nc2n1,CHEMBL358341,6.17
+CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12,CHEMBL81616,7.64
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2c1C,CHEMBL312503,6.02
+Cc1[nH]c2nc(-c3ccccc3)nc(NCCN3CCNC3=O)c2c1C,CHEMBL82197,6.67
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](CO)CC(C)C)c2c1C,CHEMBL78659,5.94
+Cc1[nH]c2nc(-c3ccccc3)nc(NCc3ccncc3)c2c1C,CHEMBL81863,6.09
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)c2c1C,CHEMBL78595,6.12
+COc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1,CHEMBL122396,6.67
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1,CHEMBL124345,7.55
+COc1cccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)c1,CHEMBL125979,6.98
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1,CHEMBL122806,7.68
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1,CHEMBL122622,7.55
+CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL138332,5.91
+CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL65271,5.98
+Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1,CHEMBL118923,7.084
+Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL324512,6.23
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL324735,6.42
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCCC)cc3)nn12,CHEMBL333860,7.31
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(N(C)C)cc3)nn12,CHEMBL123462,7.31
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCN(C)CC1,CHEMBL309618,5.67
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL420705,5.74
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL45891,6.12
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL139000,6.097
+Cc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL106346,6.48
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL16488,7.05
+Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1,CHEMBL416537,7.84
+Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12,CHEMBL416354,7.73
+Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL273578,7.07
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL274267,5.86
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL279870,7.18
+Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL278197,7.31
+Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL274274,8.19
+Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16643,7.14
+Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc12,CHEMBL419002,6.48
+c1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL107116,5.27
+Nc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12,CHEMBL321441,7.31
+Fc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL104177,5.24
+c1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL106986,5.3
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320741,5.62
+Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc12,CHEMBL107637,5.8
+Cc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1,CHEMBL107414,5.92
+Nc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12,CHEMBL322263,5.24
+Cc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL442005,4.94
+Clc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1,CHEMBL104425,5.38
+Fc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1,CHEMBL317270,5.66
+O=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL241987,5.07
+c1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL104115,5.42
+Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12,CHEMBL104178,4.95
+c1ccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)cc1,CHEMBL106520,6.07
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL400189,5.08
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL2113388,5.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL2113418,6.66
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL73809,5.355
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL444550,6.1770000000000005
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL605034,5.81
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285819,6.83
+O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,CHEMBL440115,5.89
+CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL113512,6.23
+C=CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL114832,6.79
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL322250,6.92
+CCCn1c(=O)c2c(nc3cc(C(C)(C)C)ccn32)n(Cc2ccccc2)c1=O,CHEMBL112098,6.41
+O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,CHEMBL419394,4.59
+O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CC1,CHEMBL112923,6.62
+C#CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL326319,7.02
+Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL287321,4.65
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611562,5.21
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611273,5.22
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611561,5.29
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611552,5.17
+Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL49925,7.89
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21,CHEMBL296389,7.72
+Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL50051,7.96
+Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL301512,7.82
+CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC,CHEMBL51192,7.89
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL48153,7.8
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21,CHEMBL300624,8.04
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21,CHEMBL297685,8.01
+CNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL261453,6.79
+CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL258535,7.19
+CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL574597,5.07
+Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092941,8.15
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL437842,6.57
+CCNc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607759,5.35
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2094083,8.51
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL258534,7.41
+CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092787,7.02
+Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL262363,8.74
+CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092786,6.56
+CNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410115,5.81
+CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092788,7.03
+CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL438418,6.49
+Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL408918,7.54
+CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410095,5.93
+CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL260563,5.91
+CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL3350613,8.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL224874,8.7
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223270,6.21
+Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375190,6.44
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL319387,8.24
+CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL261623,6.71
+CC(C)Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113551,5.96
+CC(C)Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL259938,7.37
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO)c1=O,CHEMBL413079,8.165
+Nc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL281805,9.66
+CCN(CC)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL113189,6.56
+Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccc(Br)o3)nc12,CHEMBL112195,7.46
+CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL113541,7.64
+Nc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccco3)nn12,CHEMBL109845,7.57
+COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL110646,7.21
+Cc1ccc(-c2nc3cc(C(=O)N4CCCCC4)cc(N)n3n2)o1,CHEMBL113228,7.85
+Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)o1,CHEMBL432624,7.12
+CC1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL113967,8.7
+CC1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1,CHEMBL113542,7.82
+CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL112740,7.3
+CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL112631,8.52
+CC1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1,CHEMBL323945,8.52
+CC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL325993,7.21
+Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccccn3)nn12,CHEMBL325646,7.24
+Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Br)o3)nn12,CHEMBL325350,8.05
+Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccco3)nn12,CHEMBL109499,7.96
+COC[C@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL112773,8.7
+Nc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccc(Br)o3)nc12,CHEMBL113376,7.57
+CCCN(C)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL110698,8.22
+Nc1cc(C(=O)N2CCCC2)cc2nc(-c3cccs3)nn12,CHEMBL114405,6.98
+Nc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL109753,6.72
+CC1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL110074,8.4
+Nc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccc(Br)o3)nn12,CHEMBL324077,8.22
+CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL323621,8.4
+CN(CCc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL420307,8.3
+CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1,CHEMBL112897,7.4
+Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccn3)nc12,CHEMBL112249,6.72
+COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL320349,7.92
+CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL113009,7.36
+CC1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL114185,7.57
+Nc1cc(C(=O)N2CCSCC2)cn2nc(-c3ccc(Br)o3)nc12,CHEMBL323754,7.14
+COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL110047,7.8
+Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCCC4)cn3n2)o1,CHEMBL419191,7.24
+Cc1ccc(-c2nc3cc(C(=O)N4CCCC4)cc(N)n3n2)o1,CHEMBL324591,7.77
+Nc1cc(C(=O)N2CCSCC2)cc2nc(-c3ccc(Br)o3)nn12,CHEMBL325237,8.05
+Nc1cc(C(=O)N2CCCC2)cn2nc(-c3cccs3)nc12,CHEMBL433162,6.71
+CCN(CC)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1,CHEMBL110069,8.52
+CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1,CHEMBL332718,8.1
+CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,CHEMBL113468,7.12
+Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccco3)nc12,CHEMBL113412,7.24
+COc1cc(OC)cc(C(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1,CHEMBL2094089,7.527
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],CHEMBL193,4.65
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,4.667
+CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O,CHEMBL87496,4.205
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200732,6.65
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL203357,6.8
+COc1ccc(/C=N/NC(=S)Cc2ccccc2)c(O)c1,CHEMBL166424,7.0
+COc1cccc(-c2nnc(Cc3ccccc3Br)[nH]2)c1,CHEMBL353593,7.7
+S=C(Cc1ccccc1)N/N=C/c1ccc2ccccc2n1,CHEMBL167703,5.92
+COc1cccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c1OC,CHEMBL168895,7.05
+S=C(Cc1ccccc1)N/N=C/c1ccccn1,CHEMBL168481,7.0
+COc1cccc(-c2nnc(Cc3ccc4ccccc4c3)[nH]2)c1,CHEMBL167343,7.0
+Cn1nc(-c2ccc([N-][N+]#N)cc2)nc1-c1cccc(CN2CC=CC2)c1,CHEMBL167977,6.4
+Clc1ccc(Cc2nnc(-c3cnccn3)[nH]2)cc1Cl,CHEMBL170215,7.22
+S=C(Cc1ccccc1)N/N=C/c1cnc2ccccc2c1,CHEMBL424526,5.7
+COc1cccc(-c2nnc(Cc3ccc(C)c(C)c3)[nH]2)c1,CHEMBL165760,7.7
+COc1cccc(-c2nnc(Cc3cccc(F)c3F)[nH]2)c1,CHEMBL166500,7.7
+COc1cccc(-c2nnc(CC3CCCCC3)[nH]2)c1,CHEMBL355390,6.15
+COc1cccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL354321,7.4
+S=C(Cc1ccccc1)N/N=C/c1cccnc1,CHEMBL166429,8.3
+Oc1ccc(OC(F)(F)F)cc1/C=N/NC(=S)Cc1ccccc1,CHEMBL166104,5.85
+COc1cccc(-c2nnc(Cc3cccc(Br)c3)[nH]2)c1,CHEMBL168892,8.0
+O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Cc2ccccc2)c1,CHEMBL168334,8.0
+COc1cccc(-c2nnc(Cc3ccc(F)c(F)c3)[nH]2)c1,CHEMBL166939,7.15
+COc1cc(/C=N/NC(=S)Cc2ccccc2)c(O)c(OC)c1,CHEMBL166548,5.38
+COc1ccc(O)c(/C=N/NC(=S)Cc2ccccc2)c1,CHEMBL168424,7.7
+COc1cccc(-c2nnc(CCc3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL168912,6.0
+COc1cccc(-c2nnc(Cc3cccc([N+](=O)[O-])c3)[nH]2)c1,CHEMBL423082,7.1
+COc1cccc(/C=N/NC(=S)Cc2ccccc2)c1O,CHEMBL167010,5.33
+Oc1ccccc1-c1nnc(-c2ccccc2)[nH]1,CHEMBL167001,6.15
+COc1cccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1,CHEMBL353602,6.15
+c1cc(CN2CCCC2)cc(-c2nnc(-c3ccc4c(c3)OCCO4)[nH]2)c1,CHEMBL424011,6.0
+Clc1ccc(Cc2nnc(-c3ccc4c(c3)OCO4)[nH]2)cc1Cl,CHEMBL355761,7.0
+CCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL302765,6.85
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OCO3)c2nc(-c3ccco3)nn12,CHEMBL307748,8.48
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1OC,CHEMBL69794,8.57
+Nc1nc(NC(=O)CCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36786,5.7
+CCNc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36160,5.11
+Nc1nc(NC(=O)C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL288258,5.75
+Nc1nc(NC(=O)CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL289982,5.34
+Nc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36789,5.62
+O=C(CCc1ccccc1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL279391,5.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC(=O)CCC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL36734,4.97
+Nc1nc(NC(=O)/C=C/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285251,5.39
+Nc1nc(NC(=O)CCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36320,5.71
+O=C(CCC1CCCC1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL36098,5.66
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL137950,6.973
+CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL141154,6.738
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL16867,9.49
+Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL423542,9.78
+COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL422820,6.917000000000001
+CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL137879,8.713
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,8.597000000000001
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL342906,6.697
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,6.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,6.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,6.15
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,5.63
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,5.785
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,6.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275360,7.41
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,7.23
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,6.72
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,7.78
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCCCC2)c(=O)n3CC2CCCCC2)cc1,CHEMBL17103,5.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,7.15
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275427,6.725
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,5.27
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,5.71
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,7.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16931,7.41
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,5.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,6.19
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,5.51
+CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL280888,8.68
+CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL439447,7.3
+COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL22113,8.51
+CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL20888,8.0
+COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL21910,7.82
+CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL554955,7.74
+CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1,CHEMBL21541,6.84
+CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL21572,8.39
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1,CHEMBL20445,7.66
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL281129,8.92
+CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL22085,7.21
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL329791,5.86
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL330286,7.1
+Nc1ncnc2c1ncn2[C@@]12C[C@H]1[C@H](CO)[C@@H](O)[C@H]2O,CHEMBL2112095,4.0
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)c2nc(-c3ccco3)nn12,CHEMBL281626,6.92
+Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@H](C(=O)O)O3)c2nc(-c3ccco3)nn12,CHEMBL22355,7.23
+Nc1nc2c(cnn2CCCc2cc3c(cc2S(=O)(=O)O)OCO3)c2nc(-c3ccco3)nn12,CHEMBL22974,7.12
+Nc1nc2c(cnn2CCCc2ccc(N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL278812,8.96
+N=C(NO)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL2112948,9.74
+NCc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22320,9.89
+CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22200,9.37
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL22968,7.0
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12,CHEMBL278805,9.23
+Nc1nc2c(cnn2CCc2ccc(S(N)(=O)=O)cc2)c2nc(-c3ccco3)nn12,CHEMBL23745,8.88
+Nc1nc2c(cnn2CCCc2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)nn12,CHEMBL22241,9.0
+N=C(N)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL281601,8.36
+CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL442338,8.4
+Nc1nc2c(cnn2CCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17121,8.92
+Nc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22316,7.26
+Nc1nc2c(cnn2CCCc2ccc(C(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL279254,8.33
+CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22500,8.32
+N=C(NO)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22822,8.22
+Nc1nc2c(cnn2CCc2ccc(N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL22202,9.92
+N#Cc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL22191,7.07
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(CO)(CO)O3)c2nc(-c3ccco3)nn12,CHEMBL282888,9.72
+CN1CCN(S(=O)(=O)c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)CC1,CHEMBL418564,8.42
+Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)NCC(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL22881,7.3
+Nc1nc2c(cnn2CCCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL278605,6.85
+CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2O1,CHEMBL279062,8.26
+CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165073,6.47
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL141550,8.02
+CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167915,6.3
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL341376,6.37
+CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL355415,5.95
+Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL354161,6.16
+CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165910,6.21
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL349716,7.0
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349240,6.83
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL350042,6.92
+CCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL164647,6.88
+CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164381,6.85
+CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL352345,6.82
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164905,6.85
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352073,6.8
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL166684,7.62
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164509,7.47
+CCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350573,6.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349954,7.51
+CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349464,6.51
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164904,6.45
+CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL163968,6.4
+CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL352192,6.42
+CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165778,7.38
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165620,7.3
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL353299,6.4
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350205,7.3
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL168018,7.21
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL352707,6.31
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350830,7.18
+CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164685,7.22
+CCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165044,7.28
+CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL166301,6.18
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL349611,7.04
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL165560,7.0
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164325,7.02
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL351075,7.92
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL424161,6.95
+CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL350261,6.95
+Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344501,5.92
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572765,6.92
+Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164686,6.85
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL349019,6.84
+COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1,CHEMBL164992,6.8
+COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL351211,6.74
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167753,6.74
+Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL164281,6.7
+CCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164867,6.6
+CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348975,7.52
+CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165600,7.4
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164275,6.45
+CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352796,7.4
+CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165083,6.24
+Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165224,6.17
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL423934,7.02
+COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL144979,8.03
+Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348925,7.0
+Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL351285,6.96
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL132806,7.24
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL336217,7.38
+O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL134566,7.22
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL435022,7.42
+O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL138593,7.35
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL335950,6.31
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL541455,7.29
+O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL341777,7.4
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL135719,7.26
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL201706,7.7
+NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113451,7.06
+Nc1nc(/N=N/NC(=O)Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113460,7.6
+Nc1nc(N=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113464,6.14
+Nc1nc(/N=N/NC(=O)NC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113452,7.6
+CCNC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113444,7.72
+Nc1nc(/N=N/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113463,6.74
+Nc1nc(/N=N/NC(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113453,6.0
+Nc1nc(/N=N/NC(=O)Nc2nccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113454,7.6
+Nc1nc(/N=N/NC(=O)NCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113446,7.6
+Nc1nc(/N=N/NC(=O)Nc2ccccc2Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113445,7.35
+O=C(N/N=N/c1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113461,7.61
+O=C(N/N=N/c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113456,6.01
+COc1ccccc1NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113458,6.9
+COc1ccc(NC(=O)NN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113455,7.6
+O=C(N/N=N/c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113457,6.68
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,9.11
+CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL145623,9.1
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,8.8
+C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL304726,6.75
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,7.7
+COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL359379,5.69
+Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL342059,8.55
+O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL142562,6.61
+Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL144972,6.46
+COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL145734,5.49
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL341852,5.44
+CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL414620,7.35
+COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL357663,6.26
+COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL358735,7.19
+COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL145767,6.28
+CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344724,6.1
+Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12,CHEMBL146658,6.05
+CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL342500,6.96
+CC(C)CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL359044,6.94
+COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL142926,5.99
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O,CHEMBL131457,9.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL131242,10.1
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL435188,8.21
+OC[C@H]1O[C@@H](n2cnc3c(NCCc4cccc(Cl)c4)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL339522,7.41
+Nc1nc(NC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL128176,8.29
+OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL131175,7.44
+Nc1nc(N[C@@H]2CCC[C@H]2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL334336,9.1
+Nc1nc(N[C@H]2CCC[C@@H]2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL131535,8.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@H]4CC[C@H](N)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL337080,10.3
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC[C@@H]4O)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL131280,6.77
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL340674,8.66
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cnc[nH]4)nc32)[C@H](O)[C@@H]1O,CHEMBL336608,10.52
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC(CC)CC)nc32)[C@H](O)[C@@H]1O,CHEMBL131534,7.07
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL446616,7.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O,CHEMBL130830,10.0
+CCn1c(C#Cc2ccccc2)nc2c(N)ncnc21,CHEMBL61259,6.22
+Nc1ncnc2c1nc(/C=C/C(=O)c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3350496,4.33
+Nc1nc(-c2cnn(CCc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL101663,5.23
+Nc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL97937,6.15
+CCCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL98659,6.92
+Nc1nc(-n2cc(C(=O)NC3CCCC3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL329712,6.42
+CCOC(=O)CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL318732,6.01
+NC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL101383,5.87
+Nc1nc(-c2cnn(CCCc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL100348,5.78
+COc1ccc(-c2cnn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL318928,6.485
+CC(C)n1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL98221,5.0
+CCCCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL102035,5.67
+Nc1nc(-c2cnn(CC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL99983,6.06
+CCOC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL101218,5.89
+Cc1ccc(-c2cnn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL98597,6.31
+Nc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL318483,5.95
+Nc1nc(-c2cnn(CCC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL99052,5.46
+CCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL99169,6.42
+CC(C)(C)c1ccc(Cn2cc(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)cn2)cc1,CHEMBL98802,5.62
+CN(C)C(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL415118,6.36
+C=CCCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL319608,5.77
+Nc1nc(-c2cnn(CCCC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL100876,5.18
+Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl,CHEMBL189192,7.0
+O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL363807,5.64
+CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL184557,5.4
+CCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL400414,5.4
+CCCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL188482,5.48
+COc1ccc(-c2cnn(-c3nc(NCc4cccc(I)c4)c4ncn(C5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL361075,5.4
+CCNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL231891,5.74
+OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5nccc6ccccc56)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL363458,7.28
+CNc1nc(-n2cc(-c3cccnc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL186443,5.39
+CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL361072,5.6
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL175543,5.64
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(F)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112155,5.29
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112156,5.89
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368363,6.32
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL353319,5.92
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCC(N)=O)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368368,6.1
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCc4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368369,6.07
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368364,6.37
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)c(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368365,5.96
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112163,5.32
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368366,5.8
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccccc4C)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112158,5.42
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112160,5.43
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193385,5.85
+COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL191809,6.4
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193421,5.6
+Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL331382,6.12
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL364671,5.64
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,6.07
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,5.8
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL280580,5.21
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27376,6.11
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Br)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368455,5.89
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265587,7.02
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360646,6.57
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL361925,8.3
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL368880,7.42
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360837,8.3
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL186403,7.32
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC4CCC3C4)c2[nH]1,CHEMBL446698,4.41
+c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL188592,5.77
+CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL366216,5.21
+c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL187458,5.39
+c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL365026,4.34
+c1ccc(Nc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,CHEMBL2113046,5.11
+c1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL191270,4.85
+Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188967,5.92
+Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188958,5.53
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113642,5.49
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL2113608,5.56
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@]1(C)O,CHEMBL2113640,5.4
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL194031,5.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL178662,5.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL368442,6.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5C(F)(F)F)no4)cc3)nc2n(CCC)c1=O,CHEMBL183183,5.5
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL180236,6.0
+Nc1nc(-c2ccco2)c2ncn(-c3ccccc3)c2n1,CHEMBL439336,7.16
+Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1,CHEMBL196436,7.43
+Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1,CHEMBL194383,6.57
+Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1,CHEMBL193761,8.17
+CC(c1ccccc1)n1cnc2c(-c3ccco3)nc(N)nc21,CHEMBL372064,6.42
+COc1ccccc1Cn1cnc2c(-c3ccco3)nc(N)nc21,CHEMBL195866,7.66
+COc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL371436,8.03
+COc1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL195410,8.11
+CC(C)c1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL195294,8.0
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc(Cl)cc3)c2n1,CHEMBL195330,7.67
+Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1,CHEMBL371615,8.435
+Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cc(F)cc3F)c2n1,CHEMBL372928,7.59
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)c(F)c3)c2n1,CHEMBL197148,8.06
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)cc3F)c2n1,CHEMBL372475,8.55
+Nc1nc(-c2ccco2)c2ncn(Cc3cc4c(cc3Cl)OCO4)c2n1,CHEMBL195543,8.2
+Nc1nc(-c2ccco2)c2ncn(Cc3c(Cl)cccc3Cl)c2n1,CHEMBL193414,8.15
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1,CHEMBL193613,8.25
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1,CHEMBL195364,8.85
+Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3CS(=O)(=O)c3ccccc3)c2n1,CHEMBL195503,8.51
+N#Cc1cccc(-c2nc(NC(=O)O)sc2-n2cncn2)c1,CHEMBL1161797,5.25
+N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1,CHEMBL195140,5.69
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1,CHEMBL193977,5.59
+N#Cc1cccc(-c2nc(Nc3ccncc3)sc2-n2cncn2)c1,CHEMBL365172,5.38
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1,CHEMBL2113094,5.45
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1,CHEMBL372182,5.57
+Cc1cccnc1Nc1nc(-c2cccc(C#N)c2)c(-n2ccnc2)s1,CHEMBL2115302,5.57
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1,CHEMBL2113095,6.46
+Cc1cccc(Nc2nc(-c3cccc(C#N)c3)c(-n3ccnc3C)s2)n1,CHEMBL197103,6.76
+Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1,CHEMBL2113096,5.78
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O,CHEMBL2112161,5.0
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112157,5.0
+Cc1ccc2c([N-][N+]#N)c(Cc3ccccc3)cnc2n1,CHEMBL194401,5.37
+Cc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL194331,7.41
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL195522,6.75
+Cc1ccc2c(=O)c(C(=O)NN3CCN(C)CC3)c[nH]c2n1,CHEMBL194756,5.65
+Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)c[nH]c2n1,CHEMBL373317,6.055
+Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)c[nH]c2n1,CHEMBL194704,6.425
+Cc1ccc2c(=O)c(C(=O)NCCC(C)C)c[nH]c2n1,CHEMBL194860,6.015
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c2n1,CHEMBL196665,6.82
+Cc1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1,CHEMBL194956,6.765
+Cc1ccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c2n1,CHEMBL371131,6.835
+Cc1ccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c2n1,CHEMBL196138,7.405
+Cc1ccc2c(=O)c(C(=O)NC(C)c3ccccc3)c[nH]c2n1,CHEMBL383134,6.93
+Nc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL196306,6.285
+Nc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL196375,6.66
+Cc1ccc2c(=O)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c[nH]c2n1,CHEMBL194696,7.0
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(N)cc3)c[nH]c2n1,CHEMBL193509,6.84
+CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1,CHEMBL194457,5.78
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(NC(=O)c4ccccc4)cc3)c[nH]c2n1,CHEMBL263819,6.23
+CC(=O)Nc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL197030,5.17
+O=C(NCc1ccccc1)c1c[nH]c2nc(Cl)ccc2c1=O,CHEMBL194539,7.17
+O=C(NCc1ccccc1)c1c[nH]c2nc(Br)ccc2c1=O,CHEMBL370883,5.45
+O=C(NCc1ccccc1)c1c[nH]c2ncccc2c1=O,CHEMBL193766,5.93
+CN(C)c1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL194452,7.24
+Cn1c(-n2nccn2)nc2c(N)ncnc21,CHEMBL194728,7.33
+Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL194290,7.15
+CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL197669,8.138
+CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL196258,8.48
+Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21,CHEMBL196259,8.33
+CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL195001,6.32
+CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL198942,7.08
+Cn1c(-n2nccn2)nc2c(N)nccc21,CHEMBL198200,7.29
+Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1,CHEMBL197682,6.92
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1204225,7.29
+O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1,CHEMBL68500,6.03
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2112177,5.19
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL573937,5.49
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12,CHEMBL316824,5.29
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3cccs3)nc12,CHEMBL94830,5.19
+O=c1[nH]c2ccccc2n2nc(-c3ccco3)nc12,CHEMBL330399,5.32
+Nc1nc2ccc(Cl)cc2n2nc(-c3ccccc3)nc12,CHEMBL200835,6.79
+CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1,CHEMBL8966,5.31
+c1ccc2nc(-c3nc4ccccc4[nH]3)cnc2c1,CHEMBL200636,6.25
+CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1,CHEMBL372580,6.48
+CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21,CHEMBL198461,6.14
+Cc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198779,6.08
+CSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198054,5.52
+CCSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198008,5.46
+CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL200780,5.82
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL200451,5.77
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL427016,5.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5Cl)on4)c3)nc2n(CCC)c1=O,CHEMBL200154,5.57
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O,CHEMBL252245,6.38
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5OC)n4)c3)nc2n(CCC)c1=O,CHEMBL372951,5.47
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)nc2n(CCC)c1=O,CHEMBL199732,5.6
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O,CHEMBL252045,5.74
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200349,5.52
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5OC)no4)c3)nc2n(CCC)c1=O,CHEMBL200278,5.8
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL372084,5.74
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200779,5.96
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5Cl)no4)c3)nc2n(CCC)c1=O,CHEMBL200370,5.6
+CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL199877,5.56
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200184,5.31
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200705,6.22
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL381868,6.49
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL381408,6.04
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL202189,6.83
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200854,6.53
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL370446,6.49
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200279,5.65
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200407,6.26
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL370187,5.88
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200099,6.37
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL200072,6.69
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL199541,5.41
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL201022,8.67
+Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccccc4)c3)cc2n(C)c1=O,CHEMBL199330,6.69
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc21,CHEMBL438071,6.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201145,7.51
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccco4)cc3)cc2n(C)c1=O,CHEMBL201796,6.5
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21,CHEMBL201554,6.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4ccc(I)cc4)cn3)nc2n(CCC)c1=O,CHEMBL201407,7.96
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O,CHEMBL199280,7.1
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21,CHEMBL380481,6.71
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL381473,6.14
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201447,6.15
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL203359,6.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201024,6.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201679,6.61
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199722,6.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199898,7.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199834,7.07
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199327,7.13
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C5=NC(C)(C)CO5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL198294,7.04
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199399,7.25
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL370629,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)nc2n(CCC)c1=O,CHEMBL27043,6.77
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199326,7.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL425395,7.35
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201791,7.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Br)c2n(CCC)c1=O,CHEMBL203030,7.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201321,6.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL203148,7.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381522,6.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4O)cc3)cc2n(CCC)c1=O,CHEMBL383321,7.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201054,7.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201042,6.55
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199583,7.16
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(NC(C)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL200967,7.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Br)c2n(CCC)c1=O,CHEMBL202359,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NCCc5ccc(OC)cc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL377434,6.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL202358,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC#N)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381540,7.4
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL198338,7.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL202665,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OCc5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL377485,7.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201128,7.77
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL201157,7.27
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201749,7.1
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201008,7.28
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201493,7.5
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL202767,7.41
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL202766,6.98
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381091,7.72
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201281,7.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL380847,7.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O,CHEMBL382764,7.5
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(C#N)cc1,CHEMBL201585,6.24
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CCN)cc4)cc3)cc2n(C)c1=O,CHEMBL200105,6.78
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccccc1,CHEMBL199354,6.52
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(F)cc1,CHEMBL199353,7.34
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc2n(C)c1=O,CHEMBL201745,6.16
+COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL426660,5.98
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(Br)cc1,CHEMBL201243,7.09
+COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL199485,7.02
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O,CHEMBL199884,6.67
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL201721,6.11
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O,CHEMBL381214,7.09
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1,CHEMBL199611,7.32
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O,CHEMBL382135,7.34
+COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201750,5.31
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL199446,7.19
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O,CHEMBL370378,5.91
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1,CHEMBL370588,7.57
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(CC)c1=O,CHEMBL201496,6.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL203088,6.77
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(C)c1=O,CHEMBL383638,5.58
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21,CHEMBL381538,6.95
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CC)c1=O,CHEMBL203413,6.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL201127,7.18
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O,CHEMBL372148,5.58
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)Nc1ccccc1,CHEMBL199862,7.81
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)NCc1ccc(Cl)cc1,CHEMBL382234,6.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201006,7.31
+COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201580,6.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL197605,7.22
+COc1cccc(CNC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)c1,CHEMBL199826,6.48
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL199688,6.74
+CCN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL202876,6.05
+CC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1,CHEMBL202828,6.61
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL201323,7.36
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O,CHEMBL203305,7.69
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)NCc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201028,7.33
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL201773,7.05
+Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)cc2n(C)c1=O,CHEMBL382663,7.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccncc4)cc3)cc2n(CCC)c1=O,CHEMBL201895,6.52
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)cc2n(CCC)c1=O,CHEMBL424671,6.51
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)nc(=O)n(C)c4O)cc3)cc2n(CCC)c1=O,CHEMBL201026,7.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ncccc4O)cc3)cc2n(CCC)c1=O,CHEMBL201329,6.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)n4ccc(N)n4)cc3)cc2n(CCC)c1=O,CHEMBL370205,7.58
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nncs4)cc3)cc2n(C)c1=O,CHEMBL378815,7.79
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cn4)cc3)cc2n(CCC)c1=O,CHEMBL201595,6.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O,CHEMBL201594,7.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O,CHEMBL379688,6.97
+CCCn1c(=O)c2[nH]c(-c3ccc(N(C=O)CC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201293,7.45
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(C)c1=O,CHEMBL203037,6.88
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC,CHEMBL200012,5.43
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3CCCOC)cc1,CHEMBL199664,5.73
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL201548,5.71
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,CHEMBL201133,4.94
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201523,6.4
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,CHEMBL382413,5.38
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O,CHEMBL201108,6.31
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O,CHEMBL198191,6.03
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(CC)c(=O)n3CCCOC)cc1,CHEMBL201650,6.35
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,CHEMBL198243,6.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)O)cc3)cc2n(CCC)c1=O,CHEMBL199697,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,CHEMBL198345,5.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O,CHEMBL200112,6.91
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(Br)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL201789,7.03
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(F)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL378383,6.73
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(C(=O)OCC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL383319,7.49
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(C(C)=O)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL199802,7.06
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL201692,7.72
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(Br)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL201159,7.6
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)c4ccc(F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL426656,7.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201239,6.97
+CN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL203196,5.99
+Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL204753,6.39
+Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)s1,CHEMBL203506,6.04
+Cn1cc2c(nc(NC(=O)Nc3ccc4ccccc4n3)n3nc(-c4ccco4)nc23)n1,CHEMBL262987,6.09
+Cn1cc2c(nc(NC(=O)Nc3cc4ccccc4o3)n3nc(-c4ccco4)nc23)n1,CHEMBL203054,7.22
+Cn1cc2c(nc(NC(=O)Nc3ccoc3)n3nc(-c4ccco4)nc23)n1,CHEMBL381123,6.4
+Cn1cc2c(nc(NC(=O)Nc3ccco3)n3nc(-c4ccco4)nc23)n1,CHEMBL382665,6.46
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1,CHEMBL203998,6.96
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+]([O-])c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203060,7.12
+Cn1cc2c(nc(NC(=O)Nc3cc[n+]([O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL382357,6.82
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1,CHEMBL383689,7.19
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203660,7.38
+Cn1cc2c(nc(NC(=O)Nc3cc[n+](C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL204128,6.55
+Cn1cc2c(nc(NC(=O)Nc3ccccn3)n3nc(-c4ccco4)nc23)n1,CHEMBL534936,6.795
+Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1,CHEMBL534489,6.855
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL205225,5.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL207408,5.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(C(=O)OC)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL383643,6.84
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(C(=O)O)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL205946,5.42
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O,CHEMBL381972,6.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@@H]1O,CHEMBL205850,6.43
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL378810,6.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(OC)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL383836,6.68
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O,CHEMBL205327,6.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL204527,6.89
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL204526,7.23
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL208160,6.82
+CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL376968,6.33
+CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL208238,6.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@H](C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL381108,6.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@@H](C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL205226,5.67
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCC(C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL382141,5.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL208264,6.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL204366,5.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL208311,6.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL439335,6.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(N)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL378367,5.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205531,6.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205768,6.03
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4=CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL206090,5.17
+CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL205788,6.24
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL204634,6.27
+c1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL381729,7.28
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1,CHEMBL207529,6.93
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1,CHEMBL207824,7.26
+CC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL204780,6.83
+CCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL424869,6.78
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1,CHEMBL378959,7.18
+Cc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205194,6.54
+Clc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205586,6.5
+c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL442333,5.5
+Cc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL210380,5.28
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,4.29
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209831,6.25
+CCCn1c(=O)c2[nH]c(-c3cnn(CCCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL210319,6.66
+CCCn1c(=O)c2[nH]c(-c3cnn(CCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209217,6.24
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL254725,6.54
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CCC)c1=O,CHEMBL380176,6.64
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL208920,5.37
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL378743,5.89
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC(C)C)c1=O,CHEMBL441530,5.96
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCCC)c1=O,CHEMBL383201,6.05
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL210808,6.35
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL426504,6.54
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL210271,6.92
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL208824,6.16
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL261722,6.7
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL437301,5.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378598,5.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL209174,7.15
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4F)c3)nc2n(CCC)c1=O,CHEMBL210609,6.34
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4F)c3)nc2n(CCC)c1=O,CHEMBL210213,6.06
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)c(F)c4)c3)nc2n(CCC)c1=O,CHEMBL210212,6.55
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O,CHEMBL207434,6.82
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL251870,6.4
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)nc2n(CCC)c1=O,CHEMBL208110,6.64
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)cc4)c3)nc2n(CCC)c1=O,CHEMBL379474,6.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O,CHEMBL251869,6.64
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4F)c3)nc2n(CCC)c1=O,CHEMBL210649,7.22
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(Cl)cc4)c3)nc2n(CCC)c1=O,CHEMBL380284,7.06
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4)c3)nc2n(CCC)c1=O,CHEMBL210938,7.1
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378652,7.31
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(OC)cc4)c3)nc2n(CCC)c1=O,CHEMBL210683,7.21
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(OC)c4)c3)nc2n(CCC)c1=O,CHEMBL210150,7.15
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4OC)c3)nc2n(CCC)c1=O,CHEMBL380219,6.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C)cc4)c3)nc2n(CCC)c1=O,CHEMBL207524,7.1
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4)c3)nc2n(CCC)c1=O,CHEMBL378570,7.18
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C)c3)nc2n(CCC)c1=O,CHEMBL210747,7.29
+Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL380031,6.2
+Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL211183,5.31
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL209943,5.45
+COc1ccc(-n2nc3c(NC(C)=O)nc4c(N)cccc4n3c2=O)cc1,CHEMBL210642,5.96
+COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL212458,5.18
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL209927,5.94
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,7.49
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL212625,6.32
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL211521,6.11
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209230,6.79
+CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL414157,5.19
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL216200,4.74
+CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL218458,6.26
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216269,5.8
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL450341,5.36
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](CO)CC3)nc2n(CCC)c1=O,CHEMBL384139,6.5
+CCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCC)c1=O,CHEMBL385372,6.17
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,5.78
+CCCn1c(=O)c2[nH]c(C34CCC(/C=C/C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217076,5.48
+CCCn1c(=O)c2nc(C34CCC(C=O)(CC3)CC4)[nH]c2n(CCC)c1=O,CHEMBL216517,6.1
+CCCn1c(=O)c2nc(C34CCC(CO)(CC3)CC4)[nH]c2n(CCC)c1=O,CHEMBL438827,6.38
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL438823,6.04
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)N5CCC(C(=O)O)CC5)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL385856,5.11
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL384257,5.85
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL386777,5.1
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL424908,6.17
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCN(C)C)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217541,6.88
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217179,5.97
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](NC(=O)OCc4ccccc4)CC3)nc2n(CCC)c1=O,CHEMBL274199,5.53
+CCCn1c(=O)c2nc([C@H]3CC[C@H](C(=O)NCCN(C)C)CC3)[nH]c2n(CCC)c1=O,CHEMBL387440,6.77
+CCCCNC(=O)[C@H]1CC[C@H](c2nc3c(=O)n(CCC)c(=O)n(CCC)c3[nH]2)CC1,CHEMBL217085,5.65
+CCCn1c(=O)c2nc([C@H]3CC[C@H](COCc4ccccc4)CC3)[nH]c2n(CCC)c1=O,CHEMBL214228,5.57
+COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL218378,5.22
+COc1ccc(Cl)c(CNc2nc([N-][N+]#N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL386698,5.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc[nH]4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218989,5.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4sccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL409483,5.42
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL425643,5.77
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccsc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218988,5.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL217952,6.2
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL218585,5.39
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL219413,5.31
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL219411,5.68
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)o4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411332,5.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(Br)o4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL219361,5.92
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL218596,5.81
+CCSc1nc(N)nc(-c2ccccc2)n1,CHEMBL220445,8.3
+CSc1nc(N)nc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n1,CHEMBL373827,7.51
+COc1ccc(-c2cccc(-c3nc(N)nc(SC)n3)c2)cn1,CHEMBL426530,7.64
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)nc1N,CHEMBL375764,6.39
+CCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O,CHEMBL222201,6.57
+N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2cccnc2)nc1N,CHEMBL448781,6.68
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N,CHEMBL223828,6.7
+COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O,CHEMBL375164,6.82
+Cc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1,CHEMBL376920,6.93
+N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1N,CHEMBL220118,6.97
+N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N,CHEMBL220684,7.05
+N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N,CHEMBL412622,7.06
+Fc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1,CHEMBL374236,6.34
+COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1,CHEMBL220287,6.54
+Fc1ccc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1,CHEMBL221220,6.54
+Fc1ccc(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1,CHEMBL221219,6.54
+N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2,CHEMBL221155,6.63
+O=c1[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1,CHEMBL374938,6.72
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCCC4)[nH]c3n2)cc1,CHEMBL219160,6.71
+CC(C)(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220053,5.98
+CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL385109,6.61
+CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221486,6.72
+CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221343,6.64
+CCCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL376648,6.94
+CCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL222130,6.75
+Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220587,6.43
+c1ccc(-c2cc(-c3ccccc3)c3nc[nH]c3n2)cc1,CHEMBL220535,7.41
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL221206,4.79
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223786,5.38
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL220386,5.2
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374336,4.57
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374792,5.34
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL374462,5.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374242,5.18
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL375301,5.28
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223625,4.98
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL427077,4.73
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL220334,4.5
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223456,4.83
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL223514,4.74
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL385771,4.92
+CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1162942,5.75
+CON=c1[nH]c(C#Cc2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220158,5.75
+CON=c1[nH]c(C#Cc2ccc(C(N)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223740,5.5
+CON=c1[nH]c(C#Cc2ccc(C(C)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL385770,5.57
+CON=c1[nH]c(C#Cc2ccc(CC#N)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220335,5.51
+CON=c1[nH]c(C#Cc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373578,5.08
+CON=c1[nH]c(C#Cc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223739,5.4
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374320,5.19
+CON=c1[nH]c(C#Cc2ccc(C)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426537,4.45
+CON=c1[nH]c(C#Cc2ccncc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220899,5.2
+CON=c1[nH]c(C#Cc2cccnc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223328,4.9
+CON=c1[nH]c(C#Cc2ccccn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223327,5.53
+CON=c1[nH]c(C#CC2CCCCC2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223326,7.04
+CON=c1[nH]c(C#CCC(C)O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219888,6.12
+CON=c1[nH]c(C#CCCCC#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375619,5.74
+CON=c1[nH]c(C#C[Si](C)(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL267421,5.24
+CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL220889,6.57
+C#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL374019,5.5
+CON=c1[nH]c(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,CHEMBL441707,5.37
+CON=c1[nH]c(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223472,4.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL376542,6.2
+Nc1nc(OCCc2cc3ccccc3[nH]2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374461,6.43
+Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222945,7.02
+Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1,CHEMBL375080,5.57
+Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223366,7.35
+Nc1nc(OCCc2ccsc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225287,7.88
+Nc1nc(OCCc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225233,7.96
+Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374760,7.79
+Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426928,7.25
+Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225593,7.16
+Nc1nc(OCCc2ccccc2F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225535,7.24
+C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1,CHEMBL222392,6.38
+Nc1nc(OCCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387324,6.28
+Nc1nc(OCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374151,6.3
+Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374685,8.03
+Nc1nc(OCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387354,6.24
+CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL223846,6.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@@H]1O,CHEMBL223845,6.6
+Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(NC(=N)N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1,CHEMBL2113270,6.46
+N=C(N)Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113271,6.56
+Nc1nc(OCCn2cnc3ccccc32)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL221363,5.41
+Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222500,6.35
+COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1,CHEMBL374028,5.85
+Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223729,6.6
+Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL434377,7.4
+Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225459,6.82
+Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222907,7.53
+Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222748,6.05
+Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222194,6.3
+Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222442,6.41
+Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373478,6.43
+Cc1ccc(S(=O)(=O)n2c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)cc3ccccc32)cc1,CHEMBL221777,5.59
+CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL426565,6.497000000000001
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CC1,CHEMBL224835,6.64
+CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL222718,6.155
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1,CHEMBL222496,6.68
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL375631,6.71
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCC1,CHEMBL223978,6.75
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1,CHEMBL388113,6.72
+CCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL223977,6.05
+CCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL390535,6.42
+CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL387322,6.8
+CC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222433,6.42
+CCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222384,6.95
+CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222474,7.08
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1,CHEMBL225460,6.71
+CCCNc1c(C(=O)OC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL225341,5.12
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL427255,5.82
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224083,5.12
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL390096,5.87
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL223340,5.7
+CCCNc1c(C(=O)OCCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL223451,5.86
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL376193,5.81
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL391004,5.91
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL225026,5.12
+CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL388145,7.35
+COc1ccc(Cl)cc1CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL437923,5.4
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@@H]1O,CHEMBL227279,5.8
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL413686,6.47
+O=C1NCC[C@@]12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL344187,4.53
+CCOC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL398588,5.62
+CCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232100,5.85
+CNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232099,6.14
+OCc1cnn(-c2nc(Nc3ncc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429619,6.45
+OCc1cnn(-c2nc(Nc3cnccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429073,5.93
+OCc1cnn(-c2nc(Nc3ccc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232096,6.62
+OCc1cnn(-c2nc(Nc3ccncc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL399621,5.83
+OCc1cnn(-c2nc(Nc3ccccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234136,5.93
+Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL400013,5.63
+COc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL388458,6.31
+Cc1cccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)c1,CHEMBL242424,5.555
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccc(C)cc3)nc12,CHEMBL388459,5.82
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL441145,6.2
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL239864,5.54
+Cn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(C)c1=O,CHEMBL239232,5.34
+Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL236958,6.87
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL398788,6.92
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235935,6.2
+COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235719,6.58
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235718,6.34
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL398787,5.32
+O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1ccccc1,CHEMBL235294,5.99
+Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1,CHEMBL392136,8.64
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL235076,7.17
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL394064,8.33
+COc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL235075,8.05
+Cc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL394063,7.3
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL397821,6.31
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12,CHEMBL235071,7.7
+CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL240279,4.46
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4N5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL391031,5.11
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CC[Se]C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL240065,5.26
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCSC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL391029,5.01
+CCCn1cnc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL248298,8.23
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5cccc[n+]5[O-])nc43)CC2)cc1,CHEMBL392386,7.05
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccccn5)nc43)CC2)cc1,CHEMBL246675,7.9
+C=c1ccccc1=C1N=C2c3ncn(CCN4CCN(c5ccc(OCCOC)cc5)CC4)c3N=C(N)N2N1,CHEMBL246674,7.69
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccccc5C(F)(F)F)nc43)CC2)cc1,CHEMBL247900,8.0
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccccc5F)nc43)CC2)cc1,CHEMBL246673,8.03
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5cccc(F)c5)nc43)CC2)cc1,CHEMBL246469,8.7
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccccc5)nc43)CC2)cc1,CHEMBL246468,8.43
+Nc1nc2c(ncn2CCN2CCN(c3ccc(Cl)cn3)CC2)c2nc(-c3ccco3)nn12,CHEMBL246467,9.05
+Cc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)nc1,CHEMBL392169,9.0
+Nc1nc2c(ncn2CCN2CCN(c3nccs3)CC2)c2nc(-c3ccco3)nn12,CHEMBL246263,8.77
+Nc1nc2c(ncn2CCN2CCN(c3ncc(F)cn3)CC2)c2nc(-c3ccco3)nn12,CHEMBL246262,8.85
+Nc1nc2c(ncn2CCN2CCN(c3cccc(Cl)c3)CC2)c2nc(-c3ccco3)nn12,CHEMBL246261,9.4
+Nc1nc2c(ncn2CCN2CCN(c3ccc(Cl)cc3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL246055,9.52
+Nc1nc2c(ncn2CCN2CCC(c3ccc(F)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL392168,9.05
+COCCOc1ccc(C2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL246054,9.15
+Nc1nc2c(ncn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL246053,9.15
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(C(F)(F)F)c1,CHEMBL391953,9.4
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1,CHEMBL245849,9.1
+COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL395472,9.05
+COc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL245848,10.0
+Nc1nc2c(ncn2Cc2ccccc2C(F)(F)F)c2nc(-c3ccco3)nn12,CHEMBL398083,8.34
+Nc1nc2c(ncn2Cc2ccccc2Cl)c2nc(-c3ccco3)nn12,CHEMBL245847,8.77
+Nc1nc2c(ncn2Cc2ccccc2Br)c2nc(-c3ccco3)nn12,CHEMBL245646,8.34
+Nc1nc2c(ncn2Cc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL245645,8.82
+Nc1nc2c(ncn2CCN2CCN(c3ccccc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL248300,8.77
+Nc1nc2c(ncn2CCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL398046,8.39
+Nc1nc2c(ncn2CCN2CCOCC2)c2nc(-c3ccco3)nn12,CHEMBL248299,8.2
+Nc1nc2c(cnn2CCN2CCN(c3ccccc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL239817,8.8
+Nc1nc2c(cnn2CCN2CCN(c3c(F)cc(F)cc3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL239809,8.96
+Nc1nc2c(cnn2CCN2CCN(c3ccc(F)c(F)c3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL401242,9.22
+Nc1nc2c(cnn2CCN2CCN(c3ccc(F)c(F)c3)CC2)c2nc(-c3ccco3)nn12,CHEMBL241110,8.85
+Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL241109,9.22
+Nc1nc2c(cnn2CCN2CCN(c3ccccc3F)CC2)c2nc(-c3ccco3)nn12,CHEMBL400215,9.22
+Nc1nc2c(cnn2CCN2CCN(c3ccc(Cl)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL240213,9.3
+Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL240212,9.0
+N#Cc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL240211,8.68
+CCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL400214,8.85
+Nc1nc2c(cnn2CCN2CCN(c3ccc(O)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL240030,8.89
+Nc1nc2c(cnn2CCN2CCN(c3ccc(OCCOC4CC4)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL240847,9.22
+COCCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL240846,9.22
+CS(=O)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL240647,8.66
+CC(=O)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL392475,9.1
+COC(C)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL240626,8.8
+Nc1nc2c(cnn2CCN2CCN(c3ccc(OCCO)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL240625,9.22
+COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1,CHEMBL393410,9.4
+COc1ccccc1CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL238419,4.95
+Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL399529,8.54
+O=C(CN1CCOCC1)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL252345,8.8
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1,CHEMBL251975,8.552999999999999
+CN(C)CC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL399577,8.28
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccco3)n2)n1,CHEMBL252171,8.7
+CN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccco3)n2)CC1,CHEMBL398272,9.05
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL252198,5.34
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254896,4.8
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL399514,5.06
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254064,4.98
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251873,5.42
+O=c1[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL253252,7.0
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL404131,5.76
+O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL252069,5.56
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251874,5.47
+Cc1ccc(-c2nc(NC(=O)COc3ccccc3F)cc(-c3nccs3)n2)o1,CHEMBL404739,8.12
+Cc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc(C)n1,CHEMBL253528,9.15
+Cc1cc(C)nc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)n1,CHEMBL404864,8.43
+COc1cc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)ccc1CN(C)C,CHEMBL253317,9.52
+COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1,CHEMBL429125,9.7
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccc(CN(C)C)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL404863,9.52
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CCN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256755,8.92
+COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1,CHEMBL402781,8.24
+COc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(CN(C)C)c1,CHEMBL429850,9.05
+Cc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(CN(C)C)c1,CHEMBL256548,9.0
+Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CN(C)C)nc(-c3ccc(C)o3)n2)n1,CHEMBL256547,9.0
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256546,8.64
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL403846,9.3
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256327,8.85
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256332,9.3
+Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256331,9.3
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL403845,9.335
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL256125,8.92
+CCN(C)Cc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1,CHEMBL256124,9.52
+CCNCc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1,CHEMBL256123,9.52
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL401895,9.4
+N#Cc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)c1,CHEMBL255911,8.74
+O=C(COc1cccc(F)c1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1,CHEMBL255699,8.44
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(F)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL255267,8.43
+Cc1ccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)cc1,CHEMBL404744,7.44
+Cc1ccc(-c2nc(NC(=O)COc3cccc(Cl)c3)cc(-c3nccs3)n2)o1,CHEMBL255861,7.85
+Cc1ccc(-c2nc(NC(=O)COc3cccc(C#N)c3)cc(-c3nccs3)n2)o1,CHEMBL255860,8.17
+Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)cc(-c3nccs3)n2)o1,CHEMBL255859,7.96
+Cc1ccc(-c2nc(NC(=O)COc3ccccc3)cc(-c3nccs3)n2)o1,CHEMBL255649,8.13
+CC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1,CHEMBL401321,9.22
+Cc1ccc(-c2nc(NC(=O)CCc3ccccc3F)cc(-c3nccs3)n2)o1,CHEMBL255647,7.8
+COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc1,CHEMBL428072,8.4
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(CN4CCOCC4)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL255951,9.1
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(CN(C)C)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL255739,9.7
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(N(C)C)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL402398,8.7
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(NS(C)(=O)=O)cc3)nc(-c3ccc(C)o3)n2)n1,CHEMBL257417,8.3
+COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc1C,CHEMBL401865,8.52
+COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc1F,CHEMBL270880,8.52
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(F)c(F)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL255569,8.3
+Cc1cc(C)n(-c2cc(NC(=O)Cc3cc(F)cc(F)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL271055,8.3
+COc1cc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc(OC)c1,CHEMBL257670,8.7
+COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc1OC,CHEMBL404193,8.7
+Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc(-c3ccccn3)n2)n1,CHEMBL270654,9.0
+Cc1cc(C)cc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)c1,CHEMBL429420,8.52
+CCOc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)cc1OC,CHEMBL270655,9.0
+COc1cc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)cc(OC)c1,CHEMBL403525,9.0
+COc1ccc(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)cc1,CHEMBL256382,9.0
+COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)cc1,CHEMBL402071,9.0
+COc1ccc(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)cc1,CHEMBL409700,8.22
+COc1ccc(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccc(C)o3)n2)cc1,CHEMBL272924,8.0
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3nccs3)n2)n1,CHEMBL271202,8.05
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1,CHEMBL409711,7.59
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1,CHEMBL409934,7.27
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1,CHEMBL271377,7.77
+Cc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3ocnc3C)n2)n1,CHEMBL272889,6.72
+Cc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3cnco3)n2)n1,CHEMBL407711,6.0
+Cc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)n1,CHEMBL270761,7.57
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1,CHEMBL270715,6.88
+CN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1,CHEMBL270136,7.62
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1,CHEMBL272669,7.29
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270467,7.92
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3nccc3C)n2)o1,CHEMBL272825,7.85
+Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)o1,CHEMBL409112,6.87
+Cc1cc(C)n(-c2cc(NC(=O)CCN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270314,8.62
+Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1,CHEMBL410234,8.68
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272637,8.68
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429761,7.96
+CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL429575,8.36
+CCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL409229,8.6
+CCN[C@@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL259038,8.42
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409230,7.07
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270355,8.4
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL271606,8.43
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL406397,8.07
+Cc1cc(C)n(-c2cc(NC(=O)CC3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272679,8.27
+COC1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL271786,7.82
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL406921,8.22
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL261176,8.24
+CC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL261177,8.44
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN(C)C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409459,8.54
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409460,8.82
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429428,8.0
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409419,8.0
+CCN1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL409420,7.96
+CN1C(=O)C2Nc3cccnc3C2N(C)C1=O,CHEMBL405696,6.05
+CN1C(=O)C2C(c3ccncc3N2C)N(C)C1=O,CHEMBL270300,5.38
+Oc1c(Br)cc2[nH]c3cnccc3c2c1Br,CHEMBL272185,5.31
+CN1C(=O)C2C(c3ncccc3N2C)N(C)C1=O,CHEMBL407351,5.16
+CN1C(=O)C2Nc3cnccc3C2N(C)C1=O,CHEMBL408895,5.0
+CCCOc1cc(NC(C)=O)nc(SC)n1,CHEMBL272174,5.95
+CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1,CHEMBL271106,5.38
+CCCOc1cc(NC(=O)CC)nc(SCCC)n1,CHEMBL271753,7.15
+CCCOc1cc(NC(=O)CC)nc(SC)n1,CHEMBL406727,6.4
+Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL261345,7.95
+O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1,CHEMBL263370,6.4
+O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL263372,7.2
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411319,6.8
+CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411482,6.7
+c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1,CHEMBL259430,6.24
+COc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL406807,6.4
+OCCN(CCO)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262089,6.96
+CCN(CC)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262353,6.4
+CN(C)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262352,6.51
+COCCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258848,6.43
+COCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258849,5.51
+CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL259178,7.32
+OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL405868,7.2
+c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL430227,7.29
+c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1,CHEMBL410264,6.31
+c1ccc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL261167,6.52
+c1ccc(Nc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL261346,7.19
+Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1,CHEMBL260692,6.41
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O,CHEMBL407204,5.0
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259733,6.49
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1,CHEMBL261068,6.57
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL410297,6.45
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL262333,6.45
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL262332,6.97
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL412063,6.88
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O,CHEMBL440418,6.74
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL411075,6.94
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL261056,6.4
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O,CHEMBL260693,6.81
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260051,6.94
+CN1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1,CHEMBL427602,6.1
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2Cl)CC1,CHEMBL412275,6.13
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O,CHEMBL260495,6.15
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1,CHEMBL259912,5.84
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259913,5.81
+COc1ccccc1N1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1,CHEMBL258778,5.63
+COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL428605,5.15
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL411720,6.76
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL409725,6.21
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2)CC1,CHEMBL409726,6.45
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ncccn5)CC4)cc3)cc2n(C)c1=O,CHEMBL263895,6.38
+COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1,CHEMBL259529,6.77
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL258568,6.49
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21,CHEMBL412112,6.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260434,5.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260433,6.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL407179,6.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)Oc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL261792,6.81
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL402474,6.09
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(CCC)c1=O,CHEMBL258979,7.13
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259870,7.42
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259871,6.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL409514,6.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259057,6.79
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260221,6.76
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL411275,6.65
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL259056,6.15
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CC)c1=O,CHEMBL409481,6.16
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc21,CHEMBL259580,6.33
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc21,CHEMBL410934,5.96
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259581,6.5
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCN(c2ccccc2)CC1,CHEMBL408048,7.31
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc21,CHEMBL409443,6.32
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21,CHEMBL407202,6.2
+COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCOC)c1=O,CHEMBL261212,6.4
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc21,CHEMBL258948,6.19
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL428604,6.25
+COc1ccc(C2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3OC)CC2)cc1,CHEMBL260179,6.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259760,5.98
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260180,6.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL258809,5.94
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259869,6.1
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL258810,6.52
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5OC)CC4)cc3)cc21,CHEMBL259151,6.39
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21,CHEMBL294223,5.45
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259360,6.49
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21,CHEMBL259857,5.99
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccc(OC)cc5)CC4)cc3)cc21,CHEMBL429512,6.4
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCc2ccccc2C1,CHEMBL259155,5.17
+COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL410066,4.92
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCc2ccccc2C1,CHEMBL259104,6.62
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O,CHEMBL259105,6.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O,CHEMBL412293,6.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O,CHEMBL258978,7.03
+Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL261185,6.39
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1,CHEMBL261667,6.8
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1,CHEMBL408911,6.52
+N#Cc1c(-c2ccccc2)nc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1,CHEMBL430230,7.48
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CC2)nc1-c1ccccc1,CHEMBL261085,7.34
+CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL440416,7.45
+CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL258989,7.26
+CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,CHEMBL259075,7.32
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccccc1,CHEMBL259704,6.8
+CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)n1,CHEMBL259933,7.67
+N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)OCO2,CHEMBL259319,7.57
+N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2c(c1)OCO2,CHEMBL259607,8.28
+N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1,CHEMBL259736,7.64
+Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL406714,6.42
+N#Cc1c(NC(=O)C2CC2)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL405614,7.3
+CCCC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N,CHEMBL259532,7.16
+N#Cc1c(NC(=O)C2CCCC2)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL260890,6.55
+N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL260615,7.72
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CC1,CHEMBL409125,7.16
+CCC(CC)C(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL261198,6.24
+CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL409126,6.65
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL259392,6.47
+Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL258834,6.25
+Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL406788,6.77
+N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2,CHEMBL258924,7.35
+NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410104,5.69
+O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1,CHEMBL261546,5.94
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL408266,7.14
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL261554,6.11
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL407969,5.63
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O,CHEMBL428086,5.42
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc[n+]([O-])c4)c3)nc2n(CC)c1=O,CHEMBL410529,5.71
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL427736,5.64
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL259565,5.27
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O,CHEMBL259772,5.65
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O,CHEMBL260878,6.17
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O,CHEMBL261526,6.51
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccn4)c3)nc2n(CC)c1=O,CHEMBL261525,6.39
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL258499,5.96
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL261819,5.41
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL261817,5.91
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL411452,6.57
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL408936,6.74
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL430050,6.63
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL265213,5.6
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL265212,6.58
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O,CHEMBL405901,6.3
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL412747,6.51
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL259300,7.14
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL259524,6.83
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259129,6.2
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL259130,6.52
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL409852,6.39
+CC(C)Cn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O,CHEMBL406775,5.86
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL258507,6.32
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL427911,6.66
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL260763,6.61
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260976,6.86
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL260975,6.35
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL258686,6.9
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259342,6.63
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260490,6.64
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411329,7.21
+O=C(c1cccs1)c1nc(NCCCO)nc2ccsc12,CHEMBL405235,8.09
+O=C(c1cccs1)c1nc(NCCO)nc2ccsc12,CHEMBL405234,8.37
+O=C(c1cccs1)c1nc(NCc2ccccc2)nc2ccsc12,CHEMBL264433,7.6
+CN(C)c1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL264436,7.31
+CCNc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL404985,7.6
+NNc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL264435,7.22
+Nc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL405026,7.64
+COc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL260547,7.1
+CCc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL407326,7.8
+Cc1nc(C(=O)c2cccs2)c2sccc2n1,CHEMBL259283,7.54
+O=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL260758,6.47
+Cc1ccc(C(=O)c2nc(C(F)(F)F)nc3ccsc23)o1,CHEMBL408703,7.66
+O=C(c1ccoc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL409547,7.52
+O=C(c1ccco1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL410498,7.48
+O=C(c1ccsc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL258589,7.25
+O=C(c1cccs1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL406932,7.96
+O=C(c1ccc[nH]1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL411922,6.93
+O=C(c1ccncc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL405027,5.86
+O=C(c1cccnc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL264699,6.36
+O=C(c1ccccn1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL264698,5.24
+O=C(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL405028,7.04
+OC(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12,CHEMBL265465,5.51
+OC(c1ccccc1)c1nc(C(F)(F)F)nc2ccccc12,CHEMBL265464,5.19
+OC(c1ccccc1)c1cc(C(F)(F)F)nc2ccccc12,CHEMBL408869,5.02
+O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411685,5.6
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1,CHEMBL411686,6.91
+O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1,CHEMBL172,5.18
+Clc1nc(-c2cccs2)c2sccc2n1,CHEMBL253753,6.41
+OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL406048,8.44
+OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL260718,8.55
+OCCNc1nc(-c2nccs2)c2sccc2n1,CHEMBL407638,7.74
+CC(C)(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL406049,8.51
+c1csc(-c2nc(C3CC3)nc3ccsc23)n1,CHEMBL260719,8.48
+CC(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL407307,8.85
+Clc1nc(-c2nccs2)c2sccc2n1,CHEMBL260773,7.7
+CN(C)c1nc(-c2cnccn2)c2sccc2n1,CHEMBL406483,7.09
+Cc1ccc(-c2nc(N(C)C)nc3ccsc23)nc1,CHEMBL259952,7.72
+CN(C)c1nc(-c2ccccn2)c2sccc2n1,CHEMBL259953,7.59
+CN(C)c1nc(-c2cn[nH]c2)c2sccc2n1,CHEMBL406745,5.51
+CN(C)c1nc(-c2nccn2C)c2sccc2n1,CHEMBL406314,7.85
+CN(C)c1nc(-c2ncc[nH]2)c2sccc2n1,CHEMBL408146,6.52
+Cc1nc(-c2nc(N(C)C)nc3ccsc23)sc1C,CHEMBL259442,8.18
+Cc1cnc(-c2nc(N(C)C)nc3ccsc23)s1,CHEMBL407064,8.24
+Cc1csc(-c2nc(N(C)C)nc3ccsc23)n1,CHEMBL406315,8.89
+Nc1nc(-c2nccs2)c2sccc2n1,CHEMBL259111,7.46
+CN(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL402464,8.64
+CN(C)c1nc(-c2ccoc2)c2sccc2n1,CHEMBL258901,6.13
+OCCNc1nc(-c2ccco2)c2sccc2n1,CHEMBL258900,6.69
+CN(C)c1nc(-c2ccco2)c2sccc2n1,CHEMBL405567,7.22
+CCNc1nc(-c2ccco2)c2sccc2n1,CHEMBL260667,7.24
+CNc1nc(-c2ccco2)c2sccc2n1,CHEMBL259445,7.4
+Nc1nc(-c2ccco2)c2sccc2n1,CHEMBL406298,7.85
+CN(C)c1nc(-c2cc3ccccc3s2)c2sccc2n1,CHEMBL261754,5.88
+CCc1nc(-c2cccc(C)n2)c2sccc2n1,CHEMBL408624,7.92
+CCc1nc(-c2ccccn2)c2sccc2n1,CHEMBL259337,7.89
+CCc1nc(-n2nccn2)c2sccc2n1,CHEMBL407652,6.11
+CCc1nc(-c2ncc[nH]2)c2sccc2n1,CHEMBL403704,6.85
+CCc1nc(-c2nc(C)cs2)c2sccc2n1,CHEMBL259323,8.68
+CCc1nc(-c2nccs2)c2sccc2n1,CHEMBL407650,8.8
+CCc1nc(-c2ccoc2)c2sccc2n1,CHEMBL259338,6.17
+CCc1nc(-c2ccco2)c2sccc2n1,CHEMBL265695,7.52
+OCCNc1nc(-c2cccs2)c2sccc2n1,CHEMBL405479,6.76
+CN(C)c1nc(-c2cccs2)c2sccc2n1,CHEMBL265696,7.26
+CCNc1nc(-c2cccs2)c2sccc2n1,CHEMBL407327,6.81
+COc1nc(-c2cccs2)c2sccc2n1,CHEMBL265937,6.35
+CCc1nc(-c2cccs2)c2sccc2n1,CHEMBL402817,7.16
+Cc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL258836,6.99
+CN(C)c1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL409152,7.64
+CSc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL411473,7.89
+COc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL410033,8.1
+Nc1nc(-c2cncs2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL258960,7.25
+Nc1nc(-c2ccccc2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL259164,7.77
+Nc1nc(-c2cccs2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL264431,7.89
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1,CHEMBL411034,9.0
+Cc1ccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL264432,9.0
+Cc1cccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL259049,9.0
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1,CHEMBL429144,9.0
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1,CHEMBL259832,8.735
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1,CHEMBL409915,9.0
+C[C@@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1,CHEMBL410679,7.59
+C[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1,CHEMBL409682,8.7
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1,CHEMBL260989,8.22
+Nc1nc(-c2ccco2)c2ncn(C(=O)Nc3ccccc3)c2n1,CHEMBL409879,6.69
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL261203,8.972999999999999
+CS(=O)(=O)c1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL260008,6.11
+Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3F)c2n1,CHEMBL260209,8.3
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL410463,5.39
+Nc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL260788,7.64
+Nc1nc(-c2ccco2)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL410445,6.43
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL260790,7.07
+COC(=O)c1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL260721,7.35
+Nc1nc(-c2ccco2)c2ncn(Cc3cccc(Cl)c3)c2n1,CHEMBL261349,8.1
+Cc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL261534,8.22
+Nc1nc(-c2ccco2)c2[nH]cnc2n1,CHEMBL404447,6.58
+Nc1nc(-c2ncc[nH]2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL255939,5.68
+Cn1ccnc1-c1nc(N)nc2c1cnn2Cc1ccccc1F,CHEMBL256151,5.79
+Nc1nc(-n2ccnn2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL402606,7.15
+Nc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL402389,7.77
+Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL267200,7.8
+Nc1nc(-c2ccccn2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL257982,7.92
+Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL258006,8.05
+CS(=O)(=O)c1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL402103,6.47
+Nc1nc(-c2ccco2)c2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1,CHEMBL256344,8.22
+Nc1nc(-c2ccco2)c2cnn(Cc3c(F)cccc3F)c2n1,CHEMBL402409,8.7
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1,CHEMBL403252,8.4
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL257984,5.88
+Nc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL258181,8.4
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3N)c2n1,CHEMBL403470,8.1
+Nc1nc(-c2ccco2)c2cnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL256153,6.92
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL256360,8.4
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL256359,7.59
+COC(=O)c1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL256361,8.4
+COc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL401973,8.7
+Nc1nc(-c2ccco2)c2cnn(Cc3cccc(Cl)c3)c2n1,CHEMBL257757,9.0
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3Cl)c2n1,CHEMBL257756,8.05
+Cc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL402172,8.52
+CN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL260338,5.72
+OCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL260337,6.87
+Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1,CHEMBL260146,9.0
+Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1,CHEMBL407049,8.4
+Nc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,CHEMBL259210,6.96
+Nc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1,CHEMBL437804,7.44
+Nc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1,CHEMBL259416,7.55
+Nc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1,CHEMBL405789,7.35
+Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1,CHEMBL259418,8.52
+Nc1nc(-c2ccco2)c2c[nH]nc2n1,CHEMBL260557,7.32
+Nc1nc(-c2ccco2)c2cc[nH]c2n1,CHEMBL406499,6.62
+Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1,CHEMBL410678,7.8
+Nc1nc2c(cnn2CCN2Cc3ccccc3C2)c2nc(-c3ccco3)nn12,CHEMBL471923,7.83
+Nc1nc2c(cnn2CCN2CCc3ncc(-c4ccccc4)cc3C2)c2nc(-c3ccco3)nn12,CHEMBL469879,7.75
+Nc1nc2c(cnn2CCN2CCc3nc(C(F)(F)F)ccc3C2)c2nc(-c3ccco3)nn12,CHEMBL511446,8.3
+Nc1nc2c(cnn2CCN2CCc3ncncc3C2)c2nc(-c3ccco3)nn12,CHEMBL513030,8.21
+COCCOc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL470089,8.51
+Nc1nc2c(cnn2CCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12,CHEMBL470088,8.8
+Nc1nc2c(cnn2CCN2CCc3ncc(C4CC4)cc3C2)c2nc(-c3ccco3)nn12,CHEMBL469893,8.72
+Cc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL513364,8.7
+Nc1nc2c(cnn2CCN2CCc3ncccc3C2)c2nc(-c3ccco3)nn12,CHEMBL471554,8.32
+COCCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL471553,8.7
+COc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL472114,8.72
+Nc1nc2c(cnn2CCN2CCc3ccc(Cl)cc3CC2)c2nc(-c3ccco3)nn12,CHEMBL512892,8.48
+Nc1nc2c(cnn2CCN2CCc3ccc(Br)cc3CC2)c2nc(-c3ccco3)nn12,CHEMBL472112,8.96
+Nc1nc2c(cnn2CCN2CCc3ccc([N+](=O)[O-])cc3CC2)c2nc(-c3ccco3)nn12,CHEMBL472111,9.15
+Nc1nc2c(cnn2CCN2CCc3ccccc3CC2)c2nc(-c3ccco3)nn12,CHEMBL472110,8.7
+COCCOc1ccc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL512891,8.29
+COc1ccc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL469674,8.49
+COc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2,CHEMBL469673,8.6
+COCCOc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL512133,8.82
+COc1cc2c(cc1OC)C(Cc1ccccc1)N(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,CHEMBL510959,8.64
+COc1cc2c(cc1OC)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C(C)C2,CHEMBL470087,8.72
+Nc1nc2c(cnn2CCN2CCc3ccccc3C2)c2nc(-c3ccco3)nn12,CHEMBL469877,8.39
+COCCOc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2,CHEMBL469874,8.15
+COc1cccc2c1CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2,CHEMBL471924,8.22
+COc1ccc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2,CHEMBL469876,8.27
+Nc1nc2c(cnn2CCc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL482078,8.96
+Nc1nc2c(cnn2CCc2ccc3nc(N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12,CHEMBL479784,8.74
+CC(c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1)N1CCOCC1,CHEMBL516753,8.89
+Nc1nc2c(cnn2CCc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12,CHEMBL482138,8.8
+Nc1nc2c(cnn2CCc2ccc3nc(CN4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12,CHEMBL481147,8.64
+COCCOC(C)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1,CHEMBL481146,8.82
+COCCOCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1,CHEMBL480177,8.55
+CCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1,CHEMBL481956,8.57
+Cc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1,CHEMBL520782,8.62
+Nc1nc2c(cnn2CCc2ccc(-c3cccnc3)cn2)c2nc(-c3ccco3)nn12,CHEMBL482283,7.94
+Nc1nc2c(cnn2CCc2cccc(-c3cccnc3)c2)c2nc(-c3ccco3)nn12,CHEMBL519282,8.26
+Nc1nc2c(cnn2CCc2ccc(-c3cnccn3)cc2)c2nc(-c3ccco3)nn12,CHEMBL481132,9.05
+Cc1ccc(-c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)cn1,CHEMBL519111,9.22
+COc1ccc(-c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)cn1,CHEMBL481771,8.72
+Nc1nc2c(cnn2CCc2ccc(-c3cccnc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL519784,8.82
+Nc1nc2c(cnn2CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL481770,8.11
+COc1ccc(-c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)cc1,CHEMBL521438,9.3
+CC(=O)Nc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1,CHEMBL487765,7.06
+COc1ccccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL488797,8.7
+COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL486950,9.02
+COc1ccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)cc1,CHEMBL486338,7.77
+CC(=O)Nc1cc(-c2cccc(C)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486339,8.15
+CC(=O)Nc1cc(-c2cccc(C#N)c2)nc(-n2nc(C)cc2C)n1,CHEMBL506129,8.7
+CC(=O)Nc1cc(-c2cccc(CC#N)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486552,8.7
+CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1,CHEMBL504812,8.7
+CC(=O)Nc1cc(-c2cc(C)cc(C)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486351,8.1
+CC(=O)Nc1cc(-c2cc(C)ccc2C)nc(-n2nc(C)cc2C)n1,CHEMBL519554,7.72
+COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL487569,9.71
+CC(=O)Nc1cc(-c2cc(O)cc(F)c2)nc(-n2nc(C)cc2C)n1,CHEMBL519566,8.7
+CC(=O)Nc1cc(-c2cc(F)cc(F)c2)nc(-n2nc(C)cc2C)n1,CHEMBL513203,8.4
+COc1c(F)cccc1-c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL469962,8.52
+CC(=O)Nc1cc(-c2cccc(O)c2)nc(-n2nc(C)cc2C)n1,CHEMBL469963,8.7
+CC(=O)Nc1cc(-c2cccc(OCCN(C)C)c2)nc(-n2nc(C)cc2C)n1,CHEMBL469964,8.3
+CC(=O)Nc1cc(-c2cccc(OC3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL469324,8.7
+CCN1CCC(Oc2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)c2)C1,CHEMBL471853,8.52
+CC(=O)Nc1cc(-c2cccc(OC3CCN(C(C)C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL472063,8.52
+CC(=O)Nc1cc(-c2cccc(OC3CCN(C)CC3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL511159,8.22
+CC(=O)Nc1cc(-c2cccc(OC3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL472026,9.0
+CC(=O)Nc1cc(-c2cccc(O[C@@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL470146,8.4
+CC(=O)Nc1cc(-c2cccc(O[C@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL511624,8.7
+CC(=O)Nc1cc(-c2cccc(CO[C@@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL511118,7.17
+CC(=O)Nc1cc(-c2cccc(CO[C@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL470355,7.14
+CC(=O)Nc1cc(-c2cc(F)cc(OC3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL472460,9.0
+CC(=O)Nc1cc(-c2cc(F)cc(O[C@@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL469520,8.7
+CC(=O)Nc1cc(-c2cc(F)cc(O[C@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL511440,9.0
+CC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL485765,9.59
+COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1,CHEMBL487553,9.38
+COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1,CHEMBL487554,9.33
+CC(=O)Nc1cc(-c2cccc(N3CCCCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL521356,9.25
+COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F,CHEMBL486745,9.22
+CC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1,CHEMBL487572,9.21
+CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL486162,9.15
+COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1,CHEMBL485972,9.14
+CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL520229,9.08
+CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486140,8.74
+CC(=O)Nc1cc(-c2cccc(N3CCC(O)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL521223,8.72
+COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL458242,8.64
+CC(=O)Nc1cc(-c2cccc(N3CCCOCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL520036,8.64
+CC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486130,8.54
+CC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL521029,8.52
+COCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL519383,8.51
+COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1,CHEMBL486131,8.4
+COC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL519549,8.13
+CCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL485752,8.11
+CC(=O)Nc1cc(-c2cccc(N)n2)nc(-n2nc(C)cc2C)n1,CHEMBL487372,8.1
+CC(=O)Nc1cc(-c2ccnc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1,CHEMBL487371,7.92
+CC(=O)Nc1cc(-c2ccncc2)nc(-n2nc(C)cc2C)n1,CHEMBL520238,7.4
+CC(=O)Nc1cc(-c2cc(N3CCOCC3)ccn2)nc(-n2nc(C)cc2C)n1,CHEMBL485950,7.06
+CC(=O)Nc1cc(-c2cccnc2)nc(-n2nc(C)cc2C)n1,CHEMBL487766,6.92
+O=C(Nc1ccc(F)cc1)Nc1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL487497,6.78
+O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1,CHEMBL496984,5.72
+Nc1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1,CHEMBL496985,5.31
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL512290,7.46
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL469119,7.14
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O,CHEMBL513681,7.98
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(C)c1=O,CHEMBL468295,7.82
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccn4)cc3)cc2n(C)c1=O,CHEMBL468296,6.31
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccco4)cc3)cc2n(C)c1=O,CHEMBL468506,7.74
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL513135,6.88
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O,CHEMBL469136,7.36
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL511714,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL466021,7.54
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL512276,6.93
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(CCC)c1=O,CHEMBL468306,5.48
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(CCC)c1=O,CHEMBL467270,5.65
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O,CHEMBL467271,7.45
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccon4)cc3)cc2n(CCC)c1=O,CHEMBL466035,7.66
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccn[nH]4)cc3)cc2n(CCC)c1=O,CHEMBL466453,8.0
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL466652,6.35
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL452454,7.55
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL466828,7.3
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N,CHEMBL468370,7.96
+Cc1cccc(-c2cc(-c3ccccc3)nc(N)c2C#N)c1,CHEMBL478822,6.89
+N#Cc1c(-c2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)nc1N,CHEMBL469004,7.24
+COc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC,CHEMBL468831,6.8
+N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N,CHEMBL467387,6.89
+Cc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1,CHEMBL467386,6.85
+N#Cc1c(-c2ccc(O)cc2)cc(-c2ccco2)nc1N,CHEMBL467366,7.39
+N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccco2)nc1N,CHEMBL513320,7.59
+COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1OC,CHEMBL502105,7.04
+COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1,CHEMBL468556,7.39
+N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)nc1N,CHEMBL513519,6.72
+N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccco2)nc1N,CHEMBL468555,6.85
+Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1,CHEMBL444953,7.82
+N#Cc1c(-c2ccco2)cc(-c2ccco2)nc1N,CHEMBL506250,9.0
+N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1N,CHEMBL476298,7.27
+N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1N,CHEMBL476310,7.92
+N#Cc1c(-c2ccccc2)cc(-c2ccc[nH]2)nc1N,CHEMBL476309,6.19
+N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1N,CHEMBL476308,7.06
+N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1N,CHEMBL476311,8.85
+N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1N,CHEMBL455264,7.49
+N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N,CHEMBL447192,7.72
+Nc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12,CHEMBL513009,8.4
+Nc1nc(N2CCN3C[C@@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373700,9.7
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1,CHEMBL359463,8.96
+CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1,CHEMBL469026,9.3
+COc1ccccc1-c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL177782,8.37
+Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12,CHEMBL373026,9.0
+CC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2,CHEMBL360241,9.1
+COc1ccc(CCOc2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL481737,8.55
+COc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL520766,8.24
+COc1ccc(CCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL481736,8.74
+COc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL475445,8.8
+COc1ccc(CCCc2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL471974,7.94
+COc1ccc(CN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL471975,7.34
+COc1ccc(CCCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL471976,8.24
+CN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL520286,8.7
+CCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL482161,8.52
+COCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL519271,9.0
+Nc1nc(OCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL480397,8.22
+COCCOc1ccc(N2CCN(CCOc3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL480556,8.55
+Nc1nc(SCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL521242,8.85
+COCCOc1ccc(N2CCN(CCSc3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL480568,8.82
+Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL361687,8.82
+COCCOc1ccc(N2CCN(CCNc3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL480749,8.02
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL363660,9.0
+COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL480756,8.6
+CCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL473431,9.05
+CCN(CCN1CCN(c2ccc(OCCOC)cc2)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL473439,8.82
+COCCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL514939,9.3
+COCCOc1ccc(N2CCN(CCN(CCOC)c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL473440,9.15
+Nc1nc(N(CCN2CCN(c3ccc(F)cc3F)CC2)CC2CC2)cc2nc(-c3ccco3)nn12,CHEMBL470942,9.52
+COCCOc1ccc(N2CCN(CCN(CC3CC3)c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1,CHEMBL512337,9.1
+COCCOc1ccc(N2CCN(CCOc3cc4nc(-c5ccc(Cl)o5)nn4c(N)n3)CC2)cc1,CHEMBL475592,7.4
+COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ccccc5)nn4c(N)n3)CC2)cc1,CHEMBL482328,7.6
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3cccc(C#N)c3)nn2c(N)n1,CHEMBL482329,8.74
+COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5cccc(C#N)c5)nn4c(N)n3)CC2)cc1,CHEMBL480380,9.15
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3cnco3)nn2c(N)n1,CHEMBL480542,9.52
+Cc1nccnc1-c1nc2cc(N(C)CCN3CCN(c4ccc(F)cc4F)CC3)nc(N)n2n1,CHEMBL480570,9.52
+CC(=O)Nc1cc(-c2ccccc2O)nc(-n2nc(C)cc2C)n1,CHEMBL515526,8.72
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1,CHEMBL508786,8.57
+CC(=O)Nc1cc(N2CCc3ccccc3C2)nc(-n2nc(C)cc2C)n1,CHEMBL456287,8.38
+CCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1,CHEMBL469488,8.23
+COC[C@H]1C[C@H](OC)CN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL455848,8.12
+COCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL516168,8.05
+CC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1,CHEMBL515992,7.92
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1,CHEMBL456069,7.82
+COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1,CHEMBL480444,7.72
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1,CHEMBL480443,7.7
+COC[C@H]1C[C@@H](OC)CN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL455849,7.64
+CC(=O)Nc1cc(N2CCC[C@H]2CO)nc(-n2nc(C)cc2C)n1,CHEMBL515344,7.59
+CCCC1CCN(c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)C1,CHEMBL456051,7.59
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2cccs2)n1,CHEMBL456068,7.57
+CC(=O)Nc1cc(N2CCCC2C)nc(-n2nc(C)cc2C)n1,CHEMBL456073,7.55
+CC(=O)Nc1cc(N2CCC[C@@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1,CHEMBL457573,7.4
+COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1,CHEMBL481817,7.37
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1,CHEMBL521082,7.34
+COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458232,7.33
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2cccs2)n1,CHEMBL510696,7.33
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1,CHEMBL446738,7.3
+COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(-n2nc(C)cc2C)n1,CHEMBL482011,7.3
+CC(=O)Nc1cc(N2CCCCC2)nc(-n2nc(C)cc2C)n1,CHEMBL457578,7.11
+CCN(CC)c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL445755,7.04
+CC(=O)Nc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1,CHEMBL519952,6.96
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1,CHEMBL521081,6.92
+COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515190,6.69
+COC[C@H]1CCCN1c1cc(N)nc(-n2nc(C)cc2C)n1,CHEMBL482213,6.58
+COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515218,6.56
+CC(=O)Nc1cc(N2CCOCC2)nc(-n2nc(C)cc2C)n1,CHEMBL457579,6.5
+COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL515192,6.49
+CC(=O)Nc1cc(N2CCC[C@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1,CHEMBL459098,6.36
+CCOCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL456271,6.34
+CC(=O)Nc1cc(N2CCN(C)CC2)nc(-n2nc(C)cc2C)n1,CHEMBL457580,5.73
+CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCCc4ccccc4)CC3)cc12,CHEMBL485862,6.48
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O,CHEMBL450826,5.0
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519813,6.82
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483261,8.19
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482436,6.48
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,6.79
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520297,7.04
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,6.84
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484900,6.56
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486478,7.64
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486479,6.84
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL519390,7.16
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,6.51
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482648,6.63
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482855,6.48
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL483065,6.99
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,6.95
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483487,7.32
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486481,5.43
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL488541,6.57
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,7.02
+Cc1cc2c(c(C)c1O)c1ncccc1n2C,CHEMBL458947,4.36
+Cc1cc2[nH]c3cccnc3c2c(C)c1O,CHEMBL458465,4.6
+Cc1cc2c(c(C)c1O)c1ccncc1n2C,CHEMBL458409,4.09
+COC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL489175,5.32
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL491416,5.78
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL490605,5.97
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21,CHEMBL523797,5.35
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21,CHEMBL490606,5.8
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21,CHEMBL490607,5.82
+COc1ccc(OC)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL490405,5.58
+COc1ccc(O)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL522434,5.16
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc21,CHEMBL489795,5.7
+Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O,CHEMBL38528,6.32
+Cn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(C)c1=O,CHEMBL512216,5.83
+Cc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL462095,6.9
+Cc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1,CHEMBL512388,5.61
+Cn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,CHEMBL459553,6.16
+CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O,CHEMBL289413,6.19
+CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O,CHEMBL516154,7.3
+CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O,CHEMBL457442,6.2
+CCCn1c(=O)c2c(cc(-c3ccc(C)cc3)n2O)n(CCC)c1=O,CHEMBL457659,6.4
+CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)c(O)c2n(CCC)c1=O,CHEMBL455985,7.05
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)cc2n(CCC)c1=O,CHEMBL455986,6.79
+CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O,CHEMBL457880,6.62
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O,CHEMBL510409,6.78
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)cc2n(CCC)c1=O,CHEMBL457881,7.32
+CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O,CHEMBL455998,6.99
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O,CHEMBL455999,6.93
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O,CHEMBL449133,6.7
+CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O,CHEMBL457209,6.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O,CHEMBL457418,6.83
+CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL456816,6.49
+CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O,CHEMBL457014,6.84
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL507754,7.55
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,CHEMBL457015,6.33
+CCCn1c(=O)c2[nH]c(-c3ccco3)c(O)c2n(CCC)c1=O,CHEMBL454700,6.98
+CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O,CHEMBL455315,6.03
+CCCn1c(=O)c2[nH]c(-c3ccco3)c(OS(=O)(=O)O)c2n(CCC)c1=O,CHEMBL508090,6.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O,CHEMBL456125,7.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O,CHEMBL506179,7.04
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL500569,6.64
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL522856,6.38
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O,CHEMBL494086,6.36
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O,CHEMBL509055,5.9
+O=C(c1ccccc1)c1sc(NCCc2cccs2)nc1-c1ccco1,CHEMBL457102,7.92
+O=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1,CHEMBL516871,7.37
+O=C(c1ccccc1)c1sc(NCc2cccs2)nc1-c1ccco1,CHEMBL456457,7.27
+O=C(c1ccccc1)c1sc(NCCc2ccc3c(c2)OCO3)nc1-c1ccco1,CHEMBL456455,7.21
+O=C(c1ccccc1)c1sc(NCc2ccc(F)c(F)c2)nc1-c1ccco1,CHEMBL465171,7.19
+CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL461665,7.17
+O=C(c1ccccc1)c1sc(N(Cc2ccccc2)Cc2ccco2)nc1-c1ccco1,CHEMBL457546,7.06
+CC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL516948,7.05
+O=C(c1ccccc1)c1sc(NC2CCN(Cc3ccccc3F)CC2)nc1-c1ccco1,CHEMBL452203,6.98
+O=C(c1ccccc1)c1sc(NCCCc2ccccc2)nc1-c1ccco1,CHEMBL457103,6.98
+COC(C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460171,6.81
+CN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL508555,6.8
+COCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460170,6.71
+CC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL460172,6.55
+CC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1,CHEMBL460384,6.34
+CN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL456033,5.55
+CN(C)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL512025,5.17
+O=C(c1ccccc1)c1sc(N(CCc2cccs2)Cc2ccccc2)nc1-c1ccco1,CHEMBL456256,5.15
+CN(CCc1cccs1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,CHEMBL456257,5.09
+Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL471614,6.83
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CC1,CHEMBL458346,6.96
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCC1,CHEMBL514399,6.92
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccs1,CHEMBL456011,6.52
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1,CHEMBL517097,6.24
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccoc1,CHEMBL459772,6.79
+Nc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL469760,6.53
+COc1cccc(-n2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL475146,7.62
+COc1ccccc1Cn1c(=O)n(-c2ccccc2OC)c2nc(NC3CC3)ncc21,CHEMBL516235,5.81
+COc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21,CHEMBL475147,6.39
+COc1cc(OC)cc(-n2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL515877,7.12
+COc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c2nc(NC3CC3)ncc21,CHEMBL474747,7.05
+COc1ccccc1Cn1c(=O)n(-c2cccc(C)c2)c2nc(NC3CC3)ncc21,CHEMBL472951,6.5
+COc1ccccc1Cn1c(=O)n(-c2cccc(OC(F)(F)F)c2)c2nc(NC3CC3)ncc21,CHEMBL515088,6.69
+COc1ccccc1Cn1c(=O)n(-c2cccc(C#N)c2)c2nc(NC3CC3)ncc21,CHEMBL472952,5.59
+COc1cccc(Cn2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL523465,5.04
+COc1cccc(-n2c(=O)n(Cc3ccccc3)c3cnc(NC4CC4)nc32)c1,CHEMBL490723,7.27
+COc1cccc(-n2c(=O)n(Cc3ccccc3F)c3cnc(NC4CC4)nc32)c1,CHEMBL521742,7.48
+COc1cccc(-n2c(=O)n(Cc3ccccc3Cl)c3cnc(NC4CC4)nc32)c1,CHEMBL489120,7.07
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC4CC4)nc32)c1,CHEMBL489126,8.4
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL489321,8.22
+COc1cccc(-n2c(=O)n(C(C)c3ccccc3)c3cnc(NC4CC4)nc32)c1,CHEMBL523436,6.44
+COc1cccc(-n2c(=O)n(C)c3cnc(NC4CC4)nc32)c1,CHEMBL489322,5.58
+COc1cccc(-n2c(=O)n(-c3ccccc3OC)c3cnc(NC4CC4)nc32)c1,CHEMBL522628,5.29
+CNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491317,7.64
+CCNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491318,7.51
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC(C)C)nc32)c1,CHEMBL491321,7.22
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccccc4)nc32)c1,CHEMBL522462,7.14
+COCCNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F,CHEMBL491310,6.97
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC4CCCC4)nc32)c1,CHEMBL491311,6.67
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCC4CC4)nc32)c1,CHEMBL523815,6.3
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccccn4)nc32)c1,CHEMBL464928,7.92
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4ccncc4)nc32)c1,CHEMBL465338,7.3
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCc4cccnc4)nc32)c1,CHEMBL516556,7.18
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCc4ccccn4)nc32)c1,CHEMBL465538,7.11
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(Nc4cccnc4)nc32)c1,CHEMBL491097,6.95
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCN4CCOCC4)nc32)c1,CHEMBL521785,6.59
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCN(C)C)nc32)c1,CHEMBL491285,6.58
+COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCc4cccs4)nc32)c1,CHEMBL522268,8.05
+COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN(C)C,CHEMBL472684,6.22
+CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC,CHEMBL516188,5.96
+COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN1CCCCC1,CHEMBL472883,6.15
+COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN1CCOCC1,CHEMBL520212,4.0
+COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCCN1CCCC1,CHEMBL486719,6.0
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OCCN(C)C,CHEMBL486720,6.4
+CCN(CC)CCOc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OC,CHEMBL519726,6.22
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OCCN1CCCCC1,CHEMBL485698,5.57
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OCCN1CCOCC1,CHEMBL520031,7.0
+CN(C)CCOc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL488151,6.4
+CCN(CC)CCOc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL488152,7.0
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCCCC4)c3)nc2n(C)c1=O,CHEMBL488366,6.1
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCOCC4)c3)nc2n(C)c1=O,CHEMBL488367,5.85
+Cn1c(=O)c2[nH]c(-c3cccc(OCCN4CCCC4)c3)nc2n(C)c1=O,CHEMBL486316,6.4
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL508203,6.8
+COc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1,CHEMBL526134,6.4
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1,CHEMBL502005,6.73
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]nc4c3)c2n1,CHEMBL442670,7.92
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]cc4c3)c2n1,CHEMBL512812,8.07
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,CHEMBL468256,8.96
+CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL511413,6.94
+CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL510134,8.8
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1,CHEMBL516770,8.8
+CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL459322,8.82
+CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL518364,9.0
+Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL447664,8.89
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1,CHEMBL517886,9.15
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1,CHEMBL516800,8.46
+NCc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460976,6.62
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460975,8.82
+Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461008,8.6
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1,CHEMBL516483,8.7
+Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1,CHEMBL506101,8.72
+Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1,CHEMBL460799,8.64
+Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1,CHEMBL461650,8.06
+Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1,CHEMBL517277,6.91
+Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1,CHEMBL449596,7.84
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1,CHEMBL462501,7.92
+CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460805,7.66
+CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460596,7.97
+NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518178,7.95
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL461656,6.08
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1,CHEMBL506511,8.4
+COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517429,8.39
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL505977,7.55
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL508451,8.43
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL517418,8.18
+N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL461007,7.14
+N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517417,8.41
+COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518497,8.74
+COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL443665,8.27
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1,CHEMBL461649,8.66
+Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461651,8.52
+Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL516611,8.52
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1,CHEMBL462488,8.64
+Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1,CHEMBL467246,8.72
+Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1,CHEMBL467245,8.66
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1,CHEMBL513661,8.7
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1,CHEMBL467244,8.64
+Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1,CHEMBL467035,8.07
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1,CHEMBL507426,8.72
+Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467867,7.51
+Nc1nc(-c2cn[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467655,6.4
+Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL511405,8.09
+Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL468701,7.39
+Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1,CHEMBL449469,8.07
+Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1,CHEMBL505787,8.66
+Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL508558,8.07
+Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL461858,6.62
+Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1,CHEMBL461857,8.68
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL517278,8.57
+Nc1nc(-c2ccco2)c2n[nH]nc2n1,CHEMBL459312,6.71
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ncccc3n12,CHEMBL473648,6.68
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12,CHEMBL473649,6.68
+O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL473650,5.65
+O=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL473839,6.68
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477444,6.08
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477445,5.67
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O,CHEMBL449575,5.87
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@@H]1O,CHEMBL514541,5.69
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL478071,4.79
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL477665,4.62
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL514701,4.5
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477666,5.29
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477667,5.66
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL489638,4.72
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL522095,5.06
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL489639,4.93
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL489640,5.9
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL490250,6.1
+Nc1ncnc2nc(Br)[nH]c12,CHEMBL65747,5.49
+Cn1cnc2c(N)ncnc21,CHEMBL65976,5.16
+Cn1c(Br)nc2c(N)ncnc21,CHEMBL510288,6.92
+CCn1cnc2c(N)ncnc21,CHEMBL304009,5.66
+CCn1cnc2ncnc(N)c21,CHEMBL451363,4.52
+CCn1c(Br)nc2c(N)ncnc21,CHEMBL468633,7.28
+CCCn1cnc2c(N)ncnc21,CHEMBL475023,5.02
+CCCn1cnc2ncnc(N)c21,CHEMBL449108,4.74
+CCCn1c(Br)nc2c(N)ncnc21,CHEMBL506450,6.52
+CC(C)n1cnc2c(N)ncnc21,CHEMBL67199,5.39
+CC(C)n1cnc2ncnc(N)c21,CHEMBL448396,4.92
+CC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL446264,7.13
+CCC(C)n1cnc2c(N)ncnc21,CHEMBL466044,4.8
+CCC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL509367,6.41
+CC(C)Cn1c(Br)nc2c(N)ncnc21,CHEMBL474207,5.22
+CCCCn1cnc2c(N)ncnc21,CHEMBL449628,5.11
+CCCCn1c(Br)nc2c(N)ncnc21,CHEMBL505089,6.14
+C=CCCn1cnc2c(N)ncnc21,CHEMBL510907,5.07
+C=CCCn1c(Br)nc2c(N)ncnc21,CHEMBL508561,5.8
+Nc1ncnc2c1ncn2C1CC1,CHEMBL469409,5.64
+C=CCn1c(Br)nc2c(N)ncnc21,CHEMBL506888,6.14
+Nc1ncnc2c1ncn2C1CCC1,CHEMBL455493,5.32
+Nc1ncnc2c1nc(Br)n2C1CCC1,CHEMBL515419,6.18
+Nc1ncnc2c1ncn2C1CCCC1,CHEMBL294590,5.74
+Nc1ncnc2c1nc(Br)n2C1CCCC1,CHEMBL449924,5.72
+Nc1ncnc2c1nc(Br)n2C1CCCCC1,CHEMBL516238,4.82
+Nc1ncnc2c1ncn2C1CCCCCC1,CHEMBL62835,4.96
+Nc1ncnc2c1ncn2CCO,CHEMBL95897,4.96
+Nc1ncnc2c1nc(Br)n2CCO,CHEMBL474058,6.21
+Nc1ncnc2c1ncn2CCCO,CHEMBL445974,5.41
+Nc1ncnc2c1nc(Br)n2CCCO,CHEMBL475455,7.07
+CC(O)Cn1cnc2c(N)ncnc21,CHEMBL504495,5.51
+CC(O)Cn1c(Br)nc2c(N)ncnc21,CHEMBL475617,5.96
+Nc1ncnc2c1ncn2C[C@H](O)CO,CHEMBL494759,5.07
+Nc1ncnc2c1nc(Br)n2CC(O)CO,CHEMBL505633,5.4
+Nc1ncnc2c1ncn2Cc1ccccc1,CHEMBL266094,5.07
+Nc1ncnc2c1nc(Br)n2Cc1ccccc1,CHEMBL151071,5.21
+Nc1ncnc2c1ncn2CCc1ccccc1,CHEMBL445696,5.02
+Nc1ncnc2c1nc(Br)n2CCc1ccccc1,CHEMBL503376,5.31
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4CCc5ccccc5C4)cc3)nc2n(CCCOC)c1=O,CHEMBL565192,6.64
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O,CHEMBL560905,6.67
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL557694,6.95
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563259,5.75
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)nc2n(CCCOC)c1=O,CHEMBL550638,6.69
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL561364,6.83
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL562427,6.38
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O,CHEMBL552304,6.12
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)nc2n(CCCOC)c1=O,CHEMBL556389,6.77
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563425,7.01
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL551904,7.25
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL560624,7.06
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)nc2n(CCCOC)c1=O,CHEMBL560623,7.02
+CCSCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O,CHEMBL556264,5.3
+CCCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O,CHEMBL561168,6.4
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O,CHEMBL561167,6.47
+CCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O,CHEMBL560967,6.68
+CCn1c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563889,6.28
+CCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCCOC)c1=O,CHEMBL564680,6.66
+CCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O,CHEMBL551761,6.31
+Nc1nc(NC(=O)c2ccccc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL557624,6.51
+Nc1nc(NC(=O)c2ccncc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL540156,6.82
+Nc1nc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL562421,7.64
+COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-],CHEMBL563034,6.77
+Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL561163,7.8
+Nc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1,CHEMBL551177,6.66
+COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-],CHEMBL564224,8.0
+Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1,CHEMBL538629,8.12
+Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1,CHEMBL557084,8.46
+Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1,CHEMBL550636,8.32
+Nc1nc(C(=O)NCc2ccc(F)cc2)cc(-c2ccco2)n1,CHEMBL561244,7.7
+Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1,CHEMBL560904,8.59
+Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL554623,8.43
+Nc1nc(C(=O)NCc2ccc(Cl)cc2)cc(-c2ccco2)n1,CHEMBL552511,7.76
+Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL551368,8.66
+Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL553449,8.59
+Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL557696,8.02
+COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL556083,8.46
+COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL549477,8.21
+COc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL561645,7.1
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1,CHEMBL549885,8.37
+Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1,CHEMBL571672,8.03
+Nc1nc(C(=O)NCc2ccncc2)cc(-c2ccco2)n1,CHEMBL564142,6.41
+Nc1nc(C(=O)NCc2ccco2)cc(-c2ccco2)n1,CHEMBL558291,7.85
+Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL551373,8.15
+Nc1nc(C(=O)NCc2cccc(CO)n2)cc(-c2ccco2)n1,CHEMBL538949,8.03
+COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL564473,8.77
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O,CHEMBL564883,5.18
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O,CHEMBL564676,5.47
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL561855,5.85
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL549352,6.0
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL549563,5.44
+CCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12,CHEMBL555047,5.83
+CCCOc1cncc2[nH]c3c(=O)n(CCC)c(=O)n(CCC)c3c12,CHEMBL559990,6.79
+CCCn1c(=O)c2[nH]c3cnccc3c2n(CCC)c1=O,CHEMBL554967,5.44
+CCCn1c(=O)c2[nH]c3cccnc3c2n(CCC)c1=O,CHEMBL550313,6.24
+Cn1c(=O)c2[nH]c3cccnc3c2n(C)c1=O,CHEMBL541185,6.05
+Cn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O,CHEMBL569844,5.0
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572602,6.59
+O=C(Cc1c(Cl)cccc1Cl)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL578649,6.73
+O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576153,7.57
+O=C(Cc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573088,7.05
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576017,6.74
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575605,7.13
+O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL575855,6.49
+O=C(Cc1ccc(F)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL574484,6.68
+Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL574490,7.34
+CC(C)CCn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL573089,7.73
+Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574483,7.27
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578005,8.43
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574263,8.27
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572386,8.24
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573327,8.56
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576185,8.73
+Cn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577162,7.41
+CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572601,8.5
+CCCCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL574489,8.38
+Cn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575604,7.12
+CCCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575386,7.93
+CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL577135,8.1
+CCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL576018,7.41
+Cn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575825,7.09
+Cn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL575204,7.11
+Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576369,7.5
+Cn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573807,7.25
+CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573779,7.8
+CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575198,7.64
+CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL578008,7.74
+CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL572653,7.13
+O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572419,7.89
+O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575197,8.06
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575205,7.38
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576567,7.8
+COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576538,7.2
+CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572654,7.15
+Cn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573594,6.81
+CCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573593,7.28
+CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574775,7.33
+Cn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL583960,7.52
+CCCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573360,7.4
+CCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572906,6.94
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573771,7.33
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL573780,7.27
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576351,8.04
+CC(C)CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577588,6.8
+Cn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574323,6.71
+Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578224,6.67
+CC(C)CCn1cc2c(nc(NC(=O)CCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1,CHEMBL367773,6.53
+CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL359531,6.54
+Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL577357,6.46
+CSc1c2c(nc(NC(=O)Cc3ccc(OCC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL573325,7.3
+Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@@H](C(=O)O)O3)c2nc(-c3ccco3)nn12,CHEMBL574701,7.23
+CCOC(=O)[C@H]1Oc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2O1,CHEMBL573554,8.26
+Nc1nc2c(cnn2CCCc2ccc3c(c2S(=O)(=O)O)OCO3)c2nc(-c3ccco3)nn12,CHEMBL577401,7.12
+CCOC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL572411,9.37
+CCOC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL576955,8.4
+COc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576583,8.05
+O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL578007,7.5
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574502,7.79
+COc1ccc(CC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576156,8.71
+Cn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573589,7.82
+CCCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL573588,8.1
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574975,8.41
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL572600,8.69
+CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574061,6.88
+COc1ccc(NC(=O)Nc2nc3nn(Cc4cccc5ccccc45)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL575404,5.49
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL574503,5.44
+COc1ccc(NC(=O)Nc2nc3nn(CCc4c(Br)cc(Br)cc4Br)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL575829,5.69
+C=Cn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577183,6.75
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573950,4.98
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL574602,4.38
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573032,5.15
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573269,4.9
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL575027,4.61
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL567226,5.64
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL583637,5.21
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL573125,5.45
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL582921,6.26
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583745,6.12
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL574612,6.01
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583744,6.56
+CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn(C5C(O)C(O)C6(C(=O)NC)CC56)c4n3)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CHEMBL574212,5.33
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL576395,5.79
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(F)nc21,CHEMBL568307,5.4
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL567412,5.34
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21,CHEMBL583862,5.34
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583746,6.05
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL606753,7.08
+CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL593217,7.05
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594271,6.98
+Cn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL604075,6.83
+CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL595658,6.62
+C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL594735,6.51
+CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594734,6.51
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL595431,6.44
+C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603209,6.42
+CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL596558,6.38
+Cn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL593216,6.37
+C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604283,6.35
+C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL594728,6.34
+COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603861,6.31
+Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL594963,6.31
+CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL596346,6.31
+CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL604896,6.28
+COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL593572,6.16
+CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL604885,6.05
+COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL606535,6.04
+CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL594255,5.98
+CSCCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL596125,5.91
+C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL607371,5.84
+Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL595657,5.74
+CSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604492,5.68
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596014,7.82
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596042,7.24
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL596460,6.79
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL606630,6.97
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594625,6.91
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603424,5.8
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL522152,6.32
+Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1,CHEMBL594363,9.0
+Cc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1,CHEMBL596308,8.7
+Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL609578,8.6
+Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1,CHEMBL594136,8.6
+Cc1cccnc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL594676,8.55
+Cc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)o1,CHEMBL608102,8.52
+Cc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL610738,8.52
+Cc1ccc(-c2cc(C(=O)NCc3ccc(C)c(C)n3)nc(N)n2)o1,CHEMBL611020,8.52
+CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL603748,8.46
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1,CHEMBL608383,8.4
+Nc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1,CHEMBL609603,8.31
+Cc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1,CHEMBL611335,8.3
+Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1,CHEMBL594455,8.26
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1,CHEMBL595132,8.22
+CCCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL594454,8.22
+COc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL594905,8.19
+Cc1ccc(-c2cc(C(=O)NCc3cscn3)nc(N)n2)o1,CHEMBL611048,8.19
+Cc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)c1,CHEMBL594000,8.12
+Cc1cc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)no1,CHEMBL595365,8.07
+COCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)n1,CHEMBL593746,8.06
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(F)c2)nc(N)n1,CHEMBL593975,8.05
+Cc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1,CHEMBL593508,8.05
+Cc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1,CHEMBL609308,8.02
+Cc1ccc(-c2nc(N)nc(C(=O)NCc3ccccn3)c2C)o1,CHEMBL596307,7.92
+Cc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL593999,7.91
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2)n1,CHEMBL595845,7.85
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2F)nc(N)n1,CHEMBL593973,7.85
+Cc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)cc1,CHEMBL594226,7.8
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2F)n1,CHEMBL611954,7.77
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2cccc(F)c2)n1,CHEMBL593986,7.74
+Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL593259,7.74
+Cc1cccnc1CNC(=O)c1nc(N)nc(-c2ccco2)n1,CHEMBL594662,7.73
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1,CHEMBL594907,7.64
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1,CHEMBL594906,7.62
+COc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1,CHEMBL594137,7.62
+Nc1nc(C(=O)NCc2ccccn2)nc(-c2ccco2)n1,CHEMBL607539,7.6
+CCc1c(C(=O)NCc2ccccn2)nc(N)nc1-c1ccc(C)o1,CHEMBL595364,7.6
+COc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL595131,7.55
+Cc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL611337,7.55
+Cc1cccnc1CNC(=O)c1cc(-c2cccc(C#N)c2)nc(N)n1,CHEMBL596075,7.54
+COc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL595363,7.52
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2Cl)n1,CHEMBL593058,7.51
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2cccc(Cl)c2)n1,CHEMBL608980,7.51
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1,CHEMBL596088,7.44
+Cc1csc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)n1,CHEMBL595174,7.33
+Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL595405,7.31
+COc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL607550,7.24
+CNc1nc(C(=O)NCc2ccccn2)cc(-c2ccc(C)o2)n1,CHEMBL607542,7.2
+Nc1nc(C(=O)NCc2cccnc2)nc(-c2ccco2)n1,CHEMBL595843,7.06
+CCc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL594677,7.04
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1,CHEMBL595146,7.01
+CCc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL595144,6.97
+CCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL593040,6.97
+Cc1cccnc1CNC(=O)c1cc(-c2ccccc2C#N)nc(N)n1,CHEMBL596074,6.91
+Cc1cccnc1CNC(=O)c1cc(N)nc(-c2ccco2)c1,CHEMBL608100,6.9
+N#Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1,CHEMBL609304,6.89
+COc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1,CHEMBL596291,6.82
+COc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)cc1,CHEMBL595863,6.81
+Cc1ccc(-c2nc(N)nc(C(=O)NCc3ncccc3C)c2C)o1,CHEMBL594197,6.81
+CCc1c(C(=O)NCc2ncccc2C)nc(N)nc1-c1ccc(C)o1,CHEMBL611955,6.74
+CCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL611964,6.6
+N#Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL608093,6.59
+Nc1nc(C(=O)NCc2ccncc2)nc(-c2ccco2)n1,CHEMBL595844,6.38
+Cc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1,CHEMBL611944,6.23
+Cc1nc(C(=O)NCc2ccccn2)cc(-c2ccc(C)o2)n1,CHEMBL595147,5.95
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(C(C)C)n2)o1,CHEMBL593749,5.76
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N(C)C)n2)o1,CHEMBL595864,5.75
+COc1cc(C(=O)NCc2ncccc2C)nc(N)n1,CHEMBL611325,5.61
+COc1cc(C(=O)NCc2ccccn2)nc(N)n1,CHEMBL610456,5.48
+CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1,CHEMBL591999,7.74
+Nc1nc(N[C@H](CO)Cc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](n2cccn2)[C@@H](O)[C@H]1O,CHEMBL603614,6.15
+Cc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)c1,CHEMBL592246,6.64
+CCc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)c1,CHEMBL599387,6.74
+Nc1nc(N[C@H](CO)Cc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](n2ncc3ccccc32)[C@@H](O)[C@H]1O,CHEMBL605778,5.27
+Nc1nc(N[C@H](CO)Cc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](n2ccccc2=O)[C@@H](O)[C@H]1O,CHEMBL590392,5.26
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cnc[nH]4)nc32)[C@H](O)[C@@H]1O,CHEMBL601514,8.28
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(C)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL591423,8.34
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(CC)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL591356,8.28
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC(CC)CC)nc(NCCc4cn(CC)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL592541,8.27
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC(CC)CC)nc(NCCc4cn(C(C)C)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL592540,8.1
+CCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(C(C)C)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL590718,7.41
+CC(C)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(C(C)C)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL590484,7.57
+CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C(C)(C)C)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL601081,6.42
+CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL589348,7.8
+CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL601515,8.1
+CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)Cc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL591286,5.78
+CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)CCc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL601516,5.26
+CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(CC(=O)O)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL601730,7.01
+CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(CC)cn5)nc43)[C@H](O)[C@@H]2O)c1,CHEMBL601731,6.84
+Cc1nnnn1[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(C(C)C)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL601732,7.42
+CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(CC)CC)nc(NCCc5cn(CC)cn5)nc43)[C@H](O)[C@@H]2O)c1,CHEMBL596904,7.47
+CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2c1ncn2[C@@H]1C[C@H](n2cc(CO)cn2)[C@@H](O)[C@H]1O,CHEMBL604591,8.27
+CCc1cn([C@H]2C[C@@H](n3cnc4c(NCC(CC)CC)nc(NCCc5cn(CC)cn5)nc43)[C@H](O)[C@@H]2O)nn1,CHEMBL599566,7.32
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589262,5.17
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCNC(C)=O)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589263,5.61
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCN)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602846,5.79
+C#CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL597730,5.36
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCNC(C)=O)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602847,5.14
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C56CC7CC(CC(C7)C5)C6)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL605399,5.48
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C(Br)C(=O)c5ccccc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602845,5.24
+CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn(C5C(O)C(O)C6(C(=O)NC)CC56)c4n3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CHEMBL589401,5.33
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5ccc(N)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602843,5.26
+C#CCCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL603870,5.15
+CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O,CHEMBL597560,6.75
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O,CHEMBL597559,6.66
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O,CHEMBL603878,6.91
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccccc2)c1=O,CHEMBL597355,5.76
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O,CHEMBL597354,6.12
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O,CHEMBL597955,5.4
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O,CHEMBL598819,5.84
+C=c1c(=C2N=C(N)N=C(Nc3cc(Cl)ccc3OC)N2)oc2ccccc12,CHEMBL604535,7.49
+N#Cc1c(N)nc2c(C(N)=O)c(Nc3ccccc3)sc2c1-c1ccccc1,CHEMBL600819,6.2
+N#Cc1c(N)nc2c(oc3ccccc32)c1-c1ccccc1,CHEMBL604536,7.22
+Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O,CHEMBL603094,6.6
+Cn1c(=O)cc2c3c(c(N)ccc31)C(=O)c1ccccc1-2,CHEMBL603095,6.19
+Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O,CHEMBL86771,6.49
+COc1ccc(N)c2c1C(=O)c1ccccc1C2=O,CHEMBL600008,6.28
+Nc1c(Sc2ccccc2)cc(Sc2ccccc2)c2c1C(=O)c1ccccc1C2=O,CHEMBL600009,5.72
+Nc1c(Oc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O,CHEMBL601856,6.0
+Nc1cccc2c1C(=O)c1ccccc1C2=O,CHEMBL88502,5.49
+Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(cc12)C(=O)CCC3,CHEMBL601413,6.52
+Nc1c(C(=O)Nc2nccs2)sc2nc3c(cc12)C(=O)CCC3,CHEMBL603914,6.0
+CCCc1ccc2c(N)c(C(=O)c3ccccc3)sc2n1,CHEMBL601414,5.89
+CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1,CHEMBL600794,5.57
+CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2cc1C,CHEMBL600992,5.04
+Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3,CHEMBL601208,4.82
+Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncccc12,CHEMBL599481,5.16
+Cc1cccc(NC2=C(N)C(=O)c3ccccc3C2=O)c1,CHEMBL598551,6.1
+NC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O,CHEMBL601723,6.25
+CN1CCc2sc3nc(C(=O)Nc4ccc(F)cc4)c(N)cc3c2C1,CHEMBL598725,5.66
+Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1,CHEMBL604728,5.55
+Cc1ccc(Nc2nc(N)nc(CSC(C)C(=O)NCc3ccccc3Cl)n2)cc1,CHEMBL598726,5.22
+COc1ccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)cc1,CHEMBL603967,4.85
+Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1,CHEMBL602069,4.77
+Cc1ccc(Nc2nc(N)nc(CSC(C)C(=O)N3CCCCCC3)n2)cc1,CHEMBL602265,4.48
+Nc1nc(CSc2nnc(N)s2)nc(Nc2ccc(F)cc2)n1,CHEMBL600404,4.89
+Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12,CHEMBL591458,5.66
+CC(=O)Oc1cccc(-c2nc(C(N)=O)c(N)o2)c1,CHEMBL599548,4.44
+Cc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1,CHEMBL600405,5.54
+COCCOC(=O)c1sc(N)c(C#N)c1C,CHEMBL600609,4.77
+CC(=O)c1snc(Nc2cc(Cl)ccc2F)c1N,CHEMBL600610,4.39
+COc1ccc(-n2ccnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1,CHEMBL606031,4.6
+N#CC1=C(NC(=O)CSc2ncc(C#N)c(N)n2)SC2CCCCC12,CHEMBL602076,5.21
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,6.4
+Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL592679,5.2
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1,CHEMBL591710,6.46
+C=CCCCCCCCCCCOCCOCCOCCOCCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL589251,7.0
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1081811,6.68
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1081812,7.52
+O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1081971,6.62
+O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1,CHEMBL1076562,7.46
+N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1,CHEMBL1079801,7.92
+O=C(Nc1ccc(C2N=NN=N2)c(-c2ccco2)n1)C1CC1,CHEMBL1079802,5.79
+O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1,CHEMBL1079803,6.83
+O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1,CHEMBL1079804,6.82
+Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1,CHEMBL1082005,7.96
+O=C(Nc1ccc(-c2ccncc2)c(-c2nccs2)n1)C1CC1,CHEMBL1082006,6.52
+O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1,CHEMBL1082171,6.09
+O=C(Nc1ccc(-c2ccncc2)c(-c2ncco2)n1)C1CC1,CHEMBL1080500,5.87
+O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1,CHEMBL1080676,6.2
+O=C(Nc1ccc(-c2ccncc2)c(-c2cocn2)n1)C1CC1,CHEMBL1080677,5.86
+O=C(Nc1ccc(-c2ccncc2)c(-n2cccn2)n1)C1CC1,CHEMBL1080679,5.84
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1082028,7.21
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1,CHEMBL1076587,7.24
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1,CHEMBL1082208,6.54
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1,CHEMBL1081038,7.41
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1081039,6.06
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1,CHEMBL1081040,5.83
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1,CHEMBL1081041,6.79
+O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1080513,6.74
+c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1,CHEMBL1080512,6.21
+O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1080497,6.75
+c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1,CHEMBL1080327,5.44
+c1coc(-c2nc3n[nH]cc3cc2-c2ccncn2)c1,CHEMBL1082002,5.78
+Nc1[nH]nc2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1082001,6.07
+Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21,CHEMBL1081841,5.67
+O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1076563,6.11
+Cn1cc2c(nc(N)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091031,6.92
+Cn1cc2c(nc(N)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1090489,6.45
+Cn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1090810,5.69
+Cn1cc2c(nc(N)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1090811,5.82
+COc1ccc(-c2nc3c4cn(C)nc4nc(N)n3n2)cc1,CHEMBL1090812,5.92
+Cn1cc2c(nc(N)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1089427,5.02
+CCn1ncc2c1nc(N)n1nc(-c3ccc(Cl)cc3)nc21,CHEMBL1093430,7.08
+CCn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1089131,6.07
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1093431,6.71
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1093432,6.9
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1089887,5.66
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(N)n3n2)cc1,CHEMBL1089903,5.85
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1089904,6.49
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12)c1ccccc1,CHEMBL1093202,6.02
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091268,6.11
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1091640,5.6
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1091641,5.08
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1090461,4.62
+CCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1093271,8.45
+CCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1093270,9.42
+CCCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1092270,9.92
+C=CCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21,CHEMBL1092271,10.8
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1,CHEMBL1090575,8.96
+Fc1ccc(-n2c(=S)sc3c2ncn2nc(-c4ccco4)nc32)cc1,CHEMBL1090576,8.69
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(Cl)cc1,CHEMBL1090577,9.82
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1cccc(Cl)c1,CHEMBL1090578,10.42
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1I,CHEMBL1093018,9.15
+S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(I)cc1,CHEMBL1093203,9.24
+Cc1cc(C)nc(NC(=N)NCCc2c[nH]c3ccc(F)cc23)n1,CHEMBL1094986,6.7
+Cc1cc(C)nc(NC(=N)NCCc2c[nH]c3ccccc23)n1,CHEMBL1097074,6.4
+Cc1cc(C)nc(NC(=N)NCCc2ccsc2)n1,CHEMBL1099100,6.4
+COc1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1,CHEMBL184517,6.05
+Cc1cccc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL1097072,5.92
+Cc1ccc2nc(Nc3nc(C)cc(C)n3)[nH]c2c1,CHEMBL1097073,5.89
+COc1ccc2c(c1)oc1c(-c3ccncc3)c(C#N)c(N)c(C#N)c12,CHEMBL1096751,5.57
+N=C(NCCc1c[nH]c2ccccc12)Nc1ncccn1,CHEMBL1098444,5.23
+CNc1ccccc1C(=O)/N=C(\N)Nc1nc(C)c2ccccc2n1,CHEMBL1094646,5.06
+COc1ccc(-c2cc(=O)nc(Nc3ccccc3)[nH]2)cc1OC,CHEMBL1098438,5.44
+COc1ccc2c(CCNC(=N)Nc3nc(C)cc(C)n3)c[nH]c2c1,CHEMBL1098443,6.22
+Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1094987,6.92
+O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1,CHEMBL1094143,6.74
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1096410,7.02
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1,CHEMBL1098075,6.64
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1cccc(Cl)c1,CHEMBL1096409,6.5
+Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(-c3ccccc3)nc2n1,CHEMBL1098109,6.05
+Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL1096754,6.14
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(CCc4ccccc4)cc23)cc1,CHEMBL1097050,5.94
+Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1097737,6.0
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1,CHEMBL1098108,5.5
+O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1,CHEMBL1096693,5.31
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL515442,5.68
+CN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088259,7.91
+CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088260,8.11
+CCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088261,7.87
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)NCCN3CCOCC3)ccc1C2=O,CHEMBL1088393,7.55
+CN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1086804,7.73
+CC(C)N1CCC(NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087183,7.77
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)N3CCNCC3)ccc1C2=O,CHEMBL1087184,7.49
+CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087185,8.09
+CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1086697,7.95
+CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087084,7.83
+CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1087085,7.49
+CC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087086,7.68
+CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088710,7.76
+CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O,CHEMBL1087998,7.43
+CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087999,8.1
+CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O,CHEMBL1088132,7.3
+CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O)C(C)C,CHEMBL1094721,7.86
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O,CHEMBL1095487,7.45
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O,CHEMBL1095488,8.19
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O,CHEMBL1095489,7.74
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O,CHEMBL1095490,7.71
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3C4CCC3CC4)ccc1C2=O,CHEMBL1094846,7.45
+CN(C)CCN(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1098457,8.33
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O,CHEMBL1098458,9.05
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccccn3)ccc1C2=O,CHEMBL1098765,9.05
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCOCC3)ccc1C2=O,CHEMBL1095172,8.36
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O,CHEMBL1095811,8.51
+CCN1CCC(Nc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1095812,7.9
+CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1095813,8.31
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCOCC3)ccc1C2=O,CHEMBL1095822,8.54
+CN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1096134,8.57
+CCN1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1094244,7.94
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCN(CC4CC4)CC3)ccc1C2=O,CHEMBL1094547,7.63
+CN1CCCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1094548,8.0
+CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C,CHEMBL1087080,7.12
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCCC3)ccc1C2=O,CHEMBL1087081,6.93
+Cc1ccc(-c2nc(C(=O)Nc3ccccn3)c3n2CCCCC3)cc1,CHEMBL1097859,5.35
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCC(=O)CC3)ccc1C2=O,CHEMBL1099028,8.23
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O,CHEMBL1088247,9.0
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,CHEMBL1099368,8.39
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,CHEMBL1088533,7.89
+CN(C)CCN(C)Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1088683,8.11
+Nc1nc(-c2ccco2)c2c(n1)-c1ccccc1C2=O,CHEMBL1095999,10.0
+Nc1nc(-c2ccc(Cl)o2)c2c(n1)-c1ccccc1C2=O,CHEMBL1097494,9.7
+CN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1,CHEMBL1097495,7.98
+Nc1nc(-c2cccs2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086846,9.22
+Nc1nc(-c2nccs2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086847,9.3
+Nc1nc(-c2ccncc2)c2c(n1)-c1ccccc1C2=O,CHEMBL1086977,8.34
+Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O,CHEMBL369573,10.0
+Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O,CHEMBL1096998,8.26
+COc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1,CHEMBL1086978,8.8
+COc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2,CHEMBL1087869,7.49
+CN(C)CCN(C)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087699,7.4
+CCN(CC)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087700,7.74
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCCC3)cccc1C2=O,CHEMBL1087701,7.84
+CN1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087702,7.95
+CC(=O)N1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1087819,8.1
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCCCC3)cccc1C2=O,CHEMBL1087820,8.07
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O,CHEMBL1087462,8.48
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O,CHEMBL1087463,8.42
+N#Cc1cccc(-c2nc(N)nc3c2C(=O)c2cccc(CN4CCOCC4)c2-3)c1,CHEMBL1087708,8.27
+Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,CHEMBL1087709,8.6
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,CHEMBL1087710,8.44
+CC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL1087711,7.95
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccco3)ccc1C2=O,CHEMBL1087714,8.28
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccccn3)ccc1C2=O,CHEMBL1088235,8.27
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O,CHEMBL1088236,8.52
+Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O,CHEMBL1088237,8.0
+CN1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,CHEMBL1088665,8.03
+CN1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1,CHEMBL1087726,7.53
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCCCC3)ccc1C2=O,CHEMBL1087727,7.89
+COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170518,6.6
+COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171898,7.41
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171897,7.66
+COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171718,8.52
+COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172269,7.46
+COc1ccc(N(C(C)=O)C(F)F)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172268,7.21
+COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1172267,7.01
+COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171524,7.54
+COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171526,7.42
+COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171525,8.3
+COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170295,5.66
+COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170526,6.8
+CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1170525,6.48
+COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170131,6.32
+CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1170130,7.82
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12,CHEMBL1170129,7.04
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12,CHEMBL1169934,7.3
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12,CHEMBL1172274,6.77
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12,CHEMBL1170137,7.34
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12,CHEMBL1172277,7.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12,CHEMBL1172276,7.57
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12,CHEMBL1172275,7.11
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12,CHEMBL1171349,7.1
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12,CHEMBL1170136,7.18
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12,CHEMBL1170135,7.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12,CHEMBL1170134,7.12
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12,CHEMBL1172442,7.59
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12,CHEMBL1170583,7.05
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc12,CHEMBL1170582,7.08
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCC4)cc3)sc12,CHEMBL1171200,7.17
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12,CHEMBL1170367,7.29
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12,CHEMBL1170519,7.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12,CHEMBL1171163,7.39
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12,CHEMBL1171164,8.52
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12,CHEMBL1171165,8.52
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O,CHEMBL1170166,5.19
+COc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL1171379,6.15
+Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL1210734,6.4
+CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222145,7.89
+CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222241,7.21
+CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222242,6.72
+Cc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)no1,CHEMBL1222246,6.15
+CC(=O)Nc1nc(-c2ccccc2)c(-c2noc(C)n2)s1,CHEMBL1222302,6.72
+Cc1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)no1,CHEMBL1222303,7.55
+Cc1nc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)no1,CHEMBL1222304,7.48
+Cc1nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)no1,CHEMBL1222305,7.08
+Cc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1,CHEMBL1222306,7.6
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccco1,CHEMBL1222369,6.39
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)C1CC1,CHEMBL1222370,6.92
+CC(C)CC(=O)Nc1nc(-c2ccccc2)c(-c2ncon2)s1,CHEMBL1222371,6.47
+O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccccc1,CHEMBL1222372,6.48
+O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ncon2)s1,CHEMBL1222373,6.15
+Cc1noc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL1221455,6.7
+CC(=O)Nc1nc(-c2ccccc2)c(-c2nc(C)no2)s1,CHEMBL1221456,6.96
+Cc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1,CHEMBL1221457,7.92
+Cc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1,CHEMBL1221458,7.32
+Cc1noc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221459,6.72
+Cc1noc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221504,7.24
+CCn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL1221505,7.03
+CCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1,CHEMBL1221506,7.11
+CCn1nnc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221507,6.66
+CCn1nnc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)n1,CHEMBL1221508,6.34
+CCn1nnc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2-c2ccccc2)n1,CHEMBL1222587,7.35
+N#Cc1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CHEMBL1222245,6.54
+CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258076,7.36
+Nc1nc2c(cnn2CCCc2ccc(OCCF)cc2)c2nc(-c3ccco3)nn12,CHEMBL1258077,7.91
+CCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258191,7.93
+CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258192,7.88
+CCC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258306,7.66
+C=CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258307,8.05
+C=CCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258418,7.84
+Nc1nc2c(cnn2CCCc2ccc(O/C=C/c3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL1258419,6.51
+Nc1nc2c(cnn2CCCc2ccc(OCCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL1258525,7.1
+Nc1nc2c(cnn2CCCc2ccc(OCCO)cc2)c2nc(-c3ccco3)nn12,CHEMBL1258526,7.62
+CS(=O)(=O)OCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258642,7.34
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1269898,7.34
+COCCCn1c(N)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1269899,5.17
+COCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1270005,6.68
+COCCCn1c(NC(=O)c2cccc(Cl)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1270006,6.36
+COCCCn1c(NC(=O)c2cccc(OC)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1270221,5.62
+COCCCn1c(NC(=O)c2ccccc2Cl)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1270222,5.33
+COCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21,CHEMBL1270315,5.78
+CCCCNC(=O)c1ccc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270316,7.32
+CCCCNC(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270414,7.4
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)ccc21,CHEMBL1270415,7.32
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21,CHEMBL1270508,8.02
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(N)=O)cnc21,CHEMBL1270509,5.61
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C)cnc21,CHEMBL1270609,6.91
+CCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270610,7.6
+CCN(CC)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270708,7.8
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21,CHEMBL1270709,7.89
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@H]3C)cnc21,CHEMBL1270813,8.11
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@@H]3C)cnc21,CHEMBL1270814,7.96
+Cn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21,CHEMBL1270916,6.83
+CCCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21,CHEMBL1270917,6.04
+N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2CCCO)c1,CHEMBL1271015,7.29
+N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2C2CCOCC2)c1,CHEMBL1271016,6.75
+CC(=O)NCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21,CHEMBL1271120,7.43
+COc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1,CHEMBL1271432,6.49
+COc1ccc(Cn2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)cc1,CHEMBL1271121,5.91
+N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccc(F)cc2)c1,CHEMBL1271223,5.59
+N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2cccnc2)c1,CHEMBL1271224,6.63
+N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccncc2)c1,CHEMBL1271325,7.46
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21,CHEMBL1271326,7.04
+CCOCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21,CHEMBL1271433,5.48
+CCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21,CHEMBL1271434,5.96
+CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2c1,CHEMBL1269901,8.51
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N3CCCCC3)cc21,CHEMBL1270007,7.77
+CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1,CHEMBL1270008,7.92
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N(C)C(C)C)nc21,CHEMBL1270115,8.6
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O,CHEMBL3217142,8.39
+Cc1nc2c(=O)n(Cc3ccccc3)nc(Cl)c2c2cc(-c3ccccc3)nn12,CHEMBL1276853,5.5
+Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12,CHEMBL1278102,5.13
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277845,6.3
+CCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277846,5.6
+CCCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277925,6.11
+CC(C)c1nc2c(=O)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1277926,5.28
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3cccnc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1278010,5.67
+Cc1nc2c(=S)n(Cc3ccccc3)nc(-c3ccncc3)c2c2cc(-c3ccccc3)nn12,CHEMBL1278104,6.24
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2ccncc2)nn1Cc1ccccc1,CHEMBL1277025,7.17
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2cccnc2)nn1Cc1ccccc1,CHEMBL1277116,6.09
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1277040,5.75
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1,CHEMBL1290436,5.45
+C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290210,5.61
+CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1289569,5.84
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1,CHEMBL1289676,5.72
+Cc1cc(-c2c(CCc3ccccc3)c3cc(OCC(=O)NC(C)(C)c4ccccc4)ccc3[nH]c2=O)on1,CHEMBL1290102,5.55
+CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12,CHEMBL1290212,5.97
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1,CHEMBL1290324,6.06
+CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1,CHEMBL1650152,6.74
+CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650164,6.37
+CCCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650165,6.19
+CCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1,CHEMBL1650342,6.7
+CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650347,5.72
+CCCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650348,5.34
+CC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650364,5.87
+CCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650365,6.37
+CCCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650366,5.74
+CC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650370,7.13
+CCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650371,6.99
+CCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650372,6.85
+CC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650379,5.48
+CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650380,5.59
+CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650384,8.09
+CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650385,8.19
+CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650386,8.24
+CC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650387,7.61
+CCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650388,6.94
+CCCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650389,6.82
+CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650390,7.13
+CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650391,7.08
+CCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650392,6.26
+CC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650393,7.4
+CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650394,7.2
+CCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671919,6.05
+CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671918,6.46
+CC(C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671920,6.52
+Cc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C,CHEMBL1671925,6.66
+Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671916,6.66
+Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1,CHEMBL1671930,6.7
+CCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671917,6.72
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)c(Cl)c1,CHEMBL1671931,6.74
+Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1,CHEMBL1671924,6.92
+CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671928,6.96
+CC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671921,7.14
+COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1,CHEMBL1671929,7.3
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL1671922,7.44
+Cc1cc(C(=O)Nc2nccs2)cc(Cl)c1NC(=O)CC(C)(C)C,CHEMBL1671937,7.49
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1,CHEMBL1671923,7.55
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl,CHEMBL1671934,7.66
+COc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C,CHEMBL1671932,7.77
+COc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F,CHEMBL1671938,7.92
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1F,CHEMBL1671935,8.04
+CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F,CHEMBL1671936,8.23
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1672611,7.36
+CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672612,6.14
+CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672613,7.26
+CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672614,6.71
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1,CHEMBL1672615,6.85
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1,CHEMBL1672616,6.84
+O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672618,6.98
+Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1,CHEMBL1672619,8.92
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1672620,6.51
+O=C(Nc1cnc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1,CHEMBL1672621,6.51
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1,CHEMBL1672622,6.51
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672623,7.29
+O=C(Nc1cnc(-c2ccncc2)c(-c2ncco2)n1)C1CC1,CHEMBL1672624,6.06
+O=C(Nc1cnc(-c2ccncc2)c(-c2cnco2)n1)C1CC1,CHEMBL1672625,6.2
+O=C(Nc1cnc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1672626,6.95
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ccncc2)n1)C1CC1,CHEMBL1672630,5.88
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672631,7.0
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ncco2)n1)C1CC1,CHEMBL1672632,6.39
+CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1688378,8.14
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1688379,7.14
+Nc1nc2c(cnn2CCN2CCOCC2)c2nn(CC3CC3)c(=O)n12,CHEMBL1762640,6.42
+C=Cn1ncc2c1nc(N)n1c(=O)n(CC3CC3)nc21,CHEMBL1762638,7.56
+Nc1nc2c(cnn2CCN2CCN(c3cnccn3)CC2)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762637,7.89
+Nc1nc2c(cnn2CCN2CCN(c3cnccn3)CC2)c2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762636,7.9
+COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c(=O)n(Cc5cccc(Cl)c5)nc43)CC2)c(F)c1,CHEMBL1762635,7.81
+Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762633,7.63
+CC(C)(C)OC(=O)N1CCN(CCn2ncc3c2nc(N)n2c(=O)n(Cc4cccc(Cl)c4)nc32)CC1,CHEMBL1762631,6.25
+CS(=O)(=O)N1CCN(CCn2ncc3c2nc(N)n2c(=O)n(Cc4cccc(Cl)c4)nc32)CC1,CHEMBL1762629,7.98
+CS(=O)(=O)N1CCN(CCn2ncc3c2nc(N)n2c(=O)n(Cc4ccccc4)nc32)CC1,CHEMBL1762628,8.05
+Nc1nc2c(cnn2CCN2CCC(N3CCOCC3)CC2)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762627,8.17
+Nc1nc2c(cnn2CCN2CCC(N3CCOCC3)CC2)c2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762626,7.55
+Nc1nc2c(cnn2CCN2CCC3(CC2)OCCO3)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762625,7.96
+Nc1nc2c(cnn2CCN2CCC3(CC2)OCCO3)c2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762624,8.06
+Nc1nc2c(cnn2CCN2CCOCC2)c2nn(Cc3cccc(Cl)c3)c(=O)n12,CHEMBL1762515,7.85
+Nc1nc2c(cnn2CCN2CCOCC2)c2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762514,8.05
+CN(C)CCn1ncc2c1nc(N)n1c(=O)n(Cc3cccc(Cl)c3)nc21,CHEMBL1762513,8.28
+C=Cn1ncc2c1nc(N)n1c(=O)n(Cc3cccc(Cl)c3)nc21,CHEMBL1762511,9.4
+C=Cn1ncc2c1nc(N)n1c(=O)n(Cc3ccccc3)nc21,CHEMBL1762510,9.52
+Nc1nc2c(c3nn(Cc4ccccc4)c(=O)n13)CCc1ccccc1-2,CHEMBL1762509,9.3
+Nc1nc(-c2cccnc2)cc2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762508,6.1
+COc1ccc(-c2cc3nn(Cc4ccccc4)c(=O)n3c(N)n2)cc1,CHEMBL1762507,6.2
+Nc1nc(-c2cccc(CO)c2)cc2nn(Cc3ccccc3)c(=O)n12,CHEMBL1760026,5.77
+Nc1nc(-c2ccccc2)cc2nn(Cc3ccccc3)c(=O)n12,CHEMBL1762506,9.0
+Nc1nc(-c2ccccc2)cc2nc(-c3ccco3)nn12,CHEMBL174850,8.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760889,7.51
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760898,7.28
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760888,7.09
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760884,6.96
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760891,6.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760896,6.7
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760899,6.68
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760892,6.64
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760900,6.62
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760897,6.55
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760895,6.33
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760901,6.28
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760885,6.22
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760887,6.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760894,6.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760893,5.98
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760886,5.69
+Nc1nc2c(cnn2CCCc2ccc(OCCCF)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771804,7.27
+COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771805,7.02
+Nc1nc2c(cnn2CCCc2ccc(OCC(=O)O)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771806,7.99
+NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771807,8.17
+NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771808,7.97
+CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)COc4ccc(CCCn5ncc6c5nc(N)n5nc(-c7ccco7)nc65)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL1771810,6.45
+C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771811,7.12
+Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCNC(=O)CCCCc3cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771812,6.48
+CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)nn1,CHEMBL1770169,6.66
+Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCNCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]C=c4ccc5n4[B-](F)(F)n4c(ccc4-c4ccc[nH]4)C=5)cc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL1770170,7.82
+N=c1ccc2c(-c3ccc(C(=O)NCCNC(=O)COc4ccc(CCCn5ncc6c5nc(N)n5nc(-c7ccco7)nc65)cc4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O,CHEMBL1771809,6.95
+Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc12,CHEMBL1795502,6.12
+Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1093313,7.74
+CC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800791,5.7
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800792,5.67
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OC)no3)[nH]c21,CHEMBL1800862,5.82
+Nc1nc(-c2ccccc2O)nc(N2Cc3ccc(F)cc3C2)n1,CHEMBL1800357,7.9
+CN1CCN(C(=O)c2cccc(-c3nc(N)nc(-c4ccccc4O)n3)c2)CC1,CHEMBL1800358,8.995
+Cn1cc2c(nc(N)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834573,5.16
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1834622,6.01
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1834623,5.63
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834624,4.44
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1834626,5.97
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1834627,5.23
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL1834630,5.84
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL1834694,5.08
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12)c1ccccc1,CHEMBL1834697,5.39
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1,CHEMBL1834698,4.71
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(NC(=O)c4ccccc4)n3n2)cc1,CHEMBL1834699,4.6
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1834700,6.21
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1834701,6.24
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1770311,5.51
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,6.18
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,4.9
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,5.72
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.09
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,6.04
+CC(C)Cn1cnc2c(N)nc3ccccc3c21,CHEMBL1282,5.52
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,4.68
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,4.93
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,5.01
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.15
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.3
+COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,CHEMBL9514,5.37
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],CHEMBL1726,5.64
+COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,CHEMBL42442,6.07
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.1
+Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,CHEMBL1475,6.13
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.4
+COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12,CHEMBL115769,6.24
+CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,CHEMBL192,6.775
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,5.93
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.47
+CC(C)(C)OC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927422,7.68
+Nc1nc(N2CCCC2)nc2nc(-c3ccco3)nn12,CHEMBL1927423,7.23
+Nc1nc(N2CCNCC2)nc2nc(-c3ccco3)nn12,CHEMBL1927424,6.82
+CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(-c3ccco3)nc2n1,CHEMBL1927425,5.36
+CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927426,7.39
+CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927427,7.16
+CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927428,7.41
+CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927429,7.35
+CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927430,7.75
+Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188897,7.69
+Nc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL368488,7.29
+Nc1nc(N2CCN(Cc3ccc(F)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927431,7.28
+Nc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186322,6.99
+Nc1nc(N2CCN(Cc3ccc(Br)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927432,7.56
+NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927433,7.94
+Nc1nc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927434,7.06
+CCCCC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927435,6.91
+Nc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927436,7.02
+COC(=O)CCC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927437,7.18
+Nc1nc(N2CCN(C(=O)C(Cl)Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927438,6.55
+Nc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927439,6.67
+Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927440,6.46
+Nc1nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927441,5.11
+Nc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927442,7.41
+NCCNc1nc(NCCN)n2nc(-c3ccco3)nc2n1,CHEMBL1927443,4.42
+NCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1926693,6.25
+NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927444,7.77
+NCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927445,6.57
+NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927446,7.05
+Nc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927447,7.03
+CC(C)(C)C(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927628,7.23
+CC(C)(C)CC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL1927629,7.95
+O=C(Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL1927630,6.0
+Nc1nc(=O)nc2nc(-c3ccco3)[nH]n12,CHEMBL1927631,6.7
+Nc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927632,6.8
+O=C(Nc1nc(=O)nc2nc(-c3ccco3)[nH]n12)c1ccccc1,CHEMBL1927633,5.76
+Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1927634,7.36
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935743,7.7
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935744,7.52
+Nc1nc2cn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935745,8.41
+Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935746,7.3
+COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935747,6.3
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935748,6.7
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935749,6.83
+COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935750,6.89
+Cn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935752,8.44
+CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935753,7.92
+Nc1nc2cnn(CCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935754,7.38
+Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935755,6.91
+COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935756,7.17
+CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c21,CHEMBL1935757,7.7
+COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935758,6.2
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935760,8.09
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935761,7.77
+Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935762,8.04
+Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935763,7.96
+COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935764,6.65
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935765,6.68
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935766,6.17
+Cn1ncc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3c21,CHEMBL1935768,6.92
+CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1945563,7.2
+CCCCCCc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946293,5.67
+CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946295,5.43
+CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946296,5.41
+CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946297,5.31
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946298,6.75
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL1096896,8.4
+Nc1nc(OCCc2cccc3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL260203,8.42
+Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568023,6.43
+COc1cc(OC)cc([C@@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1,CHEMBL1950555,6.77
+O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL256467,7.7
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950649,9.3
+CCNC(=O)[C@H]1C[C@@H](n2cnc3c(N[C@H](CC)Cc4sccc4Cl)ccnc32)[C@H](O)[C@@H]1O,CHEMBL1950650,7.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950653,6.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950654,7.07
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950655,7.06
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950656,6.89
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950657,6.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950658,6.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950659,7.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950660,7.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950661,7.2
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950662,7.47
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950663,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950664,6.89
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950665,6.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950666,7.4
+CCn1nnnc1[C@H]1O[C@@H](n2cnc3c(N)nc(N[C@H](CO)Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950652,8.64
+CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O,CHEMBL1955923,6.02
+CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3,CHEMBL2010872,6.3
+COc1cc(F)c(F)cc1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012693,5.12
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2012686,5.4
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CC3)nc(Cl)nc21,CHEMBL2012684,5.36
+CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012683,5.43
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012679,5.39
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012678,5.61
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCC3)nc(Cl)nc21,CHEMBL2012676,5.41
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21,CHEMBL2012675,5.57
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCC3)nc(Cl)nc21,CHEMBL2012674,5.52
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CC3)nc(Cl)nc21,CHEMBL2012673,5.43
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012672,5.5
+Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1,CHEMBL1370747,6.935
+Nc1nnc(-c2cccc(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024111,7.29
+Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024112,8.4
+Cc1cc(C)cc(-c2nnc(N)nc2-c2ccccc2)c1,CHEMBL2024113,7.67
+Nc1nnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024114,8.85
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)c1O,CHEMBL2021950,8.39
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1,CHEMBL2024115,8.11
+Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1,CHEMBL2024116,7.81
+Cc1cc(-c2nnc(N)nc2-c2cc(F)cc(F)c2)cc(C)n1,CHEMBL2024117,7.56
+Cc1cc(-c2nnc(N)nc2-c2cccc(F)c2)cc(C)n1,CHEMBL2024118,7.98
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1,CHEMBL2024119,8.46
+Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1,CHEMBL2024120,8.34
+Cc1ccsc1/C=C/c1nc(N)nc(-c2ccccc2O)n1,CHEMBL2030679,8.46
+Nc1cccc(CC2SC(=O)NC2=O)c1,CHEMBL2030680,5.15
+Cc1cc(O)c(C(C)C)cc1Nc1csc(=O)[nH]1,CHEMBL1561889,5.75
+CSc1nc2[nH]c3c(c(=O)n2n1)CN(Cc1ccccc1)CC3,CHEMBL1444408,6.15
+Cc1csc(-c2coc3cc(OCC(=O)O)cc(C)c3c2=O)n1,CHEMBL2030681,5.675
+NC(c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl,CHEMBL1873756,5.62
+COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(F)cc1,CHEMBL2030682,5.91
+O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCCCn2ccnc2)c1,CHEMBL2030683,5.33
+CC1CC(c2ccccc2)n2nc(N3C(=O)C4CC=CCC4C3=O)nc2N1,CHEMBL2030684,5.7
+COc1ccc(N2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1,CHEMBL2030685,5.53
+CC(=O)Oc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1,CHEMBL2030686,7.485
+CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(C)=O,CHEMBL2030687,8.505
+CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCC(=O)OC(C)C,CHEMBL2030688,7.82
+CC(C)c1nc(N)nc(-c2ccccc2O)n1,CHEMBL2030689,7.91
+COC1CCN(c2cccc(-c3nc(N)nc(-c4ccccc4O)n3)c2)CC1,CHEMBL2030690,8.8
+O=c1c(-c2ccco2)nnc2n(CCc3ccccc3)c3ccccc3n12,CHEMBL2030706,7.8
+O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12,CHEMBL2030704,7.3
+Nc1nc(SCCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043295,6.44
+COc1cccc2cc(C(=O)Nc3c(C#N)ncn3-c3ccc(F)cc3)c(=N)oc12,CHEMBL2042081,6.2
+COc1cccc2cc(C(=O)Nc3c(C#N)ncn3-c3ccccc3)c(=N)oc12,CHEMBL2042080,6.0
+COc1cccc2cc(C(N)=O)c(=N)oc12,CHEMBL1990267,7.1
+COCCNC(=O)c1cc2cccc(OC)c2oc1=N,CHEMBL2042077,6.3
+COc1cccc2cc(C(=O)NCCO)c(=N)oc12,CHEMBL2042076,6.0
+COc1cccc2cc(C(=O)NCCCO)c(=N)oc12,CHEMBL2042074,6.2
+COc1cccc2cc(C(=O)NCCCCCO)c(=N)oc12,CHEMBL2042075,6.0
+COc1cccc2cc(C(=O)NCCc3ccc(O)cc3)c(=N)oc12,CHEMBL2042073,6.9
+COc1cccc2cc(C(=O)NCC(O)c3ccccc3)c(=N)oc12,CHEMBL2042072,6.3
+COc1cccc2cc(C(=O)NC3CCCC3)c(=N)oc12,CHEMBL2042058,6.4
+COc1cccc2cc(C(=O)NC3CCCCC3)c(=N)oc12,CHEMBL2042059,6.4
+COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12,CHEMBL2042060,6.4
+COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12,CHEMBL2042061,6.5
+COc1cccc2cc(C(=O)NCCCOCCCCOCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12,CHEMBL2042062,6.4
+CCOC(CNC(=O)c1cc2cccc(OC)c2oc1=N)OCC,CHEMBL2042069,5.8
+COC(=O)/C(C#N)=C/c1cccc(OC)c1O,CHEMBL2042091,6.5
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(Cl)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064641,5.9
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(C(C)=O)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064649,5.28
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(Cl)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064656,5.76
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc5ccc6cccc7ccc4c5c67)nc31)[C@H](O)[C@@H]2O,CHEMBL2064661,5.51
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2070398,6.74
+CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1235128,6.68
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCO)[C@@H](O)[C@H]1O,CHEMBL1234591,6.3
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL261482,7.3
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL2070507,7.47
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL2070508,6.19
+O=C1c2ccccc2C(=O)c2cc(OCC(O)CN3CCCCC3)ccc21,CHEMBL2070833,5.3
+N#C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1,CHEMBL2070728,5.3
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1,CHEMBL1714515,5.3
+COC=C1CC(O)N=C(Nc2nc(C)c3ccccc3n2)N1,CHEMBL2070727,6.2
+CC1CCN(C(=O)c2ccc3c(=O)nc4c(-c5ccccc5)n[nH]n4c3c2)CC1,CHEMBL2070726,5.6
+COc1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)ccc1O,CHEMBL1089322,5.3
+N=C(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2o1,CHEMBL1362986,5.4
+Cc1[nH]c2nc3ccccc3n2c(=O)c1CCOC(=O)C1CCCCC1,CHEMBL2070725,5.6
+Cc1ccc2[nH]c3nc(SCC(=O)Nc4ncc(C)s4)nnc3c2c1,CHEMBL2070724,5.4
+CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2ccco2)C(C#N)C(SCC(N)=O)=N1,CHEMBL2070723,5.2
+N/C(=N\C(=O)CN1C(=O)C2CCCCC2C1=O)Nc1nc2ccccc2s1,CHEMBL2070722,5.3
+Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3cccs3)nc12,CHEMBL2070721,5.8
+N#CCSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c2nc3ccccc3n12,CHEMBL1501213,6.0
+Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1,CHEMBL2070720,5.8
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(C)cccc3s2)CC1,CHEMBL2070719,6.0
+CCOC(=O)c1[nH]cnc1/N=N/c1c(O)ccc2ccccc12,CHEMBL2070718,5.9
+Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)[nH]n1,CHEMBL2070717,6.2
+CCCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070882,5.92
+C=CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070883,5.85
+C#CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070884,6.1
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070886,6.28
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070891,5.65
+CCOC(=O)CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071038,5.96
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2069325,5.73
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071045,5.78
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071046,5.49
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071047,5.94
+Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2071048,5.55
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071050,5.73
+CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1,CHEMBL2071051,5.89
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccccc3)nc21,CHEMBL2089341,6.17
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccc(F)c(F)c3)nc21,CHEMBL2089342,5.87
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3cccc(Cl)c3)nc21,CHEMBL2089344,5.74
+Cn1c(=O)c2c(nc3n2CCN3C2CCCCC2)n(C)c1=O,CHEMBL2153632,5.79
+Cn1c(=O)c2c(nc3n2CCN3C2CCC(O)CC2)n(C)c1=O,CHEMBL2153631,5.49
+Cn1c(=O)c2c(nc3n2CCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153629,6.51
+Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O,CHEMBL2153627,6.38
+Cn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL2153626,6.07
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL2153624,5.79
+Cn1c(=O)c2c(nc3n2CCCN3[C@H]2CC[C@H](O)CC2)n(C)c1=O,CHEMBL2153621,4.72
+CC(=O)O[C@H]1CC[C@H](N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153622,4.66
+CC1CCC(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153620,6.21
+Cn1c(=O)c2c(nc3n2CCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153614,6.03
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCCC2)n(C)c1=O,CHEMBL2153613,5.94
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153612,5.82
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153603,5.62
+C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151249,6.0
+C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151250,6.0
+Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151251,5.19
+C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151252,5.4
+C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151253,6.0
+CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151254,5.06
+CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151255,5.85
+Cc1cccc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151256,5.7
+O=C(COc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151257,5.74
+Cc1ccccc1OCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151258,5.77
+Cc1cccc(C)c1OCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151259,5.77
+O=C(COc1ccc2c(c1)CCC2)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151260,5.41
+Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151261,5.49
+C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151262,5.66
+O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151263,5.47
+O=C(COCc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151264,5.3
+O=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)[nH]1,CHEMBL2151265,5.46
+Cc1ccc(-c2nnc(NC(=O)COc3ccccc3)[nH]2)cc1,CHEMBL2151118,5.44
+Cc1cccc(-c2nnc(NC(=O)C(C)Oc3ccccc3)[nH]2)c1,CHEMBL2151120,5.7
+Cc1cccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)[nH]2)c1,CHEMBL2151121,5.74
+CCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151125,5.6
+CCCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151126,5.96
+O=C(Nc1nnc(-c2ccccc2)[nH]1)C1CCCO1,CHEMBL2151127,5.23
+O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccccc1,CHEMBL2151128,6.4
+Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151129,6.52
+O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1,CHEMBL2151130,5.55
+COc1ccccc1C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151131,6.7
+COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151132,6.7
+COc1ccc(CC(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151133,6.0
+CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O,CHEMBL2165804,8.74
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(F)(F)c3cccnc3)ccc1C2=O,CHEMBL2165803,8.8
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)c3cccnc3)ccc1C2=O,CHEMBL2165802,9.3
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cnccc3Cl)ccc1C2=O,CHEMBL2165801,10.0
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3ccncc3F)ccc1C2=O,CHEMBL2165800,9.15
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cncc(F)c3)ccc1C2=O,CHEMBL2165799,8.89
+N#Cc1cncc(Cc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)c1,CHEMBL2165808,8.85
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O,CHEMBL2165807,9.52
+CC1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,CHEMBL2165805,7.88
+Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3C4CCC3CC4)ccc1C2=O,CHEMBL2165806,8.51
+COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163561,5.33
+O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163560,5.8
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,CHEMBL1487093,7.37
+N#Cc1cnc(N)nc1-c1ccccc1,CHEMBL2164819,6.8
+COCc1cc(C)nc2sc(-c3nc(N)nc(N(C)C)n3)c(N)c12,CHEMBL2164820,5.8
+O=C(Cc1ccccc1)Nc1nn2c(-c3ccco3)nnc2s1,CHEMBL2164821,5.29
+COc1nc(N)c(C#N)c(-c2ccc3c(c2)OCO3)c1C#N,CHEMBL142641,4.51
+NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL1512545,6.43
+COC(=O)c1cnn(-c2nc(NC(C3CC3)C3CC3)c3ncn([C@H]4[C@H](O)[C@H](O)[C@@H]5C[C@@H]54)c3n2)c1,CHEMBL2170798,5.39
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(I)nc21,CHEMBL2170796,5.65
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170792,5.59
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170791,5.32
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170790,5.19
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170789,5.26
+CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170788,5.44
+CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170787,5.8
+CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170786,5.31
+CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170785,5.44
+O=C1NCCC12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2181969,4.53
+Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1,CHEMBL2181977,5.09
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181970,5.63
+CCCN1C(=O)N2CCN=C2c2nc(-c3ccc(Br)cc3)[nH]c21,CHEMBL2181965,6.33
+OC[C@H]1O[C@@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181971,6.84
+O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL88147,7.6
+Cn1cc2c(nc(NC(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180906,6.05
+Cn1cc2c(nc(N3CCOCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180909,5.78
+CN1CCN(c2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2180908,5.11
+Cn1cc2c(nc(N3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180907,6.45
+Cn1cc2c(nc(N3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180927,6.88
+CCN(CCO)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180926,5.19
+Cn1cc2c(nc(N(Cc3ccccc3)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180925,5.94
+CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180924,5.97
+CN(c1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C1CCCCC1,CHEMBL2180923,5.56
+CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180922,5.13
+CCN(CC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180921,6.1
+CCCCN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180920,5.86
+CN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180919,5.99
+Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180918,6.92
+COCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180917,6.39
+CON=c1[nH]c2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180916,6.73
+Cn1cc2c(nc(NCCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180915,6.96
+Cn1cc2c(nc(NCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180914,6.91
+Cn1cc2c(nc(NCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180913,6.6
+Cn1cc2c(nc(NC(CO)CO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180912,6.22
+CCC(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180911,6.68
+CC(O)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180910,6.87
+Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181143,6.81
+Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181142,6.8
+Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL2181141,7.11
+CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181140,6.83
+COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2181139,7.03
+Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180940,7.34
+Cn1cc2c(nc(NCc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180939,6.23
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2180938,7.19
+Cn1cc2c(nc(NCc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180937,6.61
+Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180936,7.06
+Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180935,7.12
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180934,6.75
+Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180933,6.93
+C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180932,7.42
+C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180931,7.26
+Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180930,7.04
+Cn1cc2c(nc(NC3C4CC5CC(C4)CC3C5)n3nc(-c4ccco4)nc23)n1,CHEMBL2180929,6.07
+Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181164,6.09
+Cn1cc2c(nc(NC3CCCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181163,6.55
+Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181162,6.47
+Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181161,6.63
+Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181160,6.89
+Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181159,7.08
+Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181158,6.95
+Cn1cc2c(nc(NC(C)(C)C(C)(C)C)n3nc(-c4ccco4)nc23)n1,CHEMBL2181157,5.49
+CCCCC(CC)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181156,6.29
+CCCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181155,6.15
+CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181154,6.35
+CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181153,6.77
+CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181152,6.57
+CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181151,6.61
+CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181150,6.61
+CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181149,6.41
+CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181148,6.68
+CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181147,6.43
+CCOc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181146,5.21
+Cn1cc2c(nc(Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL2181144,4.52
+CC(C)(C)C(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O,CHEMBL2261736,4.8
+O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc21,CHEMBL2261733,5.15
+O[C@@H]1[C@@H](CF)O[C@@H](n2cnc3c(NC4CCOCC4)ncnc32)[C@@H]1O,CHEMBL2261343,5.3
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2163568,4.6
+Nc1nc2ccccc2c2cc(-c3ccco3)nn12,CHEMBL2312725,7.1
+Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O,CHEMBL2313297,6.59
+Cn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O,CHEMBL2313284,6.85
+Cn1c(=O)c2c(cc(/C=C/c3ccccc3O)n2C)n(C)c1=O,CHEMBL2313283,5.94
+CC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CHEMBL2313277,7.03
+Cn1c(=O)c2c(cc(/C=C/c3cccc(N)n3)n2C)n(C)c1=O,CHEMBL2313274,6.05
+Cn1c(=O)c2c(cc(/C=C/c3ccc4c(c3)OCO4)n2C)n(C)c1=O,CHEMBL2312991,6.33
+CCCOc1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CHEMBL2312988,6.51
+COc1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CHEMBL2312987,6.61
+Cn1c(=O)c2c(cc(/C=C/c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O,CHEMBL2313298,6.28
+Cn1c(=O)c2c(cc(/C=C/c3ccc(F)cc3)n2C)n(C)c1=O,CHEMBL2313296,6.37
+COc1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CHEMBL2313294,6.41
+Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL39898,6.77
+Cn1c(=O)c2c(cc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,CHEMBL2313293,6.37
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC,CHEMBL2311745,6.43
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1,CHEMBL2311741,7.31
+Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)O)cc3)CC2)c2nc(-c3ccco3)nn12,CHEMBL2323587,8.85
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2326828,6.16
+Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322918,6.96
+Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322917,6.49
+Cc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL2322916,6.61
+CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12,CHEMBL2347374,6.13
+Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377098,5.99
+Nc1nc(C2CCCO2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377227,6.17
+Nc1nc(-c2ccccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377100,6.23
+Cn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377085,6.27
+Nc1nc(-c2ccccc2)nc2sccc12,CHEMBL2377086,6.3
+CC(c1ccccc1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL2377094,6.47
+N#Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377224,6.52
+Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377223,6.58
+N#Cc1cccc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)c1,CHEMBL2377096,6.65
+Nc1nc(-c2cccnc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377101,6.67
+Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12,CHEMBL2377087,6.68
+Cc1ccc(-c2nc(N)c3cc(CCc4ccccc4)sc3n2)o1,CHEMBL2377108,6.69
+Nc1nc(-c2cccc(Cl)n2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377106,6.76
+CC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377114,6.77
+COc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377099,6.93
+Cc1ccc(-c2nc(N)c3ccsc3n2)o1,CHEMBL2377237,6.96
+Cc1csc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)n1,CHEMBL2377236,6.97
+Cc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1,CHEMBL2377234,7.0
+Nc1nc(-c2ccncc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377102,7.17
+Cc1ccc(-c2nc(N)c3cc(-c4ccccc4)sc3n2)o1,CHEMBL2377238,7.17
+C=C(c1ccccc1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL2377095,7.2
+Cc1nc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)cs1,CHEMBL2377084,7.24
+CCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377113,7.31
+Nc1nc(-c2cccc(F)c2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377097,7.38
+Cc1ccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)o1,CHEMBL2377112,7.4
+C=C(c1ccccc1)c1cc2c(N)nc(-c3nc(C)cs3)nc2s1,CHEMBL2377235,7.51
+Nc1nc(-c2ccccc2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377088,7.53
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1,CHEMBL2377105,7.59
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377225,7.6
+Nc1nc(-c2ncccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377104,7.77
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1,CHEMBL2377230,7.79
+COc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1,CHEMBL2377231,7.88
+COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1,CHEMBL2377226,7.88
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,CHEMBL2377090,7.94
+Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1,CHEMBL2377239,7.95
+COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C)o3)nc2s1,CHEMBL2377109,7.96
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1,CHEMBL2377233,8.01
+Nc1nc(-c2cnco2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377229,8.05
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)c1,CHEMBL2377093,8.14
+Cc1csc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)n1,CHEMBL2377232,8.16
+COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL2377091,8.21
+Nc1nc(-c2ncco2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377228,8.33
+Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)o1,CHEMBL2377111,8.43
+Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1,CHEMBL2377110,8.54
+Nc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc12,CHEMBL2377103,8.62
+N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)c1,CHEMBL2377092,8.85
+O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1,CHEMBL2382425,7.08
+O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL2380383,7.35
+O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1,CHEMBL2380382,7.23
+COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382439,7.04
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,6.93
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,6.94
+O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382434,7.4
+COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382431,7.2
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,7.19
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,7.09
+Nc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)nc2sc3c(c12)CCCC3,CHEMBL2391836,4.84
+O=C(Nc1nc(-c2ccccc2)c(-c2nc(=O)c3ccccc3[nH]2)s1)c1ccco1,CHEMBL2391839,5.06
+Cc1sc2nc(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391835,5.23
+Cc1sc2nc(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391847,5.31
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391842,5.7
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391843,6.25
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1)c1ccco1,CHEMBL2391832,6.26
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL2391844,6.49
+O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1,CHEMBL2391833,6.71
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL2391837,6.75
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccn3)s2)cc1,CHEMBL2391840,6.89
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1,CHEMBL2391831,7.13
+O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1,CHEMBL2391834,8.18
+CCNC(=O)[C@H]1O[C@@H](N2CNc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2391907,7.41
+CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398486,7.92
+Cn1c(-n2nccn2)nc2c(N)nc(CCCCO)nc21,CHEMBL2398485,7.28
+C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398484,8.12
+C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398483,7.72
+CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398482,8.09
+CCC(O)Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398481,7.19
+CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL2398480,7.66
+Cn1cc2c(nc(NCCCOCCOCCCOCCOCCCN=C(S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413254,5.22
+Cn1cc2c(nc(NCCCCCNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413252,5.75
+Cn1cc2c(nc(NCCCCN=C(S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413251,6.33
+Cn1cc2c(nc(NCCCNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413250,5.6
+Cn1cc2c(nc(=NNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1,CHEMBL2413249,6.03
+N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCCC(=O)Nc5nc6ccc(Cl)cc6c6nc(-c7ccco7)nn56)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O,CHEMBL2413248,7.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413115,5.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413114,5.29
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413113,5.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413111,5.17
+Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1,CHEMBL2111553,6.17
+CCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,CHEMBL2419148,7.96
+CCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,CHEMBL2419138,8.74
+CCCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,CHEMBL2419137,8.12
+N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(Br)cc1,CHEMBL2419150,10.17
+CCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419142,7.26
+CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419141,8.02
+N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Cl)cc1,CHEMBL2419140,9.85
+CCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,CHEMBL2419139,11.0
+CCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,CHEMBL2419147,10.52
+CCCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,CHEMBL2419146,10.57
+N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(F)cc1,CHEMBL2419145,8.58
+CCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,CHEMBL2419143,8.84
+Cc1ccc(NC(=O)Nc2ncnc3c2nc(-c2ccco2)n3C)cc1,CHEMBL3087714,6.97
+Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21,CHEMBL3087713,7.24
+Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1,CHEMBL3087712,7.05
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21,CHEMBL3087711,7.3
+Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21,CHEMBL3087710,7.23
+Cn1c(-c2ccco2)nc2c(NC(=O)c3ccc(-c4ccccc4)cc3)ncnc21,CHEMBL3087709,5.9
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21,CHEMBL3087708,6.96
+Nc1ncnc2c1nc(-c1ccco1)n2CCCO,CHEMBL3087707,7.82
+CCCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087706,7.74
+Nc1ncnc2c1nc(-c1ccco1)n2CCO,CHEMBL3087717,7.48
+Cn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087716,8.12
+CCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087715,8.43
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093239,5.28
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)cc2)n(C)c1=O,CHEMBL239230,5.25
+Cn1c(=O)c2c(nc3n2CCCN3CCc2cccc(Cl)c2)n(C)c1=O,CHEMBL3093238,5.87
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093237,5.42
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(C)c1=O,CHEMBL241618,5.69
+Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093235,5.34
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(CC)c1=O,CHEMBL3093227,5.6
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCN(Cc3ccccc3)CC2)n(C)c1=O,CHEMBL3093324,6.2
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL3093323,6.29
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCO2)n(C)c1=O,CHEMBL3093322,5.95
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL3093321,6.51
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL3091482,6.64
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O,CHEMBL3093320,6.5
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093318,6.29
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL3093317,6.46
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL3093316,5.92
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O,CHEMBL3093315,6.2
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O,CHEMBL3093312,6.49
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O,CHEMBL3093311,6.38
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL3093310,6.6
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O,CHEMBL3093331,6.55
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093329,5.67
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093328,5.83
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,6.01
+CCCC1=C(C(=O)OCC)C(c2ccco2)NC(=O)N1,CHEMBL3091711,6.22
+Cc1cc(C)n(-c2nc(Nc3cnccn3)cc(-n3cccn3)n2)n1,CHEMBL3100166,7.37
+Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1,CHEMBL3100164,8.04
+Cc1cc(C)n(-c2nc(NCC(F)(F)F)cc(-n3cccn3)n2)n1,CHEMBL3100163,7.28
+Cc1cc(C)n(-c2nc(Nc3nccs3)cc(N3CCc4ccccc4C3)n2)n1,CHEMBL3100162,7.18
+Cc1cc(C)n(-c2nc(Nc3cnccn3)cc(N3CCc4ccccc4C3)n2)n1,CHEMBL3100161,8.96
+Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(N3CCc4ccccc4C3)n2)n1,CHEMBL3100159,7.19
+COC[C@H]1CCCN1c1cc(Nc2nccs2)nc(-n2nc(C)cc2C)n1,CHEMBL3098228,8.02
+COC[C@H]1CCCN1c1cc(Nc2cnccn2)nc(-n2nc(C)cc2C)n1,CHEMBL3098227,7.16
+COC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2nc(C)cc2C)n1,CHEMBL3098225,7.35
+COC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(-n2nc(C)cc2C)n1,CHEMBL3098224,7.62
+Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114163,4.52
+Cn1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114145,4.59
+Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114143,4.62
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114165,4.63
+Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114144,4.69
+Cn1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114159,4.76
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccc(C(F)(F)F)cc1,CHEMBL3114157,4.79
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(C)nc3n2)cc1,CHEMBL3114146,4.92
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CCc4ccccc4)nc3n2)cc1,CHEMBL3114158,5.0
+Cn1cc2c(Cl)nc(N)nc2n1,CHEMBL3114139,5.04
+O=C(Cc1ccccc1)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114166,5.07
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114162,5.27
+CC(C)n1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114164,5.33
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114147,5.34
+CC(C)(C)Cn1cc2c(Cl)nc(N)nc2n1,CHEMBL3114141,5.39
+Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114142,5.43
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114151,5.46
+CC(C)n1cc2c(Cl)nc(N)nc2n1,CHEMBL3114140,5.48
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccccc1,CHEMBL3114155,5.51
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114149,5.57
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114152,5.66
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CC(C)(C)C)nc3n2)cc1,CHEMBL3114154,5.68
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccc(F)cc1,CHEMBL3114156,5.69
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114148,5.8
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(C(C)C)nc3n2)cc1,CHEMBL3114150,5.96
+CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114160,6.1
+Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12,CHEMBL3122212,5.21
+Cn1c(=O)c2[nH]c(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)nc2n(C)c1=O,CHEMBL3121732,8.09
+Cn1c(=O)c2[nH]c(Cc3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O,CHEMBL3121731,8.5
+CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121720,9.4
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O,CHEMBL3121723,9.51
+Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O,CHEMBL3121722,9.54
+CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121721,9.6
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121724,9.7
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O,CHEMBL3121728,9.92
+Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121726,10.14
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCCl)cc3)nc2n(C)c1=O,CHEMBL3121725,10.35
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O,CHEMBL3121727,10.38
+CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125718,5.48
+CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125717,5.5
+CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125716,5.6
+CCCCC#Cc1nc(NC2CCCC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125715,5.75
+CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125714,5.66
+CCCCC#Cc1nc(NCC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125713,5.54
+CCCCC#Cc1nc(NC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125712,5.13
+CCCCC#Cc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125711,7.0
+CCc1cc2c(=O)c(-c3cscn3)coc2cc1O,CHEMBL1367932,5.8
+CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O,CHEMBL3133077,7.3
+CCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O,CHEMBL3133076,7.5
+CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC,CHEMBL3133075,7.4
+Cc1csc(-c2c(C)oc3cc(O)ccc3c2=O)n1,CHEMBL3133074,5.1
+CCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O,CHEMBL3133073,7.7
+CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O,CHEMBL3133072,7.6
+CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O,CHEMBL1380622,7.1
+Cc1csc(-c2coc3cc(O)ccc3c2=O)n1,CHEMBL3133071,5.7
+Cc1csc(-c2coc3cccc(C)c3c2=O)n1,CHEMBL3133070,6.5
+C#CCCCOc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1,CHEMBL3133069,7.6
+Cc1csc(-c2coc3cc(OCC4CC4)cc(C)c3c2=O)n1,CHEMBL3133068,7.1
+CCOC(=O)COc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1,CHEMBL3133067,7.0
+Cc1csc(-c2coc3cc(OCCN(C)C)cc(C)c3c2=O)n1,CHEMBL3133066,5.8
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222062,8.28
+Nc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222058,8.19
+Nc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3222061,8.18
+Nc1nc(-c2ccco2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222066,8.14
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)C3)cc12,CHEMBL3222068,8.06
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3217800,8.04
+Nc1nc(-c2ccco2)nc2sc(CN3CCSCC3)cc12,CHEMBL3222065,8.04
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222085,8.0
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)C3)cc12,CHEMBL3222067,7.99
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222084,7.96
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(Br)o3)nc2s1,CHEMBL3222089,7.92
+N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1,CHEMBL3217866,7.88
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)(F)C3)cc12,CHEMBL3222086,7.8
+CC(C)c1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1,CHEMBL3222072,7.77
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222059,7.71
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC3)cc12,CHEMBL3222080,7.65
+Nc1nc(-c2ccc(Br)o2)nc2sc(CN3CCCC3)cc12,CHEMBL3222087,7.65
+CCc1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1,CHEMBL3222070,7.6
+Cc1ccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)o1,CHEMBL3222052,7.58
+Nc1nc(-c2ccco2)nc2sc(CN3CCCCCC3)cc12,CHEMBL3222054,7.56
+Nc1nc(-c2ccco2)nc2sc(CN3CCCC3)cc12,CHEMBL3222051,7.55
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1,CHEMBL3222076,7.54
+Cc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1,CHEMBL3222053,7.54
+Nc1nc(-c2ccco2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222055,7.54
+Nc1nc(-c2ccc(Br)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222088,7.52
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222075,7.51
+Cc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1,CHEMBL3222056,7.48
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCCCC3)cc12,CHEMBL3222081,7.48
+Nc1nc(-c2ccco2)nc2sc(CNC3CC3)cc12,CHEMBL3222049,7.44
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1,CHEMBL3222109,7.44
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1,CHEMBL3217864,7.41
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222077,7.37
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCCC(F)(F)C3)cc12,CHEMBL3222079,7.36
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222082,7.34
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)CC3)cc12,CHEMBL3222060,7.3
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1,CHEMBL3217865,7.29
+N#Cc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1,CHEMBL3217863,7.26
+CCN(CC)Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222048,7.26
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1,CHEMBL3222110,7.19
+CCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1,CHEMBL3222069,7.1
+N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)cc1,CHEMBL3217872,7.1
+N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)c1,CHEMBL3222108,7.08
+Cc1csc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)n1,CHEMBL3222095,7.05
+COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1,CHEMBL3217882,7.01
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(C4CC4)o3)nc2s1,CHEMBL3222074,6.96
+Nc1nc(-c2cccs2)nc2sc(CN3CCCC3)cc12,CHEMBL3222098,6.96
+Nc1nc(-c2cccc(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222104,6.96
+Nc1nc(-c2cccc(Cl)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222105,6.92
+Nc1nc(-c2cccs2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222099,6.9
+C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1,CHEMBL3222097,6.89
+CN(C)Cc1cc2c(N)nc(-c3ccco3)nc2s1,CHEMBL3222047,6.85
+C[C@H]1CN(Cc2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)C[C@@H](C)O1,CHEMBL3217868,6.82
+Nc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12,CHEMBL3222050,6.77
+N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)cc1,CHEMBL3217871,6.74
+Cc1ccc(-c2nc(N)c3cc(CN4CCc5ccccc5C4)sc3n2)o1,CHEMBL3222057,6.7
+Cc1csc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)n1,CHEMBL3222094,6.68
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(=O)CC3)cc12,CHEMBL3222064,6.64
+Nc1nc(-c2cocn2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222100,6.62
+Nc1nc(-c2ncco2)nc2sc(CN3CC=CC3)cc12,CHEMBL3222091,6.62
+Nc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222092,6.62
+Nc1nc(-c2cocn2)nc2sc(CN3CC=CCC3)cc12,CHEMBL3222101,6.62
+Nc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222093,6.6
+Nc1nc(-c2ccco2)nc2sc(CN3CCC(O)CC3)cc12,CHEMBL3222063,6.52
+COc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1,CHEMBL3217880,6.52
+Nc1nc(-c2cc3ccccc3o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222102,6.46
+Nc1nc(-c2cc(F)cc(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222106,6.46
+Nc1nc(-c2ncco2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222090,6.44
+Nc1nc(-c2ccc(F)c(F)c2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222107,6.44
+COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1,CHEMBL3217881,6.43
+N#Cc1ccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)cc1,CHEMBL3217870,6.41
+Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)(F)CC3)cc12,CHEMBL3222078,6.21
+Nc1nc(-c2ccc(C3CC3)o2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222073,6.02
+Nc1nc(-c2ccccc2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222103,6.0
+Nc1nc(-c2ccon2)nc2sc(CN3CCOCC3)cc12,CHEMBL3222096,6.0
+N#Cc1ccccc1-c1nc(N)c2cc(CN3CCC(F)CC3)sc2n1,CHEMBL3217869,5.99
+Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CC=CC3)cc12,CHEMBL3217873,5.97
+CN(C)C(=O)c1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1,CHEMBL3217879,5.65
+Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3217878,5.42
+Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)CC3)cc12,CHEMBL3222083,7.44
+O=C(NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)NC1CCN(c2ccccn2)CC1,CHEMBL3260724,8.4
+COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12,CHEMBL3260725,7.6
+COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL3260726,8.3
+COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,CHEMBL2105747,8.3
+CC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1,CHEMBL3260727,7.39
+CC1CN(c2nnc(N)nc2-c2ccccc2)CC(C)O1,CHEMBL3260728,7.8
+O=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cnc2ccc(F)cn12,CHEMBL3260729,7.92
+COC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1,CHEMBL3260730,8.52
+O=C(c1ccc2c(-c3cnc4ccc(F)cn34)noc2c1)N1CCCCCC1,CHEMBL3260731,8.4
+C#CCn1c(Br)nc2c(N)nc(C#CCCCCCC)nc21,CHEMBL3291301,9.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335523,7.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[N-][N+]#N)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335524,5.36
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335525,5.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335526,6.57
+O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342773,5.46
+O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342774,5.1
+O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342775,5.34
+O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1,CHEMBL3342771,5.01
+CCc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCC3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359411,6.18
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1,CHEMBL3359410,7.12
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2ccsc2)nn1Cc1ccccc1,CHEMBL3359404,7.16
+Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3cccs3)c2c2cc(-c3ccccc3)nn12,CHEMBL3359402,5.59
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2cccs2)nn1Cc1ccccc1,CHEMBL3359401,7.29
+Cc1ccc2ncc3nc(-c4ccccc4)nn3c2c1,CHEMBL3356373,5.62
+Nc1ncnc2cn(-c3ccccc3)nc12,CHEMBL3317555,6.39
+COc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317560,6.67
+Nc1nc(Cc2ccccc2F)nc2cn(-c3ccccc3)nc12,CHEMBL3317565,6.81
+Nc1nc(Cc2ccccc2O)nc2cn(-c3ccccc3)nc12,CHEMBL3317554,7.05
+Nc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12,CHEMBL3317568,6.28
+Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317574,7.26
+COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317575,6.82
+COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1,CHEMBL3317576,6.83
+COc1ccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3317577,6.1
+Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12,CHEMBL3317578,6.99
+Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12,CHEMBL3317579,6.84
+Nc1nc(CCCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12,CHEMBL3317580,6.14
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3311282,5.6
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311284,5.92
+CCOC(=O)c1cnc(SC)n2nc(-c3ccco3)nc12,CHEMBL3314870,5.02
+CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314871,6.94
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314872,5.27
+CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314873,7.59
+COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314874,7.19
+CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314875,7.82
+Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3313941,7.95
+CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314876,8.48
+CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314877,8.24
+CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314878,5.82
+CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314879,7.91
+O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314880,7.29
+O=C(Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12)NC1CCCCC1,CHEMBL3314881,6.11
+O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314882,7.55
+CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314883,8.32
+C=C(OCC)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314884,6.74
+CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314885,4.37
+O=C(Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12)NC1CCCCC1,CHEMBL3314886,4.61
+CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12,CHEMBL3314887,6.98
+CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314888,7.3
+CCCCCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314889,7.3
+CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314890,6.99
+CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314891,6.67
+CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314892,7.43
+CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314893,7.36
+CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314894,6.92
+CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314895,7.49
+CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314896,6.91
+CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314897,6.85
+CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314898,7.41
+CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314899,7.14
+CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314900,6.68
+CCOC(=O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314901,6.73
+CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314902,6.41
+CCOC(=O)c1cnc(NC2CCC2)n2nc(-c3ccco3)nc12,CHEMBL3314903,7.54
+CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314904,6.63
+C=C(CCC)C1=CC=C(CC2CCCCCCC2)C2C=C(C3=CC=CC3)C=C12,CHEMBL3314905,6.45
+CCOC(=O)c1cnc(N2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314906,4.99
+CCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314907,5.09
+CCOC(=O)c1cnc(NCCOC)n2nc(-c3ccco3)nc12,CHEMBL3314908,6.53
+CCOC(=O)c1cnc(N(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314909,5.19
+CCOC(=O)c1cnc(N2CCOCC2)n2nc(-c3ccco3)nc12,CHEMBL3314910,4.75
+CCOC(=O)c1cnc(NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314911,7.23
+CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314913,7.35
+CCOC(=O)c1c[nH]c(=NOC)n2nc(-c3ccco3)nc12,CHEMBL3314914,6.68
+CCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314916,5.43
+CCCCCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314917,4.57
+CC(C)Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314918,5.12
+CCCCC(CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314919,4.47
+O=C(O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314920,6.22
+O=C(O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314921,4.43
+O=C(O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314922,4.47
+O=C(O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314923,5.44
+Cc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314924,5.92
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314925,4.91
+O=C(O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314926,5.19
+O=C(O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314928,4.74
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403724,5.19
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2,CHEMBL3403728,4.55
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403729,4.74
+Cc1ccc(Nc2nc(N(C)C)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)cc1,CHEMBL3403733,4.65
+Cc1ccc(-c2nc(Nc3ccccc3)sc2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,CHEMBL3403734,5.46
+Cc1ccc(Nc2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1,CHEMBL3403738,5.25
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403739,5.02
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403741,4.58
+CC(C)(O)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401298,5.96
+CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)nc1,CHEMBL3401296,6.52
+CC(C)CCNc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401295,6.14
+CC(CCN1CCOCC1)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3402641,6.96
+CCN(CC)CCC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3402640,6.96
+CCN(CC)CCCCCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401305,6.89
+CCN(CC)CCCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401304,6.62
+CCN(CC)CCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401303,6.08
+O=C(CC1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3400161,5.18
+O=C(CC1CCCC1)Nc1ccc(C(=O)Nc2nccs2)cc1,CHEMBL3401300,7.17
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410312,5.21
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410311,5.43
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3410310,5.24
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C(C)C)cc12,CHEMBL3410309,5.64
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C(C)C)cc12,CHEMBL3410307,5.55
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410306,5.48
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12,CHEMBL3410305,4.93
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C)cc12,CHEMBL3410303,4.94
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C)cc12,CHEMBL3410302,4.79
+CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410301,5.32
+CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12,CHEMBL3410300,5.3
+CCOC(=O)c1nc(N)nc2nn(C(C)C)cc12,CHEMBL3410299,5.59
+CCOC(=O)c1nc(N)nc2nn(C)cc12,CHEMBL3410298,5.7
+NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410297,4.8
+CC(C)n1cc2c(C(N)=O)nc(N)nc2n1,CHEMBL3410295,5.04
+Cn1cc2c(C(N)=O)nc(N)nc2n1,CHEMBL3410294,5.52
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410324,5.62
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3407529,5.24
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410323,5.06
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12,CHEMBL3410322,5.14
+CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410315,5.38
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410314,5.22
+CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410313,5.12
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414936,8.09
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414938,6.11
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414939,5.47
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414940,7.03
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414941,7.21
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414942,7.19
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414943,6.79
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414944,6.26
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414945,6.06
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414946,7.11
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414947,6.65
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414948,6.97
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(I)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416782,7.04
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Br)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416781,7.54
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Cl)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416780,7.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(F)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416779,7.01
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(CCc5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416778,6.01
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(Cc5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416777,6.18
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCCN4CCN(c5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416776,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416775,7.26
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416783,7.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416784,7.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(C)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416785,7.06
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(OC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416786,7.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(OCCOC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416787,7.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(C(=O)O)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416788,7.52
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(CC(=O)O)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416789,7.08
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5cccc(Cl)c5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416790,7.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5cccc(C(=O)O)c5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416791,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccccc5F)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416792,8.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccccc5Cl)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416793,7.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccccc5C(F)(F)F)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416794,7.02
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccccc5OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416795,6.56
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(F)c(Cl)c5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416796,7.47
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Cl)c(Cl)c5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3414573,7.59
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5cc(Cl)cc(Cl)c5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416797,7.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5cccc(F)c5F)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416798,8.26
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Cl)cc5F)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416799,8.32
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(CC(=O)O)cc5Br)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416800,7.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCOC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416804,6.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416805,6.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(Cl)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416806,7.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416807,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416808,7.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416810,7.79
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)OCC)cc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416811,7.28
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccn4)C[C@H]3C)nc21,CHEMBL3596507,7.43
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21,CHEMBL3596506,8.0
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cn4)C[C@H]3C)nc21,CHEMBL3596505,7.88
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccc(F)c4)C[C@H]3C)nc21,CHEMBL3596504,8.28
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4F)C[C@H]3C)nc21,CHEMBL3596503,8.07
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cc4)C[C@H]3C)nc21,CHEMBL3596502,8.26
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21,CHEMBL3596508,7.4
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccncc4)C[C@H]3C)nc21,CHEMBL3596509,7.03
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncccn4)C[C@H]3C)nc21,CHEMBL3596510,7.58
+COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1,CHEMBL3596511,8.05
+COc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1,CHEMBL3596512,8.11
+COc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1,CHEMBL3596513,8.32
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21,CHEMBL3596514,7.61
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(C)s4)C[C@H]3C)nc21,CHEMBL3596515,7.64
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnc(C)s4)C[C@H]3C)nc21,CHEMBL3596516,8.17
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4sc(C)nc4C)C[C@H]3C)nc21,CHEMBL3596517,8.85
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4nsnc4Cl)C[C@H]3C)nc21,CHEMBL3596518,8.28
+CCn1cc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cn1,CHEMBL3596589,7.7
+COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnn(C(C)(C)C)c4)C[C@H]3C)nc21,CHEMBL3596590,8.03
+[C-]#[N+]c1ccc2ncc(C(=O)c3ccc(C(=O)N(CC)C4CCCCC4)cc3)n2c1,CHEMBL3677905,6.77
+CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1)C1CCCCC1,CHEMBL3677906,6.97
+CCN(C(=O)c1ccc(C(=O)c2cnc3ccccn23)nc1)C1CCCCC1,CHEMBL3677907,6.58
+CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)cc1Cl)C1CCCCC1,CHEMBL3677908,7.47
+Nc1cc(C(=O)N2CCCCCC2)ccc1C(=O)c1cnc2ccc(F)cn12,CHEMBL3677909,6.99
+O=C(c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1cnc2ccccn12,CHEMBL3677910,6.86
+CCN(C(=O)c1ccc(C(=O)c2cnc3ccccn23)cc1)c1ccccc1,CHEMBL3677911,6.73
+O=C(c1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cnc2ccccn12,CHEMBL3677912,6.77
+Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21,CHEMBL3677913,8.4
+Cn1nc(-c2cnc3ccc(C(F)(F)F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21,CHEMBL3677914,6.75
+Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCCC3)cc21,CHEMBL3677915,8.52
+O=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1,CHEMBL3677916,7.47
+CN1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1,CHEMBL3677917,6.54
+[C-]#[N+]c1ccc2ncc(-c3noc4cc(C(=O)N5CCOCC5)ccc34)n2c1,CHEMBL3677918,6.83
+CCN(C(=O)c1ccc2nc(-c3cnc4ccccn34)oc2c1)C1CCCCC1,CHEMBL3677919,6.59
+O=C(c1ccc2c(c1)nnn2-c1cnc2ccc(F)cn12)N1CCCCCC1,CHEMBL3677920,7.14
+O=C(c1ccc2c(-c3cnc4ccc(F)cn34)c[nH]c2c1)N1CCCCCC1,CHEMBL3677921,6.46
+Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCC3)cc2n1,CHEMBL3677922,7.08
+CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(Cl)nn23)cc1)C1CCCCC1,CHEMBL3677923,6.34
+Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br,CHEMBL3694769,7.76
+CN(C)c1nc(-n2cccn2)nc(N)c1Br,CHEMBL3694776,7.38
+Nc1nc(-n2cccn2)nc(N2CCCC2)c1Br,CHEMBL3694770,7.96
+Nc1nc(-n2cccn2)nc(NC2CCCC2)c1Br,CHEMBL3694771,8.22
+Nc1nc(-n2cccn2)nc(N2CCCCC2)c1Br,CHEMBL3694772,7.85
+Nc1nc(-n2cccn2)nc(N2CCC2)c1Br,CHEMBL3694774,7.48
+Nc1nc(-n2cccn2)nc(NC2CCC2)c1Br,CHEMBL3694775,7.68
+COC[C@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br,CHEMBL3694777,7.85
+CNc1nc(-n2cccn2)nc(N)c1Br,CHEMBL3694778,7.8
+Nc1nc(-n2cccn2)nc(NCC2CC2)c1Br,CHEMBL3694779,8.0
+CCSc1nc(-n2cccn2)nc(N)c1Br,CHEMBL3694780,8.1
+CC(C)Sc1nc(-n2cccn2)nc(N)c1Br,CHEMBL3694781,8.15
+Nc1nc(-n2cccn2)nc(OCC(F)(F)F)c1Br,CHEMBL3694782,7.85
+Nc1nc(-n2cccn2)nc(-n2cccn2)c1Cl,CHEMBL3694783,7.77
+N#Cc1c(N)nc(-n2cccn2)nc1-n1cccn1,CHEMBL3694784,8.15
+OC1CS[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(Cl)nc32)[C@H]1O,CHEMBL3703590,7.61
+COc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1SCC(O)[C@@H]1O,CHEMBL3703589,7.7
+CNc1nc(Cl)nc2c1ncn2[C@@H]1SCC(O)[C@@H]1O,CHEMBL3703591,8.43
+OC1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703597,7.37
+OC1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703584,8.78
+OC1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703583,8.13
+OC1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703596,7.89
+OC1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H]1O,CHEMBL3703585,8.05
+CCn1cnc2c(NCCc3ccccc3)ncnc21,CHEMBL567012,5.87
+CCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL576447,6.82
+CCCn1cnc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3740172,5.85
+CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3740631,7.44
+CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3741217,8.18
+CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739985,6.13
+CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739795,7.57
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3740141,7.85
+CCCn1cnc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3741942,5.04
+CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3739922,6.55
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3740992,6.95
+CCCn1cnc2c(NCc3ccccc3)ncnc21,CHEMBL3739799,4.65
+CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21,CHEMBL3741167,5.93
+CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21,CHEMBL3739903,7.1
+CCCn1cnc2c(NCCc3ccccc3)ncnc21,CHEMBL3742213,4.92
+CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3740619,6.3
+CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3741337,6.26
+CCCn1cnc2c(NCCCc3ccccc3)ncnc21,CHEMBL3739802,4.89
+CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3741012,5.99
+CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3742158,6.74
+CC(Cc1ccccc1)Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL3741393,7.07
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N(C)C)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740939,5.43
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5cccc(OC)c5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741901,7.68
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740507,7.25
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741543,8.19
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(C(F)(F)F)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3742258,7.79
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740858,7.99
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741931,8.16
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741805,7.79
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(F)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740436,7.93
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740085,7.88
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740959,8.04
+N=C1N(CCCCc2ccccc2)C[C@@H]2Cc3ccccc3CN12,CHEMBL3740969,4.46
+N=C1N(Cc2ccccc2)C[C@@H]2Cc3ccccc3CN12,CHEMBL3741290,4.19
+O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1Cc1ccccc1,CHEMBL3741465,4.36
+O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2s1,CHEMBL3745868,5.54
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc([N-][N+]#N)nc31)[C@H](O)[C@@H]2O,CHEMBL3746487,5.56
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc([N-][N+]#N)nc31)[C@H](O)[C@@H]2O,CHEMBL3747209,5.95
+CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752488,6.41
+CNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754704,6.52
+O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752342,7.02
+O=C(Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752421,5.99
+CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754760,5.67
+CNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3753604,6.71
+O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752621,8.84
+O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3753012,8.1
+CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754685,7.06
+CNc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754353,7.0
+Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752514,8.95
+Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3752431,8.45
+CC(C)Nc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3754099,7.19
+CNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3752868,7.31
+O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3754417,7.63
+O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3753079,8.27
+c1ccc(Oc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753118,6.95
+c1ccc(CNc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3752965,6.25
+Fc1ccc(CNc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3753103,6.04
+CNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3754333,6.84
+CC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3753698,6.4
+c1coc(-c2nc3nc(NC4CCCCC4)nc(NC4CCCCC4)n3n2)c1,CHEMBL3753384,6.75
+c1ccc(CNc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753690,7.82
+CNc1nc(NCc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754336,6.76
+CC(C)Nc1nc(NCc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754718,6.4
+c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3754573,7.69
+CNc1nc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752753,6.63
+Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3754124,6.95
+Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3752432,7.66
+Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3754080,7.36
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3754656,6.94
+Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12,CHEMBL3753937,6.52
+Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765387,6.08
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765818,8.96
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1,CHEMBL3764083,9.3
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1,CHEMBL3763717,9.52
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1,CHEMBL3764467,8.36
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1,CHEMBL3764434,8.52
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1,CHEMBL3763830,9.15
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1,CHEMBL3764070,8.51
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C(F)(F)F)c2n1,CHEMBL3763199,8.64
+CSc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3763806,8.11
+CS(=O)(=O)c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3764006,7.07
+N#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3763571,7.62
+COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3765580,9.7
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1,CHEMBL3765379,9.7
+Cn1nccc1-c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3764736,5.99
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1,CHEMBL3764945,6.8
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1,CHEMBL3764338,8.18
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1,CHEMBL3764260,8.44
+Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1,CHEMBL3764613,8.27
+Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1,CHEMBL3765526,7.35
+Cc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)c1,CHEMBL3763215,8.08
+Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12,CHEMBL3764697,7.87
+Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1,CHEMBL3763234,7.85
+Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1,CHEMBL3764249,6.8
+C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12,CHEMBL3763766,8.17
+C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12,CHEMBL3763668,6.9
+Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1,CHEMBL3765449,8.0
+Nc1nc(C(=O)NCc2cccc3c2NCCC3)c2cccc(F)c2n1,CHEMBL3764486,8.12
+Nc1nc(C(=O)NCc2cccc3c2OCCO3)c2cccc(F)c2n1,CHEMBL3763972,7.7
+Nc1nc(C(=O)NCc2cccc3c2OCCN3)c2cccc(F)c2n1,CHEMBL3763434,7.67
+Nc1nc(C(=O)NCc2cccc3nc[nH]c23)c2cccc(F)c2n1,CHEMBL3764397,7.6
+CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc21,CHEMBL3764687,8.51
+Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1,CHEMBL3765062,8.09
+Nc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c2cccc(F)c2n1,CHEMBL3765164,8.74
+Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1,CHEMBL3765399,6.03
+Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1,CHEMBL3764081,7.57
+Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1,CHEMBL3765268,8.17
+Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1,CHEMBL3764552,7.82
+COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3763374,7.82
+CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3764812,7.14
+CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3763647,6.61
+Nc1nc(C(=O)NCc2cccc3c(C(=O)N4CCN(c5ccccc5)CC4)ccnc23)c2cccc(F)c2n1,CHEMBL3763829,5.81
+CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1,CHEMBL3763871,7.92
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)NCCCCCc4ccccc4)cnc23)c2cccc(F)c2n1,CHEMBL3765424,8.16
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCCc5ccccc54)cnc23)c2cccc(F)c2n1,CHEMBL3763969,8.36
+COCCOc1ccc(N2CCN(C(=O)c3cnc4c(CNC(=O)c5nc(N)nc6c(F)cccc56)cccc4c3)CC2)cc1,CHEMBL3764598,8.32
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCN(c5ccccn5)CC4)cnc23)c2cccc(F)c2n1,CHEMBL3763514,8.57
+CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3770601,7.7
+CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113496,7.5
+N#CCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL3770782,7.31
+COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1,CHEMBL3800301,6.19
+Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3O)nc12,CHEMBL3799771,6.62
+Nc1nc(-c2ccco2)nc2cn(-c3ccccc3)nc12,CHEMBL3797284,6.71
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(O)c4)cc3n2)o1,CHEMBL3800254,7.85
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1,CHEMBL3799921,7.42
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1,CHEMBL3799848,8.21
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1,CHEMBL3798214,7.29
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4F)cc3n2)o1,CHEMBL3797666,7.24
+COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1,CHEMBL3800587,8.28
+COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1,CHEMBL3799351,8.44
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1,CHEMBL3798754,8.03
+Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12,CHEMBL3798383,7.77
+COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1,CHEMBL3798766,8.27
+Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12,CHEMBL3797324,6.49
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12,CHEMBL3800218,6.39
+Cc1ccc(-c2nc(N)c3nn(-c4ccccc4O)cc3n2)o1,CHEMBL3797799,6.83
+COc1ccccc1-n1cc2nc(-c3ccc(C)o3)nc(N)c2n1,CHEMBL3799210,6.29
+Cc1ccc(-c2nc(N)c3nn(-c4ccccc4)cc3n2)o1,CHEMBL3797433,7.0
+Nc1nc(-c2ccco2)nc2cn(-c3ccccc3O)nc12,CHEMBL3799249,7.05
+COc1ccccc1-n1cc2nc(-c3ccco3)nc(N)c2n1,CHEMBL3797553,6.44
+CC(=O)Oc1cccc2cc(-c3cccs3)c(=O)oc12,CHEMBL3818444,4.73
+CC(=O)Oc1cccc2cc(-c3ccsc3)c(=O)oc12,CHEMBL3819209,4.83
+CC(=O)Oc1ccc2cc(-c3ccsc3)c(=O)oc2c1OC(C)=O,CHEMBL3818301,4.69
+O=c1oc2c(O)cccc2cc1-c1cccs1,CHEMBL3818884,5.13
+O=c1oc2c(O)c(O)ccc2cc1-c1cccs1,CHEMBL3819594,5.0
+O=c1oc2c(O)cccc2cc1-c1ccsc1,CHEMBL3819227,5.01
+O=c1oc2c(O)c(O)ccc2cc1-c1ccsc1,CHEMBL3818574,4.83
+O=c1oc2c(O)c(O)ccc2cc1-c1cc(Br)cs1,CHEMBL3818390,4.91
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCC)c1=O,CHEMBL3827623,5.62
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CCCC)c1=O,CHEMBL3827598,5.99
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827187,6.0
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCCC)c1=O,CHEMBL3827074,6.18
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCCC3)cc2)n(CCCC)c1=O,CHEMBL3827201,6.04
+CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL3827859,6.25
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CC)c1=O,CHEMBL3827583,5.66
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,6.26
+Clc1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3088335,5.82
+Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088337,5.57
+COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088336,5.45
+Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3827748,5.31
+Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1,CHEMBL3828648,5.09
+Clc1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3828047,5.53
+COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC,CHEMBL3827097,5.98
+O=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1,CHEMBL3088338,5.82
+S=C(NCc1ccccc1)N(Cc1ccccc1)c1nc2c(Cl)ncnc2s1,CHEMBL3828590,5.73
+CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3088341,5.66
+CN(C)c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3088342,5.9
+CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3088349,4.95
+c1ccc(Nc2nc3c(N4CCOCC4)ncnc3s2)cc1,CHEMBL3088339,6.48
+c1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1,CHEMBL3088340,6.01
+CN1CCN(c2ncnc3sc(Nc4ccccc4)nc23)CC1,CHEMBL3088343,5.55
+c1ccc(Nc2nc3c(N4CCNCC4)ncnc3s2)cc1,CHEMBL3088344,5.04
+CCN1CCN(c2ncnc3sc(Nc4ccccc4)nc23)CC1,CHEMBL3088345,5.08
+Clc1ccc(Nc2nc3c(N4CCOCC4)ncnc3s2)cc1,CHEMBL3088347,5.85
+Clc1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1,CHEMBL3088348,4.88
+c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3827207,6.45
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3828082,6.7
+Clc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3088334,5.69
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3828238,6.33
+COc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828306,5.95
+Cc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3828214,6.01
+Cc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828388,6.5
+O=[N+]([O-])c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3827990,5.5
+Fc1cccc(F)c1Nc1nc2c(N3CCCC3)ncnc2s1,CHEMBL3827582,5.65
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12,CHEMBL3828448,5.49
+Brc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1,CHEMBL3827889,6.61
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3827171,6.82
+COc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC,CHEMBL3828479,6.99
+COc1cc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc(OC)c1OC,CHEMBL3827396,6.48
diff --git a/chembl_200/CHEMBL253.csv b/chembl_200/CHEMBL253.csv
new file mode 100644
index 0000000000000000000000000000000000000000..40dc11f0452072bdc611b50229e96df9be784bc3
--- /dev/null
+++ b/chembl_200/CHEMBL253.csv
@@ -0,0 +1,3000 @@
+C1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12,CHEMBL148805,6.88
+CC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12,CHEMBL123916,8.69
+CC1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12,CHEMBL149599,6.18
+C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12,CHEMBL127644,8.57
+CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL338484,9.28
+CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C,CHEMBL2112646,8.54
+CC(C)(C)CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL2112647,10.49
+C/N=C(\NS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL156264,5.45
+CS/C(=N\S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL350924,6.0
+COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL311690,8.1
+CCCCCOc1cc(/C=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)ccc1OC,CHEMBL309553,6.92
+CCCCCOc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccc1OC,CHEMBL81708,7.07
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL327822,5.76
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL328970,5.62
+Cc1c(C(=O)N[C@@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2112364,5.23
+Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL93328,6.15
+Cc1c(C(=O)NO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL91666,5.11
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL330030,5.8
+CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL92800,5.16
+CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL284710,5.95
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15874,6.64
+CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL90026,5.51
+CCCCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL558341,5.55
+Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15779,5.37
+Cc1c(C(=O)NCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL90040,5.24
+CCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL93564,5.22
+Cc1c(C(=O)NN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL94239,4.92
+CCCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL419138,5.58
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL314197,5.53
+CNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL88548,5.18
+Cc1c(C(=O)NNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL327587,5.66
+Cc1c(C(=O)N[C@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2111564,5.75
+Cc1c(C(=O)NCCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL93879,5.9
+COc1ccccc1CNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL63365,7.11
+COc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12,CHEMBL66956,6.84
+COc1cccc2c(C(=O)N(Cc3c(F)cccc3Cl)C(C)C)nn(CCN3CCOCC3)c12,CHEMBL67006,7.16
+COc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1,CHEMBL63561,7.17
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCOCC3)c12,CHEMBL431363,7.54
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12,CHEMBL294591,8.7
+CCc1c(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c2cccc(OC)c2n1CCN1CCOCC1,CHEMBL304043,6.96
+COc1cccc2c3c(=O)n([C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C)C5)ccc3n(CCN3CCOCC3)c12,CHEMBL527031,9.0
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c12,CHEMBL68288,7.96
+CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL74415,6.96
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccoc1,CHEMBL39335,6.4
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccoc1,CHEMBL434778,7.17
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1cccn1C,CHEMBL417158,7.15
+CCCCCc1cc2c(c3c1CCCO3)C1C=C(C)CCC1C(C)(C)O2,CHEMBL114189,7.44
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL109393,8.763
+CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL109972,7.58
+CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2,CHEMBL111702,7.76
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2,CHEMBL111340,8.32
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL111724,9.7
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)CC21,CHEMBL432107,9.77
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)CC21,CHEMBL320408,6.77
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc12,CHEMBL113230,7.76
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)CC21,CHEMBL111099,8.13
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=CC21,CHEMBL111148,9.7
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C4CCCCC4)SCCS3)cc1OC2(C)C,CHEMBL117033,8.98
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccccc3)cc1OC2(C)C,CHEMBL119592,9.04
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(c4ccccc4)SCCS3)cc1OC2(C)C,CHEMBL118028,7.75
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCC3)cc1OC2(C)C,CHEMBL325389,9.19
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(=O)c3ccccc3)cc1OC2(C)C,CHEMBL116784,7.63
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C,CHEMBL408123,7.07
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL121768,6.78
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OCCC)cc1-2,CHEMBL124973,6.67
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL124829,6.56
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL127919,7.17
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL122268,6.21
+CCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1,CHEMBL125010,6.95
+CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL338455,8.22
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL123093,6.28
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2,CHEMBL331838,9.0
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2,CHEMBL420173,8.42
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL124649,6.54
+CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1,CHEMBL125061,8.52
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL411626,9.31
+CCCCCCC(C)(C)c1cc2c(c(OP(=O)(OCC)OCC)c1)[C@@H]1CC(C)=CC[C@H]1C(C)(C)O2,CHEMBL56249,6.35
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL56799,8.51
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)cc1,CHEMBL61038,5.67
+CCCCCCC(C)(C)c1cc(OC)c(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL61037,6.36
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL57367,7.862999999999999
+C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC)cc1OC2(C)C,CHEMBL57802,9.24
+C=C1CC[C@@H]2[C@@H](C1)c1c(OC)cc(C(C)(C)CCCCCC)cc1OC2(C)C,CHEMBL294013,7.782999999999999
+CCCCCCC(C)(C)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL56288,8.7
+CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL56747,6.88
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C=O)C[C@@H]21,CHEMBL59540,8.58
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21,CHEMBL58501,7.54
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C=O)C[C@H]21,CHEMBL294472,6.93
+CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1,CHEMBL57840,7.39
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,CHEMBL72374,7.85
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2Cc1cccc(Cl)c1Cl,CHEMBL308847,5.98
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1c(Cl)cccc1Cl,CHEMBL72163,7.23
+COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12,CHEMBL72324,6.85
+COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12,CHEMBL307210,6.4
+Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12,CHEMBL421685,5.11
+COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12,CHEMBL73572,5.4
+Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl,CHEMBL75326,7.57
+COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL72771,6.67
+Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1,CHEMBL274833,7.85
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccccc1Cl,CHEMBL75733,7.16
+Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12,CHEMBL73206,8.07
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL72631,6.36
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(F)cc1Cl,CHEMBL307887,6.87
+COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1,CHEMBL75571,6.45
+COc1ccc2c(c1)c(CN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,CHEMBL308777,7.66
+CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306764,7.632999999999999
+CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306529,8.54
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCCN3CCOCC3)c12,CHEMBL2112290,7.6
+COc1cccc2c(C(=O)NC3CC(C)(C)CCC3(C)C)cn(CCN3CCOCC3)c12,CHEMBL310431,7.66
+COc1cc(Cl)cc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL312093,6.6
+COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12,CHEMBL431184,6.6
+COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)C(C)=O)c(C)n(CCN3CCOCC3)c12,CHEMBL78663,8.1
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL78937,6.53
+CCc1c(C(=O)N[C@H]2C3(C)CCC(C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1,CHEMBL2112292,6.99
+COc1cccc2c(C(=O)NC3CC(C)(C)CCC3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL418916,7.42
+CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL80360,7.62
+COc1cccc2c(C(=O)NC3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN(C)C)c12,CHEMBL2112288,6.3
+COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCCCC3)c12,CHEMBL2112286,7.05
+COc1cc(F)cc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL2112293,7.74
+COc1cccc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL80439,7.52
+COc1cccc2c(C(=O)NC3CCCC3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL78696,6.69
+COc1cccc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12,CHEMBL432750,7.39
+COc1cccc2c(C(=O)NC3C4(C)CCC(C4)C3(C)C)cn(CCN3CCOCC3)c12,CHEMBL420939,7.92
+COc1cccc2c(C(=O)N[C@@H](C)Cc3ccccc3)cn(CCN3CCOCC3)c12,CHEMBL77957,7.15
+CO/N=C(\C)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL421509,6.74
+COCCn1c(C)c(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c2cccc(OC)c21,CHEMBL2112291,7.22
+COc1cccc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)cn(CCN3CCOCC3)c12,CHEMBL2112287,7.89
+COc1cccc2c(C(=O)N[C@H](C)Cc3ccccc3)c(C)n(CCN3CCOCC3)c12,CHEMBL310766,6.58
+COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)c3ccno3)c(C)n(CCN3CCOCC3)c12,CHEMBL312513,6.77
+COC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL309868,7.51
+COC(=O)[C@H](Cc1cccs1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL419282,7.92
+CCCCCn1c(C)c(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c2cccc(OC)c21,CHEMBL2112289,8.3
+COC(=O)[C@H](Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12,CHEMBL80530,7.7
+COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)c3ccon3)c(C)n(CCN3CCOCC3)c12,CHEMBL419289,6.63
+CCCCCn1c(C)c(C(=O)Cc2ccccc2C)c2ccccc21,CHEMBL188494,7.72
+CCCCCn1cc(C(=O)Cc2ccccc2)c2ccccc21,CHEMBL365878,6.8
+CCCCCn1cc(C(=O)Cc2ccc(C)cc2)c2ccccc21,CHEMBL187354,6.24
+CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21,CHEMBL364820,6.835
+CCCCCn1c(C)c(C(=O)Cc2ccccc2)c2ccccc21,CHEMBL186525,6.74
+CCCCCn1c(C)c(C(=O)Cc2cccc(OC)c2)c2ccccc21,CHEMBL188887,7.075
+CCCCCn1c(C)c(C(=O)Cc2ccccc2OC)c2ccccc21,CHEMBL361088,7.09
+CCCCCn1c(C)c(C(=O)Cc2ccc(C)cc2)c2ccccc21,CHEMBL187771,5.87
+CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21,CHEMBL188031,7.48
+CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc21,CHEMBL186674,7.05
+CCCCCn1c(C)c(C(=O)Cc2ccc(OC)cc2)c2ccccc21,CHEMBL364111,6.19
+CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2ccccc21,CHEMBL188940,6.35
+CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc21,CHEMBL190469,7.12
+CCCCCn1cc(C(=O)Cc2ccccc2F)c2ccccc21,CHEMBL187883,7.41
+CCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2ccccc21,CHEMBL187412,6.44
+CCCCCn1c(C)c(C(=O)Cc2ccc(F)cc2)c2ccccc21,CHEMBL190127,6.11
+CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21,CHEMBL189035,8.15
+CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc21,CHEMBL361032,7.6
+CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc21,CHEMBL188822,6.97
+CCCCCn1c(C)c(C(=O)Cc2cccc(Cl)c2)c2ccccc21,CHEMBL188910,6.86
+CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc21,CHEMBL188819,6.3
+CCCCCn1c(C)c(C(=O)Cc2ccc(Cl)cc2)c2ccccc21,CHEMBL187813,5.43
+CCCCCn1cc(C(=O)Cc2ccccc2Br)c2ccccc21,CHEMBL363471,7.7
+CCCCCn1c(C)c(C(=O)Cc2ccccc2Br)c2ccccc21,CHEMBL187559,7.54
+CCCCCn1cc(C(=O)Cc2ccc(Br)cc2)c2ccccc21,CHEMBL190305,6.18
+CCCCCn1cc(C(=O)Cc2cccc(F)c2)c2ccccc21,CHEMBL189545,7.04
+CCCCCn1c(C)c(C(=O)Cc2ccc(Br)cc2)c2ccccc21,CHEMBL186332,5.57
+CCCCCn1c(C)c(C(=O)Cc2cccc(F)c2)c2ccccc21,CHEMBL427524,6.74
+CCCn1c(C)c(C(=O)c2cc([N+](=O)[O-])cc3ccccc23)c2ccccc21,CHEMBL178918,6.84
+CCCn1c(C)c(C(=O)c2cc(N)cc3ccccc23)c2ccccc21,CHEMBL368432,6.72
+CCCn1c(C)c(C(=O)c2cc(NC(=O)CN)cc3ccccc23)c2ccccc21,CHEMBL555145,6.38
+CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL189676,6.35
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1,CHEMBL177403,5.23
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1,CHEMBL177656,5.33
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1,CHEMBL558785,5.45
+COc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCCCC3)c2C)cc1,CHEMBL175369,6.49
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1,CHEMBL174163,6.2
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1,CHEMBL368660,6.12
+Cc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL369205,6.11
+Cc1c(C(=O)NN2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175478,6.3
+Cc1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL367672,5.48
+Cc1c(C(=O)NN2CC3CCCC3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL418721,5.85
+Cc1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL368547,6.45
+Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175650,6.8
+Cc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL176022,6.46
+Cc1c(C(=O)N[C@H]2CC[C@H](O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL176198,5.46
+Cc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL173662,5.4
+Cc1c(C(=O)N2CCc3ccccc3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL175291,6.16
+Cc1c(C(=O)NC2CC3CCC2C3)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL177393,7.27
+Cc1c(C(=O)NOC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL360138,6.62
+Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL178799,5.7
+CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C,CHEMBL369314,5.6
+Cc1c(C(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL178428,6.09
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Cl,CHEMBL436471,6.08
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br,CHEMBL427497,6.13
+N#Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL369072,5.8
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF,CHEMBL177990,6.04
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL558564,5.26
+O=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL15399,6.27
+CCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL426585,6.37
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL368749,6.22
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1,CHEMBL175292,6.31
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1,CHEMBL175368,6.12
+Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl,CHEMBL439657,6.68
+COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1,CHEMBL181633,7.492000000000001
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@@H](C)NS(C)(=O)=O)cc2)cc1,CHEMBL198062,7.52
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc(C(C)(C)NS(C)(=O)=O)cc2)cc1,CHEMBL198252,8.22
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc(CNS(C)(=O)=O)cc2)cc1,CHEMBL197777,8.89
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2Cc2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1,CHEMBL199048,9.22
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL198304,8.17
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL381669,9.4
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL199102,9.0
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2c(F)cccc2F)cc1,CHEMBL197904,8.74
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2OC(F)(F)F)cc1,CHEMBL199029,7.8
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2cccc(F)c2)cc1,CHEMBL198251,8.46
+C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,CHEMBL199089,7.46
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL199139,8.05
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2)cc1,CHEMBL198164,8.7
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2Cl)cc1,CHEMBL198253,8.22
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL381211,7.64
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL197985,8.0
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL382728,9.05
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2OC(F)(F)F)cc1,CHEMBL369948,6.89
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccccc2)c1,CHEMBL197955,9.22
+COc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1,CHEMBL370824,9.05
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(O)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL198616,7.89
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(OC3CCCC3)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL383182,6.63
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL196518,8.1
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL194999,7.24
+Cc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccccc2F)c1,CHEMBL371575,9.3
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL198246,9.05
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2C(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1,CHEMBL2113156,7.36
+CC(NS(C)(=O)=O)c1ccc(C(=O)c2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL198552,6.75
+CC(NS(C)(=O)=O)c1ccc(C(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL197825,6.39
+C=C(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1,CHEMBL383138,6.61
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Nc2ccc(Cl)cc2)cc1,CHEMBL198128,6.56
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Oc2ccc(Cl)cc2)cc1,CHEMBL199243,6.01
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Cc2ccc(Cl)cc2)cc1,CHEMBL381212,6.79
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2C(=O)c2ccc(Cl)cc2)cc1,CHEMBL197940,6.72
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2C(C)(O)c2ccccc2F)cc1,CHEMBL371040,7.11
+C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2C(C)(O)c2ccc(Cl)cc2)cc1,CHEMBL373177,6.64
+CCC(c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL198452,7.12
+CO/N=C(\c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL383349,6.39
+C=C(c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F,CHEMBL370445,7.07
+C/N=C(\NS(=O)(=O)N(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL372650,5.42
+CCN(CC)S(=O)(=O)N/C(=N\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL195050,5.49
+C/N=C(\NS(=O)(=O)N(C)C(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL371829,5.95
+CCN(C)S(=O)(=O)N/C(=N\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL364300,5.73
+C/N=C(\NS(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL196989,5.8
+C/N=C(\NS(=O)(=O)N1CCCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL197040,5.99
+C/N=C(\NS(=O)(=O)N1CCCCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL197099,5.59
+C/N=C(\NS(=O)(=O)N1CCSCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL383580,5.45
+CCN(CC)S(=O)(=O)N/C(=N\C)N1CC(c2cccnc2)C(c2ccc(Cl)cc2)=N1,CHEMBL196048,5.04
+CCN(CC)S(=O)(=O)N/C(=N\C(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL194566,5.56
+CC/N=C(\NS(=O)(=O)N(CC)CC)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL372697,5.54
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL195958,5.88
+C/N=C(\NS(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL194351,5.27
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1081285,5.46
+CCCCCCCC/C=C/C(=O)Nc1ccc(OC)cc1,CHEMBL198132,5.6
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(c2ccc(F)cc2)CC1,CHEMBL200049,5.29
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(c2ccc(C)c(C)c2)CC1,CHEMBL373223,5.38
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC)cc1OC,CHEMBL197601,5.4
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1cc(OC)ccc1OC,CHEMBL381634,5.39
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc(N2CCOCC2)cc1,CHEMBL199873,5.37
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccc(OC)cc1OC,CHEMBL425217,5.4
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCc1ccc(OC)cc1,CHEMBL198079,5.35
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)cc1,CHEMBL200094,5.4
+CCCCCCCC/C=C/C(=O)NCCc1cc(OC)cc(OC)c1,CHEMBL373056,5.28
+CCCCCCCC/C=C/C(=O)NCCc1ccc(OC)cc1,CHEMBL198182,5.29
+CCCCCn1cc(C(=O)NC(C)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL197598,6.76
+CCCCCn1cc(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc21,CHEMBL426107,7.15
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn(Cc4ccccc4)c4ccccc4c1=O)(C3)C2,CHEMBL381431,6.18
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc21,CHEMBL372544,7.8
+CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc21,CHEMBL264521,7.87
+CCCCCn1cc(C(=O)NCCc2ccc3c(c2)OCO3)c(=O)c2ccccc21,CHEMBL201056,6.37
+CCCCCn1cc(C(=O)Nc2ccc(C#N)cc2)c(=O)c2ccccc21,CHEMBL373169,6.11
+CCCCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2ccccc21,CHEMBL201175,6.7
+CCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL200100,6.07
+CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL199907,6.43
+CCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL200179,6.34
+CCCCCn1cc(C(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL370770,6.9
+CCCCCn1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc21,CHEMBL371735,6.23
+CCCCCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21,CHEMBL200646,6.11
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21,CHEMBL200143,7.43
+CCCCCCCC/C=C\CCCCCCCC(=O)ONCCO,CHEMBL380925,5.07
+CCCCCCCC/C=C\CCCCCCCC(=O)N(O)CCO,CHEMBL203189,5.27
+CCCCCCCC/C=C\CCCCCCCC(=O)NOCCO,CHEMBL208270,5.42
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ONCCO,CHEMBL203380,5.62
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(O)CCO,CHEMBL204403,5.72
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NOCCO,CHEMBL382444,7.09
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cc(I)ccc1[N-][N+]#N,CHEMBL208548,6.66
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1C,CHEMBL220180,8.4
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccnc1,CHEMBL218956,7.62
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc2ccccc2c1,CHEMBL374254,6.77
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc2ccccc12,CHEMBL376028,7.31
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(C(F)(F)F)cc1,CHEMBL375791,7.28
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(Cl)cc1,CHEMBL219027,7.6
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(F)cc1,CHEMBL374292,7.48
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(OC)cc1,CHEMBL220413,7.39
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(CCCC)cc1,CHEMBL219580,7.19
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(CC)cc1,CHEMBL426706,7.54
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(C)cc1,CHEMBL385653,7.74
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc([N+](=O)[O-])c1,CHEMBL218253,7.39
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(C(F)(F)F)c1,CHEMBL219556,7.15
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(Cl)c1,CHEMBL374937,7.8
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(F)c1,CHEMBL220304,8.04
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(OC)c1,CHEMBL385994,7.64
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(C)c1,CHEMBL219243,7.41
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1C(F)(F)F,CHEMBL384897,8.09
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1Cl,CHEMBL216837,8.28
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1F,CHEMBL216857,8.48
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1OC,CHEMBL218202,7.7
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1CCCC,CHEMBL375802,7.16
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1CC,CHEMBL220352,8.47
+CCCCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL219970,7.21
+CCCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL374982,8.15
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL385940,8.19
+CCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL216836,7.82
+CCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL217969,6.98
+C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,CHEMBL220360,6.54
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21,CHEMBL334533,6.82
+CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1,CHEMBL224105,6.02
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NC1CC1,CHEMBL375290,5.6
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1,CHEMBL223223,5.68
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1,CHEMBL426923,7.52
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NCCO,CHEMBL223990,6.38
+CCCCCCc1ccc(O)cc1OCCCCCC(=O)NC1CC1,CHEMBL224772,5.45
+CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL225496,6.46
+CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O,CHEMBL224461,5.57
+CCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O,CHEMBL223991,6.27
+CCCCCCc1ccc(OCCCCCC(=O)NCCO)cc1O,CHEMBL224574,5.19
+O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1,CHEMBL224058,5.0
+O=C(CCCCCCCCCCOc1cccc(O)c1)NC1CC1,CHEMBL225342,5.27
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1,CHEMBL427100,5.85
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL225506,7.89
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL224259,6.8
+CCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL426912,7.28
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)NCCO)c1,CHEMBL228346,6.41
+CCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL229872,7.89
+CCCCCCc1ccc(OCCCCCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL229821,5.4
+CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1O,CHEMBL228566,5.54
+CCCCCCc1ccc(OCCCCCCCC(=O)NC2CC2)cc1O,CHEMBL228510,6.55
+CCCCCCc1ccc(OCCCCCCCC(=O)NCCO)cc1O,CHEMBL228509,5.62
+CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NC1CC1,CHEMBL374369,7.41
+CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NCCO,CHEMBL228508,5.85
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCc1ccc(OC)c(O)c1,CHEMBL388393,5.68
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL228507,5.1
+CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCC1CC1,CHEMBL228457,6.33
+CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NC1CC1,CHEMBL228456,5.74
+CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NCCO,CHEMBL228455,5.4
+CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL228405,6.51
+CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1,CHEMBL228404,7.41
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1,CHEMBL228403,5.78
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL228348,7.1
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1,CHEMBL228347,7.41
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,CHEMBL230356,5.89
+Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(C1CCCCC1)C2=O,CHEMBL396798,5.08
+Cc1c2c(n(-c3ccccc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,CHEMBL231201,5.96
+COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(N2CCCCC2)C3=O)cc1,CHEMBL231202,6.07
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL276312,6.62
+O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL389175,5.64
+O=C(NC1CCCCC1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL389198,5.96
+O=C(N[C@H]1CCCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229914,5.28
+O=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229965,5.2
+O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL229967,5.92
+O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1,CHEMBL395321,5.29
+CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1,CHEMBL231118,5.57
+CCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL230801,5.57
+CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1,CHEMBL230800,5.64
+COc1cc(C(=O)O)cc(OC)c1-c1cc(C)cc(C)c1,CHEMBL228429,5.0
+COC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL228374,5.19
+CCCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL228798,5.96
+COC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL228373,5.35
+CCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL228372,5.49
+CCCCCOC(=O)c1cc(O)c(-c2ccccc2)c(O)c1,CHEMBL228852,5.4
+CCCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL436801,6.57
+Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1F,CHEMBL232782,4.55
+CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,CHEMBL244403,7.72
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN2CCOCC2)c1,CHEMBL233185,6.18
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(COC(=O)CN2CCOCC2)c1,CHEMBL233184,9.09
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN)c1,CHEMBL434390,6.42
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CO)c1,CHEMBL233182,6.32
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(C(N)=O)c1,CHEMBL233181,6.49
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(N)c1,CHEMBL234239,7.29
+CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(OC)c1,CHEMBL234209,7.47
+CCCCCCC(C)(C)c1ccc(-c2cccnc2)c(O)c1,CHEMBL234207,7.7
+CCCCCCC(C)(C)c1ccc(-c2cccc(C#N)c2)c(O)c1,CHEMBL238119,7.35
+CCCCCCC(C)(C)c1ccc(-c2ccc(N)cc2)c(O)c1,CHEMBL391136,6.0
+CCCCCCC(C)(C)c1ccc(-c2cccc(N)c2)c(O)c1,CHEMBL237897,7.36
+CCCCCCC(C)(C)c1ccc(-c2ccccc2N)c(O)c1,CHEMBL234897,7.77
+CCCCCCC(C)(C)c1ccc(-c2ccc(OC)c(OC)c2)c(O)c1,CHEMBL237895,5.77
+CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2)c(O)c1,CHEMBL234845,6.24
+CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2OC)c(O)c1,CHEMBL427843,8.11
+CCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1,CHEMBL234678,9.0
+CCCCCCC(C)(C)c1ccc(-c2ccc(C)c(C)c2)c(O)c1,CHEMBL234677,6.08
+CCCCCCC(C)(C)c1ccc(-c2cccc(C)c2C)c(O)c1,CHEMBL391134,7.7
+CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C)c(O)c1,CHEMBL232411,8.18
+CCCCCCC(C)(C)c1ccc(-c2c(C)cccc2C)c(O)c1,CHEMBL232410,7.74
+CNC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL391133,7.41
+CNC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL234842,6.85
+Cc1cc(C)cc(-c2ccc(C(C)(C)CCCCCO)cc2O)c1,CHEMBL234675,8.44
+Cc1cc(C)cc(-c2ccc(C(C)(C)CCCO)cc2O)c1,CHEMBL396628,7.25
+Cc1cc(C)cc(-c2ccc(C(C)(C)CO)cc2O)c1,CHEMBL234016,6.22
+COC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL233637,7.85
+COC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL234014,8.25
+COC(=O)C(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1,CHEMBL391380,7.8
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCCC1,CHEMBL233636,8.77
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCC1,CHEMBL233634,8.26
+CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CC1,CHEMBL233633,7.26
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL232730,8.05
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCCN2C,CHEMBL233139,8.96
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2nonc12,CHEMBL232538,9.05
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2nsnc12,CHEMBL232336,8.89
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2ncccc12,CHEMBL398145,7.96
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2ccccc12,CHEMBL232328,8.22
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc2c(c1)CCCC2,CHEMBL232118,7.62
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCCC2,CHEMBL232116,9.7
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCC2,CHEMBL234175,8.3
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc(C)c1C,CHEMBL232132,9.0
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1OC(F)(F)F,CHEMBL393188,7.92
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1C(F)(F)F,CHEMBL232131,8.96
+CCOc1ccccc1/N=C1\SCC2(CCCCC2)CN1C(=S)SC,CHEMBL232130,8.2
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C#N)cc1,CHEMBL393045,8.64
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(OC(F)(F)F)cc1,CHEMBL232129,8.22
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C(F)(F)F)cc1,CHEMBL231935,7.74
+CCCc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL231934,8.15
+CCc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL392842,8.92
+COc1ccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)cc1,CHEMBL231933,8.42
+COc1cccc(/N=C2\SCC3(CCCCC3)CN2C(=S)SC)c1,CHEMBL231932,9.0
+COc1ccccc1/N=C1\SCC2(CCCCC2)CN1C(=S)SC,CHEMBL231721,8.96
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(C(C)C)cc1,CHEMBL392841,7.64
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc(C(C)C)c1,CHEMBL231719,8.6
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL443842,9.1
+CSC(=S)N1CC2(CCCC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL232929,9.0
+CSC(=S)N1CC2(CC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL232928,7.19
+CCC1(CC)CS/C(=N\c2ccccc2C(C)C)N(C(=S)SC)C1,CHEMBL391561,8.05
+C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(N4CCCC4)cn3)[C@H]12,CHEMBL233343,6.31
+C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccnc4)cn3)[C@H]12,CHEMBL231943,4.89
+O=C(c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O)c1cccc2ccccc12,CHEMBL235278,6.65
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn(Cc4ccc(F)cc4)c4ccccc4c1=O)(C3)C2,CHEMBL238047,7.08
+CCCCCn1cc(C(=O)c2c3ccccc3cc3ccccc23)c(=O)c2ccccc21,CHEMBL236972,5.82
+CCCCCn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21,CHEMBL237166,6.35
+CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c(=O)c2ccccc21,CHEMBL236961,5.89
+O=C(c1cn(CCC2CCCCC2)c2ccccc2c1=O)c1cccc2ccccc12,CHEMBL236962,5.78
+O=C(c1cn(Cc2ccc(Br)cc2)c2ccccc2c1=O)c1cccc2ccccc12,CHEMBL236548,6.02
+O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O)c1cccc2ccccc12,CHEMBL394140,5.95
+O=C(c1cn(Cc2ccccc2)c2ccccc2c1=O)c1cccc2ccccc12,CHEMBL393615,6.18
+CCCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL235057,6.24
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL235908,6.81
+CCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL235698,5.81
+CCCCCn1nc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc21,CHEMBL235042,7.03
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccnc21,CHEMBL235040,7.63
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cnccc21,CHEMBL392288,7.51
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ncccc21,CHEMBL429986,6.59
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc21,CHEMBL235947,6.707000000000001
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c21,CHEMBL235946,7.56
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccc(Cl)cc21,CHEMBL235733,8.28
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cc(Cl)ccc21,CHEMBL235732,7.26
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=S)c2ccccc21,CHEMBL236361,7.74
+CCCCCn1cc(CNC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21,CHEMBL236156,5.78
+CCCCCn1cc(NC(=O)c2cccc3ccccc23)c(=O)c2ccccc21,CHEMBL428553,6.58
+CCCCCn1cc(NC(=O)CCc2ccccc2)c(=O)c2ccccc21,CHEMBL397762,5.95
+CCCCCn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21,CHEMBL393792,7.59
+CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21,CHEMBL237171,6.47
+CCCCCn1c(C)c(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc21,CHEMBL236551,6.18
+CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc21,CHEMBL393931,6.92
+CCCCCn1c(C)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc21,CHEMBL236539,6.7
+CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21,CHEMBL235487,7.485
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc2c1=O,CHEMBL392952,6.82
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn(CCN4CCOCC4)c4ccccc4c1=O)(C3)C2,CHEMBL235900,6.66
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn(CCCc4ccccc4)c4ccccc4c1=O)(C3)C2,CHEMBL394230,6.8
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn(CCc4ccccc4)c4ccccc4c1=O)(C3)C2,CHEMBL238048,6.48
+O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1,CHEMBL239703,4.617
+CCOC(=O)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248135,6.37
+CSC(=S)N1CC(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL245453,7.01
+CSC(=S)N1CCCS/C1=N\c1ccccc1C(C)C,CHEMBL248517,5.8
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1Oc1ccccc1,CHEMBL394122,5.53
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1-c1ccccc1,CHEMBL438507,6.0
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(F)(F)F,CHEMBL245450,6.85
+CCOc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC,CHEMBL396153,7.08
+COc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC,CHEMBL245449,7.74
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1Br,CHEMBL248514,6.43
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1Cl,CHEMBL396152,6.14
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1F,CHEMBL248513,6.6
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)(C)C,CHEMBL245910,6.5
+CCCc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC,CHEMBL395159,7.24
+CCc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC,CHEMBL245909,7.27
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C,CHEMBL245706,6.69
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1,CHEMBL245702,6.5
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccc(C(C)C)cc1,CHEMBL246516,7.66
+CSC(=S)N1CC(C)(C)CS/C1=N\c1cccc(C(C)C)c1,CHEMBL246310,7.48
+CC(C)c1ccccc1/N=C1\SCC(C)(C)CN1Cc1ccccc1,CHEMBL247543,5.87
+CCCN1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL247542,6.04
+CCN1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL247345,5.31
+CC(C)SC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248342,6.56
+CCCSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248341,6.92
+CCSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL392416,7.46
+CCOC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248340,6.64
+CCSC(=O)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248137,7.32
+CCC(=O)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248136,5.68
+CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL391858,7.67
+CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL240527,6.72
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCC#N)c1,CHEMBL393344,8.5
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCC[N-][N+]#N)c1,CHEMBL240315,8.6
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCBr)c1,CHEMBL240314,8.13
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCO)c1,CHEMBL240313,7.96
+CCCCCCC(C)(C)c1ccccc1/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO,CHEMBL393343,6.59
+CCCCCCC(C)(C)c1ccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)cc1,CHEMBL240100,7.11
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(Cc1ccccc1)C2,CHEMBL251004,7.43
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CCC1CCCCC1)C2,CHEMBL251003,5.7
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CCCCC1)C2,CHEMBL250810,6.03
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)C2,CHEMBL250809,8.2
+CCCCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL250808,7.77
+CCCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL400399,7.95
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C(C)C)C2,CHEMBL250609,8.05
+C=CCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1,CHEMBL250608,8.19
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCCO1)C2,CHEMBL250607,7.75
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)C2,CHEMBL250194,6.67
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)C2,CHEMBL399346,7.56
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CCC(C)C)ccc31)CN(C1CCCC1)C2,CHEMBL249992,7.42
+CCCCN(C)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CN(C2CCCC2)C1,CHEMBL399949,7.65
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)C(C)C)ccc31)CN(C1CCCC1)C2,CHEMBL249786,6.97
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(OC)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL399948,7.56
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCOCC4)ccc31)CN(C1CCCC1)C2,CHEMBL249383,6.51
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(F)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL399316,7.35
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCCC1)C2,CHEMBL250493,7.76
+CC(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL400051,7.06
+CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL250491,7.65
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)C3CC3)CN(C3CCCC3)C2)CC1,CHEMBL404211,8.03
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)C(C)C)CN(C3CCCC3)C2)CC1,CHEMBL401480,8.38
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL249025,8.15
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(C)(=O)=O)CN(C3CCCC3)C2)CC1,CHEMBL249024,8.1
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3Cc3ccccc3)CN(C3CCCC3)C2)CC1,CHEMBL400887,6.97
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2,CHEMBL250026,7.63
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CN(C3CCCC3)C2)CC1,CHEMBL249827,7.07
+CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)C4)CC1,CHEMBL399248,5.33
+CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccccc3)CN(C3CCCC3)C2)CC1,CHEMBL250626,7.75
+CCCCCc1cc(O)c2c(c1)CC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL250427,6.85
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1,CHEMBL250565,7.96
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl,CHEMBL151167,7.02
+O=c1c2cn(CCN3CCOCC3)c3ccccc3c-2nn1-c1ccccc1,CHEMBL251163,5.64
+O=c1c2cn(Cc3ccccc3)c3cc(Cl)ccc3c-2nn1C1CCCCC1,CHEMBL250966,5.79
+O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1C1CCCCC1,CHEMBL398646,6.1
+Nc1ccc2c(=O)cc(C(=O)NC3CCCCC3)n(Cc3ccccc3)c2n1,CHEMBL250965,5.1
+O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O,CHEMBL250769,7.55
+O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O,CHEMBL250768,8.19
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(CCN3CCOCC3)c2c1,CHEMBL398446,7.1
+COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2c1,CHEMBL250767,7.1
+CN(C)c1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(CCN3CCOCC3)c2n1,CHEMBL400268,7.03
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C,CHEMBL382684,7.14
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2(Br)Br)cc1O,CHEMBL394006,7.2
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2(Cl)Cl)cc1O,CHEMBL238972,7.48
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O,CHEMBL394305,7.0
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,CHEMBL236171,6.64
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O,CHEMBL239208,7.3
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O,CHEMBL400040,6.96
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCC2)cc1O,CHEMBL238781,6.98
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O,CHEMBL238570,6.65
+C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(-c2ccc(C)cc2)cc1O,CHEMBL241758,6.43
+C=C(CCCCCC)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL239840,8.48
+CCCCCCC(=O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL418555,7.08
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Br)Br,CHEMBL118631,8.99
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL19847,9.063
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL108868,8.72
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SC(C)C(C)S1,CHEMBL325135,7.71
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCCS1,CHEMBL108392,8.44
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)Sc2ccccc2S1,CHEMBL322112,6.59
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1,CHEMBL108085,9.673
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1,CHEMBL476325,9.28
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3SCCS3)cc1OC2(C)C,CHEMBL111345,6.99
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCCC3)cc1OC2(C)C,CHEMBL205888,8.41
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCC3)cc1OC2(C)C,CHEMBL206859,7.6
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cccc4ccccc34)cc1OC2(C)C,CHEMBL381492,8.03
+CCCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL205908,6.97
+CCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL203131,7.29
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)NN3CCCCC3)cc1OC2(C)C,CHEMBL138772,8.49
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCOc3ccc(C#N)cc3)cc1OC2(C)C,CHEMBL136120,8.96
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC#N)cc1OC2(C)C,CHEMBL138917,8.54
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC#N)cc1OC2(C)C,CHEMBL336670,8.96
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Oc3ccccc3)cc1OC2(C)C,CHEMBL398907,7.63
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCCC3)cc1OC2(C)C,CHEMBL252949,9.66
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C,CHEMBL252947,9.41
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL434351,7.28
+N#Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c1-n1cccc1,CHEMBL411112,5.4
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL410912,7.19
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL410913,6.41
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL408968,5.62
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL271824,8.89
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL259042,5.86
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL259255,7.54
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL272203,8.77
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL272035,6.82
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL261381,7.7
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL261382,7.06
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL410727,5.4
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL259476,6.01
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL406924,7.19
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL259684,6.29
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL410728,5.76
+Cc1c(C(=O)NCC2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1,CHEMBL271783,6.41
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1,CHEMBL271988,5.66
+O=C(NC1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1,CHEMBL410496,5.76
+Cc1c(C(=O)NC2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL271782,6.41
+Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL271611,5.4
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL269919,6.24
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL409150,5.4
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL272616,5.4
+CCN(Cc1ccccc1)C(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL428779,5.51
+Cc1c(C(=O)N2CCCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272944,5.31
+Cc1c(C(=O)NCCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL256036,5.22
+Cc1c(C(=O)NC2CCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL404574,4.76
+CCCCNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL409343,5.03
+Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL271500,5.13
+Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL407462,5.4
+Cc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)cc1,CHEMBL257714,4.72
+CCOc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL257713,5.0
+COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,CHEMBL257715,4.64
+Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL406675,5.32
+Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272138,5.18
+Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272350,5.18
+Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CHEMBL272139,4.64
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C,CHEMBL262865,8.353
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(-c4ccccc4)ccc23)C1(C)C,CHEMBL411244,9.392
+COC(=O)c1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL271810,8.857000000000001
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C,CHEMBL270968,7.21
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(C#N)ccc23)C1(C)C,CHEMBL410655,8.3
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C,CHEMBL272189,7.233
+COC(=O)c1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL271805,6.62
+COCc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL406399,7.592
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C,CHEMBL410313,6.95
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(C#N)cc23)C1(C)C,CHEMBL409647,7.52
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCBr)cc23)C1(C)C,CHEMBL272658,7.14
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C,CHEMBL272659,6.582999999999999
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C,CHEMBL271814,7.49
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc([N+](=O)[O-])c23)C1(C)C,CHEMBL411888,6.53
+Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1,CHEMBL1203961,7.57
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C,CHEMBL411937,8.533
+COc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1,CHEMBL409231,6.63
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C,CHEMBL271837,6.96
+CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C,CHEMBL411673,7.04
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C,CHEMBL259462,8.035
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4c(cc23)OCO4)C1(C)C,CHEMBL272868,8.995
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C,CHEMBL272176,7.672999999999999
+COc1cc2c(cc1O)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL270125,9.155
+COc1cc2c(cc1OCc1ccccc1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL270987,8.747
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C,CHEMBL271565,8.517000000000001
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C,CHEMBL270546,9.052
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C,CHEMBL272876,8.895
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C,CHEMBL410842,8.03
+COc1cccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c12,CHEMBL411631,9.93
+COc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL269851,9.29
+COc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL272882,8.34
+COc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1,CHEMBL408964,8.48
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C,CHEMBL270082,8.497
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C,CHEMBL409491,8.072000000000001
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C,CHEMBL270955,8.72
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C,CHEMBL259253,8.41
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(S(C)(=O)=O)ccc23)C1(C)C,CHEMBL271527,8.527000000000001
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(C(F)(F)F)ccc23)C1(C)C,CHEMBL410441,8.46
+Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1,CHEMBL271839,9.795
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C,CHEMBL271838,9.19
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C,CHEMBL411674,8.6
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C,CHEMBL259463,8.18
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C,CHEMBL410676,8.52
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C,CHEMBL410677,8.8
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C,CHEMBL409669,8.307
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C,CHEMBL271158,9.675
+CCCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL259518,6.38
+CCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL259723,6.76
+CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL408777,6.62
+CCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL260253,6.66
+CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL264412,6.15
+CCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL260483,5.75
+CCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL263885,5.87
+CCCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL265934,5.97
+CCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL265933,6.81
+CCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL260130,6.75
+CCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL261495,6.67
+CCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL261494,6.26
+CCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL260005,5.82
+CCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL407763,5.42
+CCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL262337,5.95
+CCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL262336,6.17
+CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL263386,6.64
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL263385,6.34
+CCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL263399,6.19
+CCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL408060,5.69
+CCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL259293,5.4
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(-c3cccnc3)cc2)c1CO,CHEMBL412071,5.64
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL376700,7.69
+COc1ccc([C@@H]2[C@@H](Cc3cc4ccccc4o3)C(=O)N2c2ccccc2)cc1,CHEMBL259646,6.71
+CC(=O)SC(CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1,CHEMBL259562,6.55
+COc1ccc(C2C(CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1,CHEMBL410337,5.91
+COc1ccc([C@@H]2[C@@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1,CHEMBL261595,5.96
+COC(=O)Cn1nnc(Cc2ccc(-c3ccccc3)cc2)n1,CHEMBL258164,5.09
+N#CCn1nnc(Cc2ccc(-c3ccccc3)cc2)n1,CHEMBL257157,5.21
+CC(C)Cn1nnc(Cc2ccc(-c3ccccc3)cc2)n1,CHEMBL255904,5.33
+CC(C)Cn1nnnc1Cc1ccc(-c2ccccc2)cc1,CHEMBL255903,5.11
+CC(=O)Cn1nnc(Cc2ccc(-c3ccccc3)cc2)n1,CHEMBL403167,5.28
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL403628,7.0
+CC(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)Cc2ccccc2)c1,CHEMBL257806,6.47
+CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1Br,CHEMBL255923,6.37
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL256503,6.35
+CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CHEMBL404697,6.4
+CC(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL402137,6.39
+O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL403627,6.44
+O=C(NCc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL256748,6.49
+COc1cccc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1,CHEMBL256749,6.7
+Cc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL429851,6.41
+Cc1ccc(C(=O)NC(C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL404457,6.74
+Cc1ccc(C(=O)NC2C(C)CCCC2C)cc1S(=O)(=O)N1CCOCC1,CHEMBL255681,7.04
+Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL404650,7.32
+Cc1ccc(C(=O)NC(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL258242,7.47
+Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL258244,7.72
+Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL258243,8.0
+Cc1ccc(C(=O)N[C@H]2CC3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL255096,8.09
+Cc1ccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL442447,8.2
+Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1S(=O)(=O)N1CCOCC1,CHEMBL256110,8.25
+Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL255474,8.41
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL256752,7.89
+CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)ccc1Br,CHEMBL256754,7.96
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CHEMBL256753,8.03
+CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL256962,8.46
+O=C(NCCC(c1ccccc1)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1,CHEMBL476317,5.85
+O=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1,CHEMBL517815,5.89
+O=C(Cc1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1,CHEMBL478856,5.62
+O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Br)cc1,CHEMBL478643,5.74
+O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1,CHEMBL476545,5.62
+Nc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL479095,5.92
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1,CHEMBL518595,5.96
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1,CHEMBL479094,6.1
+Cc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL476576,6.19
+COc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CHEMBL478210,6.1
+O=C(NCCC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL478625,5.64
+CC(C(=O)NCCC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CHEMBL478624,6.54
+O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL476529,5.1
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cccc2c1OC(C)(C(C)(C)C)O2,CHEMBL513597,5.99
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(N1CCC(F)(F)CC1)c1ccccc1S2,CHEMBL482567,5.9
+CCCCNC(=O)c1ccc2c(c1)N=C(c1ccccc1Cl)c1ccccc1S2,CHEMBL482771,5.3
+CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(F)c(Cl)c1)c1ccccc1S2,CHEMBL520349,6.0
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@@H]1O,CHEMBL474488,6.76
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@H]1O,CHEMBL485368,6.72
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@H]1O,CHEMBL475904,6.67
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@@H]1O,CHEMBL485369,6.54
+CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]1O,CHEMBL483143,5.79
+CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H]1O,CHEMBL483144,5.62
+CCN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL484163,4.63
+CC(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL482985,5.75
+CC(C)(C)N1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL518982,5.17
+COC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O,CHEMBL519863,6.79
+CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21,CHEMBL457185,7.35
+O=C(N/N=C1\C(=O)N(CCC2CCCCC2)c2ccccc21)c1ccccc1,CHEMBL514406,7.23
+O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1,CHEMBL456535,7.73
+CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21,CHEMBL456803,7.71
+CCCCCCN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2ccccc21,CHEMBL453472,7.86
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)c(C)c21,CHEMBL500925,7.59
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(OCC)cc21,CHEMBL497681,7.62
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21,CHEMBL497326,7.77
+CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc21,CHEMBL497325,7.97
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21,CHEMBL525528,9.1
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(-n3cccc3)cc21,CHEMBL497321,8.44
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(OC)ccc(OC)c21,CHEMBL498132,8.04
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(OC)ccc(OC)c21,CHEMBL498131,7.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Sc3ccccc3)ccc21,CHEMBL524456,8.47
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL498297,7.84
+C=CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL500415,8.03
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc21,CHEMBL500414,7.79
+C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL526153,7.62
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21,CHEMBL502276,8.2
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(F)(F)F)ccc21,CHEMBL524884,7.94
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(/C=C/c3ccc(OC)cc3)ccc21,CHEMBL524731,7.25
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccccc3)ccc21,CHEMBL523577,8.42
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(S(=O)c3ccccc3)cc21,CHEMBL496659,8.46
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(S(=O)(=O)c3ccccc3)cc21,CHEMBL507019,9.05
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL498527,8.8
+CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C#N)no3)ccc21,CHEMBL499324,8.16
+Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccc(F)cc3)c2n1,CHEMBL497304,8.26
+O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL454951,4.68
+CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)CC1,CHEMBL453106,4.52
+O=C(NN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL461737,5.72
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2ccccc12,CHEMBL516406,9.05
+CSC(=O)N1CC2(CCCCC2)CS/C1=N\c1cccc2ccccc12,CHEMBL475772,8.82
+CSC(=O)N1CC2(CCCCC2)CO/C1=N\c1cccc2ccccc12,CHEMBL475610,8.24
+CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12,CHEMBL515604,6.81
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccccc1,CHEMBL475611,7.96
+COc1ccccc1/N=C1\OCC2(CCCCC2)CN1C(=S)SC,CHEMBL469895,9.05
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2nonc12,CHEMBL469896,8.17
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1nc(C(C)(C)C)cs1,CHEMBL511790,9.0
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cc(C(C)(C)C)no1,CHEMBL481508,9.0
+CCC(CC)(CC)c1cc(/N=C2\OCC3(CCCCC3)CN2C(=S)SC)on1,CHEMBL519288,9.0
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cc(C(C)(C)C)on1,CHEMBL449624,8.33
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(F)c2ccccc12,CHEMBL482355,9.1
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(Cl)c2ccccc12,CHEMBL482356,9.05
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(C#N)c2ccccc12,CHEMBL482357,8.74
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL519635,8.62
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(N(C)C)c2ccccc12,CHEMBL481716,8.18
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1cccc2c1CCCC2,CHEMBL480578,9.0
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(Cl)c2c1CCCC2,CHEMBL480579,8.24
+CSC(=S)N1CC2(CCCCC2)CO/C1=N\c1ccc(C#N)c2c1CCCC2,CHEMBL481888,8.72
+O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O,CHEMBL467896,9.15
+C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL466047,9.15
+CC1CCC(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL466651,9.05
+CC1CCC(NC(=O)c2cc3cccnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL466223,8.72
+O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O,CHEMBL508336,8.66
+O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL467475,8.52
+C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467681,8.24
+CC1CCC(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467476,8.11
+O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL466623,8.1
+C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL512063,8.05
+O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL511253,7.66
+O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL446993,7.51
+C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1,CHEMBL467680,7.4
+O=C(NCCc1ccc(F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O,CHEMBL466429,7.16
+CCCCn1c(=O)c(C(=O)NC2CCCCC2)cc2cccnc21,CHEMBL513298,7.15
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL529436,7.59
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O,CHEMBL484392,5.13
+CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O,CHEMBL514886,5.19
+Cc1ccc(-c2nc(CC(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474897,8.28
+Cc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474896,7.64
+Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475093,8.24
+Cc1ccc(-c2nnn(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL515102,7.77
+Cc1ccc(-c2nnn(CC3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475100,7.09
+Cc1ccc(-c2nnc(CC(C)(C)C)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL473697,7.07
+Cc1ccc(-c2nnc(CC3CCCCC3)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL503518,7.57
+Cc1ccc(-c2nnc(C(C)(C)C)[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL473698,7.0
+Cc1ccc(-c2nc(CC(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474300,7.44
+Cc1ccc(-c2nc(C(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1,CHEMBL500856,7.64
+Cc1ccc(-c2c[nH]c(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL475719,7.09
+Cc1ccc(-c2noc(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL472679,7.23
+Cc1ccc(-c2noc(CC3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL472680,6.89
+Cc1ccc(-c2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL508362,7.12
+Cc1ccc(-c2cc(CC(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474080,7.12
+Cc1ccc(-c2cc(CC3CCCCC3)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL514324,7.06
+Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1,CHEMBL474506,6.8
+Cc1ccc(NC(=O)[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL515090,8.77
+Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL473063,7.32
+Cc1ccc(NC(=O)[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL516057,8.03
+Cc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL471671,7.96
+Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL474692,7.96
+Cc1ccc(NC(=O)C2CCCCC2C)cc1S(=O)(=O)N1CCOCC1,CHEMBL514490,7.85
+Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,CHEMBL511150,7.64
+Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL472856,7.64
+Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1,CHEMBL515866,7.46
+Cc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1,CHEMBL470231,6.92
+Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CHEMBL470232,6.27
+Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1,CHEMBL470233,6.92
+Cc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1,CHEMBL516368,6.77
+Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1,CHEMBL516078,5.54
+Cc1ccc(NC(=O)[C@@H]2C[C@@]3(C)CC[C@]2(C)O3)cc1S(=O)(=O)N1CCOCC1,CHEMBL525791,6.18
+Cc1ccc(NC(=O)[C@H]2C[C@@]3(C)CC[C@]2(C)O3)cc1S(=O)(=O)N1CCOCC1,CHEMBL475500,5.7
+Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL516388,8.41
+O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL475493,6.1
+O=C(Nc1cccc2ccccc12)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL494787,8.1
+CC(C)(O)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL506652,8.1
+CC(C)(O)Cn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL523415,6.71
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCC2(O)CCOCC2)c2ccccc21)C(N)=O,CHEMBL497124,6.84
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2(O)CCOCC2)c2ccccc21)C(N)=O,CHEMBL522906,7.04
+CC(C)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL527071,9.0
+CN(C)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21,CHEMBL498152,6.47
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCN2CCCC2)c2ccccc21)C(N)=O,CHEMBL524818,6.62
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2CCCO2)c2ccccc21)C(N)=O,CHEMBL496497,8.22
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCC2CCOCC2)c2ccccc21)C(N)=O,CHEMBL1162994,8.4
+Cc1noc([C@@H](NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)C(C)(C)C)n1,CHEMBL495881,7.82
+Cn1nnc([C@@H](NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)C(C)(C)C)n1,CHEMBL522553,8.3
+CC(C)(C)[C@@H](C#N)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL494986,8.3
+CC[C@H](C)[C@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(N)=O,CHEMBL495391,7.17
+CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(N)=O,CHEMBL523050,8.3
+CNC(=O)[C@@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(C)(C)C,CHEMBL494207,7.7
+CN(C)C(=O)[C@@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(C)(C)C,CHEMBL522675,7.6
+CC(C)(C)[C@@H](CO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL522527,7.82
+O=C(N[C@H]1CCCC[C@@H]1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL494564,6.32
+O=C(NC1c2ccccc2CCC1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL494563,7.29
+O=C(NC1CCOc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL495407,7.13
+CC(NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)c1ccc(F)cc1,CHEMBL493804,6.63
+O=C(NC1CCCCC1)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL494627,7.22
+O=C(N[C@@H]1CCCc2ccccc21)N1Cc2ccccc2N(CCN2CCOCC2)C1=O,CHEMBL521668,8.05
+O=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O,CHEMBL494619,7.39
+O=C(N[C@@H]1CCCc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21,CHEMBL523708,8.15
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl,CHEMBL484504,5.98
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCc1cc(Cl)ccc1-2,CHEMBL518598,6.31
+Cc1cc(Cl)cc(C)c1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL478160,6.12
+Cc1cc(Cl)ccc1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1c(Cl)cc(Cl)cc1Cl,CHEMBL484506,5.75
+Cc1cc(Cl)ccc1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL484505,5.95
+Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl,CHEMBL519011,5.96
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)ccc1-2,CHEMBL389203,6.64
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C(N)=O)cc3)cc1OC2(C)C,CHEMBL471367,7.87
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(C#N)c3)cc1OC2(C)C,CHEMBL471366,9.04
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C#N)cc3)cc1OC2(C)C,CHEMBL472115,8.6
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Br)c3)cc1OC2(C)C,CHEMBL487464,9.27
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(Br)cc3)cc1OC2(C)C,CHEMBL487463,8.81
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Cl)c3)cc1OC2(C)C,CHEMBL521366,8.45
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(Cl)cc3)cc1OC2(C)C,CHEMBL471988,8.77
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(F)c3)cc1OC2(C)C,CHEMBL512531,9.05
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(F)cc3)cc1OC2(C)C,CHEMBL471123,7.91
+CCCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL471122,8.11
+CCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL471297,9.17
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cc(C)cc(C)c3)cc1OC2(C)C,CHEMBL471296,8.13
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccccc3C)cc1OC2(C)C,CHEMBL512343,7.97
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(C)c3)cc1OC2(C)C,CHEMBL471295,8.95
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C)cc3)cc1OC2(C)C,CHEMBL512511,9.06
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1,CHEMBL471980,8.35
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN(C)C)cc1,CHEMBL458143,7.43
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)N4CCCCC4)ccc3n2CC2CC2)cc1,CHEMBL458142,8.4
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)NC(C)C)ccc3n2CC2CC2)cc1,CHEMBL462533,8.24
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)N(CC)CC)ccc3n2CC2CC2)cc1,CHEMBL462330,8.23
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)N(C)C)ccc3n2CC2CC2)cc1,CHEMBL462329,7.39
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)c4cccs4)ccc3n2CC2CC2)cc1,CHEMBL518206,8.3
+CCOc1ccc(Cc2nc3cc(N(C)C(=O)CC(C)C)ccc3n2CC2CC2)cc1,CHEMBL517283,8.4
+CCOc1ccc(Cc2nc3cc(NC)ccc3n2CC2CC2)cc1,CHEMBL462119,5.36
+CCOc1ccc(Cc2nc3cc(N(C)C(C)=O)ccc3n2CC2CC2)cc1,CHEMBL461921,5.87
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cn1,CHEMBL461920,6.88
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)nc1,CHEMBL453843,7.57
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc3n2CC2CC2)cc1,CHEMBL510854,8.25
+CCOc1ccc(Cc2nc3cc(C(=O)N(C)C4CCCCC4)ccc3n2CC2CC2)cc1,CHEMBL453842,7.96
+CCOc1ccc(Cc2nc3cc(C(=O)N4CCCCC4)ccc3n2CC2CC2)cc1,CHEMBL453844,8.16
+CCOc1ccc(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2CC2CC2)cc1,CHEMBL454864,7.85
+CCCN(CCC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1,CHEMBL507572,8.55
+CCCN(C)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1,CHEMBL454607,8.12
+CCNC(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1,CHEMBL454096,7.2
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(Oc3ccccc3)cc1)n2CCC(C)C,CHEMBL510072,8.31
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC3CC3)cc1)n2CCC(C)C,CHEMBL511021,7.28
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC(F)(F)F)cc1)n2CCC(C)C,CHEMBL452039,7.24
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(F)(F)F)cc1)n2CCC(C)C,CHEMBL451779,7.6
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCC3)cc1)n2CCC(C)C,CHEMBL452803,7.37
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCC3)cc1)n2CCC(C)C,CHEMBL453847,7.36
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(C)C)cc1)n2CCC(C)C,CHEMBL453846,8.35
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC)cc1)n2CCC(C)C,CHEMBL487629,7.77
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(O)cc1)n2CCC(C)C,CHEMBL486438,6.1
+CCOc1ccc(C(O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1,CHEMBL488816,7.24
+CCOc1ccc(C(=O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1,CHEMBL527208,7.46
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@@H]2CCCN2C)cc1,CHEMBL519592,7.92
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@H]2CCCCN2C)cc1,CHEMBL488310,8.05
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@H]2CCCCN2)cc1,CHEMBL487456,7.46
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@@H]2CCCCN2)cc1,CHEMBL486440,7.12
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCNCC2)cc1,CHEMBL469693,5.53
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@H]2CCCO2)cc1,CHEMBL512886,7.64
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@@H]2CCCO2)cc1,CHEMBL471558,7.82
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCOCC2)cc1,CHEMBL471374,8.41
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccco2)cc1,CHEMBL472121,7.96
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2cc[n+]([O-])cc2)cc1,CHEMBL471984,6.23
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccncc2)cc1,CHEMBL512906,7.8
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccccn2)cc1,CHEMBL472165,7.41
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccccc2)cc1,CHEMBL471992,7.92
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL511134,8.55
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCCC2)cc1,CHEMBL470965,8.43
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCC2)cc1,CHEMBL471129,9.0
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCC2)cc1,CHEMBL472506,8.8
+CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cc1,CHEMBL472157,8.39
+CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCCC3)cc1)n2CCC(C)C,CHEMBL452804,6.28
+CC(C)C(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL497557,5.31
+O=S1(=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL496091,5.72
+CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccc(OC)cc21,CHEMBL497183,7.05
+CN(c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2CC1CCCCC1)S(=O)(=O)c1ccccc1,CHEMBL523727,8.92
+CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1,CHEMBL525381,8.75
+COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1,CHEMBL522719,8.87
+CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1,CHEMBL496781,8.68
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12,CHEMBL429797,9.09
+CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL497811,8.213
+CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL522550,7.52
+CCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL498346,7.74
+CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL524822,7.4
+CCCCCCC(C)(C)c1cc(OC)c(C2(O)CCOCC2)c(OC)c1,CHEMBL495546,6.47
+CCCCCCC(C)(C)c1cc(OC)c([C@@]2(O)CCC[C@@H](C)C2)c(OC)c1,CHEMBL524058,7.64
+CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1,CHEMBL497392,7.64
+CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21,CHEMBL498767,8.14
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc2n[nH]cc2c1,CHEMBL472897,6.0
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(OC)c1,CHEMBL472898,6.0
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1,CHEMBL434069,7.0
+CC(C)(c1ccccc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL525067,8.97
+COc1cc(C(O)c2ccccc2)cc(OC)c1-c1cc(Cl)cc(Cl)c1,CHEMBL460544,8.78
+COc1cc(C(=O)c2ccccc2)cc(O)c1-c1cc(Cl)cc(Cl)c1,CHEMBL460754,8.32
+CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489834,5.795
+CCCCCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489623,5.61
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL489622,6.22
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1,CHEMBL491862,6.8
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1,CHEMBL491658,7.51
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1,CHEMBL490035,7.1
+CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL490245,6.91
+CCCCCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL490246,6.69
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL521944,6.895
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1,CHEMBL490648,8.1
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL489251,8.1
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NC2CC2)c1,CHEMBL489252,7.7
+CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL491065,6.7
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC2CC2)c1,CHEMBL484887,7.485
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL484888,7.48
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCC2CC2)c1,CHEMBL483670,6.21
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1,CHEMBL488933,5.3
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)c1,CHEMBL519043,6.29
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCCO,CHEMBL489835,5.0
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NC1CC1,CHEMBL490046,5.0
+O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCC1CC1,CHEMBL522123,5.0
+CC(=O)Nc1cccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)c1,CHEMBL513417,7.87
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C=C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL191324,8.05
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL372866,7.12
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL480107,7.57
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL371167,7.85
+COc1ccccc1Cc1cc2c(C(C)C)ccc(C)c2oc1=O,CHEMBL470018,5.25
+COc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O,CHEMBL470017,5.44
+COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1,CHEMBL470016,5.56
+COc1ccccc1Cc1cc2c(OC)cccc2oc1=O,CHEMBL505327,5.46
+COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)cc1,CHEMBL471249,5.24
+COc1cccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c1,CHEMBL511304,5.47
+COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O,CHEMBL471248,5.99
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3O)cc12,CHEMBL470212,5.28
+COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12,CHEMBL513034,5.03
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3Cl)cc12,CHEMBL470602,5.81
+COc1cc(C)cc2oc(=O)c(Cc3ccc(C)cc3)cc12,CHEMBL470619,5.32
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3C)cc12,CHEMBL470618,5.67
+COc1ccccc1Cc1cc2c(ccc3ccccc32)oc1=O,CHEMBL469340,5.69
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL476833,5.38
+Clc1cccc(-c2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)c1Cl,CHEMBL494994,6.745
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL561013,8.427
+CCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL558801,7.8
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL564066,9.31
+CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL563390,6.77
+CCCn1cc(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL551833,6.97
+CCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL561349,7.49
+CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL565042,7.91
+CCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL550949,7.01
+CCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL564888,8.72
+CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL557004,8.92
+CCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL561089,7.85
+CCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL561090,9.14
+CCCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL562895,7.96
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL551351,7.98
+CCCn1c(C)c(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL563670,6.36
+CCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL552087,6.86
+CCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL552088,8.16
+CCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL564407,7.15
+CCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL563929,8.72
+CCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12,CHEMBL539479,8.02
+CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21,CHEMBL564901,9.215
+CCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21,CHEMBL564302,8.96
+CCCc1ccc(C(=O)c2c(C)n(CCC)c3ccccc23)c2ccccc12,CHEMBL565194,7.92
+CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL549603,9.16
+CCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL562350,7.92
+CCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL557627,8.0
+CCCCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL564622,9.38
+CCCCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL539994,8.42
+CCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL561894,6.91
+CCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL564623,6.62
+CCCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12,CHEMBL552499,7.28
+CCCCCn1cc(C(=O)c2ccc(CCCC)c3ccccc23)c2ccccc21,CHEMBL558474,8.14
+CCCCc1ccc(C(=O)c2c(C)n(CCC)c3ccccc23)c2ccccc12,CHEMBL552150,7.31
+CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccccc23)c2ccccc21,CHEMBL540248,8.19
+CCCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL540759,7.98
+CCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL562704,7.13
+CCCCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL562549,7.6
+CCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL550419,6.66
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL562489,8.25
+CCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL556101,7.1
+CCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL564543,8.14
+COc1cccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)C2c2ccc(N3CCOCC3)cc2)c1,CHEMBL554943,5.41
+O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,CHEMBL560462,5.0
+COc1ccccc1NC(=O)C(C)Sc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2,CHEMBL560463,5.0
+CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)nn2-c2ccc(C)cc2C)CC1,CHEMBL557921,5.97
+COc1ccc(C2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)cc1,CHEMBL565190,5.31
+Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(=O)NC2CCS(=O)(=O)C2)CCCC3)c(C)c1,CHEMBL560383,7.24
+Cc1ccc(C2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1,CHEMBL550309,5.0
+CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC(c3ccccc3)c3ccccc3)c2)C1,CHEMBL559035,5.0
+O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL555563,5.14
+O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL558709,4.96
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL572860,6.96
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL576142,6.05
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL574036,6.14
+COc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3c(C)ccc3C)c2C)c(Br)c(OC)c1OC,CHEMBL574970,6.43
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL572620,6.7
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL573087,5.96
+Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL585177,6.18
+COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3cccc3)c2C)cc1Cl,CHEMBL575164,5.71
+Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL575163,5.89
+COc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3cccc3)c2C)c(Br)c(OC)c1OC,CHEMBL573098,6.13
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1cccc1,CHEMBL574053,5.47
+Cc1c(C(=O)NC(C)c2ccccc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL574270,8.24
+Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL575382,7.92
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL579249,8.38
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL575395,7.92
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL577361,6.1
+Cc1c(C(=O)N[C@@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL573546,8.62
+Cc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL574480,8.8
+Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL578848,7.7
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL576549,8.89
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL577165,7.92
+Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL575186,5.92
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL575193,7.0
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL574740,6.1
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL574052,7.1
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL573805,6.51
+COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3c(C)ccc3C)c2C)cc1Cl,CHEMBL573796,5.46
+COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3c(C)ccc3C)c2C)c(Br)c(OC)c1OC,CHEMBL574965,6.26
+Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL572887,7.7
+Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL579247,6.77
+COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3cccc3)c2C)cc1Cl,CHEMBL578003,5.54
+COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3cccc3)c2C)c(Br)c(OC)c1OC,CHEMBL574959,6.22
+Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL574722,6.03
+Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL572613,7.1
+CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL577384,6.5
+CN/C(=N\S(=O)(=O)N1CCCCC1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL575680,6.24
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL574172,6.61
+CN/C(=N\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL578421,6.66
+O=S1(=O)CCN(/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1,CHEMBL585736,6.24
+CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C,CHEMBL568796,8.08
+Cc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571095,7.74
+CC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C,CHEMBL571342,8.745
+CC1(C)C(C(=O)c2cn(CCc3cccs3)c3ccccc23)C1(C)C,CHEMBL569300,8.555
+Cn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL568755,6.805
+CC1(C)C(C(=O)c2cn(CCn3cccc3)c3ccccc23)C1(C)C,CHEMBL570198,8.745
+CC1(C)C(C(=O)c2cn(CCc3ccncc3)c3ccccc23)C1(C)C,CHEMBL569524,7.51
+CC1(C)C(C(=O)c2cn(CCc3cccnc3)c3ccccc23)C1(C)C,CHEMBL578179,7.705
+CC1(C)C(C(=O)c2cn(CCc3ccccn3)c3ccccc23)C1(C)C,CHEMBL582810,7.165
+CC1(C)C(C(=O)c2cn(Cc3ccncc3)c3ccccc23)C1(C)C,CHEMBL570908,8.435
+CC1(C)C(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1(C)C,CHEMBL571774,8.09
+CC1(C)C(C(=O)c2cn(Cc3cccnc3)c3ccccc23)C1(C)C,CHEMBL578178,7.52
+CC(=O)CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL584105,9.0
+COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL570877,8.535
+CC1(C)C(C(=O)c2cn(CCC(N)=O)c3ccccc23)C1(C)C,CHEMBL571097,6.66
+CSCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL569301,9.4
+COCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL572000,8.88
+COCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL570690,8.507
+CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)C,CHEMBL571131,9.15
+CC1(C)C(C(=O)c2cn(CCCCO)c3ccccc23)C1(C)C,CHEMBL576706,8.66
+CC1(C)C(C(=O)c2cn(CCCO)c3ccccc23)C1(C)C,CHEMBL569299,8.675
+CC1(C)C(C(=O)c2cn(CCO)c3ccccc23)C1(C)C,CHEMBL576920,7.25
+CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C,CHEMBL569082,10.06
+CCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571773,8.74
+CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571550,8.7
+CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL579241,8.04
+CC1(C)C(C(=O)c2cn(CCN3C(=O)CCC3=O)c3ccccc23)C1(C)C,CHEMBL570679,6.77
+CC1(C)C(C(=O)c2cn(CCN3CCCC3=O)c3ccccc23)C1(C)C,CHEMBL583244,7.265
+CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C,CHEMBL584742,9.74
+CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C,CHEMBL570454,8.995
+CC1(C)C(C(=O)c2cn(C[C@H]3CCCO3)c3ccccc23)C1(C)C,CHEMBL583680,8.42
+CC1(C)C(C(=O)c2cn(C[C@@H]3CCCO3)c3ccccc23)C1(C)C,CHEMBL571777,8.48
+CC1(C)C(C(=O)c2cn(CCC3CCOCC3)c3ccccc23)C1(C)C,CHEMBL572192,8.555
+CN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL571330,9.32
+CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C,CHEMBL571559,7.59
+CC1(C)C(C(=O)c2cn(CCN3CCCCC3)c3ccccc23)C1(C)C,CHEMBL570876,8.645
+CC1(C)C(C(=O)c2cn(CCN3CCCC3)c3ccccc23)C1(C)C,CHEMBL568807,8.235
+CN(C)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21,CHEMBL569993,8.72
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2,CHEMBL569992,8.23
+O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2,CHEMBL3085420,8.59
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC1C3)C2,CHEMBL571999,8.675
+CC1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC1(Cl)Cl,CHEMBL570660,6.74
+CC1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC(F)(F)C1(F)F,CHEMBL584528,7.33
+O=C(c1cn(CC2CCOCC2)c2ccccc12)C1CCCC1,CHEMBL570907,7.96
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)C12CC3CC(CC1C3)C2,CHEMBL583473,7.645
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2,CHEMBL3085421,7.46
+CC(C)[C@H]1CC[C@H](C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1,CHEMBL571344,6.72
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCCC1,CHEMBL570659,7.955
+CC[C@H]1CC[C@H](C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1,CHEMBL584738,7.8
+O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCC1,CHEMBL570874,6.86
+CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1,CHEMBL565417,6.92
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C,CHEMBL567924,6.28
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1,CHEMBL566248,7.62
+CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)n1,CHEMBL568146,5.74
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)cc(C)n1,CHEMBL568147,7.17
+CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1,CHEMBL570792,8.1
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C#N)cn1,CHEMBL568157,7.0
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(N)cn1,CHEMBL572328,6.06
+Cc1cnc(NC(=O)C(C)(C)C)cc1CN1CCOCC1,CHEMBL566456,7.09
+CCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1,CHEMBL566057,8.28
+CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CC1,CHEMBL566260,7.2
+CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCC1,CHEMBL577489,7.35
+CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCC1,CHEMBL567731,7.89
+CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1,CHEMBL567942,8.15
+Cc1cnc(NC(=O)C2(C)CCCCC2C)cc1CN1CCOCC1,CHEMBL568564,8.72
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL565969,8.41
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CN1CCOCC1,CHEMBL579193,7.72
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCN1CCOCC1,CHEMBL567593,7.35
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCCN1CCOCC1,CHEMBL583654,7.21
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1N1CCOCC1,CHEMBL568682,6.52
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1,CHEMBL568683,7.08
+Cc1ccc(C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1CC(=O)N1CCOCC1,CHEMBL576227,6.15
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1C(=O)N1CCOCC1,CHEMBL576814,5.92
+Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1,CHEMBL576855,7.8
+Cc1ccc(NC(=O)C2CCCCC2C)cc1CN1CCOCC1,CHEMBL577686,7.15
+Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C,CHEMBL568467,8.57
+Cc1cc(NC(=O)C2CCCCC2C)cc(CN2CCOCC2)c1C,CHEMBL568468,8.07
+Cc1c(CN2CCOCC2)cc(NC(=O)C2CCCCC2C)cc1C(F)(F)F,CHEMBL579194,7.77
+Cc1cc(F)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1,CHEMBL577487,7.43
+CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F,CHEMBL567795,6.92
+Cc1cc(C)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1,CHEMBL565515,6.36
+C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL245742,9.15
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(NS(=O)(=O)C(F)(F)F)C1,CHEMBL595451,5.53
+O=S(=O)(N[C@H]1CC[C@@H](NS(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL595452,5.89
+O=S(=O)(N[C@H]1CC[C@H](NS(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL594513,6.63
+O=S(=O)(N[C@H]1CC[C@H](CNS(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL604683,7.37
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL603321,8.26
+O=S(=O)(NCCCCNS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL594535,6.74
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1,CHEMBL594536,7.04
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)CCN(S(=O)(=O)C(F)(F)F)C2,CHEMBL605719,6.12
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL596579,8.77
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](NS(=O)(=O)C(F)(F)F)[C@H]2C1,CHEMBL604704,8.82
+C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC[C@@H]1CNS(=O)(=O)C(F)(F)F,CHEMBL595460,8.15
+C[C@H]1CC(CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F,CHEMBL593434,8.1
+CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL596387,9.41
+CCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL596388,9.7
+CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL595481,8.27
+CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL605932,7.68
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CO)(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL594300,8.52
+CC(O)C1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL593595,8.29
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL593596,8.12
+N#CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL593838,7.43
+C=CCOC(=O)NCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL593823,5.61
+NCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1,CHEMBL607032,6.69
+O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(c2ccccc2)CC1,CHEMBL595913,6.46
+O=S(=O)(c1ccccn1)c1ccccc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL592895,7.96
+O=S(=O)(c1ccccn1)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL592896,8.8
+COc1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCC3(CC2)CC3NS(=O)(=O)C(F)(F)F)cc1,CHEMBL595705,9.19
+O=S(=O)(c1ccccc1F)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL595706,8.7
+O=S(=O)(c1ccccn1)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL596135,8.3
+O=S(=O)(c1ccccc1F)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL596356,8.52
+O=S(=O)(c1ccccn1)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC2NS(=O)(=O)C(F)(F)F,CHEMBL595223,9.05
+Cc1cc(NC(=O)C2C(C)(C)C2(C)C)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593166,7.8
+Cc1cc(NC(=O)C(C)(C)C)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL594553,7.4
+Cc1cc(NC(=O)C(C)(C)c2ccccc2)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593167,6.92
+Cc1cc(NC(=O)C(C)(C)O)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593622,5.68
+Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1C,CHEMBL593625,8.18
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL596401,7.77
+CCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL595035,8.01
+CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL595268,8.96
+COCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL611937,6.96
+CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL609006,6.54
+CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C,CHEMBL591093,6.12
+CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)c(C)c(C)c1C,CHEMBL584224,6.39
+CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCC2,CHEMBL603736,7.92
+CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCCC2,CHEMBL599878,7.85
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NC2CCCC2)c1,CHEMBL592264,7.03
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](O)C2)c1,CHEMBL591795,7.05
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)NCC2CC2)c1,CHEMBL571323,7.18
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2CO)c1,CHEMBL591572,7.37
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1,CHEMBL602591,8.05
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCS(=O)(=O)CC2)c1,CHEMBL605199,8.08
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1,CHEMBL602128,8.16
+CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL602105,8.57
+Cc1c(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1,CHEMBL603476,6.76
+Cc1nc(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)c(C)n1-c1ccccc1,CHEMBL599070,7.7
+Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1,CHEMBL599071,8.57
+Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1,CHEMBL604307,7.86
+Cc1nc(C(=O)NC2C3CC4CC(C3)C2C4)c(C)n1-c1ccccc1,CHEMBL598252,8.01
+Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1,CHEMBL598463,8.46
+CCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc(C)n1-c1ccccc1,CHEMBL600683,8.99
+CCCCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc(C)n1-c1ccccc1,CHEMBL597438,8.01
+CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1,CHEMBL599882,8.8
+CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1-c1ccccc1,CHEMBL604120,7.9
+Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1,CHEMBL596626,7.62
+Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)n1-c1ccccc1,CHEMBL606377,8.08
+CSc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc(C)n1-c1ccccc1,CHEMBL596671,8.0
+O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(Cl)n(-c2ccccc2)c1Cl,CHEMBL597083,7.3
+Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1C1CCCCC1,CHEMBL597084,7.7
+CCCCCc1cc2c(c(C(N)=O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL597105,5.66
+CCCCCc1cc2c(c(C(=O)NC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL598511,5.9
+CCCCCc1cc2c(c(C(=O)N(C)C)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL598097,5.92
+CCCCCc1cc2c(c(C(=O)NC(CO)CO)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL599772,5.7
+CCCCCc1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL590737,6.67
+CCCCCc1cc(C#N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL597907,6.41
+CCCCCc1cc(NC(=O)OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL605128,5.85
+CCCCCc1cc(NS(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL597908,5.76
+CCCCCc1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL602856,5.69
+CCCCCc1cc(NC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL602857,5.85
+CCCCCc1cc(NC(=O)c2ccncc2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL602049,5.75
+CCCCCc1cc(CNC(N)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600024,6.11
+CCCCCc1cc(CNC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL604329,5.82
+CCCCCc1cc2c(c(SC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2,CHEMBL602702,6.33
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600602,9.7
+CCCCCCC(C)(C)c1cc(C#N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600801,8.28
+CCCCCCC(C)(C)c1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL604746,8.54
+CCCCCCC(C)(C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600195,6.67
+CCCCCCC(C)(C)c1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600396,6.59
+CCCCCCC(C)(C)c1cc(NC(=O)c2ccncc2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL600397,5.96
+CCCCCCC(C)(C)c1cc(NS(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL601865,6.59
+CC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL598125,5.86
+O=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1,CHEMBL589093,5.73
+O=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL607977,6.43
+CC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL600064,5.8
+O=C(NC1CCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL609266,5.86
+O=C(NCc1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL590346,5.73
+O=C(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL592703,6.43
+CC(C)CNC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1,CHEMBL590481,5.8
+N#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1,CHEMBL591542,5.85
+O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,CHEMBL592470,6.24
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12,CHEMBL381314,8.16
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12,CHEMBL203924,8.03
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12,CHEMBL204433,7.99
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12,CHEMBL592683,7.55
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc12,CHEMBL592684,6.3
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc12,CHEMBL590764,6.0
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc12,CHEMBL590765,5.97
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12,CHEMBL590766,5.88
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12,CHEMBL600254,7.62
+O=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1088730,5.52
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1086903,5.62
+CCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1087032,5.55
+S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL1088729,5.73
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1088728,6.36
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1087875,6.45
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2cc(Cl)ccc2Cl)CC1,CHEMBL1087874,6.05
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2c(Cl)cccc2Cl)CC1,CHEMBL1087250,6.08
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Br)cc2F)CC1,CHEMBL1087251,6.49
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(F)cc2Cl)CC1,CHEMBL1086605,5.89
+O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2F)CC1,CHEMBL1088161,6.28
+O=C(C1CCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1076884,5.67
+O=C(C1CCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1087521,5.31
+O=C(C1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1087644,5.53
+O=C(N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL1095690,7.6
+O=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089716,6.01
+O=C(N1CCOCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089717,6.21
+CCCCNC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1089718,6.04
+O=C(NN1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093078,5.98
+S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093377,6.17
+O=C(NC1CCCCC1)N1CCN(C(c2cccc(Cl)c2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1093378,6.39
+Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1093735,6.48
+Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NN3CCCCC3)CC2)cc1,CHEMBL1091812,6.5
+COc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1091813,6.54
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1091814,7.28
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1084429,6.56
+O=C(NC1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(Cl)cc2Cl)CC1,CHEMBL1084695,6.8
+CN/C(=N\S(=O)(=O)c1cccc(Cl)c1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081304,6.48
+CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081305,6.61
+CN/C(=N\S(=O)(=O)c1ccc(C(F)(F)F)cc1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1,CHEMBL1081306,6.75
+CN/C(=N\S(=O)(=O)N1CCCCC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081650,5.96
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1,CHEMBL1081992,6.22
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1,CHEMBL1080156,6.23
+CN/C(=N\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,CHEMBL1080545,6.52
+CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12,CHEMBL1081610,8.02
+COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc(C(C)NS(C)(=O)=O)cc2)cc1,CHEMBL1081623,8.35
+CCCCOc1c(OCCF)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12,CHEMBL1081622,7.445
+COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1,CHEMBL1079079,6.26
+CS(=O)c1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1098696,6.4
+CSc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088376,6.43
+CSc1c(C(=O)NN2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088507,6.49
+CSc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088244,6.2
+CSc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1088245,6.09
+CSc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1088221,5.97
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1I,CHEMBL1088220,5.74
+O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CO,CHEMBL1087721,5.12
+CCN1CCN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CC1,CHEMBL1209573,8.4
+C[C@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CCN1C,CHEMBL1209710,9.4
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214374,5.74
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214375,4.83
+CC1(C)Oc2cc(C(=O)N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214376,4.7
+CC1(C)Oc2cc(C(=O)N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214377,4.6
+CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214434,4.82
+CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214435,5.3
+CC1(C)Oc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214436,5.06
+CC1(C)Oc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214437,4.46
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214500,5.57
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214501,4.82
+CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214502,5.0
+CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214503,4.6
+CC1(C)Oc2cc(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214557,4.7
+CC1(C)Oc2cc(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214558,4.6
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214559,7.72
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214560,5.89
+CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1,CHEMBL1212958,6.09
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1,CHEMBL1213721,6.16
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1,CHEMBL1214644,6.26
+CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)cc1,CHEMBL1213722,6.75
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(I)ccc21,CHEMBL1215944,7.69
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc21,CHEMBL1215952,5.41
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(S(=O)c3ccccc3)ccc21,CHEMBL1215953,7.14
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1215943,7.18
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1215942,9.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3cccs3)ccc21,CHEMBL1215941,8.64
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(O)cc3)ccc21,CHEMBL1215918,8.38
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C3=CCCCC3)ccc21,CHEMBL1215919,8.08
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(Cl)cc3)ccc21,CHEMBL1215917,7.96
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(F)cc3F)ccc21,CHEMBL1215916,7.8
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(Cl)s3)ccc21,CHEMBL1215908,7.35
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(OC)nc3)ccc21,CHEMBL1215909,7.23
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3c(C)noc3C)ccc21,CHEMBL1215901,6.9
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(C#N)cc3)ccc21,CHEMBL1215900,7.38
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3cc(C)c(OC)c(C)c3)ccc21,CHEMBL1215898,7.67
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc4cc(OC)ccc4c3)ccc21,CHEMBL1215899,7.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3cnn(CC(C)C)c3)ccc21,CHEMBL1215892,7.29
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(/C=C/C(C)(C)C)ccc21,CHEMBL1215890,7.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccc(-c4ccccc4)cc3)ccc21,CHEMBL1215891,6.74
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C#Cc3ccccc3)ccc21,CHEMBL1215889,6.46
+C#Cc1ccc2c(c1)c(=O)c(C(=O)NC13CC4CC(CC(C4)C1)C3)cn2CCCCC,CHEMBL1215888,8.06
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(/C=C/c3ccccc3)ccc21,CHEMBL1215954,7.18
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-n3cccc3)ccc21,CHEMBL1215955,9.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-n3ccnc3)ccc21,CHEMBL1215963,8.1
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C3CCCCC3)ccc21,CHEMBL1215964,8.14
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc21,CHEMBL1215976,7.77
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CCc3ccccc3)ccc21,CHEMBL1215977,7.25
+C#CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21,CHEMBL1215978,7.3
+CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc21,CHEMBL1215991,8.3
+CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(Br)ccc21,CHEMBL1215992,6.4
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(Br)ccc21,CHEMBL1215993,6.05
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1215994,7.23
+C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1216000,8.36
+CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1216001,8.62
+CCCCCC1=NN(C(=O)Nc2cccc3ccccc23)CC1c1ccccc1,CHEMBL1224690,7.44
+CCCCCC1=NN(C(=O)NCc2ccccc2)CC1c1ccccc1,CHEMBL1224689,6.59
+CCCCCC1=NN(C(=O)NCC2CCCCC2)CC1c1ccccc1,CHEMBL1224688,7.28
+CCCCCC1=NN(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1c1ccccc1,CHEMBL1224687,8.1
+CCCCCC1=NN(C(=O)NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)CC1c1ccccc1,CHEMBL1224631,7.88
+CCCCCC1=NN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1,CHEMBL1224630,8.2
+CCCCCC1=NN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1c1ccccc1,CHEMBL1224629,7.83
+CCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccccc1,CHEMBL1224691,7.75
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccccc1,CHEMBL1223589,7.45
+CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1,CHEMBL1223590,7.13
+CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1F,CHEMBL1223591,7.05
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1ccsc1,CHEMBL1223592,7.21
+CCCCCC1=NN(C(=O)NC2CCCCC2)CC1c1ccccc1,CHEMBL1223646,7.1
+CCCCCC1=NN(C(=O)NC2CCCCCC2)CC1c1ccccc1,CHEMBL1223647,7.7
+CCCCCC1=NN(C(=O)NC2CCCCCCC2)CC1c1ccccc1,CHEMBL1223648,7.58
+CCCCCC1=NN(C(=O)NC2CCCc3ccccc32)CC1c1ccccc1,CHEMBL1223649,7.65
+CCCCCC1=NN(C(=O)Nc2ccccc2C(F)(F)F)CC1c1ccccc1,CHEMBL1223650,7.82
+CCCCCC1=NN(C(=O)c2cccc3ccccc23)CC1c1ccccc1,CHEMBL1223715,6.99
+CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1,CHEMBL1223716,7.92
+CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1,CHEMBL1223775,8.47
+CCCCCN1N=C(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1,CHEMBL1223776,8.15
+CCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1,CHEMBL1223777,6.92
+CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1c1ccccc1,CHEMBL1223778,7.7
+CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1c1ccccc1F,CHEMBL1223835,8.04
+COCCn1c(C)c(C)s/c1=N\C(=O)C1C(C)(C)C1(C)C,CHEMBL1254015,9.182
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259243,8.15
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259244,8.48
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)SCCS1,CHEMBL1259000,7.49
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259001,7.82
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259018,7.92
+CC1(C)Oc2cc(C3(CCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259037,8.88
+CC1(C)Oc2cc(C3(CCCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259038,8.52
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259057,8.23
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)CCC1,CHEMBL1259076,8.29
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1259091,8.79
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1259092,8.79
+Cc1c(C(=O)NCCCCCCCCCCCN(C)CCCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269776,6.37
+Cc1c(C(=O)NCCCCCCCCCN(C)CCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269775,6.58
+Cc1c(C(=O)NCCCCCCCN(C)CCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270662,5.71
+Cc1c(C(=O)NCCCCCCCN(C)CCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269770,6.17
+Cc1c(C(=O)NCCCCCN(C)CCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269769,5.98
+Cc1c(C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269774,6.52
+Cc1c(C(=O)NCCCCCCCCCNCCCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269773,6.38
+Cc1c(C(=O)NCCCCCCCNCCCCCCCN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1270463,6.21
+Cc1c(C(=O)NCCCCCCCNCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269766,6.26
+Cc1c(C(=O)NCCCCCNCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269765,6.35
+Cc1c(C(=O)NCCCNCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269019,6.3
+Cc1c(C(=O)NCCNCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1269764,5.89
+COC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1271296,8.6
+CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccn2)CC1,CHEMBL1271194,8.8
+CCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1271093,9.4
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccn1)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)C(F)(F)F,CHEMBL1270987,9.4
+CN(C)c1ncccc1S(=O)(=O)n1c(S(=O)(=O)N2CCC(CNS(=O)(=O)C(F)(F)F)CC2)cc2ccccc21,CHEMBL1270888,7.64
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1cccnc1)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1270887,7.39
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccn1)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1270784,9.05
+O=S(=O)(c1ccccc1F)c1ncccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1270783,6.1
+O=S(=O)(c1ccccc1F)c1occc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1270681,8.85
+Cn1c(S(=O)(=O)c2ccccc2F)c(S(=O)(=O)N2CCC(CNS(=O)(=O)C(F)(F)F)CC2)c2ccccc21,CHEMBL1270680,7.15
+COc1ccc2c(c1)cc(S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)n2S(=O)(=O)c1ccccc1F,CHEMBL1270579,9.1
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1C[C@H]2[C@H](CNS(=O)(=O)C(F)(F)F)[C@H]2C1,CHEMBL1270481,8.05
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)C(F)(F)F,CHEMBL1270389,9.0
+CC[C@]1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C[C@H]1C,CHEMBL1270287,8.51
+CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CCC1CNS(=O)(=O)C(F)(F)F,CHEMBL1270193,8.38
+C[C@H]1C[C@H](CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F,CHEMBL1270083,7.8
+C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1CNS(=O)(=O)C(F)(F)F,CHEMBL1269973,8.82
+C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1CNS(=O)(=O)C(F)(F)F,CHEMBL1269867,9.3
+CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1,CHEMBL1271400,7.11
+CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1271295,8.74
+CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1271193,9.46
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC(O)(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1271092,9.7
+CC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1270986,6.77
+CC(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,CHEMBL1270886,9.4
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,CHEMBL1270885,9.42
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CC(CCNS(=O)(=O)C(F)(F)F)C1,CHEMBL1270782,6.6
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC2(CC1)CN(S(=O)(=O)C(F)(F)F)C2,CHEMBL1270781,5.07
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC2(CC(NS(=O)(=O)C(F)(F)F)C2)C1,CHEMBL1270679,6.34
+O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCCC(CCNS(=O)(=O)C(F)(F)F)C1,CHEMBL1270578,6.59
+C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccoc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL1270480,8.36
+C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)n2cccc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL1270479,8.08
+C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)cc1,CHEMBL1270388,8.12
+C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1,CHEMBL1270387,9.15
+CCCCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277593,7.47
+CCCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277592,7.55
+CCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277499,7.15
+CCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277498,6.58
+CCCCCc1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277409,6.26
+CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL1277685,10.49
+COc1cccc2c(C(=O)N3CCN4CCCC[C@H]4C3)cn(CC3CCCCC3)c12,CHEMBL1287846,8.4
+O=C(c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1,CHEMBL1287847,9.4
+O=C(/C=C/c1ccc2ccccc2c1)CCC(=O)NCCO,CHEMBL1288120,5.99
+CCOC(=O)CNC(=O)CCC(=O)/C=C/c1ccc2ccccc2c1,CHEMBL1288150,5.6
+O=C(/C=C/c1ccc2ccccc2c1)CCCC(=O)NCCO,CHEMBL1288208,5.99
+O=C(/C=C/c1ccc2ccccc2c1)CCCC(=O)NC1CC1,CHEMBL1288209,5.69
+O=C(CCC(=O)NCCO)CCc1ccc(-c2ccccc2)cc1,CHEMBL1288239,5.65
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631160,5.83
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631161,6.1
+CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631162,6.69
+Cc1c(C(=O)NCCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631163,5.63
+CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631164,6.42
+CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631165,6.59
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631166,5.71
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631167,6.34
+CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631168,6.31
+Cc1c(C(=O)NCCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631169,5.49
+CCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)c(-n2c(C)ccc2C)c1C,CHEMBL1631290,6.31
+CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631291,6.69
+CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)c(-n2c(C)ccc2C)c1C,CHEMBL1631292,6.44
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631293,5.95
+Cc1c(C(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631294,7.84
+CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1629731,8.24
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1631289,7.28
+CCCCCCC(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C,CHEMBL1631295,6.62
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631296,5.75
+Cc1c(C(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631297,7.69
+CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631298,6.92
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1631299,6.87
+CCCCCCC(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C,CHEMBL1631300,6.87
+Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C,CHEMBL1631301,6.79
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C,CHEMBL1641936,7.7
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C,CHEMBL1641937,7.54
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C,CHEMBL1641938,7.54
+CCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641939,6.38
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641940,7.84
+CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641942,7.63
+CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641943,8.18
+CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641944,7.74
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641945,8.4
+CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1,CHEMBL1641946,7.87
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1,CHEMBL1641947,7.97
+CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)cc1-c1ccccc1,CHEMBL1641948,8.0
+CCCCCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)cc1-c1ccccc1,CHEMBL1641949,6.43
+CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1,CHEMBL1641950,7.04
+CCCCCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1-c1ccccc1,CHEMBL1641951,7.59
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)cc1,CHEMBL1641952,7.1
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1,CHEMBL1641953,7.11
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1,CHEMBL1641955,8.74
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl,CHEMBL1641956,9.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1,CHEMBL1641957,7.88
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1,CHEMBL1641958,7.04
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1,CHEMBL1641959,7.73
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=S)cc1-c1ccccc1,CHEMBL1641960,7.32
+CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1,CHEMBL1641961,6.68
+CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1,CHEMBL1641962,7.29
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL1641963,7.69
+FC(F)(F)c1cccc(-c2c[nH]c(-c3cccc(CN4CCOCC4)c3)n2)c1,CHEMBL1644675,7.38
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C,CHEMBL1668396,8.52
+CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)(C)CCCCC#N)cc1OC2(C)C,CHEMBL1668516,8.03
+CCCCCCC1CCCc2c1cc1c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O1,CHEMBL303479,8.27
+N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F,CHEMBL1354658,7.34
+Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216276,10.42
+CCCCCn1cc(C(=O)NC2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21,CHEMBL1668517,8.62
+CC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21,CHEMBL495528,6.37
+Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1C1CC1,CHEMBL1668520,7.8
+Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1,CHEMBL385508,7.3
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21,CHEMBL1668521,8.1
+CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccc(C)cc23)c2ccccc21,CHEMBL1668395,8.19
+COc1ccc(OC)c2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1668509,7.28
+Cc1c(Cl)ccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1668510,7.59
+CCC1CCC(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1,CHEMBL1668511,7.8
+Cc1ccc(C(=O)NC2C(C)(C)[C@@H]3CC[C@]2(C)C3)cc1S(=O)(=O)N1CCOCC1,CHEMBL1668512,8.41
+CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1,CHEMBL1668513,8.05
+CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL1668514,8.57
+Cc1nc(C(=O)NC23CC4CC(CC2C4)C3)c(C)n1-c1ccccc1,CHEMBL1668515,8.01
+Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1,CHEMBL1668504,8.46
+Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(Br)cc2)n1CC1CC1,CHEMBL1668505,8.92
+Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(OC(F)(F)F)cc2)n1CC1CC1,CHEMBL1668506,8.24
+COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1,CHEMBL1668507,8.0
+COc1cccc2c(C(=O)N3C[C@H](C)N(C)[C@H](C)C3)cn(CC3CCCCC3)c12,CHEMBL1209708,9.1
+CN(CC(N)=O)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1,CHEMBL1682272,8.2
+COc1ccc(-c2c(Br)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765819,6.76
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2cccc(Br)c2)c1-c1ccccc1,CHEMBL1765678,6.65
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765685,6.63
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccc(Br)cc2)c1-c1ccccc1,CHEMBL1765679,6.18
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765683,5.72
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2F)c1-c1ccccc1,CHEMBL1765673,5.66
+COc1ccc(-c2c(C#N)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2I)cc1,CHEMBL1765818,5.63
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1,CHEMBL1765682,5.61
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765684,5.56
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC(CO)CO,CHEMBL122972,5.863
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL1800730,6.42
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,CHEMBL1800731,6.35
+C#CCCCC(=O)OCC(CO)OCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL1800732,7.07
+Cc1cc(-c2cc(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl,CHEMBL1800082,6.59
+Cc1c(CCN2CCOCC2)c2cc(OCCF)ccc2n1C(=O)c1cccc(Cl)c1Cl,CHEMBL1807841,7.57
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21,CHEMBL1814458,8.995
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc([N+](=O)[O-])c21,CHEMBL1814459,9.0
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)cc(OC)c21,CHEMBL1814460,7.64
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccccc3)cc(OC)c21,CHEMBL1814461,6.37
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)cc(OC)c21,CHEMBL1814462,8.07
+CCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL1814463,8.135
+CCCCc1[nH]c2ccc(Br)cc2c(=O)c1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL1814464,5.93
+CCCCc1[nH]c2ccc(-c3ccco3)cc2c(=O)c1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL1814465,6.88
+CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2cc(Br)ccc21,CHEMBL1814466,7.53
+CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2cc(-c3ccco3)ccc21,CHEMBL1814467,7.82
+CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21,CHEMBL1814468,9.7
+COc1cccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1814469,5.46
+CCCCCOc1cccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12,CHEMBL1814470,7.22
+O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2c(-c3ccccc3)cccc2c1=O,CHEMBL1814471,6.66
+CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1,CHEMBL1822926,7.64
+CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12,CHEMBL2096743,7.65
+CCCCCc1cc2cc(C(=O)OC)c(=O)[nH]c2c(O)c1OC,CHEMBL1822939,10.85
+CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12,CHEMBL1822940,10.68
+CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC,CHEMBL1822941,10.44
+CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC,CHEMBL1822942,10.37
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12,CHEMBL1822943,10.07
+CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12,CHEMBL1822944,10.7
+CCCCOc1c(OC)ccc2cc(C(=O)O)c(=O)[nH]c12,CHEMBL1822946,10.49
+CCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c12,CHEMBL1822928,8.55
+COc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC,CHEMBL1822929,8.3
+CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12,CHEMBL1822930,8.62
+COc1ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c2c1OC,CHEMBL1822931,7.66
+CCCCOc1c(OC)ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c12,CHEMBL1822932,9.1
+CCCCOc1c(OC)c([N+](=O)[O-])cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12,CHEMBL1822933,8.85
+CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12,CHEMBL1822935,6.31
+CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12,CHEMBL1822936,7.24
+CCCCOc1c(OC)ccc2cc(C(=O)NCc3cn(CCF)nn3)c(=O)[nH]c12,CHEMBL1822937,6.21
+CCCCOc1c(OC)ccc2cc(C(=O)NCCc3cn(CCF)nn3)c(=O)[nH]c12,CHEMBL1822938,5.62
+CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,CHEMBL497318,6.06
+CCCCCc1cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1,CHEMBL1823117,6.74
+CCCCCn1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21,CHEMBL1828799,7.4
+CCCCCn1cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc21,CHEMBL1828800,7.2
+CCCCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21,CHEMBL1828801,8.1
+COCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21,CHEMBL1828804,6.2
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21,CHEMBL2218896,8.2
+CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21,CHEMBL1828805,7.0
+CCCCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21,CHEMBL1828806,6.2
+COCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21,CHEMBL1828807,6.6
+COCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21,CHEMBL1828808,6.5
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL1828809,7.3
+COCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL1828810,6.7
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21,CHEMBL1828632,6.3
+COCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21,CHEMBL1828811,7.6
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cnccc21,CHEMBL1828812,7.3
+CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(CC4CCOCC4)c4c(cc23)OCO4)C1(C)C,CHEMBL1836186,8.99
+CCOC(=O)/C(=C/c1cn(CCN2CCCCC2)c2ccccc12)C(=O)c1ccccc1,CHEMBL1836188,5.86
+N#C/C(=C\c1cn(CCN2CCOCC2)c2ccccc12)S(=O)(=O)c1ccccc1,CHEMBL1836189,7.99
+CCOC(=O)/C(=C/c1cn(CCN2CCOCC2)c2ccccc12)C(=O)c1ccccc1,CHEMBL1836121,5.8
+N#C/C(=C\c1cn(CCN2CCCCC2)c2ccccc12)S(=O)(=O)c1ccccc1,CHEMBL1836187,8.12
+CCCCCN1C(=O)/C(=N\NC(=O)CN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccc(OC)cc21,CHEMBL1836868,6.41
+Cc1c(C(=O)Nc2cc[n+]([O-])cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834006,5.34
+Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cn1,CHEMBL1834007,5.4
+Cc1c(C(=O)NCC2CCC(CNS(N)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834020,5.64
+Cc1c(C(=O)Nc2ccc(C)[n+](C)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834008,5.64
+Cc1c(C(=O)NC[C@H]2CC[C@@H](CNS(N)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834277,5.75
+Cc1c(C(=O)Nc2ccncc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL428693,5.76
+Cc1c(C(=O)NCCCCCCCNS(N)(=O)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834014,6.0
+Cc1c(C(=O)NC[C@H]2CC[C@@H](CNS(C)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834021,6.02
+Cc1c(C(=O)NCC2CCC(CNS(C)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834019,6.05
+Cc1c(C(=O)NCCCCCCCNS(C)(=O)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL1834013,6.11
+N#Cc1c(C(F)(F)F)ccc2c1oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c12,CHEMBL1834522,5.74
+N#Cc1c(C(F)(F)F)ccc2c1oc1ccc(OS(=O)(=O)CCCC(F)(F)F)cc12,CHEMBL1834523,5.48
+N#Cc1c(C(F)(F)F)ccc2c1oc1cc(OS(=O)(=O)CCCC(F)(F)F)ccc12,CHEMBL1834524,6.5
+N#Cc1c(C(F)(F)F)ccc2c1oc1c(OS(=O)(=O)CCCC(F)(F)F)cccc12,CHEMBL1834525,6.6
+N#Cc1c(C(F)(F)F)ccc2c1Oc1c(cccc1OS(=O)(=O)CCCC(F)(F)F)C2,CHEMBL1834526,5.94
+Cc1ccc([C@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1910034,6.62
+Cc1ccc([C@@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CHEMBL1910035,6.64
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl,CHEMBL1909843,7.01
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl,CHEMBL1909844,7.74
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(Cl)ccc1Cl,CHEMBL1909845,6.87
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(Cl)ccc1Cl,CHEMBL1909846,7.72
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cc2c(c1)CCCC2,CHEMBL1909847,7.14
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cc2c(c1)CCCC2,CHEMBL1909848,6.42
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1909849,6.34
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1,CHEMBL1909850,7.8
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1909851,7.25
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C,CHEMBL1909852,6.12
+CCc1ccc(CC)n1-c1c(C)c(C(=O)NC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL1909854,6.39
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl,CHEMBL1909855,7.27
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl,CHEMBL1909856,9.05
+Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(Cl)ccc1Cl,CHEMBL1909857,6.79
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(Cl)ccc1Cl,CHEMBL1909858,8.89
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL1909859,7.53
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1,CHEMBL1909860,9.29
+CCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL1909861,6.94
+CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C,CHEMBL1909957,8.77
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923756,5.1
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923757,6.06
+CCCCCCc1ccc(OCCCCCCCC(=O)OC(CO)CO)cc1O,CHEMBL1923758,5.1
+CCCCCCc1ccc(OCCCCCCCCCCC(=O)OC(CO)CO)cc1O,CHEMBL1923759,5.1
+CCCCCCc1ccc(O)cc1OCCCCCCCC(=O)OC(CO)CO,CHEMBL1923760,5.74
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)OC(CO)CO,CHEMBL1923761,5.74
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923762,6.1
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923763,6.1
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)OC(CO)CO)c1,CHEMBL1923764,6.1
+CCCCCc1cc(O)cc(OCCCCCCOC(CO)CO)c1,CHEMBL1923765,6.04
+CCCCCc1cc(O)cc(OCCCCCCCCOC(CO)CO)c1,CHEMBL1923766,5.94
+CCCCCCc1ccc(OCCCCCCOC(CO)CO)cc1O,CHEMBL1923769,5.95
+CCCCCCc1ccc(OCCCCCCCCCCOC(CO)CO)cc1O,CHEMBL1923770,5.62
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCOC(CO)CO)c1,CHEMBL1923771,6.72
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1,CHEMBL1923772,6.96
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCOC(CO)CO)c1,CHEMBL1923773,6.42
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCCOC(CO)CO)c1,CHEMBL1923774,5.78
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)OCC(O)CO)c1,CHEMBL1923775,5.1
+CCCCCCc1ccc(OCCCCCCCCCCC(=O)OCC(O)CO)cc1O,CHEMBL1923776,4.98
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)OCC(O)CO,CHEMBL1923777,5.32
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)OCC(O)CO)c1,CHEMBL1923778,6.51
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O,CHEMBL1928336,5.52
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CHEMBL1928337,5.27
+CCOc1ccc(Cc2nc3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1,CHEMBL1950329,9.25
+C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)CC2,CHEMBL1950330,7.85
+CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2,CHEMBL1950351,8.05
+CN(Cc1ccccc1)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL1952279,6.31
+CN(Cc1ccccc1)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1,CHEMBL1952280,5.4
+CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2010909,6.98
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)O2)C3)sc2c1CCOC2,CHEMBL2010908,6.59
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2,CHEMBL2010907,7.47
+CCCNC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCOC2,CHEMBL2010906,6.98
+CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCOC2,CHEMBL2010905,7.04
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCN(C)C2,CHEMBL2010904,7.04
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2,CHEMBL2010902,8.71
+O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CCOCC1,CHEMBL2010901,7.04
+O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CC(F)(F)C1,CHEMBL2010900,8.25
+COCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010899,6.92
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010898,7.68
+CCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010897,6.67
+O=C(NC1(C(=O)O)CCCCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019078,8.21
+O=C(O)CNC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019079,6.75
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O,CHEMBL2018656,6.46
+O=C(NC1(C(=O)O)CCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019080,7.25
+O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019081,8.17
+O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2019082,6.95
+CCCCn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2,CHEMBL2019083,7.25
+COCCn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2,CHEMBL2019092,6.53
+O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCO3)c1=O)CCCCCC2,CHEMBL2019084,6.61
+CCN1CCCC1Cn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2,CHEMBL2019085,5.67
+O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(Cc3ccc(F)cc3)c1=O)CCCCCC2,CHEMBL2019086,7.8
+N#Cc1ccc(Cn2c3c(cc(C(=O)NC4(C(=O)O)CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2019087,6.84
+CCCCn1c(CC)c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O,CHEMBL2019088,6.46
+CCCCn1c(CCC)c(Br)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O,CHEMBL2019089,6.42
+CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1,CHEMBL2019090,7.44
+CCCc1c(CC)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1,CHEMBL2019091,6.58
+COc1cccc2c(-c3nsc(CN4CCN(CC(N)=O)CC4)n3)cn(CC3CCOCC3)c12,CHEMBL2017678,7.8
+O=C(NCCO)[C@H]1CCCN(Cc2nc(-c3cn(CC4CCS(=O)(=O)CC4)c4c(Cl)cccc34)ns2)C1,CHEMBL2017682,7.7
+NC(=O)CN1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CC1,CHEMBL2017684,7.3
+O=C(NCCO)C1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CC1,CHEMBL1682275,7.7
+COC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018655,9.52
+CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018657,9.22
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO,CHEMBL2018658,9.0
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCCCO,CHEMBL2018659,8.92
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCOCCO,CHEMBL2018660,9.22
+CN(C)CCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018661,7.09
+CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2018662,8.6
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCC(=O)O,CHEMBL2018663,5.55
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCC(N)=O,CHEMBL2016599,8.22
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1,CHEMBL2018664,8.96
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(=O)O)CC1,CHEMBL2018665,6.42
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(N)=O)CC1,CHEMBL2018666,8.52
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(NS(C)(=O)=O)CC1,CHEMBL2018778,8.36
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(C(=O)NS(C)(=O)=O)CC1,CHEMBL2018779,6.89
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN,CHEMBL2018780,8.55
+CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NNS(C)(=O)=O,CHEMBL2018781,8.14
+CC(C)[C@H](NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O,CHEMBL2023044,6.94
+O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023045,8.92
+O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023046,8.52
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023047,7.48
+O=C(O)c1ccccc1NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023048,6.74
+O=C(O)c1cccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)c1,CHEMBL2023049,6.21
+O=C(O)c1ccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2023574,6.97
+O=C(O)Cc1ccccc1NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2,CHEMBL2023575,7.34
+O=C(O)Cc1cccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)c1,CHEMBL2023576,6.92
+O=C(O)Cc1ccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2023577,7.13
+O=C(O)c1ccc(CNC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1,CHEMBL2023578,6.033
+O=C(O)c1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1,CHEMBL2023580,6.05
+O=C(O)Cc1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1,CHEMBL2023581,7.66
+O=C(O)Cc1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1,CHEMBL2023582,8.34
+O=C(O)CCc1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1,CHEMBL2023583,7.74
+O=C(NC1CCCCCC1)c1cccnc1OCc1ccc(F)cc1,CHEMBL2022703,7.6
+O=C(NC1CCCCC1)c1cccnc1OCc1ccc(F)cc1,CHEMBL2022702,6.6
+O=C(NC1CCCCC1)c1cccnc1OCc1ccccc1,CHEMBL2022701,6.04
+O=C(NC1CCCCC1)c1cc2ccccc2nc1OCc1ccc(F)cc1,CHEMBL2022700,6.89
+O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O,CHEMBL2022699,6.1
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(F)cc2)c1=O,CHEMBL2022698,8.11
+O=C(NC1CCCCC1)c1cccn(CCN2CCOCC2)c1=O,CHEMBL2022697,5.1
+O=C(NC1CCCCC1)c1cccn(Cc2ccc(F)cc2)c1=O,CHEMBL2022696,7.7
+O=C(NC1CCCCC1)c1cccn(Cc2ccccc2)c1=O,CHEMBL2022695,6.7
+O=C(NC1CCCCCC1)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL2022694,8.74
+O=C(NC1CCCCC1)c1c(O)c2cccnc2n(CCN2CCOCC2)c1=O,CHEMBL2022692,8.62
+O=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O,CHEMBL2022365,7.1
+O=C(NC1CCCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O,CHEMBL2022364,8.7
+O=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O,CHEMBL2022363,9.6
+O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O,CHEMBL2022362,8.05
+O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O,CHEMBL2022361,8.54
+O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccccc2)c1=O,CHEMBL2022360,7.8
+Cc1c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030738,5.26
+CCNC1(C(N)=O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030739,5.65
+Cc1c(C(=O)N2CCC(NC(=O)OC(C)(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030740,5.68
+Cc1c(C(=O)N2CCC(N)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030741,5.95
+CC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030742,6.67
+Cc1c(C(=O)N2CCC(NS(C)(=O)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2029362,7.39
+Cc1c(C(=O)N2CCC(NC(=O)NC(C)(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030743,4.7
+Cc1c(C(=O)N2CCC(NC(=O)NCc3ccccc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030744,4.77
+Cc1c(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030746,4.7
+Cc1c(C(=O)N2CCC(NC(=O)Nc3ccc(N(C)C)cc3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030747,4.79
+CCCCCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030748,5.62
+Cc1c(C(=O)N2CCC(NC(=O)NC(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030749,5.31
+CCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030750,6.74
+CCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030751,6.53
+Cc1c(C(=O)N2CCC(NC(=O)NC3CCCCC3)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030752,4.7
+CCCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030753,5.56
+Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030754,5.6
+CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030756,5.65
+Cc1c(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030759,5.48
+CCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030761,5.24
+Cc1c(C(=O)NC2CCN(C(=O)NC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030762,5.01
+CCCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030763,5.07
+CCCCNC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030764,5.06
+CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL2030765,5.52
+CC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030768,5.36
+Cc1c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030769,4.96
+CCCNC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030926,5.11
+CCOC(=O)N1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030929,5.27
+Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030930,5.17
+Cc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030933,5.9
+Cc1c(C(=O)N[C@@H]2CCCN(C(=O)NC(C)C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2030935,5.38
+CCCNC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030936,5.51
+CCCCNC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030937,5.52
+CCOC(=O)N1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)C1,CHEMBL2030939,5.6
+CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1,CHEMBL2029729,7.81
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1,CHEMBL2029726,7.31
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1,CHEMBL2029725,7.67
+CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1,CHEMBL2029721,7.58
+CCN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1,CHEMBL2057795,7.09
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@@H]3CCOC3)c2n1,CHEMBL2057803,7.7
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H]3CCOC3)c2n1,CHEMBL2057804,7.32
+CC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063122,4.69
+CCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063235,4.78
+CC(C)C(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063236,5.27
+CC(C)C(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063237,5.48
+CC(C)C(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063238,4.96
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCCCC1,CHEMBL2063239,6.02
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCOCC1,CHEMBL2063240,4.82
+COCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063241,4.81
+CCOCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063242,5.18
+CCNC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063245,4.83
+N#CC1(C(=O)NC2CCCOc3c2nn(-c2ccccc2Cl)c3-c2ccc(Cl)cc2)CC1,CHEMBL2063246,4.67
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccon1,CHEMBL2063247,4.77
+O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccno1,CHEMBL2063248,4.92
+CS(=O)(=O)CC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063250,4.23
+CC(C)C(=O)N(C)C1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063251,5.06
+O=C1CCCN1C1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1,CHEMBL2063252,4.12
+CC1(C)Oc2cc(C(=O)c3ccccc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064052,6.23
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4o3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064055,6.68
+CC1(C)Oc2cc(C(=O)c3coc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064056,6.93
+CC1(C)Oc2cc(C(=O)c3ccsc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064058,5.81
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4s3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064059,6.95
+CC1(C)Oc2cc(C(=O)c3csc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064060,6.9
+CC1(C)Oc2cc(C(=O)c3cccc(C(F)(F)F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064068,7.43
+CC1(C)Oc2cc(C(=O)c3c[nH]c4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064069,6.8
+Cn1cc(C(=O)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)c2ccccc21,CHEMBL2064070,5.52
+C=CCn1cc(CC(=O)NC2CCCCC2)c2cc(OCc3cccc(OC)c3)ccc21,CHEMBL2087087,6.4
+C=CCn1cc(CC(=O)NC2CCCCCC2)c2cc(-c3ccco3)ccc21,CHEMBL2087088,6.42
+C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087089,7.3
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087090,6.96
+Cn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087091,7.01
+CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087092,7.17
+CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087093,7.93
+C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087094,7.3
+CCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087095,7.69
+C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087096,7.75
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087097,7.15
+O=C(Cc1cn(Cc2ccccc2)c2ccc(-c3ccccc3)cc12)NC12CC3CC(CC(C3)C1)C2,CHEMBL2087098,6.72
+CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087099,9.43
+CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087100,7.9
+C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087101,7.99
+C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087102,7.6
+CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2cc(-c3ccccc3)ccc21,CHEMBL2087103,7.95
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087104,8.74
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccc(O)cc3)ccc21,CHEMBL2087105,7.65
+C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087106,8.24
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21,CHEMBL2087107,7.94
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21,CHEMBL2087108,8.61
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3cccs3)ccc21,CHEMBL2087109,8.2
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(-c3ccccc3)cc21,CHEMBL2087110,8.45
+C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc21,CHEMBL2087111,5.96
+CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc21,CHEMBL2087112,6.77
+O=C(Cc1c[nH]c2ccc(-c3ccccc3)cc12)NC12CC3CC(CC(C3)C1)C2,CHEMBL2087113,7.15
+O=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(c2ccccc2)=N1,CHEMBL2151370,6.3
+Cc1cc(C2=NN(C(=O)NC3C4(C)CCC(C4)C3(C)C)CC2Cc2ccccc2)ccc1Cl,CHEMBL2151377,6.16
+Cc1ccc(CC2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1,CHEMBL2151379,6.41
+Cc1ccc(CC2CN(C(=O)NC3C4(C)CCC(C4)C3(C)C)N=C2c2ccc(Cl)c(C)c2)cc1,CHEMBL2151380,6.6
+Cc1cc(C2=NN(C(=O)NC3CCCCC3)CC2C2CCCC2)ccc1Cl,CHEMBL2151381,5.44
+Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152799,7.03
+CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152800,8.14
+CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152801,8.54
+CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152802,9.1
+CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152803,9.52
+Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(F)cc32)c1,CHEMBL2152804,7.5
+CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152805,8.1
+COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152806,8.26
+C=Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21,CHEMBL2152807,7.82
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O,CHEMBL2152808,7.82
+Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152809,7.8
+CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152810,8.36
+CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152811,9.4
+CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152812,10.0
+CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152813,10.05
+Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc32)c1,CHEMBL2152814,6.86
+CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152815,8.89
+COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152816,8.96
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O,CHEMBL2152817,8.19
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O,CHEMBL2152818,8.6
+CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1c[nH]c2cc(F)ccc2c1=O,CHEMBL2151057,6.02
+CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Br)cc21,CHEMBL2152820,6.89
+CCCCCn1cc(C(=O)NC(C)C)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152821,7.83
+CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152822,7.11
+CCCCCn1cc(C(=O)NC(CC)CO)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152823,7.7
+CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152824,6.64
+CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152825,7.05
+CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152826,7.88
+CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152827,7.71
+CCCCCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152828,6.93
+CCCCCn1cc(C(=O)NOC)c(=O)c2ccc(Sc3ccccc3)cc21,CHEMBL2152829,6.47
+CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc2)cc1)Cc1ccccc1,CHEMBL2160225,6.24
+CCN(CC)CCOc1cccc(C(=O)c2c(-c3ccc(OCCCCCCCN(C)Cc4ccccc4)cc3)oc3ccccc23)c1,CHEMBL2160223,6.16
+CCN(CC)Cc1ccc(C(=O)c2c(-c3ccc(OCCCCCCCN(C)Cc4ccccc4)cc3)oc3ccccc23)cc1,CHEMBL2160222,5.95
+CCN(CC)CCOc1ccc(C(=O)c2c(-c3ccc(OCCCCCCCN(C)Cc4ccccc4)cc3)oc3ccccc23)cc1,CHEMBL2160224,5.93
+CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1,CHEMBL2160219,5.75
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@H]2Cc1ccccc1,CHEMBL2163929,8.43
+CC(C)C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163928,8.03
+CC(C)[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163927,7.79
+CC(C)[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163926,8.91
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163580,7.06
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163579,8.31
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163578,6.73
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163577,8.39
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163576,7.11
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163575,7.33
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163574,6.73
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163573,7.62
+CCC1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163572,7.38
+CCC1COc2c(N3CCCC3)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163571,8.09
+CCC1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163948,8.17
+CCC1COc2c(F)c(F)cc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163947,7.48
+CCC1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163946,8.13
+CC1(C)COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163945,7.25
+CC(C)C1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163944,8.43
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163943,8.05
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163942,8.51
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163941,7.82
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163940,7.98
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163939,7.42
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(C)(CC(C)(C6)C4)C5)cn1c23,CHEMBL2163938,8.44
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163937,8.63
+CCCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163935,9.49
+CCC1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23,CHEMBL2163934,7.07
+CCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23,CHEMBL2163933,6.58
+CCC1COc2cccc3c(=O)c(C(=O)Nc4ccncc4)cn1c23,CHEMBL2163932,6.82
+CCC1COc2cccc3c(=O)c(C(=O)NC(C)CCC(C)C)cn1c23,CHEMBL2163931,7.8
+CCC1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23,CHEMBL2163930,7.88
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163964,8.03
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163963,7.66
+CC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163962,7.33
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163961,7.42
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163960,7.22
+Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3C(c1ccccc1)CO2,CHEMBL2163958,7.74
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC56CC7CC(CC(C7)C5)C6)cn2c34)cc1,CHEMBL2163957,6.39
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1,CHEMBL2163956,6.33
+CC1Oc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn(c23)C1c1ccccc1,CHEMBL2163954,6.48
+CC1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)C1c1ccccc1,CHEMBL2163953,6.27
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn4c5c(cccc5c1=O)OCC4c1ccccc1)(C3)C2,CHEMBL2163952,8.46
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163951,7.85
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163950,9.09
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163949,8.6
+O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163965,7.01
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccccc2)c1C,CHEMBL2170525,6.72
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C,CHEMBL2170526,7.87
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccc(CC)cc2)c1C,CHEMBL2170528,7.27
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccncc2)c1C,CHEMBL2170529,7.44
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(I)c1C,CHEMBL2170530,7.68
+Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCCC(F)(F)F,CHEMBL2170532,9.55
+Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCC1CCOCC1,CHEMBL2170533,6.71
+Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CC1CCOCC1,CHEMBL2170534,7.62
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C,CHEMBL2170542,7.61
+CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C,CHEMBL2170545,9.59
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C,CHEMBL2170544,8.19
+CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C,CHEMBL2170546,7.82
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C,CHEMBL2170547,8.04
+CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C,CHEMBL2170548,7.85
+CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C(C)(C)C,CHEMBL2170549,8.02
+CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C,CHEMBL2170550,8.05
+CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C,CHEMBL2170551,7.99
+CCCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2181541,5.0
+CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCCC1,CHEMBL2181546,7.31
+CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCC1,CHEMBL2181544,7.17
+CCCCC1(c2cc(OC)c3cc(Cc4ccccc4OC)c(=O)oc3c2)CCCC1,CHEMBL2181543,5.94
+CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2181542,6.53
+CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2181540,6.68
+CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2181539,5.52
+CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177264,6.33
+CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177263,5.39
+CCCCCc1cc(O)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1,CHEMBL2177262,5.66
+CCCCCc1cc(OC)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1,CHEMBL2177261,6.46
+CCCCCc1cc(O)c2cc(Cc3ccccc3Cl)c(=O)oc2c1,CHEMBL2177260,5.71
+CCCCCc1cc(OC)c2cc(Cc3ccccc3Cl)c(=O)oc2c1,CHEMBL2177259,6.73
+CCCCCc1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1,CHEMBL2177258,5.32
+CCCCCc1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1,CHEMBL2177257,7.31
+CCCCCc1cc(O)c2cc(Cc3cccc(C)c3)c(=O)oc2c1,CHEMBL2177256,5.75
+CCCCCc1cc(OC)c2cc(Cc3cccc(C)c3)c(=O)oc2c1,CHEMBL2177255,6.41
+CCCCCc1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1,CHEMBL2177254,5.45
+CCCCCc1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1,CHEMBL2177253,6.39
+CCCCCc1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177252,5.77
+CCCCCc1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1,CHEMBL2177251,6.57
+CCCCCc1cc(O)c2cc(Cc3cccc(O)c3)c(=O)oc2c1,CHEMBL2177250,5.29
+CCCCCc1cc(OC)c2cc(Cc3cccc(OC)c3)c(=O)oc2c1,CHEMBL2177249,6.84
+COc1cccc(Cc2cc3c(OC)cc(CBr)cc3oc2=O)c1,CHEMBL2181552,4.88
+COc1cccc(Cc2cc3c(OC)cc(Br)cc3oc2=O)c1,CHEMBL2181551,5.61
+CCCCC(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1,CHEMBL2179729,4.44
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccccc1F,CHEMBL2179773,4.45
+CCCCCC(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1,CHEMBL2179730,4.74
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc(F)c1,CHEMBL2179774,4.9
+Nc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179770,4.9
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccccc1C(F)(F)F,CHEMBL2179767,4.93
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(F)cc1,CHEMBL2179775,4.96
+O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccccc1F,CHEMBL2179757,4.96
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccccc1,CHEMBL2179772,5.0
+O=C(Cc1ccccc1)NC(CCc1ccccc1)NC(=O)Cc1ccccc1,CHEMBL2179750,5.03
+O=C(Cc1ccccc1)NC(/C=C/c1ccccc1)NC(=O)Cc1ccccc1,CHEMBL2179725,5.25
+CCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1,CHEMBL2179732,5.45
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1,CHEMBL2179760,5.51
+CCN(CC)c1ccc(C(NC(=O)C(C)C)NC(=O)C(C)C)cc1,CHEMBL2179731,5.58
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(Br)cc1,CHEMBL2179761,5.65
+CCOc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179765,5.82
+COc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179764,6.11
+CN(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179776,6.11
+CCN(CC)c1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1,CHEMBL2179726,6.16
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1,CHEMBL2179768,6.22
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1,CHEMBL2179755,6.23
+Cc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179762,6.31
+Cc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2179737,6.34
+CC(C)Oc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179766,6.5
+COc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2179738,6.51
+CCCCN(CCCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179752,6.66
+CCN(CC)c1ccc(C(NC(=O)CCc2ccccc2)NC(=O)CCc2ccccc2)cc1,CHEMBL2179727,6.67
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL2179753,6.69
+CCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(CC)CC)cc1,CHEMBL2179733,6.74
+CCN(CC)c1ccc(C(NC(=O)/C=C/c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1,CHEMBL2179728,6.78
+CCCCCCCCCC(=O)NC(NC(=O)CCCCCCCCC)c1ccc(N(CC)CC)cc1,CHEMBL2179736,6.8
+O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccccc1C(F)(F)F,CHEMBL2179739,6.8
+O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL2179759,6.81
+CCCCCCCC(=O)NC(NC(=O)CCCCCCC)c1ccc(N(CC)CC)cc1,CHEMBL2179735,6.84
+O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1,CHEMBL2179740,7.0
+CC(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179763,7.07
+O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1,CHEMBL2179754,7.15
+CCN(CC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179771,7.19
+CCCCCC(=O)NC(NC(=O)CCCCC)c1ccc(N(CC)CC)cc1,CHEMBL2179734,7.6
+CCCN(CCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1,CHEMBL2179751,7.66
+O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL2180214,5.23
+CS(=O)(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180211,5.97
+CCCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180209,5.81
+CCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180208,6.82
+CC(C)NC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180207,5.61
+CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180205,5.77
+CC(C)(C)OC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180226,4.85
+CCCNC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180222,5.11
+CC(C)NC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180221,5.05
+CCNC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180220,5.33
+CC(C)(C)NC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180219,4.7
+CS(=O)(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180218,6.02
+NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180217,5.78
+CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180216,4.86
+NC(=O)C1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2180215,5.26
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206851,7.89
+CCCCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206850,8.48
+CCCn1c(C)c(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206849,6.27
+CCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21,CHEMBL2206848,6.82
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206847,8.0
+CCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206846,8.27
+CCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206845,6.56
+CCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21,CHEMBL2206844,6.72
+CCCCCn1c(C)c(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206843,7.72
+CCCCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206842,8.0
+CCCn1c(C)c(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206841,6.76
+CCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21,CHEMBL2206840,6.87
+CCCCCn1c(C)c(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206839,8.68
+CCCCCn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206838,8.89
+CCCn1c(C)c(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206837,7.7
+CCCn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL2206836,8.18
+CCCCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206835,8.55
+CCCCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206834,8.96
+CCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206833,7.51
+CCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL2206861,7.57
+CCCCCn1c(C)c(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206860,8.64
+CCCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206859,8.55
+CCCn1c(C)c(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206858,7.66
+CCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21,CHEMBL2206857,7.36
+CCCCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206856,8.66
+CCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206855,8.49
+CCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206854,7.42
+CCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL2206853,7.48
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1c(F)cccc1C(F)(F)F,CHEMBL2205593,6.35
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205592,6.62
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205591,7.09
+COC1CN(C(=O)c2c(NC(=O)c3ccccc3C(F)(F)F)sc3c2CCOC3)C1,CHEMBL2205588,6.05
+COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2205584,6.04
+COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2,CHEMBL2205620,6.0
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205616,6.46
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205615,6.62
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL2316262,8.445
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12,CHEMBL2316261,7.7
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc21,CHEMBL2316259,8.49
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc21,CHEMBL2316284,8.95
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21,CHEMBL2316283,8.16
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21,CHEMBL2316282,7.91
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc21,CHEMBL2316281,7.68
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21,CHEMBL2316280,7.73
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21,CHEMBL2316279,8.06
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(-c3ccc(Cl)cc3)nn(C)c21,CHEMBL2316278,5.55
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(-c3ccc(Cl)cc3)nn(C)c21,CHEMBL2316277,5.44
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21,CHEMBL2316274,7.94
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316273,6.99
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316272,6.63
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316271,6.44
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316270,5.45
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21,CHEMBL2316269,7.43
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c21,CHEMBL2316268,6.33
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316267,5.44
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316264,6.28
+CCCCCn1cc(C(=O)NC(C)CCC(C)C)c(=O)c2c(C)nn(C)c21,CHEMBL2316301,6.67
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316300,8.01
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316299,8.02
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316298,7.95
+CCCCCn1cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316297,7.97
+CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316296,7.94
+CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316295,6.43
+Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1,CHEMBL2316292,6.02
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316291,6.49
+CCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316287,6.39
+CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316286,6.86
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316285,7.07
+CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1,CHEMBL2326303,6.65
+CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,CHEMBL2326302,6.97
+CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)c2ccc(C)cc2)cc1,CHEMBL2326301,7.14
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2326300,8.37
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326299,8.24
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326298,8.27
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2326297,9.3
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326296,8.52
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326295,8.25
+CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326294,8.47
+CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(Cl)cc2)cc1,CHEMBL2326293,6.785
+CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1,CHEMBL2326292,6.87
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2326291,6.65
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326290,8.55
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326289,7.43
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2326288,7.85
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326287,7.44
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326286,7.14
+CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326285,7.8
+CCN(CC)c1ccc(CNc2ccc(Cl)cc2)cc1,CHEMBL2326284,5.17
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)C1CCCCC1,CHEMBL2326282,6.67
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)c1ccc(N(C)C)cc1,CHEMBL2326281,5.89
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)Cc1ccc(Cl)cc1,CHEMBL2326280,6.16
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)Cc1ccccc1,CHEMBL2326279,5.88
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)CCCC,CHEMBL2326278,6.165
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL2326277,6.56
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(Cl)cc1,CHEMBL2326276,5.17
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(F)cc1,CHEMBL2326275,5.96
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL2326273,5.285
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL2326036,4.89
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1cccc(C)c1,CHEMBL2326035,5.64
+CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1,CHEMBL2326034,5.56
+CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2326033,7.22
+CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2326032,7.42
+CCCCCCCC(=O)N(Cc1ccc(N(CC)CC)cc1)C12CC3CC(CC(C3)C1)C2,CHEMBL2326031,6.2
+CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2321921,7.46
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2326312,6.34
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2cccc(C)c2)cc1,CHEMBL2326311,7.72
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326310,7.33
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2326309,6.86
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2326308,6.76
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2326307,7.6
+CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1,CHEMBL2326306,7.08
+CCN(CC)c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2326305,4.7
+Cc1ccc(S(=O)(=O)N(CCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2326304,6.72
+C=CCc1ccc(O)c(-c2ccc(OC)c(CC=C)c2)c1,CHEMBL89700,7.36
+C/C=C/c1ccc(O)c(-c2cc(/C=C/C)ccc2O)c1,CHEMBL179840,5.5
+CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1,CHEMBL32362,6.38
+C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1,CHEMBL180920,5.84
+C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,CHEMBL16901,5.25
+O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1,CHEMBL2336529,6.85
+COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1,CHEMBL2336528,7.49
+Cc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1,CHEMBL2336527,6.51
+CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336549,8.4
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336548,7.26
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336547,7.12
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336546,7.51
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336545,7.7
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336544,7.52
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336543,8.27
+C=CCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1,CHEMBL2336542,7.18
+CCN(CC)c1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336541,7.44
+CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336540,7.85
+CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336539,7.74
+CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336538,8.26
+CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336537,7.85
+CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336536,8.02
+CCN(CC)c1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336535,7.47
+CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336534,6.92
+CCN(CC)c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336533,6.41
+CCN(CC)c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336532,6.68
+CCN(CC)c1ccc(CN(Cc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336531,6.27
+CCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336530,6.92
+CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336571,5.44
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL2336570,6.78
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL2336569,6.72
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL2336568,6.24
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1,CHEMBL2336567,7.03
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL2336566,7.34
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1,CHEMBL2336565,7.15
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CHEMBL2336564,6.33
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL2336563,6.77
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL2336562,6.99
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL2336561,7.14
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1,CHEMBL2336560,6.58
+CCN(CC)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1,CHEMBL2336559,6.82
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(C)C)cc2)cc1,CHEMBL2336558,6.64
+CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336557,6.55
+C=CCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336556,6.89
+CCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336555,6.89
+CCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336554,6.64
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC(C)C)cc2)cc1,CHEMBL2336553,6.76
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1,CHEMBL2336552,7.36
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(CCCl)CCCl)cc2)cc1,CHEMBL2336551,6.78
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)cc1,CHEMBL2336550,6.17
+CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL2336573,7.28
+Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1,CHEMBL2336572,6.12
+O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12,CHEMBL2338173,9.82
+O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc21,CHEMBL2338188,6.49
+O=C(N1CCc2ccccc21)C12CC3CC(CC1C3)C2,CHEMBL2338187,6.3
+O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1,CHEMBL2338186,6.57
+Cc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2,CHEMBL2338185,6.22
+O=C(N1CCc2ccc(C(F)(F)F)cc21)C12CC3CC(CC(C3)C1)C2,CHEMBL2338184,5.6
+O=C(N1CCc2cc(F)ccc21)C12CC3CC(CC(C3)C1)C2,CHEMBL2338183,6.7
+Cc1cccc2c1CCN2C(=O)C12CC3CC(CC(C3)C1)C2,CHEMBL2338182,6.77
+CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338181,6.3
+O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2,CHEMBL2338179,6.3
+O=C(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2,CHEMBL2338178,6.34
+CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338177,6.3
+COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338176,6.46
+COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338174,6.11
+O=C(N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2,CHEMBL246952,6.1
+CCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338175,6.0
+O/N=C1C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)/N2CCC/1CC2,CHEMBL2346981,6.97
+O/N=C1C(=C/c2cn(Cc3ccccc3)c3ccccc23)/N2CCC/1CC2,CHEMBL2346980,7.16
+OC1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N2CCC1CC2,CHEMBL391430,6.95
+OC1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2,CHEMBL238083,7.26
+COC(=O)c1ccc2c(/C=C3/C(=O)C4CCN3CC4)cn(Cc3ccccc3)c2c1,CHEMBL2346979,8.6
+COC(=O)c1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3ccccc32)cc1,CHEMBL2346978,6.23
+N#Cc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3ccccc32)cc1,CHEMBL2346977,6.94
+O=C1/C(=C/c2cn(Cc3ccccc3Br)c3ccccc23)N2CCC1CC2,CHEMBL2346668,6.48
+O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N2CCC1CC2,CHEMBL240697,7.69
+O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2,CHEMBL240913,8.88
+O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2,CHEMBL238082,7.93
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1,CHEMBL2347048,4.74
+O=C(NN1CCCCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1,CHEMBL2347045,4.55
+CCCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL2347041,6.34
+CCCCCc1cc(-c2ccccc2)n(-c2ccccc2)n1,CHEMBL2347040,5.53
+CCCCCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL328379,5.51
+CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O,CHEMBL2348280,7.82
+CCCCn1cc(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348271,6.63
+CCCCn1ccc(C)c(Oc2nc3ccccc3o2)c1=S,CHEMBL2348270,6.63
+CCCCn1cccc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348269,6.31
+CCCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348268,6.22
+CCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348267,6.67
+CCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348065,6.56
+CCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348064,5.41
+CCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,CHEMBL2348063,7.0
+CCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=O,CHEMBL2348062,6.01
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(O)ccc21,CHEMBL2348476,6.26
+COc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348475,6.47
+Cc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348474,7.2
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(CO)ccc21,CHEMBL2348473,7.33
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(CO)=CC[C@H]21,CHEMBL2348472,7.85
+CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348471,7.31
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CCO)CC[C@H]21,CHEMBL2348470,6.44
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CC=O)CC[C@H]21,CHEMBL2348469,8.11
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CO)CC[C@H]21,CHEMBL2348468,6.92
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CCO)CC[C@H]21,CHEMBL2348467,7.48
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC=O)CC[C@H]21,CHEMBL2348466,7.95
+CO/C=C\[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348465,7.17
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC#N)CC[C@H]21,CHEMBL2348464,7.0
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CI)CC[C@H]21,CHEMBL2348463,6.58
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21,CHEMBL2348462,7.95
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL2346682,6.17
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2348461,7.39
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](C=O)CC[C@H]21,CHEMBL2348460,8.05
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](C=O)CC[C@H]21,CHEMBL2348459,8.26
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL2348458,6.47
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(-c3ccc(OC)cc3)c12,CHEMBL2381783,6.46
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(-c3ccccc3)c12,CHEMBL2381782,6.74
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)c(Br)c12,CHEMBL2381781,6.66
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)s3)cc12,CHEMBL2381780,7.94
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3cc(C)cs3)cc12,CHEMBL2381779,7.82
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3cccs3)cc12,CHEMBL2381778,8.2
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccoc3)cc12,CHEMBL2381777,8.0
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381674,8.31
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381673,8.18
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12,CHEMBL2381672,8.02
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3c(Cl)cccc3Cl)cc12,CHEMBL2381671,7.01
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381800,7.52
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381799,7.43
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3Cl)cc12,CHEMBL2381798,7.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381797,8.41
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381796,8.2
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)cc12,CHEMBL2381795,7.26
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381794,8.21
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381793,7.99
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3Cl)cc12,CHEMBL2381792,7.33
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381791,8.47
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381790,7.99
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12,CHEMBL2381789,7.24
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2381788,8.54
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2380327,8.05
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3C)cc12,CHEMBL2381787,7.4
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381786,8.59
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381785,7.51
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381784,7.38
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381812,8.31
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381811,8.14
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381810,7.91
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12,CHEMBL2381809,9.08
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381808,8.28
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381807,7.98
+CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12,CHEMBL2381806,6.97
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12,CHEMBL2381805,6.45
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12,CHEMBL2381804,7.9
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381803,7.99
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381802,7.66
+Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL2381801,8.34
+CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21,CHEMBL2380408,7.58
+CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21,CHEMBL2380428,7.96
+CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c21,CHEMBL2380420,9.09
+CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c21,CHEMBL2380418,6.55
+CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21,CHEMBL2380417,7.11
+CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL2380416,8.01
+CCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387186,8.8
+CCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2,CHEMBL2387185,10.0
+CCCCn1c2c(cc(C(=O)NC3CCN(C)CC3)c1=O)CCCCCC2,CHEMBL2387184,6.83
+CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2,CHEMBL2387183,9.7
+CCCCn1c2c(cc(C(=O)NC(C)C)c1=O)CCCCCC2,CHEMBL2387182,8.4
+CCCCn1c2c(cc(C(N)=O)c1=O)CCCCCC2,CHEMBL2387181,7.4
+O=C(NCc1ccccc1)c1cc2c(n(CCCN3CCOCC3)c1=O)CCCCCC2,CHEMBL2387180,6.68
+COCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387179,8.1
+CC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387178,9.05
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2,CHEMBL2387078,8.82
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)COCC2,CHEMBL2387077,6.69
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCC2,CHEMBL2387076,7.77
+CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2,CHEMBL2387075,7.8
+CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O,CHEMBL2387074,7.7
+CCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O,CHEMBL2387073,7.18
+CCCCCc1cc(OC)c2cc(Cc3ccc(Br)cc3)c(=O)oc2c1,CHEMBL2387532,6.24
+CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1,CHEMBL2387530,6.24
+Cc1ccccc1Cc1cc2c(C)c(O)c(C)c(C)c2oc1=O,CHEMBL2387539,5.81
+COc1c(C)c(C)c2oc(=O)c(Cc3ccccc3C)cc2c1C,CHEMBL2387538,6.18
+Cc1c(O)c(C)c2cc(Cc3ccc(F)cc3)c(=O)oc2c1C,CHEMBL2387537,6.35
+COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C,CHEMBL2387536,5.83
+Cc1c(O)c(C)c2cc(Cc3ccccc3)c(=O)oc2c1C,CHEMBL2387535,5.47
+COc1c(C)c(C)c2oc(=O)c(Cc3ccccc3)cc2c1C,CHEMBL2387534,5.75
+COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O,CHEMBL2387533,6.47
+COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O,CHEMBL2387744,6.1
+COc1ccccc1Cc1cc2c(C)ccc(C)c2oc1=O,CHEMBL2387743,5.17
+CCCCCOc1ccccc1-c1cc(C(=O)N(CC(C)C)CC(C)C)no1,CHEMBL2414041,7.57
+CCCCCOc1ccccc1-c1cc(C(=O)NN2CCCCC2)no1,CHEMBL2414034,6.22
+Cc1cc(-c2cc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn2-c2ccccc2)ccc1Cl,CHEMBL2420252,7.03
+Cc1ccc(Cn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL2420251,7.54
+Cc1ccc(Cn2cc(/C=C/[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL2420250,5.91
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL2420249,7.82
+Cc1ccc(Cn2nc(/C=C/[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL2420248,6.28
+O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F,CHEMBL2436766,5.35
+O=C(CC1CCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436762,6.24
+CC(C)CCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436761,6.67
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C1CCCC1,CHEMBL2436760,7.22
+CC(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436759,7.05
+O=C(CC1CCCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436758,5.63
+CCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436757,5.98
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C1CCCCC1,CHEMBL2436756,6.08
+O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)Oc1ccccc1,CHEMBL2436755,4.97
+CCOC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL2436754,6.37
+CCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21,CHEMBL2441263,7.0
+CCCCCn1c2ccccc2c2cc(C(=O)NCC(C)(C)C)ncc21,CHEMBL2441452,7.58
+CCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21,CHEMBL2441475,8.12
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccncc1)N1CCCCC1,CHEMBL2441472,7.04
+COC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441468,6.68
+O=C(c1ccc2c(c1)c1ccccc1n2CC1CCOCC1)N1CCCCC1,CHEMBL2441467,7.7
+COCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441466,7.08
+CS(=O)(=O)NCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441464,7.21
+O=C(OCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21)N1CCS(=O)(=O)CC1,CHEMBL2441463,7.14
+O=C(c1ccc2c(c1)c1ccccc1n2CCCCl)N1CCCCC1,CHEMBL2441459,7.06
+CCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441456,6.58
+CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441454,7.02
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ncc21,CHEMBL2441450,7.45
+CCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21,CHEMBL2441446,6.43
+CCCCCn1c2ccccc2c2cc(C(=S)N3CCCCC3)ccc21,CHEMBL2441445,7.3
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21,CHEMBL2441264,5.96
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21,CHEMBL2441256,7.45
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCOCC3)ccc21,CHEMBL2441255,7.07
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21,CHEMBL2441253,6.65
+CCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21,CHEMBL2441252,7.29
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441251,7.14
+CCOC(=O)CCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21,CHEMBL2441476,5.47
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccccn1)N1CCCCC1,CHEMBL2441474,6.67
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1cccnc1)N1CCCCC1,CHEMBL2441473,6.22
+CC(C)(C)OC(=O)NCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441470,5.57
+CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441469,6.39
+O=C(c1ccc2c(c1)c1ccccc1n2CCCN1CCS(=O)(=O)CC1)N1CCCCC1,CHEMBL2441462,6.6
+O=C(c1ccc2c(c1)c1ccccc1n2CCCN1CCCCC1)N1CCCCC1,CHEMBL2441461,5.66
+O=C(c1ccc2c(c1)c1ccccc1n2CCCl)N1CCCCC1,CHEMBL2441458,6.28
+CCOC(=O)CCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441457,5.88
+CCCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441455,6.08
+CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441453,6.28
+CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21,CHEMBL2441451,6.77
+CCCCCn1c2ccccc2c2cc(C(=O)OCC)ncc21,CHEMBL2441449,5.86
+CCCCCn1c2ccccc2c2cc(CN3CCN(C)CC3)ccc21,CHEMBL2441447,6.13
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21,CHEMBL2441266,6.4
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCS(=O)(=O)CC3)ccc21,CHEMBL2441265,6.3
+CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21,CHEMBL2441262,5.72
+CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccncc3)ccc21,CHEMBL2441261,5.86
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCNCC3)ccc21,CHEMBL2441260,5.55
+CCCCCn1c2ccccc2c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21,CHEMBL2441258,5.44
+CCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21,CHEMBL2441257,6.54
+CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ccc21,CHEMBL2441254,5.79
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn(CC)nc32)C1=O,CHEMBL3086345,5.44
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn(C)nc32)C1=O,CHEMBL3086347,6.17
+CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn[nH]c32)C1=O,CHEMBL3086346,6.87
+CCc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1,CHEMBL3092889,7.5
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C)n(C3CCOCC3)c2n1,CHEMBL3092888,6.98
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C3CC3)n(C3CCOCC3)c2n1,CHEMBL3092887,7.25
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C(F)(F)F)n(C3CCOCC3)c2n1,CHEMBL3092903,7.2
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1,CHEMBL3092901,7.407
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CC2CCOCC2)CC1,CHEMBL3092900,7.28
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1,CHEMBL3092897,7.86
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1,CHEMBL3092896,7.43
+Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCN3CCCC3=O)c2n1,CHEMBL3092895,6.34
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN4C(=O)CCC4C3)nc(C)nc21,CHEMBL3092893,8.28
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(C(C)=O)CC3)nc(C)nc21,CHEMBL3092892,7.69
+COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(CCF)CC3)nc(C)nc21,CHEMBL3092891,8.04
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CCOC)CC1,CHEMBL3092908,7.89
+CCN1CCN(c2nc(C)nc3nc(-c4ccccc4Cl)[nH]c23)CC1,CHEMBL3092906,7.8
+CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C)CC1,CHEMBL3092905,8.07
+O=C(CCCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCF,CHEMBL3093389,6.25
+O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCCF,CHEMBL3093384,5.74
+N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCF)n1,CHEMBL3093383,6.07
+O=C(CCc1nc(-c2ccc(Br)cc2F)no1)Nc1ccc2c(c1)c1ccccc1n2CCF,CHEMBL3093382,6.32
+Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCF)n2)cc1,CHEMBL3093381,6.42
+O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF,CHEMBL3093380,6.54
+O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF,CHEMBL3093379,7.39
+O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCF,CHEMBL3093378,8.24
+O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCO,CHEMBL3093372,6.23
+O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCCCO,CHEMBL3093369,7.02
+O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCO,CHEMBL3093367,6.71
+O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCCO,CHEMBL3093366,7.48
+N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCO)n1,CHEMBL3093365,6.31
+O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCO,CHEMBL3093362,6.0
+O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCO,CHEMBL3093361,5.96
+O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCO,CHEMBL3093360,6.44
+CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104354,7.29
+CCCCOC(=O)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104358,8.2
+CCCCOC(=O)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104356,8.43
+CCCCOC(=O)C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL3104362,8.52
+CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104360,8.77
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)n1,CHEMBL3109761,6.1
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1,CHEMBL3109760,6.06
+O=C(N[C@@H]1CCCC[C@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1,CHEMBL3109759,5.82
+O=C(N[C@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1,CHEMBL3109756,5.58
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1,CHEMBL3109744,5.68
+O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)c(Cl)c2)c1,CHEMBL3109784,5.9
+CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1,CHEMBL2179724,7.742999999999999
+Brc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1,CHEMBL3116301,5.74
+Nc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1,CHEMBL3116300,5.7
+Nc1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1,CHEMBL3116299,5.3
+Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CHEMBL3116298,5.8
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2Cc1ccccc1,CHEMBL3116296,6.4
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1,CHEMBL3116295,6.3
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1,CHEMBL3116294,6.3
+CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21,CHEMBL3116293,5.86
+O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2Cc1cccc2ccccc12,CHEMBL3116292,6.62
+O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1,CHEMBL3116291,6.89
+COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccc([N+](=O)[O-])cc23)cc1,CHEMBL3116290,5.05
+CCCCCn1nc(OCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc21,CHEMBL3116289,6.31
+O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CHEMBL1973869,6.4
+O=[N+]([O-])c1ccc2c(c1)c(OCC1CCCCC1)nn2Cc1ccccc1,CHEMBL3116288,7.05
+CCCCCOc1nn(CCCCC)c2ccc([N+](=O)[O-])cc12,CHEMBL3116287,6.17
+c1ccc2cc(COc3nn(CCN4CCCCC4)c4ccccc34)ccc2c1,CHEMBL3116286,5.7
+c1ccc2c(COc3nn(CCN4CCCCC4)c4ccccc34)cccc2c1,CHEMBL3116284,6.62
+c1ccc2c(COc3nn(CCN4CCCC4)c4ccccc34)cccc2c1,CHEMBL3116283,6.4
+CC(C)N(CCn1nc(OCc2cccc3ccccc23)c2ccccc21)C(C)C,CHEMBL3116282,5.27
+COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1,CHEMBL3116281,6.05
+COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1,CHEMBL3116280,5.11
+c1ccc(COc2nn(Cc3ccccc3)c3ccccc23)cc1,CHEMBL3116279,5.45
+c1ccc2c(c1)c(OCC1CCCCC1)nn2CC1CCCCC1,CHEMBL3116278,5.89
+COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2)cc1,CHEMBL3114181,9.0
+CCCCOc1ncc(Br)cc1C(=O)NC1CCCCCC1,CHEMBL3114348,6.4
+CC1CCC(NC(=O)c2cccnc2OCc2ccccc2)CC1,CHEMBL3114347,6.23
+CC1CCC(NC(=O)c2cccnc2OCc2ccc(F)cc2)CC1,CHEMBL3114346,7.1
+O=C(NC1CCCCCC1)c1cccnc1OCc1ccccc1,CHEMBL3114345,6.32
+CCOC(=O)/C=C/c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1,CHEMBL3114344,7.86
+O=C(NC1CCCCCC1)c1cc(/C=C/c2ccccc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114343,8.1
+O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)cn(CCN2CCOCC2)c1=O,CHEMBL3114342,7.2
+O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114341,8.55
+O=C(NC1CCCCCC1)c1cc(-c2ccccc2)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114182,8.92
+CCCCn1cc(Br)cc(C(=O)NC2CCCCCC2)c1=O,CHEMBL3114180,8.29
+O=C(NC1CCCCCC1)c1cc(Br)cn(CCN2CCOCC2)c1=O,CHEMBL3114179,7.19
+O=C(NC1CCCCCC1)c1cc(Br)cn(Cc2ccc(F)cc2)c1=O,CHEMBL3114178,8.66
+CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O,CHEMBL3114175,6.98
+CCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O,CHEMBL3114174,6.23
+CC1CCC(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1,CHEMBL3114173,7.28
+CC1CCC(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3114172,8.32
+CCOC(=O)CCCn1cccc(C(=O)NC2CCCCCC2)c1=O,CHEMBL3114170,5.74
+O=C(NC1CCCCCC1)c1cccn(Cc2cccc(I)c2)c1=O,CHEMBL3114169,6.4
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(I)cc2)c1=O,CHEMBL3114351,6.73
+O=C(NC1CCCCCC1)c1cccn(Cc2ccc(Cl)cc2)c1=O,CHEMBL3114350,8.38
+O=C(NC1CCCCCC1)c1cccn(Cc2ccccc2)c1=O,CHEMBL3114349,8.1
+CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C,CHEMBL1257246,5.65
+CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1,CHEMBL1258979,5.32
+CC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C,CHEMBL3120631,4.97
+CCOc1ccc(Cc2nc3cc(C(=O)N(C)CC)ccc3n2CCC(C)C)cc1,CHEMBL3127262,8.48
+Cc1ccc(C(=O)Oc2cccc(/C=C3\N=C4SCCCCN4C3=O)c2)cc1,CHEMBL3220943,5.59
+O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N=C2SCCCCN12,CHEMBL3221202,5.81
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCCN12,CHEMBL3221201,5.78
+O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCCN12,CHEMBL3221200,6.01
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCCN12,CHEMBL3221198,5.38
+O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12,CHEMBL3221197,5.74
+O=C1/C(=C/c2ccc(-c3ccccc3)cc2)N=C2SCCCCN12,CHEMBL3221195,5.27
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12,CHEMBL3221190,6.02
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCN12,CHEMBL3221188,5.39
+O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCN12,CHEMBL3221187,5.95
+CN(C)c1ccc(/C=C2\N=C3SCCCN3C2=O)cc1,CHEMBL3221185,4.78
+COc1ccc(/C=C2\N=C3SCCCN3C2=O)c(OC)c1,CHEMBL3221183,5.59
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(OO)C[C@@H]21,CHEMBL3233404,10.49
+CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)O)c1,CHEMBL3234035,8.05
+CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3233405,7.49
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21,CHEMBL456341,6.77
+COc1ccc2c(c1)N(C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]21,CHEMBL3234036,7.27
+CCCCCCC(C)(C)c1cc(OC)c([C@]2(O)CCC[C@@H](C)C2)c(OC)c1,CHEMBL3234037,7.64
+CC1(C)Cc2ccc(C#N)cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1,CHEMBL3234672,9.15
+COc1cccc2c(C(=O)c3ccc(Br)c4ccccc34)c(C)n(CCN3CCOCC3)c12,CHEMBL3234669,8.74
+COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cn(CCN3CCOCC3)c12,CHEMBL3234671,7.96
+COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12,CHEMBL3235057,8.7
+Cn1c(C2(C)CC2)c/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)n1C[C@H]1CCCO1,CHEMBL3234698,7.57
+CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br,CHEMBL3234707,7.38
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccn2)s1,CHEMBL3234699,7.7
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1CN1CC(O)C1,CHEMBL3234700,8.79
+Cc1c2n(c(=O)c3cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c13)CCCC2,CHEMBL3234708,8.17
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCOC(=O)C[C@@H]21,CHEMBL3265175,7.03
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)OC[C@@H]21,CHEMBL3265176,7.28
+CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21,CHEMBL3290053,7.29
+COc1cccc2c(C(=O)N3CCN(C)[C@@H](C)C3)cn(CC3CCCCC3)c12,CHEMBL3347369,8.8
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353423,8.41
+CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353424,8.55
+CC1CCC(NC(=O)c2cc3cccnc3n(CCO)c2=O)CC1,CHEMBL3353425,5.68
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCO)c2=O)CC1,CHEMBL3353426,6.89
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCO)c2=O)CC1,CHEMBL3353427,7.27
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCO)c2=O)CC1,CHEMBL3353428,8.44
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCO)c2=O)CC1,CHEMBL3353429,7.74
+CCOC(=O)CCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353430,6.75
+CCOC(=O)CCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353431,7.2
+COC(=O)CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21,CHEMBL3353432,7.57
+CC1CCC(NC(=O)c2cc3cccnc3n(CCC(=O)O)c2=O)CC1,CHEMBL3353433,5.86
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCC(=O)O)c2=O)CC1,CHEMBL3353434,5.61
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCC(=O)O)c2=O)CC1,CHEMBL3353435,5.87
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1,CHEMBL3353436,8.87
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1,CHEMBL3353437,9.25
+CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1,CHEMBL3353438,8.84
+CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353439,9.74
+C[C@H]1CC[C@H](NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353440,8.95
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353441,9.92
+CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353442,8.9
+COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCC(C)CC2)c(=O)n3Cc2ccc(F)cc2)cc1,CHEMBL3353443,8.42
+CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353444,8.73
+C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353445,7.18
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4cccs4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353446,9.02
+CC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353447,8.66
+CC1CCC(NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353448,9.17
+C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353449,7.03
+C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3353450,9.57
+COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCC(C)CC2)c(=O)n3CCN2CCOCC2)cc1,CHEMBL3353451,8.83
+CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353452,9.77
+CC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353453,9.17
+CC1CCC(NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3353454,9.46
+N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12,CHEMBL3353802,6.45
+O=[N+]([O-])c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12,CHEMBL3353812,6.81
+N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1cccc(Br)c12,CHEMBL3353822,7.65
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CHEMBL3353833,7.96
+Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CHEMBL3353834,6.67
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL3353835,6.54
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)C3CCCC3)c2n1,CHEMBL3353842,6.49
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)C3CCCCC3)c2n1,CHEMBL3354395,7.52
+COC(=O)CCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21,CHEMBL3354396,6.44
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccccc3)c2n1,CHEMBL3354398,6.52
+O=C(c1ccccc1)n1c2ccccc2c2nnc(SCc3ccccc3[N+](=O)[O-])nc21,CHEMBL3354399,6.63
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccc(OC(F)(F)F)cc3)c2n1,CHEMBL3354403,6.42
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccco3)c2n1,CHEMBL3354406,6.31
+N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccno3)c2n1,CHEMBL3354407,6.35
+Cc1c(C(=O)NCCCCNCc2ccc(CNCCCCNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)c3C)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3322470,5.62
+Cc1c(C(=O)NCCCCNCc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3322475,4.9
+Cc1c(C(=O)NCCCCCCCCNCc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3322476,4.51
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNC2CC2)c1,CHEMBL3321780,5.72
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1,CHEMBL3321779,6.08
+C=CCNCCCCCCCCCCCOc1cc(O)cc(CCCCC)c1,CHEMBL3323699,5.73
+CCCCCc1cc(O)cc(OCCCCCCCCCN[C@H](C)CO)c1,CHEMBL3323698,5.82
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCCNC(=O)C1CC1,CHEMBL3323696,6.6
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCNC(=O)C2CC2)c1,CHEMBL3323695,6.19
+CCCCCc1cc(O)cc(OCCCCCCCCCCCNC(=O)C2CC2)c1,CHEMBL3323694,6.34
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN2CCCCC2)c1,CHEMBL3323693,6.17
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN(C)C)c1,CHEMBL3323692,6.74
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccccc2)c1,CHEMBL3323686,6.69
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccccc2)c1,CHEMBL3323685,6.89
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1,CHEMBL3323684,7.55
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1,CHEMBL3323683,7.02
+C=CCNC(=O)CCCCCCCOc1cc(O)cc(C(C)(C)CCCCCC)c1,CHEMBL3323682,8.13
+C=CCNC(=O)CCCCCCCCCCOc1cc(O)cc(CCCCC)c1,CHEMBL3323681,7.79
+CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC(CO)CO,CHEMBL3323679,5.63
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1,CHEMBL3323678,6.64
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC(CO)CO)c1,CHEMBL3323677,6.09
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1,CHEMBL3323676,6.27
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323675,7.67
+CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323674,7.3
+CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323673,7.01
+CCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1,CHEMBL3323672,6.92
+C[C@@H]1CCC2=C(C1)Oc1cc(O)ccc1C2(C)C,CHEMBL3329478,5.38
+CCc1cc2c(cc1O)OC1=C(CC[C@@H](C)C1)C2(C)C,CHEMBL3329479,6.29
+CCCCCc1cc(O)c2c(c1)OC1=C(CC[C@H](C)C1)C2(C)C,CHEMBL3329480,6.74
+CCCCCc1cc(O)c2c(c1)OC1=C(CC[C@@H](C)C1)C2(C)C,CHEMBL3329481,6.33
+Cc1c(O)ccc2c1OC1=C(CC[C@@H](C)C1)C2(C)C,CHEMBL3329482,6.0
+Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1,CHEMBL3329483,6.18
+CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1,CHEMBL3329945,7.77
+CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1,CHEMBL3329946,7.74
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1,CHEMBL2415106,5.39
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1,CHEMBL2413161,4.36
+CCC/C=C/C/C=C/CCC/C=C/C=C/C(=O)NCC(C)CC,CHEMBL3314943,5.92
+CC#CC#CC/C=C\CCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL3314942,4.65
+CCC/C=C\C#C/C=C\C=C\CC/C=C/C=C/C(=O)NCC(C)C,CHEMBL3314941,5.04
+C=C1CCC=CCC[C@@H]2[C@@H]1CC2(C)C,CHEMBL3360190,6.11
+COc1c(C)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3397448,6.915
+COc1c(C)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3397449,7.05
+COc1c(C)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3397450,6.82
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1,CHEMBL3397517,7.22
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3397518,7.05
+COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3397519,7.22
+CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC,CHEMBL3397521,6.84
+CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3397522,7.66
+CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12,CHEMBL3410729,10.06
+CCCCCOc1cc(C(=O)NC2CCc3cc(O)c(O)cc3C2)ccc1OC,CHEMBL3410730,7.74
+CCCCCOc1cc(C(=O)NCCc2ccncc2)ccc1OC,CHEMBL3410810,7.14
+CCCCCOc1ccc(C(=O)NCCc2ccc(O)cc2)cc1OCCCCC,CHEMBL3410811,9.36
+CCCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1SCCCCC,CHEMBL3410812,8.72
+CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC,CHEMBL3410813,10.59
+CCCCCOc1c(OC)ccc2cc(C(=O)N3CCCc4ccccc4C3)c(=O)[nH]c12,CHEMBL3410814,6.93
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12,CHEMBL204387,9.32
+CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12,CHEMBL3410815,9.48
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(OC)c3)c(=O)[nH]c12,CHEMBL3410816,9.01
+CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12,CHEMBL3410817,10.05
+CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12,CHEMBL3410818,10.28
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12,CHEMBL3407534,9.12
+CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n(C)c12,CHEMBL3410819,9.66
+CCCCCSc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC,CHEMBL3410820,8.96
+CCCCCOc1cc(/C=C/C(=O)NCCc2ccncc2)ccc1OC,CHEMBL3410821,7.36
+CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccc(O)cc3)ccc12,CHEMBL3410822,8.43
+CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccncc3)ccc12,CHEMBL3410823,8.08
+CCCCCOc1c(OC)ccc2c1C(=O)N(CCc1ccc(O)cc1)C2=O,CHEMBL3410824,8.14
+CCCCCOc1c(OC)ccc2c1CCN(CCc1ccc(O)cc1)C2=O,CHEMBL3410825,8.74
+CCCCCNc1c(OC)ccc2c1CN(CCc1ccc(O)cc1)C2=O,CHEMBL3410826,10.06
+CCCCCOc1ccc2c(c1OCCCCC)CN(CCc1ccc(N)cc1)C2=O,CHEMBL3410827,9.96
+CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(N)cc1)C2=O,CHEMBL3410828,7.85
+CCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OC,CHEMBL3410829,8.6
+CCCCCOc1c(OC)ccc2cc(C(=O)N3CCCC(C(=O)OCC)C3)c(=O)[nH]c12,CHEMBL3410830,7.0
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12,CHEMBL3410831,9.74
+CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12,CHEMBL3410832,10.68
+CCCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC,CHEMBL3410833,8.32
+CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(O)cc1)C2=O,CHEMBL3410834,7.96
+CCOCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(=O)c2cccc(OC)c21,CHEMBL3409320,9.1
+CCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c21,CHEMBL3409319,6.44
+CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21,CHEMBL3409318,9.15
+COc1cccc2c(=O)c(C(=O)NC(C)(C)C)cn(CCCF)c12,CHEMBL3409317,6.12
+CCCCn1cc(C(=O)NCC2CC2)c(=O)c2cccc(OC)c21,CHEMBL3409152,7.1
+CCCCn1cc(C(=O)NC2CCCC2)c(=O)c2cccc(OC)c21,CHEMBL3409151,7.71
+CCCCn1cc(C(=O)NC(C)(C)C)c(=O)c2cccc(OC)c21,CHEMBL3409150,8.09
+CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21,CHEMBL3409149,8.48
+COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1Cl,CHEMBL3409322,8.41
+CCCCCCC(C)(C)C1=CC2=C(C(=O)C1=O)c1[nH]ncc1C(C)(C)O2,CHEMBL3417564,6.4
+CCCCCCC(C)(C)C1=CC2=C(C(=O)C1=O)c1nn(C)cc1C(C)(C)O2,CHEMBL3417565,6.22
+CCCCCCC(C)(C)C1=CC2=C(C(=O)C1=O)c1c(cnn1CC)C(C)(C)O2,CHEMBL3417566,6.28
+CC1(C)Oc2cc(C34CC5CC(CC(C(N)=O)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416120,6.47
+COC(=O)NC12CC3CC(C1)CC(c1cc(O)c4c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]41)(C3)C2,CHEMBL3416121,8.08
+CC1(C)Oc2cc(C34CC5CC(CC(C#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416122,8.38
+CC1(C)Oc2cc(C34CC5CC(CC(N=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416124,7.88
+CC1(C)Oc2cc(C34CC5CC(CC([N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416125,7.61
+CC1(C)Oc2cc(C34CC5CC(CC(CC#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416126,8.34
+CC1(C)Oc2cc(C34CC5CC(CC(CN=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416128,7.99
+CC1(C)Oc2cc(C34CC5CC(CC(C[N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416129,8.02
+CCCCCn1cc2c(=O)n(CCC34CC5CC(CC(C5)C3)C4)nc-2c2ccccc21,CHEMBL3421700,7.58
+CCCCCn1cc2c(=O)n(CC34CC5CC(CC(C5)C3)C4)nc-2c2ccccc21,CHEMBL3421699,9.41
+CCCCCn1cc2c(=O)n(CCC3CCCCC3)nc-2c2ccccc21,CHEMBL3421698,8.1
+CCCCCn1cc2c(=O)n(CC3CCCCC3)nc-2c2ccccc21,CHEMBL3421697,9.21
+CCCCCn1cc2c(=O)n(CC3CC3)nc-2c2ccccc21,CHEMBL3421696,7.98
+CCCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O,CHEMBL3421695,8.11
+CCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O,CHEMBL3421694,8.37
+CCCCCn1cc2c(=O)n(C3CCCCC3)nc-2c2ccccc21,CHEMBL3421689,7.73
+CCCCCn1cc2c(=O)n(-c3cccc(C(F)(F)F)c3)nc-2c2ccccc21,CHEMBL3421688,7.53
+CCCCCn1cc2c(=O)n(-c3ccccc3)nc-2c2ccccc21,CHEMBL3421686,5.86
+CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCCO)c2=O)CC1,CHEMBL3422793,6.67
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)c(O)c2cccnc21,CHEMBL3422792,7.95
+CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3422791,8.13
+CC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3422790,9.12
+CC1CCC(NC(=O)c2cc3ccccc3n(CCCO)c2=O)CC1,CHEMBL3422789,7.44
+CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422788,8.82
+CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422787,7.7
+CCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21,CHEMBL3422786,7.6
+CC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1,CHEMBL3422785,8.38
+CC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1,CHEMBL3422784,9.12
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)co2)CCOCC1,CHEMBL3581228,7.29
+CC(C)(C)c1cc(-c2csc(C3(N4CCOCC4)CCOCC3)n2)cc(C(C)(C)C)c1O,CHEMBL3581227,6.75
+CC(C)(C)c1cc(-c2csc(C3(N4CCCCC4)CCOCC3)n2)cc(C(C)(C)C)c1O,CHEMBL3581226,7.3
+CCN(CC)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581225,7.11
+CNC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581224,6.84
+CC(C)(C)c1cc(-c2csc(C3(N)CCOCC3)n2)cc(C(C)(C)C)c1O,CHEMBL3581223,5.57
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581222,7.53
+CN(C)Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1,CHEMBL3581221,5.21
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCSCC1,CHEMBL3581220,7.09
+CN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1,CHEMBL3581229,6.9
+CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1,CHEMBL3582029,8.6
+CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1,CHEMBL3582028,6.38
+CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1,CHEMBL3582027,6.58
+COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1,CHEMBL3582026,6.53
+CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1,CHEMBL3582025,6.45
+CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1,CHEMBL3582024,7.79
+CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(-c2ccccc2)o1,CHEMBL3582022,5.4
+CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1,CHEMBL3582021,5.52
+CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF,CHEMBL3582019,6.11
+CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC,CHEMBL3582018,6.75
+COC1CN(c2ccc(C(=O)NCC3(O)CCCCC3)nc2OCC2CC2)C1,CHEMBL3582016,5.54
+COC1CN(c2ccc(C(=O)NC(C)(C)Cc3nnc(-c4ccc(F)cc4)o3)nc2OCC2CC2)C1,CHEMBL3582015,6.33
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCCF,CHEMBL3582011,5.69
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)N1CC(F)C1,CHEMBL3582012,7.74
+COC1CN(c2ccc(C(=O)NC3(CC(N)=O)COC3)nc2OCC2CC2)C1,CHEMBL3582013,5.99
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF,CHEMBL3582010,6.04
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NC,CHEMBL3582009,6.77
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@@H]21,CHEMBL3586111,5.67
+CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2,CHEMBL3586110,6.04
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@]3(C)O[C@H]3[C@@H]21,CHEMBL3586109,6.47
+C=C1CC[C@@H]2[C@H](c3c(O)cc(CCCCC)cc3OC2(C)C)[C@H]1O,CHEMBL3586108,6.89
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]21,CHEMBL3586107,5.48
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)[C@H](O)[C@@H]21,CHEMBL3586106,7.52
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](O)C(C)=C[C@@H]21,CHEMBL3586105,7.06
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@@H]21,CHEMBL3586104,5.49
+O=C(/C=C/C=C/c1ccc2ccccc2c1)NCCO,CHEMBL3596737,5.9
+O=C(/C=C/C=C/c1ccc2ccccc2c1)NC1CC1,CHEMBL3596738,6.09
+CCOC(=O)CNC(=O)/C=C/C=C/c1ccc2c(c1)OCCO2,CHEMBL3596744,5.59
+CCS(=O)(=O)NCCCCCSc1ccc2ccccc2c1,CHEMBL3596755,5.88
+CCNC(=O)NCCCCCSc1ccc2ccccc2c1,CHEMBL3596756,6.25
+COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCC(Cl)Cl,CHEMBL3597331,6.07
+COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl,CHEMBL3597330,5.99
+O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)C1CCCCC1,CHEMBL3605034,5.8
+Cc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605035,6.59
+Cc1cccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)c1,CHEMBL3605036,5.58
+CCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605040,7.43
+CCc1cccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)c1,CHEMBL3605041,5.77
+CCCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605042,7.22
+CC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605043,6.79
+CCCCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605044,6.33
+CC(C)(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1,CHEMBL3605045,5.5
+O=C(c1ccc(Cl)cc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL3605047,6.92
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613097,8.24
+Cc1ccc(Cn2cc(C(=O)NC[C@@H]3CCC4C[C@@H]3C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613101,7.14
+Cc1ccc(Cn2cc(CN[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613098,6.46
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3CC4CC[C@@]3(C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613099,6.79
+Cc1ccc(Cn2cc(C(=O)N[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613104,5.96
+Cc1ccc(Cn2cc(C(=O)N[C@@H](C)C3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613106,6.31
+Cc1ccc(Cn2cc(C(=O)NC3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613107,6.61
+Cc1ccc(Cn2cc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613108,6.97
+Cc1ccc(Cn2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613109,5.77
+Cc1ccc(Cn2cc(C(=O)NN3CCCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613112,6.24
+Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)c3c2-c2ccc(Cl)c(C)c2C3)cc1,CHEMBL3613116,6.46
+Cc1ccc(Cn2nc(C(=O)N[C@@H]3CC4CC[C@@]3(C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL3613117,8.14
+CCCCCCC(C)(C)c1cc(OC)c([C@@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1,CHEMBL3613118,7.95
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccc[n+]2[O-])s1,CHEMBL3686336,6.68
+CC(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686329,9.52
+CCN(CC)Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686328,7.66
+COCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1,CHEMBL3686305,7.35
+CN1C(=O)CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686306,7.21
+CN1CC[C@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686297,7.04
+CC(=O)N1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686338,6.97
+CN(CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)c1ccccc1,CHEMBL3686299,7.85
+CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N/O,CHEMBL3686321,7.92
+Cn1ccnc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686289,7.28
+O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccccc1O,CHEMBL3686341,8.44
+CN1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686313,7.44
+CC(C)(C)c1cn(C[C@@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](N)CO)s1,CHEMBL3686298,8.13
+CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1/sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686304,9.4
+CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686322,8.27
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCCN2)s1,CHEMBL3686284,7.52
+CC(=O)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686326,8.92
+CC(C)(C)CO/C=N/CCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686343,8.31
+CN1C[C@@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686312,8.52
+CN1C[C@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686314,8.7
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccn[nH]2)s1,CHEMBL3686315,7.96
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnccn2)s1,CHEMBL3686290,8.3
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnco2)s1,CHEMBL3686301,7.59
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCCN2)s1,CHEMBL3686334,9.15
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)n2cccc2)s1,CHEMBL3686325,7.47
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2nccs2)s1,CHEMBL3686302,8.26
+CN1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686285,7.48
+CN1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686295,6.69
+C/C(=N/Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)C(F)(F)F,CHEMBL3686330,8.36
+C/C(CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686327,7.07
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCNCCO)s1,CHEMBL3686317,7.47
+Cn1cncc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686320,6.94
+CC(C)(O)CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686339,8.89
+CN1CC[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686296,6.85
+CN1CC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686287,6.68
+CN1CC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686286,7.33
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCN2)s1,CHEMBL3686282,7.82
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCN2)s1,CHEMBL3686281,6.94
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)s1,CHEMBL3686300,8.22
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686294,8.34
+CN1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686335,9.15
+C[C@@H](O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686331,8.96
+CN1CCN(C)[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1,CHEMBL3686337,7.6
+C/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O,CHEMBL3686324,8.74
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2S(C)(=O)=O)s1,CHEMBL3686310,7.8
+CC(C)(C)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686303,8.43
+CC(C)N1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686309,6.99
+CCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686308,8.09
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2)s1,CHEMBL3686307,8.34
+CN1CCC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)CC1,CHEMBL3686288,6.0
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\scc(C(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3686316,6.54
+CN1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686283,8.13
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC/N=C/OC2CCCCO2)s1,CHEMBL3686340,7.6
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)s1,CHEMBL3686292,8.52
+CC(C)(C)c1cn(CC2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ON=C2CCCC2)s1,CHEMBL3686332,9.3
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)s1,CHEMBL3686293,9.3
+CC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686323,9.05
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=S)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686311,8.89
+CN1CCC[C@H]1COc1ccc(C#N)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686318,7.37
+CC(=O)/C(C)=N/Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1,CHEMBL3686333,8.48
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCC[N+]2(C)[O-])s1,CHEMBL3639852,7.62
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccnc2)s1,CHEMBL3686291,7.89
+CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CNCCO2)s1,CHEMBL3686319,7.68
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650079,7.96
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1N/N=C\c1cccc(C)n1,CHEMBL3650080,6.73
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)OC(C)(C)C,CHEMBL3650081,9.49
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650082,7.62
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)C,CHEMBL3650083,9.22
+CCCCn1nc(C2(C)CC2)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650084,7.8
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CC1CC1,CHEMBL3650085,7.27
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCCCO1,CHEMBL3650086,8.77
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1/N=N/C(C)(C)C,CHEMBL3650087,8.21
+CCCCn1/c(=N\C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)cc(C(C)(C)C)n1C,CHEMBL3650088,7.11
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)(C)C,CHEMBL3650089,6.67
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC#N,CHEMBL3650090,8.37
+CC(C)Cn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650091,7.54
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@H]1CCCO1,CHEMBL3650092,8.0
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)=O,CHEMBL3650093,9.0
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CC1CCC1,CHEMBL3650094,7.57
+Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CCC(F)(F)F,CHEMBL3650095,7.17
+CCCCn1ccc(C(C)(C)C)c/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650096,6.89
+COCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650097,7.41
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)C)cc(C(C)(C)C)n1C,CHEMBL3650098,7.8
+CCCCn1cc(C(C)(C)C)cc/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3650099,7.06
+Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(C#N)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650100,6.68
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1ONC(C)(C)C,CHEMBL3650101,8.07
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CC1,CHEMBL3650102,7.8
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC(F)(F)F,CHEMBL3650103,8.74
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCC1,CHEMBL3650104,8.55
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C(C)(C)C,CHEMBL3639489,7.19
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C(C)C,CHEMBL3650105,7.92
+Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(Cl)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1,CHEMBL3650106,7.28
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)C(C)(C)C,CHEMBL3650107,9.22
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1ONC(C)(C)C,CHEMBL3650108,6.9
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ON(C)C,CHEMBL3650109,7.68
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(F)(F)F,CHEMBL3650110,7.28
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCCF,CHEMBL3650111,8.21
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C(C)C,CHEMBL3650112,8.28
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\CC)C(=O)ON,CHEMBL3650113,8.21
+CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CC1CCO1,CHEMBL3650114,7.82
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)=O,CHEMBL3650117,7.74
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC(C)(C)C,CHEMBL3650118,9.0
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccc(F)cc1,CHEMBL3650119,7.68
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNc1ccccn1,CHEMBL3650120,7.49
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(C)N(C)C(=O)OC(C)(C)C,CHEMBL3650121,6.55
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)=N,CHEMBL3650122,7.8
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)CC,CHEMBL3650123,8.29
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NN=C(C)C,CHEMBL3650124,6.61
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)C1CC1,CHEMBL3650125,8.6
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC1=NCCCCC1,CHEMBL3650126,8.8
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C1CCCC1,CHEMBL3650127,8.77
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1,CHEMBL3650128,9.1
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC,CHEMBL3650129,9.15
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)C(C)(C)C,CHEMBL3650130,9.4
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2O/N=C(\C)C(F)(F)F)cc(C(C)(C)C)n1C,CHEMBL3650131,7.92
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccccn1,CHEMBL3650132,7.74
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1,CHEMBL3650133,8.96
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)C(C)(C)C)cc(C(C)(C)C)n1C,CHEMBL3650134,9.4
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2cccnc2)cc(C(C)(C)C)n1C,CHEMBL3650135,8.6
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)c2ccncc2)cc(C(C)(C)C)n1C,CHEMBL3650136,9.15
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(N)=O,CHEMBL3650137,7.33
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNCc1ccccc1,CHEMBL3650138,7.37
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1ccncc1,CHEMBL3650139,7.17
+CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=N)c1cccnc1,CHEMBL3650140,7.06
+CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(/N=C/c1cccc(C)n1)C(=O)OC(C)(C)C,CHEMBL3650141,7.36
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1,CHEMBL3647334,8.8
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)sc2ccncc21,CHEMBL3647321,7.21
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21,CHEMBL3647327,7.12
+C#CCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647329,7.82
+CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC1(O)CCC1,CHEMBL3647310,7.02
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1ccccc1OC[C@@H]1CCCN1C,CHEMBL3647309,6.53
+CCCCn1c(C(=O)OC)c(C(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C,CHEMBL3647336,6.89
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647322,8.17
+CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CCCC(F)(F)F,CHEMBL3647326,8.08
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCN1CCCC1,CHEMBL3647306,7.49
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCN1C,CHEMBL3647308,8.04
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCC1CCOC1,CHEMBL3647307,8.3
+Cc1s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2C)n(CC2CC2)c1C,CHEMBL3647323,7.52
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C#N)ccc1OC1CCC1,CHEMBL3647315,7.02
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ncccc21,CHEMBL3647333,8.85
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](C)O)sc2ccncc21,CHEMBL3647328,8.7
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCC(C)(C)O,CHEMBL3647331,9.09
+CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CC1CCC1,CHEMBL3647325,8.6
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCNC(C)=O)sc2ccncc21,CHEMBL3647324,8.82
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC(N)=O,CHEMBL3647301,8.51
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OC1CC1,CHEMBL3647314,8.0
+C=C=CCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C,CHEMBL3647330,7.77
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC(C)(C)O)sc2ccncc21,CHEMBL3647319,7.46
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCO,CHEMBL3647318,9.14
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1ccco1,CHEMBL3647302,8.13
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC1CCO1,CHEMBL3647303,8.05
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCN1C,CHEMBL3647304,7.41
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O[C@H]1CCN(C)C1,CHEMBL3647312,6.95
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCn1ccnc1,CHEMBL3647305,7.02
+CC(C)(C)c1cn(CCC(F)(F)F)/c(=N/C(=O)c2cc(C#N)ccc2OC2CCC2)s1,CHEMBL3647316,7.28
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Br)ccc1OC[C@@H]1CCCN1C,CHEMBL3647300,7.57
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCN1,CHEMBL3647313,7.36
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2C)sc2ccncc21,CHEMBL3647332,7.47
+CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCN1C,CHEMBL3647311,7.43
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ccncc21,CHEMBL3647320,8.27
+CC(=O)OCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC(C)C,CHEMBL3647317,7.8
+CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ncccc21,CHEMBL3639461,7.82
+CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1,CHEMBL3647335,8.96
+Cc1c(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758491,5.21
+Cc1c(C(=O)NC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759254,5.33
+CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3758753,5.36
+Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758884,5.76
+Cc1c(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759255,5.6
+Cc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758338,5.74
+CCCCC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3759440,5.75
+Cc1c(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3758534,5.98
+Cc1c(C(=O)NC2CCN(C(=O)OC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL3759785,5.71
+CCCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1,CHEMBL3759222,5.81
+C=CCN(CC=C)c1nc2n(CCCCC)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)n2n1,CHEMBL3774820,6.8
+C=CCN(CC=C)c1nc2n(CCCCC)cc(C(=O)NC3CCCCC3)c(=O)n2n1,CHEMBL3775561,5.87
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(N(C)Cc3ccccc3)nc12,CHEMBL3774794,7.68
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(N(C)Cc3ccccc3)nc12,CHEMBL3774887,5.88
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(N3CCN(C)CC3)nc12,CHEMBL3774589,6.01
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(N3CCOCC3)nc12,CHEMBL3775265,7.28
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(N3CCOCC3)nc12,CHEMBL3775054,6.25
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12,CHEMBL3774454,7.33
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(SC)nc12,CHEMBL3774459,6.15
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3cccnc3)nc12,CHEMBL3775089,6.64
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccco3)nc12,CHEMBL3774483,7.35
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(C)cc3)nc12,CHEMBL3774919,8.17
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)nc12,CHEMBL3774721,7.66
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)nc12,CHEMBL3775199,7.51
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(OC)cc3)nc12,CHEMBL3774717,7.33
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(OC)cc3)nc12,CHEMBL3775107,7.02
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(Cl)cc3)nc12,CHEMBL3775267,7.95
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(Cl)cc3)nc12,CHEMBL3774980,6.93
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3774565,8.08
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3775328,7.32
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL3775966,7.37
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)nc12,CHEMBL3774406,6.42
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)nc12,CHEMBL3775313,6.17
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12,CHEMBL3775264,7.6
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2ncnc12,CHEMBL3775571,6.29
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C(C)(C)C)CC3)nc1-2,CHEMBL3781521,5.19
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCCC4)CC3)nc1-2,CHEMBL3780020,6.28
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCO4)CC3)nc1-2,CHEMBL3781437,5.97
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4cccs4)CC3)nc1-2,CHEMBL3781953,7.81
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccccc4)CC3)nc1-2,CHEMBL3779969,5.44
+COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccco4)CC3)nc1-2,CHEMBL3781158,6.16
+COc1ccc2c(c1)OC(C)(C)c1cn(CNC(=O)CN3CCN(c4ccccc4)CC3)nc1-2,CHEMBL3781085,5.8
+COc1ccc2c(c1)OC(C)(C)c1cnn(CNC(=O)CN3CCN(c4ccccc4)CC3)c1-2,CHEMBL3781210,5.31
+O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CCCCC3)ccc1-2,CHEMBL3780680,6.29
+O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2)N1CCCCC1,CHEMBL3780282,6.38
+O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781707,6.7
+O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3780457,6.82
+O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781178,8.4
+CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1Cc1cc(C4CC4)ccc1-3)C2,CHEMBL3780792,7.42
+CC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(C3CC3)ccc1-2,CHEMBL3781252,5.26
+CC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781131,8.22
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CCCCC3)ccc1-2,CHEMBL3781351,6.29
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1cc(C3CC3)ccc12,CHEMBL3780775,6.08
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(C3CC3)ccc1-2,CHEMBL3781726,6.84
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2,CHEMBL3781781,7.16
+C=CCc1ccc(OCCCC)c(-c2ccc(OCCCC)c(CC=C)c2)c1,CHEMBL3797904,5.75
+C=CCc1ccc(O)c(-c2ccc(OCCCC)c(CC=C)c2)c1,CHEMBL3799723,6.99
+C=CCc1ccc(OC)c(-c2ccc(OC)c(CC=C)c2)c1,CHEMBL89828,5.86
+COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3797248,5.57
+COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3798474,5.32
+COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3798776,6.23
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3797787,6.47
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3799406,5.96
+COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1,CHEMBL3798133,6.58
+COc1ccc(-c2cc(Cc3ccc(F)cc3)c(OC)c(C(=O)N[C@H]3CC[C@@H](C)CC3)c2)cc1,CHEMBL3799538,6.71
+COc1ccc(-c2cc(Cc3ccc(F)cc3)c(OC)c(C(=O)N[C@H]3CC[C@H](C)CC3)c2)cc1,CHEMBL3797983,6.09
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1,CHEMBL3799040,5.96
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1,CHEMBL3797270,5.58
+COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1,CHEMBL3799936,7.08
+CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3798087,5.85
+CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC,CHEMBL3798374,5.75
+CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c1OC,CHEMBL3799151,6.78
+CCCCc1cc(-c2ccccc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC,CHEMBL3800192,5.9
+CCCCc1cc(-c2ccccc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC,CHEMBL3800638,5.62
+CCCCc1cc(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c1OC,CHEMBL3798158,6.45
diff --git a/chembl_200/CHEMBL255.csv b/chembl_200/CHEMBL255.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7787f875e967480e4f35d2707c0f353ce1c6324f
--- /dev/null
+++ b/chembl_200/CHEMBL255.csv
@@ -0,0 +1,1422 @@
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,8.86
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL16908,6.33
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)nc2n(CC)c1=O,CHEMBL16866,8.75
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,8.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,7.4
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,6.85
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17202,8.44
+O=C(O)COc1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL417812,5.75
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL444281,8.43
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,8.625
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,8.67
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)nc2n(CCC)c1=O,CHEMBL16984,7.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275360,8.11
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,7.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,8.31
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,7.22
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL16677,8.825
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,8.65
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCCCC2)c(=O)n3CC2CCCCC2)cc1,CHEMBL17103,6.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,8.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,8.41
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,8.67
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,7.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,8.595
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275606,8.27
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16931,7.79
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,7.32
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)nc2n(CCC)c1=O,CHEMBL27043,7.635
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL27081,8.01
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,8.01
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17167,8.48
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)nc2n(CC)c1=O,CHEMBL17141,7.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC(c4ccccc4)c4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL17299,7.47
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL432664,8.725
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(C(F)(F)F)cc3)nn12,CHEMBL123705,8.22
+Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL62350,6.38
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3O)nc2n(CCC)c1=O,CHEMBL156863,7.68
+CCCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL39986,6.44
+O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1,CHEMBL67949,6.39
+CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3OC)nc2n(CCC)c1=O,CHEMBL290643,5.19
+CC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL419617,4.68
+CCCCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL68278,6.38
+CCCCCCn1c(=O)c2[nH]cnc2n(CCCCCC)c1=O,CHEMBL68660,5.12
+CCCn1c(=O)c2[nH]c(-c3c(F)cccc3F)nc2n(CCC)c1=O,CHEMBL308660,6.51
+CCn1c(=O)c2[nH]cnc2n(CC)c1=O,CHEMBL416013,5.75
+C#CCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL304455,6.29
+Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67313,5.63
+Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O,CHEMBL24759,4.71
+Cn1c(=O)c2c(ncn2CC#N)n(C)c1=O,CHEMBL66058,4.84
+CCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL24107,5.79
+CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL25373,4.63
+Cn1cnc2c1c(=O)n(CC#N)c(=O)n2C,CHEMBL307326,4.67
+Cn1c(=O)c2[nH]c(-c3cccc(C(=O)O)c3)nc2n(C)c1=O,CHEMBL273953,5.26
+CCCn1c(=O)c2[nH]cnc2n(CCC)c1=O,CHEMBL157655,5.95
+CCCn1c(=O)c2[nH]c(-c3cccc(O)c3O)nc2n(CCC)c1=O,CHEMBL36740,6.9
+C#CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL67415,6.26
+O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1,CHEMBL302344,6.02
+Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O,CHEMBL67323,5.25
+C#CCn1c(=O)n(C)c(=O)c2c1ncn2C,CHEMBL302725,5.02
+CCCn1c(=O)c2[nH]c(-c3cc(O)ccc3O)nc2n(CCC)c1=O,CHEMBL36867,6.86
+CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O,CHEMBL307105,6.16
+Cn1c(=O)c2[nH]c(-c3ccccc3C(=O)O)nc2n(C)c1=O,CHEMBL11146,4.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3O)nc2n(CCC)c1=O,CHEMBL350469,7.33
+CC(C)CCn1c(=O)c2[nH]cnc2n(CC(C)C)c1=O,CHEMBL20613,5.2
+CCCn1c(=O)c2[nH]c(-c3cc(O)c(OC)c(O)c3)nc2n(CCC)c1=O,CHEMBL69701,7.23
+C#CCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL24049,5.02
+Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,CHEMBL70246,4.56
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL66610,4.94
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O,CHEMBL67110,6.51
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,5.295
+C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL10873,7.43
+CCCn1c(=O)[nH]c2nc(C3CCCC3)[nH]c2c1=O,CHEMBL37243,7.465
+C=CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL66899,6.34
+Cn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2n(C)c1=O,CHEMBL304356,4.81
+Cn1c(=O)c2c(ncn2CCO)n(C)c1=O,CHEMBL699,4.76
+Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2C,CHEMBL67109,4.63
+CN(C)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL11332,6.54
+CCCn1c(=O)c2[nH]c(-c3cnccn3)nc2n(CCC)c1=O,CHEMBL157836,7.1
+CC(C)n1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL26119,5.31
+Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O,CHEMBL23903,5.86
+Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O,CHEMBL67060,4.82
+COCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL304319,4.85
+C=CCn1c(=O)c2[nH]cnc2n(CC=C)c1=O,CHEMBL286785,5.88
+CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL628,5.29
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O,CHEMBL8488,5.88
+CC(=O)OCCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL308464,5.06
+CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC)c1=O,CHEMBL11348,7.21
+CC(C)CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC(C)C)c1=O,CHEMBL20402,5.0
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL66337,7.44
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67228,6.19
+Cn1c(=O)c2c(ncn2CCN)n(C)c1=O,CHEMBL66011,4.63
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL63944,4.99
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL11635,6.4
+C=CCn1c(=O)c2c(ncn2C)n(CC=C)c1=O,CHEMBL26406,5.47
+Cn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(C)c1=O,CHEMBL27047,7.22
+Cn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O,CHEMBL416884,5.16
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3O)nc2n(CCC)c1=O,CHEMBL156178,6.73
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O,CHEMBL158507,7.72
+C=CCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL24289,5.02
+CCCCn1c(=O)c2[nH]cnc2n(CC)c1=O,CHEMBL66881,5.76
+C#CCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL282038,5.38
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL289903,7.92
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccccc4)nn3C)nc2n(CCC)c1=O,CHEMBL32481,7.46
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL32281,7.47
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(=O)O)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL431703,7.44
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL287529,7.7
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32225,7.55
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32770,7.3
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL33305,7.92
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(c5ccccc5)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL33455,7.87
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)nc2n(CCC)c1=O,CHEMBL32591,7.74
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL408186,7.42
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL33695,7.72
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL286838,7.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)nc2n(CCC)c1=O,CHEMBL444787,6.97
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)nc2n(CCC)c1=O,CHEMBL260331,8.26
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32802,7.8
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL284615,7.49
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)c(C)c4)nn3C)nc2n(CCC)c1=O,CHEMBL33491,8.0
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)no3)nc2n(CCC)c1=O,CHEMBL32582,7.33
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL285900,7.25
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32229,7.89
+C=CCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(c5ccccc5)CC4)nn3C)nc2n(CC=C)c1=O,CHEMBL2113342,7.62
+Cn1nc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1N,CHEMBL32098,6.76
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(F)c(F)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32950,7.11
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)nc2n(CCC)c1=O,CHEMBL432273,7.02
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(C)CC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32118,7.13
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4cccc(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL290105,7.05
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)nc2n(CC(C)C)c1=O,CHEMBL33591,6.68
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C)cn4)nn3C)nc2n(CCC)c1=O,CHEMBL433235,5.99
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)no3)nc2n(CCC)c1=O,CHEMBL289002,7.29
+Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL32750,6.24
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)nc2n(CCC)c1=O,CHEMBL32598,8.05
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32478,6.89
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)nc2n(CC(C)C)c1=O,CHEMBL32534,6.88
+CCCn1c(=O)c2[nH]c(-c3cc(N)n(C)n3)nc2n(CCC)c1=O,CHEMBL33709,7.24
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(O)c(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL417312,6.47
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Nc4cccc(OC)c4)cc3)nc2n(CCC)c1=O,CHEMBL32581,7.24
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)nc2n(CC(C)C)c1=O,CHEMBL32697,6.52
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL2112067,7.03
+CCCn1c(=O)c2[nH]c(-c3cc(N)nn3C)nc2n(CCC)c1=O,CHEMBL33602,6.63
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL32447,6.19
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(OC)c4)nn3C)nc2n(CCC)c1=O,CHEMBL445056,7.02
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)nc2n(CCC)c1=O,CHEMBL2112066,6.73
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL33930,7.26
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL34097,6.95
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4cccc(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32552,7.41
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)nn3C)nc2n(CCC)c1=O,CHEMBL287493,7.11
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32288,7.07
+CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CC(C)C)c1=O,CHEMBL33653,7.18
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL34281,7.07
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)nn3C)nc2n(CCC)c1=O,CHEMBL32388,7.07
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nc2n(CCC)c1=O,CHEMBL32751,6.96
+CCCn1c(=O)c2c(nc(-c3ccc(N)cc3)n2C)n(CCC)c1=O,CHEMBL32814,6.29
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(Cl)c4)nn3C)nc2n(CCC)c1=O,CHEMBL32425,6.8
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL285151,5.79
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32150,7.0
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4ccc(OC)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL286102,7.09
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccncc4)nn3C)nc2n(CCC)c1=O,CHEMBL286420,7.39
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)CCCN)nn3C)nc2n(CCC)c1=O,CHEMBL555577,5.69
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(O)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32757,6.99
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL286212,7.05
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(OC)cc4)no3)nc2n(CCC)c1=O,CHEMBL32359,7.28
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)no3)nc2n(CCC)c1=O,CHEMBL284789,7.15
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Nc4ccc(N(C)C)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32311,7.23
+CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(F)cc4)nn3C)nc2n(CCC)c1=O,CHEMBL32289,7.06
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8495,7.89
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8810,7.64
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(CCC)c1=O,CHEMBL266099,7.37
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL412854,7.59
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL418333,6.6
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL8732,8.27
+CCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL274855,8.33
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL268617,7.15
+CCCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL8789,7.93
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL275987,7.27
+CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL277041,4.975
+CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL280888,7.16
+COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL283319,7.59
+CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL20888,7.265
+CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1,CHEMBL21541,7.69
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1,CHEMBL20445,7.51
+CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL20555,7.535
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL281129,7.99
+CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL439447,6.74
+COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL22113,7.62
+COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL21910,7.35
+CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL21572,7.52
+CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL22085,7.19
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL329791,6.58
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL330286,6.52
+CCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL302765,5.687
+CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL65271,6.61
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,4.39
+Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL49935,4.33
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,4.92
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL307199,5.3
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL66393,5.45
+CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167915,7.28
+CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL355415,6.52
+Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL354161,6.74
+CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165910,6.65
+Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165224,6.85
+COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL144979,7.66
+CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL138332,7.24
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL423934,7.15
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL349019,6.94
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349954,6.89
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165620,6.87
+CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL141154,6.82
+Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL167753,6.89
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164509,6.87
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL349611,6.9
+CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348975,6.88
+CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349464,6.84
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350205,6.82
+CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164325,6.82
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL165560,6.78
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL166684,6.79
+CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165778,6.79
+CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL350261,6.76
+Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL348925,6.74
+CCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1,CHEMBL164647,6.71
+CCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165044,6.63
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572765,6.65
+CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164381,6.67
+COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL351211,6.65
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL168018,6.62
+CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164685,6.61
+COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1,CHEMBL164992,6.6
+Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164686,6.54
+Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL351285,6.52
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL353299,7.51
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL352707,7.47
+CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165600,6.53
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL164275,7.4
+CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL351075,7.34
+CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165083,7.32
+CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL166301,7.28
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL349240,7.3
+CCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL350042,7.21
+CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164905,7.12
+CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL352192,7.11
+CCCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL349716,7.11
+CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352796,7.06
+CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL352345,7.01
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL424161,7.06
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350830,6.92
+Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL164281,7.0
+CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL163968,7.0
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL141550,7.52
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL341376,6.78
+CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL165073,6.79
+Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344501,6.69
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL324735,6.65
+CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL352073,7.07
+Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1,CHEMBL118923,6.65
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL132806,7.51
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL336217,7.55
+O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL134566,7.46
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL435022,7.6
+O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL138593,7.6
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL16867,8.295
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL335950,7.7
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL541455,7.46
+O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL341777,7.66
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL135719,7.52
+CCCCn1c(=O)[nH]c2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1=O,CHEMBL35094,7.62
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)[nH]c2c1=O,CHEMBL37875,8.26
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)OC)cc3)[nH]c2c1=O,CHEMBL284288,8.43
+CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL35415,7.38
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2c1=O,CHEMBL289516,7.59
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37621,6.43
+CCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL35701,8.36
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37082,7.97
+Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL284991,6.28
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)[nH]c2c1=O,CHEMBL37726,8.92
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL416417,8.92
+CCCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL34762,8.57
+CCCn1c(=O)c2[nH]c(-c3ccc(Br)cc3)nc2n(CCC)c1=O,CHEMBL40055,8.42
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL38304,8.89
+O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1,CHEMBL285191,6.09
+CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O,CHEMBL2113345,7.82
+CCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL287129,7.72
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2c1=O,CHEMBL288459,8.0
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL416963,8.54
+C#CCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL286527,8.17
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCC)CC4)cc3)[nH]c2c1=O,CHEMBL37933,8.21
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL34543,7.83
+CCCn1c(=O)[nH]c2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2c1=O,CHEMBL286350,7.89
+CCCn1c(=O)c2[nH]c(-c3ccc(I)cc3)nc2n(CCC)c1=O,CHEMBL36963,8.6
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2c1=O,CHEMBL38193,8.28
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c2c1=O,CHEMBL37987,7.84
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)[nH]c2c1=O,CHEMBL37050,8.19
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCCC)cc3)nn12,CHEMBL333860,7.68
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(N(C)C)cc3)nn12,CHEMBL123462,5.18
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OC)cc3)nn12,CHEMBL331111,5.99
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCC)cc3)nn12,CHEMBL122819,6.08
+COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL357663,5.77
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL341852,5.73
+C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL304726,5.69
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL342906,6.65
+COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL145767,6.46
+CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL414620,6.4
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,7.41
+Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL423542,7.31
+Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12,CHEMBL146658,5.37
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,7.28
+CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL344724,6.35
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,7.29
+COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL358735,7.27
+COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL142926,7.24
+CC(C)CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL359044,7.21
+CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL137879,7.19
+O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL142562,7.15
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,8.04
+COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL422820,7.09
+CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL342500,7.09
+COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL139182,6.1
+CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL145623,7.92
+Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL342059,7.05
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL137950,7.05
+Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL144972,5.95
+COc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12,CHEMBL70880,5.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL178172,6.67
+Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl,CHEMBL189192,4.55
+O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL363807,4.73
+CCCn1c(=O)c2[nH]c(C3=CC(C)(C)N([O])C3(C)C)nc2n(CCC)c1=O,CHEMBL607302,5.51
+CCCc1c(O)c2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2[nH]c1=O,CHEMBL607025,7.32
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)[nH]c2c1=O,CHEMBL2112962,8.28
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL186113,5.89
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360646,5.57
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL361925,5.65
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL368880,5.93
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360837,6.2
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL186403,5.44
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL2096798,5.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)nc2n(CCC)c1=O,CHEMBL361826,6.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL178662,6.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C#N)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL181925,6.68
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5C)no4)cc3)nc2n(CCC)c1=O,CHEMBL181400,5.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL180559,6.28
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5OC)no4)cc3)nc2n(CCC)c1=O,CHEMBL181005,6.25
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(OC)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL263494,5.77
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(OC)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL182259,5.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL181062,5.44
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5F)n4)cc3)nc2n(CCC)c1=O,CHEMBL181346,6.19
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(F)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL362268,6.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5cccc(C(F)(F)F)c5)n4)cc3)nc2n(CCC)c1=O,CHEMBL360366,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5Cl)no4)cc3)nc2n(CCC)c1=O,CHEMBL179932,5.74
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL368442,7.38
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(Cl)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL180832,5.29
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(F)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL181468,5.84
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5C(F)(F)F)no4)cc3)nc2n(CCC)c1=O,CHEMBL183183,6.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5cccc(C(F)(F)F)c5)no4)cc3)nc2n(CCC)c1=O,CHEMBL181067,6.02
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL360280,6.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C#N)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL434334,5.34
+C=c1ccccc1=C1NC(COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)=NO1,CHEMBL181873,6.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5cccc(C)c5)n4)cc3)nc2n(CCC)c1=O,CHEMBL367351,6.15
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL180236,7.04
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5cccc(OC)c5)n4)cc3)nc2n(CCC)c1=O,CHEMBL180693,7.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccc(OC)cc5)n4)cc3)nc2n(CCC)c1=O,CHEMBL183915,6.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5Cl)n4)cc3)nc2n(CCC)c1=O,CHEMBL179935,5.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5cccc(Cl)c5)n4)cc3)nc2n(CCC)c1=O,CHEMBL180588,5.68
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)nc3)nc2n(CCC)c1=O,CHEMBL199249,8.32
+CCCn1c(=O)c2[nH]c(-c3ccc(=O)[nH]c3)nc2n(CCC)c1=O,CHEMBL199196,8.31
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)O)no3)nc2n(CCC)c1=O,CHEMBL198326,7.74
+CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL197669,6.45
+CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL196258,6.82
+Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21,CHEMBL196259,5.63
+CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL198942,7.74
+Cn1c(-n2nccn2)nc2c(N)nccc21,CHEMBL198200,6.29
+Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1,CHEMBL197682,6.85
+O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1,CHEMBL68500,8.42
+CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL200780,7.66
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5OC)on4)c3)nc2n(CCC)c1=O,CHEMBL200509,6.71
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(OC)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL371649,7.2
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5cccc(OC)c5)on4)c3)nc2n(CCC)c1=O,CHEMBL200747,6.88
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5C(F)(F)F)on4)c3)nc2n(CCC)c1=O,CHEMBL200739,6.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5cccc(Cl)c5)on4)c3)nc2n(CCC)c1=O,CHEMBL200417,6.79
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL200451,7.32
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL427016,7.09
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5Cl)on4)c3)nc2n(CCC)c1=O,CHEMBL200154,6.95
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O,CHEMBL252245,7.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5OC)n4)c3)nc2n(CCC)c1=O,CHEMBL372951,7.08
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(OC)c5)n4)c3)nc2n(CCC)c1=O,CHEMBL370860,6.87
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(OC)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL200230,6.91
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5C(F)(F)F)n4)c3)nc2n(CCC)c1=O,CHEMBL199692,7.0
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(C(F)(F)F)c5)n4)c3)nc2n(CCC)c1=O,CHEMBL382929,7.19
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(Cl)c5)n4)c3)nc2n(CCC)c1=O,CHEMBL200146,6.87
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL372086,7.68
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C#N)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL199895,7.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)nc2n(CCC)c1=O,CHEMBL380821,7.41
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)nc2n(CCC)c1=O,CHEMBL199732,7.42
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O,CHEMBL252045,7.68
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(C)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL200350,6.89
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200349,7.27
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(OC)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL371676,7.09
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(OC)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL371731,6.97
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5OC)no4)c3)nc2n(CCC)c1=O,CHEMBL200278,7.09
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5C(F)(F)F)no4)c3)nc2n(CCC)c1=O,CHEMBL200313,7.13
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL199471,7.38
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(Cl)c5)no4)c3)nc2n(CCC)c1=O,CHEMBL370380,7.49
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C#N)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL199908,7.74
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL199309,7.26
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CCC)c1=O,CHEMBL372084,7.68
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)nc2n(CCC)c1=O,CHEMBL200779,9.0
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5Cl)no4)c3)nc2n(CCC)c1=O,CHEMBL200370,7.72
+COc1cc(OCC(=O)O)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201330,5.81
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1,CHEMBL439684,5.66
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(C#N)cc1,CHEMBL201585,6.67
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201145,8.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL200011,6.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL381473,6.85
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201447,7.04
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL203359,7.08
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL380901,7.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201024,7.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201679,7.22
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199722,7.22
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199898,7.25
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199834,7.28
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199327,7.43
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C5=NC(C)(C)CO5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL198294,7.46
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199399,7.46
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL370629,7.47
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL199326,7.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL425395,7.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201791,7.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Br)c2n(CCC)c1=O,CHEMBL203030,7.61
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201321,7.61
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL203148,7.64
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL198403,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381522,7.71
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4O)cc3)cc2n(CCC)c1=O,CHEMBL383321,7.72
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201054,7.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201042,7.76
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199583,7.79
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2n(CCC)c1=O,CHEMBL199999,7.85
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(NC(C)=O)cc4)cc3)cc2n(CCC)c1=O,CHEMBL200967,7.86
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Br)c2n(CCC)c1=O,CHEMBL202359,7.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NCCc5ccc(OC)cc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL377434,7.91
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL202358,7.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC#N)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381540,7.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL198338,8.01
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL202665,8.03
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OCc5ccccc5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL377485,8.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201128,8.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL201157,8.1
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201749,8.1
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201008,8.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201493,8.22
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O,CHEMBL202767,8.29
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL202766,8.29
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL381091,8.32
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201281,8.48
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL380847,8.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O,CHEMBL382764,8.5
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CCN)cc4)cc3)cc2n(C)c1=O,CHEMBL200105,6.73
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccccc1,CHEMBL199354,6.83
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(F)cc1,CHEMBL199353,6.84
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc2n(C)c1=O,CHEMBL201745,7.1
+COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL426660,7.16
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(Br)cc1,CHEMBL201243,7.41
+COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL199485,7.6
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O,CHEMBL199884,7.65
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL201721,7.96
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O,CHEMBL381214,8.16
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1,CHEMBL199611,8.32
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(F)cc1,CHEMBL199486,8.41
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O,CHEMBL382135,8.42
+CC(=O)c1ccc(NC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1,CHEMBL439868,8.45
+COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201750,8.46
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL199446,8.52
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O,CHEMBL370378,8.58
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1,CHEMBL370588,8.81
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc21,CHEMBL438071,6.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(C)c1=O,CHEMBL202980,6.88
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21,CHEMBL380481,7.67
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21,CHEMBL201554,7.86
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(CC)c1=O,CHEMBL201496,7.87
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL203088,7.91
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(C)c1=O,CHEMBL383638,7.93
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21,CHEMBL381538,8.02
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CC)c1=O,CHEMBL203413,8.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(C)c1=O,CHEMBL200052,8.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL201127,8.25
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O,CHEMBL372148,8.28
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)Nc1ccccc1,CHEMBL199862,8.33
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)NCc1ccc(Cl)cc1,CHEMBL382234,6.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201006,6.76
+COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201580,6.91
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL197605,7.08
+COc1cccc(CNC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)c1,CHEMBL199826,7.29
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL199688,7.29
+CCN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL202876,7.37
+CC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1,CHEMBL202828,7.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O,CHEMBL201109,7.69
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL201323,7.77
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O,CHEMBL203305,8.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)NCc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201028,8.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL201773,8.5
+Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccccc4)c3)cc2n(C)c1=O,CHEMBL199330,6.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O,CHEMBL199280,7.0
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccco4)cc3)cc2n(C)c1=O,CHEMBL201796,7.15
+Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)cc2n(C)c1=O,CHEMBL382663,7.35
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccncc4)cc3)cc2n(CCC)c1=O,CHEMBL201895,7.55
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)cc2n(CCC)c1=O,CHEMBL424671,7.57
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)nc(=O)n(C)c4O)cc3)cc2n(CCC)c1=O,CHEMBL201026,7.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ncccc4O)cc3)cc2n(CCC)c1=O,CHEMBL201329,7.68
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)cc2n(C)c1=O,CHEMBL203043,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)n4ccc(N)n4)cc3)cc2n(CCC)c1=O,CHEMBL370205,7.77
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nncs4)cc3)cc2n(C)c1=O,CHEMBL378815,7.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cn4)cc3)cc2n(CCC)c1=O,CHEMBL201595,7.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O,CHEMBL201594,7.96
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O,CHEMBL379688,7.97
+CCCn1c(=O)c2[nH]c(-c3ccc(N(C=O)CC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201293,8.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(C)c1=O,CHEMBL203037,8.5
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC,CHEMBL200012,5.82
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3CCCOC)cc1,CHEMBL199664,6.43
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL201548,6.54
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O,CHEMBL201547,6.57
+COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,CHEMBL201133,6.67
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Cl)c2n(CCC)c1=O,CHEMBL201523,6.8
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,CHEMBL382413,6.91
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O,CHEMBL201108,7.1
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O,CHEMBL198191,7.14
+CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(CC)c(=O)n3CCCOC)cc1,CHEMBL201650,7.18
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,CHEMBL198243,7.34
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)O)cc3)cc2n(CCC)c1=O,CHEMBL199697,7.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,CHEMBL198345,7.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O,CHEMBL200112,7.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL201022,5.23
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201239,8.16
+CN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL203196,7.26
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205768,4.58
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,5.69
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O,CHEMBL381972,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@@H]1O,CHEMBL205850,5.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL378810,5.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(OC)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL383836,5.9
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O,CHEMBL205327,5.41
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL204527,5.72
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL204526,5.05
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL208160,5.1
+CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL376968,5.07
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@H](C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL381108,4.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL208311,4.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL439335,4.67
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL205531,5.26
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CCC)c1=O,CHEMBL380176,8.05
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209831,6.51
+CCCn1c(=O)c2[nH]c(-c3ccnn3-c3ccccc3)nc2n(CCC)c1=O,CHEMBL210738,5.96
+CCCn1c(=O)c2[nH]c(-c3cc(C)nn3CC)nc2n(CCC)c1=O,CHEMBL379838,5.68
+CCCn1c(=O)c2[nH]c(-c3cc(C)nn3C)nc2n(CCC)c1=O,CHEMBL210389,5.43
+CCCn1c(=O)c2[nH]c(-c3cnn(CCCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL210319,7.0
+CCCn1c(=O)c2[nH]c(-c3cnn(CCc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL209217,7.13
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL254725,7.96
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL208920,6.52
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC(C)C)c1=O,CHEMBL378743,6.0
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC(C)C)c1=O,CHEMBL441530,5.9
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCCC)c1=O,CHEMBL383201,6.01
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL210808,7.89
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL426504,8.3
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL210271,7.72
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL208824,9.0
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL261722,7.57
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL437301,5.64
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4c(F)cc(F)cc4F)c3)nc2n(CCC)c1=O,CHEMBL378020,6.19
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)cc(Cl)c4F)c3)nc2n(CCC)c1=O,CHEMBL210614,6.44
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378598,7.66
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(F)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL208143,5.32
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL209174,7.54
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(OC)c(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL211038,6.39
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL208723,6.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(Cl)c(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL210565,6.7
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)c(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL210482,6.19
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4F)c3)nc2n(CCC)c1=O,CHEMBL210609,7.36
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4F)c3)nc2n(CCC)c1=O,CHEMBL210213,7.24
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)c(F)c4)c3)nc2n(CCC)c1=O,CHEMBL210212,7.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4c(F)cccc4F)c3)nc2n(CCC)c1=O,CHEMBL210890,6.41
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)cc4F)c3)nc2n(CCC)c1=O,CHEMBL379032,6.15
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4F)c3)nc2n(CCC)c1=O,CHEMBL207482,6.62
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O,CHEMBL207434,7.7
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL251870,7.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)nc2n(CCC)c1=O,CHEMBL208110,7.43
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(F)cc4)c3)nc2n(CCC)c1=O,CHEMBL379474,7.66
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O,CHEMBL251869,7.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4F)c3)nc2n(CCC)c1=O,CHEMBL210649,7.55
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(Cl)cc4)c3)nc2n(CCC)c1=O,CHEMBL380284,7.74
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4)c3)nc2n(CCC)c1=O,CHEMBL210938,7.74
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL378652,7.7
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(OC)cc4)c3)nc2n(CCC)c1=O,CHEMBL210683,7.43
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(OC)c4)c3)nc2n(CCC)c1=O,CHEMBL210150,7.47
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4OC)c3)nc2n(CCC)c1=O,CHEMBL380219,7.43
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C)cc4)c3)nc2n(CCC)c1=O,CHEMBL207524,7.4
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4)c3)nc2n(CCC)c1=O,CHEMBL378570,7.44
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C)c3)nc2n(CCC)c1=O,CHEMBL210747,7.48
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)nc2n(C)c1=O,CHEMBL213878,6.81
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCO)cc3)nc2n(C)c1=O,CHEMBL377106,6.6
+CCCCNS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL208550,6.91
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,8.35
+CC(C)NS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL212626,6.99
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL212625,8.55
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209366,7.5
+CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3[nH]c(=O)n(CCC)c(=O)c3[nH]2)cc1,CHEMBL377246,7.27
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2c1=O,CHEMBL212217,7.0
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL378102,7.57
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL211521,8.44
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209230,8.38
+CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL414157,7.05
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL216200,5.51
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL217268,5.72
+CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL218458,6.37
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216269,5.7
+CCCN1C(=O)N2C[C@@H](C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL384279,5.66
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL450341,6.24
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)N(C)CC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL384705,6.53
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL424908,6.68
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL384257,6.3
+CCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCC)c1=O,CHEMBL385372,6.53
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,6.21
+CCCn1c(=O)c2[nH]c(C34CCC(/C=C/C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217076,7.0
+CCCn1c(=O)c2[nH]c(C34CCC(CCCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL264070,6.9
+CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221486,6.52
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCCC4)[nH]c3n2)cc1,CHEMBL219160,6.52
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1,CHEMBL219625,6.52
+CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL385109,6.52
+CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221343,6.52
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,7.77
+O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1,CHEMBL225982,6.92
+Cn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O,CHEMBL438306,7.55
+O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1,CHEMBL226238,7.8
+[O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL390600,7.47
+N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL226237,7.16
+COc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1,CHEMBL226236,7.41
+COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1,CHEMBL389040,6.94
+c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1,CHEMBL226188,6.94
+c1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1,CHEMBL225972,7.62
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL239864,5.0
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O,CHEMBL391718,5.0
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O,CHEMBL239233,6.23
+Cn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(C)c1=O,CHEMBL239232,5.0
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccn2)n(C)c1=O,CHEMBL239018,4.87
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL441145,5.14
+CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O,CHEMBL398669,5.07
+CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O],CHEMBL400746,5.84
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1,CHEMBL251975,7.46
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL400782,5.35
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL252198,6.68
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL400190,5.35
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL392149,6.64
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL400189,6.06
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254896,4.92
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254693,4.51
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL399514,5.55
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254064,5.08
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL404131,7.96
+O=c1[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL251881,7.82
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O,CHEMBL251880,7.92
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2c1=O,CHEMBL251879,6.77
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O,CHEMBL252272,7.66
+O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL403975,7.89
+O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL252074,7.32
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O,CHEMBL401834,7.85
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O,CHEMBL251878,7.64
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O,CHEMBL427887,7.82
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O,CHEMBL252048,8.15
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)[nH]c2c1=O,CHEMBL251854,7.82
+O=c1[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL404349,8.52
+O=c1[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL253252,8.3
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O,CHEMBL404348,7.55
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL442434,7.62
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O,CHEMBL253049,7.52
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL253048,7.74
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O,CHEMBL404168,8.1
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O,CHEMBL251876,8.22
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL251875,7.14
+O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL252069,8.22
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL252068,7.89
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251874,7.47
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL404130,7.89
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251873,7.43
+Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL261345,7.88
+O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1,CHEMBL263370,5.6
+O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL263372,6.3
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411319,6.6
+CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411482,6.6
+c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1,CHEMBL259430,6.84
+CCN(CC)c1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL262353,5.62
+COCCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258848,6.37
+CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL259178,7.17
+OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL405868,6.91
+c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1,CHEMBL410264,5.76
+Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1,CHEMBL260692,8.72
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259733,8.02
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1,CHEMBL261068,8.09
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL258568,8.15
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL410297,8.2
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL262333,8.2
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL262332,8.28
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL412063,8.38
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O,CHEMBL440418,8.44
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL411075,8.46
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL261056,8.47
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O,CHEMBL260693,8.535
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O,CHEMBL407204,7.96
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260051,8.82
+COc1cc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL411314,6.32
+CN1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1,CHEMBL427602,6.76
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2Cl)CC1,CHEMBL412275,7.15
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O,CHEMBL260495,7.23
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1,CHEMBL259912,7.24
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259913,7.27
+COc1ccccc1N1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1,CHEMBL258778,7.29
+COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL428605,7.49
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL411720,7.5
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL409725,7.56
+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2)CC1,CHEMBL409726,7.69
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ncccn5)CC4)cc3)cc2n(C)c1=O,CHEMBL263895,7.87
+COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1,CHEMBL259529,7.88
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21,CHEMBL412112,8.695
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21,CHEMBL259479,8.99
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cnccn5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL409440,7.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260434,7.29
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260433,7.41
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL407179,7.61
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)Oc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL261792,7.69
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL402474,7.98
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(CCC)c1=O,CHEMBL258979,8.12
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259870,8.16
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259871,8.18
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL409514,8.21
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259057,8.32
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260221,8.38
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O,CHEMBL411275,7.16
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL259056,7.59
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CC)c1=O,CHEMBL409481,7.59
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc21,CHEMBL259580,7.82
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc21,CHEMBL410934,7.83
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259581,7.88
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCN(c2ccccc2)CC1,CHEMBL408048,7.93
+CCCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL259874,8.13
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc21,CHEMBL409443,8.22
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21,CHEMBL407202,8.24
+COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCOC)c1=O,CHEMBL261212,8.31
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc21,CHEMBL258948,8.37
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL428604,8.38
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL259760,7.67
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL260180,7.68
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL258809,7.87
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259869,7.91
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL258810,7.95
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259931,8.02
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccc(OC)cc5)CC4)cc3)cc21,CHEMBL429512,8.04
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5OC)CC4)cc3)cc21,CHEMBL259151,8.21
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21,CHEMBL294223,8.255
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O,CHEMBL259360,8.54
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21,CHEMBL259857,8.595
+COc1cc(OCC(=O)N2CCC(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL265182,6.05
+COc1ccc(C2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3OC)CC2)cc1,CHEMBL260179,7.51
+COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCc2ccccc2C1,CHEMBL259155,6.77
+COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL410066,7.36
+COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCOC)c1=O,CHEMBL261790,7.77
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21,CHEMBL408185,7.99
+O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCc2ccccc2C1,CHEMBL259104,8.02
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O,CHEMBL259105,8.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O,CHEMBL412293,8.33
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O,CHEMBL258978,8.64
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O,CHEMBL261810,7.82
+CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Br)nc2n(CCC)c1=O,CHEMBL260153,6.6
+CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Cl)nc2n(CCC)c1=O,CHEMBL258755,6.65
+CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O,CHEMBL258987,7.7
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)c(C)c4)n3)nc2n(CCC)c1=O,CHEMBL438938,7.32
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2n(CCC)c1=O,CHEMBL409736,7.22
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)c(Cl)c4)n3)nc2n(CCC)c1=O,CHEMBL410895,7.4
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O,CHEMBL258473,7.55
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O,CHEMBL430044,7.19
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)cc4)n3)nc2n(CCC)c1=O,CHEMBL412284,7.92
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)cc4)n3)nc2n(CCC)c1=O,CHEMBL261028,7.25
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(I)cc4)n3)nc2n(CCC)c1=O,CHEMBL261027,7.55
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Br)cc4)n3)nc2n(CCC)c1=O,CHEMBL259177,7.46
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O,CHEMBL258571,8.15
+CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O,CHEMBL261809,7.85
+CCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O,CHEMBL264952,6.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL261554,7.38
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL407969,7.6
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O,CHEMBL428086,7.8
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)nc2n(CC)c1=O,CHEMBL410021,7.62
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)nc2n(CC)c1=O,CHEMBL261182,6.47
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc[n+]([O-])c4)c3)nc2n(CC)c1=O,CHEMBL410529,6.3
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL427736,7.8
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL259565,7.7
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O,CHEMBL259772,7.74
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O,CHEMBL260878,7.35
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O,CHEMBL261526,7.66
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccn4)c3)nc2n(CC)c1=O,CHEMBL261525,7.34
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL258499,7.96
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL261819,7.51
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL261817,6.85
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL411452,7.66
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL408936,7.57
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cn[nH]c3)nc21,CHEMBL430050,7.42
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL260933,7.8
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL265213,7.46
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O,CHEMBL265212,7.51
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O,CHEMBL405901,7.31
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL412747,7.68
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL259300,8.15
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL259524,7.96
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259129,6.7
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL259130,7.22
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL409852,7.68
+CC(C)Cn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O,CHEMBL406775,7.38
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL258507,7.96
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL427911,7.59
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL260763,7.52
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260976,7.89
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL260975,7.85
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL258686,7.72
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259342,8.22
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260490,8.22
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL408266,8.7
+CCc1nc(-c2nccs2)c2sccc2n1,CHEMBL407650,6.14
+OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL260718,5.61
+c1csc(-c2nc(C3CC3)nc3ccsc23)n1,CHEMBL260719,6.04
+CC(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL407307,6.06
+CN(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL402464,5.81
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL512290,8.55
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL469119,8.02
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O,CHEMBL513681,9.1
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(C)c1=O,CHEMBL468295,8.0
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccn4)cc3)cc2n(C)c1=O,CHEMBL468296,7.09
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccco4)cc3)cc2n(C)c1=O,CHEMBL468506,8.49
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O,CHEMBL513135,7.94
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O,CHEMBL469136,8.68
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL511714,7.79
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL466021,8.15
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL512276,8.7
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(CCC)c1=O,CHEMBL468306,6.3
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(CCC)c1=O,CHEMBL467270,6.22
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O,CHEMBL467271,8.11
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccon4)cc3)cc2n(CCC)c1=O,CHEMBL466035,8.77
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccn[nH]4)cc3)cc2n(CCC)c1=O,CHEMBL466453,8.23
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL452454,7.62
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(CCC)c1=O,CHEMBL466828,7.37
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL468920,7.86
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N,CHEMBL468370,6.77
+Cc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1,CHEMBL467386,6.21
+N#Cc1c(-c2ccc(O)cc2)cc(-c2ccco2)nc1N,CHEMBL467366,6.43
+Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1,CHEMBL444953,6.36
+N#Cc1c(-c2ccco2)cc(-c2ccco2)nc1N,CHEMBL506250,7.47
+N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1N,CHEMBL476310,6.42
+N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1N,CHEMBL476311,7.12
+N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N,CHEMBL447192,6.66
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458224,6.84
+CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCCc4ccccc4)CC3)cc12,CHEMBL485862,9.363
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,CHEMBL490262,8.92
+Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O,CHEMBL450826,7.96
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519813,8.94
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483261,9.67
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482436,9.41
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL482638,9.21
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,9.11
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520297,8.9
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520830,9.23
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,9.16
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484900,9.35
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486478,9.8
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486479,9.52
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL519390,9.55
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,9.11
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520617,8.8
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL518972,9.07
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482648,8.92
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482855,9.03
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL483065,9.06
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,8.97
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483487,9.39
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483688,9.26
+C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL519253,9.33
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520899,7.93
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486481,8.7
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519556,8.13
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL488541,8.12
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL488542,8.27
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL486281,7.71
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,8.52
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285819,4.63
+Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O,CHEMBL38528,6.74
+Cn1c(=O)c2c(cc(-c3ccccc3)n2O)n(C)c1=O,CHEMBL452359,5.78
+Cn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(C)c1=O,CHEMBL512216,6.54
+Cc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL462095,6.34
+Cc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2O)cc1,CHEMBL460617,5.65
+Cc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1,CHEMBL512388,6.29
+Cn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,CHEMBL459553,7.17
+CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O,CHEMBL289413,6.64
+CCCn1c(=O)c2c(cc(-c3ccccc3)n2O)n(CCC)c1=O,CHEMBL457441,6.17
+CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O,CHEMBL516154,7.27
+CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O,CHEMBL457442,6.7
+CCCn1c(=O)c2c(cc(-c3ccc(C)cc3)n2O)n(CCC)c1=O,CHEMBL457659,6.23
+CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)c(O)c2n(CCC)c1=O,CHEMBL455985,7.05
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)cc2n(CCC)c1=O,CHEMBL455986,8.05
+CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O,CHEMBL457880,6.81
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O,CHEMBL510409,7.72
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)cc2n(CCC)c1=O,CHEMBL457881,7.36
+CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O,CHEMBL455998,6.94
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O,CHEMBL455999,7.96
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O,CHEMBL449133,6.31
+CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O,CHEMBL457209,6.32
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O,CHEMBL457418,7.62
+CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL456816,7.15
+CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O,CHEMBL457014,7.3
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL507754,8.19
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,CHEMBL457015,7.19
+CCCn1c(=O)c2[nH]c(-c3ccco3)c(O)c2n(CCC)c1=O,CHEMBL454700,7.64
+CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O,CHEMBL455315,6.47
+CCCn1c(=O)c2[nH]c(-c3ccco3)c(OS(=O)(=O)O)c2n(CCC)c1=O,CHEMBL508090,7.46
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O,CHEMBL456125,9.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O,CHEMBL506179,8.59
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]nc4c3)c2n1,CHEMBL442670,6.87
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]cc4c3)c2n1,CHEMBL512812,6.69
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,CHEMBL468256,7.23
+CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL511413,6.35
+CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL510134,6.74
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1,CHEMBL516770,7.08
+CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL459322,6.4
+CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL518364,6.93
+Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL447664,7.2
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1,CHEMBL517886,7.37
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1,CHEMBL516800,7.64
+NCc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460976,6.04
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460975,7.34
+Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461008,6.57
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1,CHEMBL516483,6.91
+Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1,CHEMBL506101,6.79
+Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1,CHEMBL460799,7.06
+Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1,CHEMBL461650,6.72
+Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1,CHEMBL449596,6.65
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1,CHEMBL462501,6.59
+CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460805,6.03
+CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460596,6.23
+NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518178,6.88
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL461656,5.68
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1,CHEMBL506511,8.0
+COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517429,6.04
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL505977,6.36
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL508451,6.19
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL517418,6.42
+N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL461007,6.05
+N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517417,6.2
+COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518497,6.19
+COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL443665,6.13
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1,CHEMBL461649,6.59
+Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461651,6.6
+Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL516611,6.55
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1,CHEMBL462488,6.8
+Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1,CHEMBL467246,7.62
+Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1,CHEMBL467245,6.89
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1,CHEMBL513661,6.65
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1,CHEMBL467244,7.1
+Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1,CHEMBL467035,6.2
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1,CHEMBL507426,6.91
+Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467867,6.37
+Nc1nc(-c2cn[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467655,5.89
+Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL511405,6.61
+Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL468701,6.08
+Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1,CHEMBL449469,6.7
+Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1,CHEMBL505787,7.28
+Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL508558,6.57
+Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL461858,5.75
+Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1,CHEMBL461857,8.22
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL517278,6.96
+Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1,CHEMBL517277,5.94
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477444,5.49
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477445,5.32
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O,CHEMBL449575,5.56
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL489640,5.31
+Cn1c(Br)nc2c(N)ncnc21,CHEMBL510288,6.14
+CCn1c(Br)nc2c(N)ncnc21,CHEMBL468633,6.08
+CCCn1cnc2c(N)ncnc21,CHEMBL475023,5.77
+CCCn1c(Br)nc2c(N)ncnc21,CHEMBL506450,6.7
+CC(C)n1cnc2c(N)ncnc21,CHEMBL67199,4.8
+CC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL446264,5.96
+CCC(C)n1cnc2c(N)ncnc21,CHEMBL466044,4.72
+CCC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL509367,5.92
+CC(C)Cn1c(Br)nc2c(N)ncnc21,CHEMBL474207,5.38
+CCCCn1c(Br)nc2c(N)ncnc21,CHEMBL505089,5.25
+C=CCn1c(Br)nc2c(N)ncnc21,CHEMBL506888,5.34
+Nc1ncnc2c1ncn2C1CCC1,CHEMBL455493,4.77
+Nc1ncnc2c1nc(Br)n2C1CCC1,CHEMBL515419,5.39
+Nc1ncnc2c1nc(Br)n2C1CCCC1,CHEMBL449924,6.07
+Nc1ncnc2c1nc(Br)n2CCO,CHEMBL474058,5.55
+Nc1ncnc2c1nc(Br)n2CCCO,CHEMBL475455,5.29
+CC(O)Cn1c(Br)nc2c(N)ncnc21,CHEMBL475617,6.19
+Nc1ncnc2c1nc(Br)n2CC(O)CO,CHEMBL505633,5.15
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4CCc5ccccc5C4)cc3)nc2n(CCCOC)c1=O,CHEMBL565192,7.31
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O,CHEMBL560905,7.68
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL557694,8.04
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563259,6.76
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)nc2n(CCCOC)c1=O,CHEMBL550638,7.03
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL561364,7.93
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL562427,7.81
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O,CHEMBL552304,7.47
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)nc2n(CCCOC)c1=O,CHEMBL556389,7.81
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563425,8.54
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL551904,8.52
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL560624,8.52
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)nc2n(CCCOC)c1=O,CHEMBL560623,7.11
+CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(CCCOC)c1=O,CHEMBL560562,5.7
+CCSCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O,CHEMBL556264,6.31
+CCCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O,CHEMBL561168,6.83
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O,CHEMBL561167,6.49
+CCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O,CHEMBL560967,7.07
+CCn1c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563889,7.15
+CCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCCOC)c1=O,CHEMBL564680,6.9
+CCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O,CHEMBL551761,6.86
+Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1,CHEMBL538629,6.07
+Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1,CHEMBL557084,7.17
+Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1,CHEMBL550636,6.03
+Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1,CHEMBL560904,6.86
+Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL554623,6.74
+Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL551368,6.04
+Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL553449,6.4
+Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL557696,5.91
+COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL556083,6.81
+COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL549477,6.92
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1,CHEMBL549885,6.12
+Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1,CHEMBL571672,5.23
+Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL551373,6.35
+COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL564473,6.34
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL606753,8.13
+CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL593217,7.89
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594271,7.86
+CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL595658,7.83
+CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594734,7.72
+C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603209,7.67
+C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL594735,7.67
+COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL593572,7.56
+Cn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL604075,7.49
+Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL594963,7.45
+COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603861,7.41
+CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL596346,7.36
+Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL595657,7.33
+COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL606535,7.21
+CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL604885,7.05
+C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL594728,7.05
+CSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604492,7.03
+CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL596558,6.93
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL595431,6.92
+CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL604896,6.9
+CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL594255,6.79
+CSCCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL596125,6.7
+C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604283,6.57
+CCSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL594970,6.56
+Cn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL593216,6.5
+C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL607371,6.26
+CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL594046,6.19
+CCSCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL607258,6.08
+Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1,CHEMBL594363,6.1
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1,CHEMBL608383,5.96
+CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL603748,5.88
+Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1,CHEMBL594455,5.73
+Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1,CHEMBL594136,5.61
+Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL609578,5.5
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCS(=O)CC)c1=O,CHEMBL599817,6.23
+CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O,CHEMBL597560,6.87
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O,CHEMBL597559,7.57
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O,CHEMBL603878,7.45
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccccc2)c1=O,CHEMBL597355,6.55
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O,CHEMBL597354,6.43
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O,CHEMBL597955,6.86
+CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL597169,6.32
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O,CHEMBL598819,6.72
+O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1,CHEMBL590302,6.47
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1,CHEMBL603129,6.41
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,5.4
+CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n2C)n(CCC)c1=O,CHEMBL592891,8.86
+C=CCCCCCCCCCCOCCOCCOCCOCCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL589251,8.38
+CC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1,CHEMBL1081458,6.42
+CC(=O)Nc1ccc(-c2ccncn2)c(-c2ccco2)n1,CHEMBL1081459,7.33
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1081811,8.15
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1081812,9.0
+O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1081971,8.4
+O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1,CHEMBL1076562,7.55
+N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1,CHEMBL1079801,7.39
+O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1,CHEMBL1079803,8.3
+O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1,CHEMBL1079804,9.0
+O=C(Nc1ccc(-c2ccncc2)c(Cl)n1)C1CC1,CHEMBL1082003,6.42
+CC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccncc1,CHEMBL1082004,5.44
+Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1,CHEMBL1082005,8.3
+O=C(Nc1ccc(-c2ccncc2)c(-c2nccs2)n1)C1CC1,CHEMBL1082006,7.38
+O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1,CHEMBL1082171,7.11
+O=C(Nc1ccc(-c2ccncc2)c(-c2ncco2)n1)C1CC1,CHEMBL1080500,7.49
+O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1,CHEMBL1080676,7.52
+O=C(Nc1ccc(-c2ccncc2)c(-c2cocn2)n1)C1CC1,CHEMBL1080677,6.87
+O=C(Nc1ccc(-c2ccncc2)c(-c2cc[nH]n2)n1)C1CC1,CHEMBL1080678,6.69
+O=C(Nc1ccc(-c2ccncc2)c(-n2cccn2)n1)C1CC1,CHEMBL1080679,7.14
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1082028,8.7
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1,CHEMBL1076587,8.7
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1,CHEMBL1082208,7.52
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1,CHEMBL1081038,8.4
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1081039,7.33
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1,CHEMBL1081040,7.48
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1,CHEMBL1081041,7.85
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccncn2)n1)C1CC1,CHEMBL1081042,6.68
+O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1080513,9.0
+c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1,CHEMBL1080512,7.89
+O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1080497,8.52
+c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1,CHEMBL1080327,7.68
+c1coc(-c2nc3n[nH]cc3cc2-c2ccncn2)c1,CHEMBL1082002,7.64
+Nc1[nH]nc2nc(-c3ccco3)c(-c3ccncn3)cc12,CHEMBL1082001,8.1
+Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21,CHEMBL1081841,7.96
+O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1076563,8.22
+N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1,CHEMBL1095872,5.75
+COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1170518,6.89
+COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12,CHEMBL1171898,7.66
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12,CHEMBL1171897,7.89
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12,CHEMBL1170129,7.72
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12,CHEMBL1169934,8.0
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12,CHEMBL1172274,7.82
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12,CHEMBL1170137,7.66
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12,CHEMBL1172277,8.4
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12,CHEMBL1172276,7.85
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12,CHEMBL1172275,8.1
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12,CHEMBL1171349,7.64
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12,CHEMBL1170136,7.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12,CHEMBL1170135,8.4
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12,CHEMBL1170134,8.15
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12,CHEMBL1172442,7.89
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12,CHEMBL1170583,7.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12,CHEMBL1170367,8.1
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12,CHEMBL1171163,7.72
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12,CHEMBL1171164,8.4
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12,CHEMBL1171165,8.22
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc21,CHEMBL1170990,7.66
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21,CHEMBL1169969,7.0
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21,CHEMBL1169970,5.98
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21,CHEMBL1169971,6.94
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21,CHEMBL1169972,7.1
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O,CHEMBL1170166,8.63
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1=O,CHEMBL1170167,8.45
+CCCn1c(=O)[nH]c2cc(-c3ccc(OCc4nc(-c5ccc(Br)cc5)no4)cc3)[nH]c2c1=O,CHEMBL1172502,7.5
+COc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL1171379,7.39
+CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2C)n(C)c1=O,CHEMBL1171380,7.51
+CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n2C)n(CCC)c1=O,CHEMBL1170168,7.01
+Cn1c(=O)c2c(nc(-c3ccccc3)n2O)n(C)c1=O,CHEMBL1210733,5.78
+Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL1210734,5.89
+CCOc1cccc2c(C)nc(NC(=N)N)nc12,CHEMBL602578,5.75
+COc1ccc2c(C)nc(NC3=NCC(=O)N3)nc2c1,CHEMBL1210817,6.95
+Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12,CHEMBL213425,5.12
+Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12,CHEMBL1278102,5.33
+CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O,CHEMBL1290543,6.647
+COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C,CHEMBL1290544,6.185
+CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1,CHEMBL1289343,6.07
+N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O,CHEMBL1289344,6.347
+O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1,CHEMBL1290436,7.44
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1,CHEMBL1290325,7.13
+CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290323,7.77
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1289778,6.3
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1287832,6.73
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1,CHEMBL1290002,6.05
+Cc1cc(-c2c(CCc3ccccc3)c3cc(OCC(=O)NC(C)(C)c4ccccc4)ccc3[nH]c2=O)on1,CHEMBL1290102,7.51
+CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12,CHEMBL1290212,5.57
+CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1,CHEMBL1290324,5.29
+CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL222718,7.37
+CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1,CHEMBL1650152,6.43
+CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650164,6.51
+CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650347,5.49
+CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222474,7.12
+CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650380,5.78
+CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650384,7.92
+CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650385,7.69
+CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650386,7.79
+CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650390,6.52
+CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650391,7.31
+CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650394,6.78
+CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F,CHEMBL1671936,6.59
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1672611,8.66
+CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672612,8.22
+CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672613,8.46
+CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672614,8.0
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1,CHEMBL1672615,8.52
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1,CHEMBL1672616,7.89
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)c1ccc(F)cc1,CHEMBL1672617,7.2
+O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672618,7.92
+Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1,CHEMBL1672619,8.66
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1,CHEMBL1672620,7.96
+O=C(Nc1cnc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1,CHEMBL1672621,7.6
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1,CHEMBL1672622,7.49
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672623,9.0
+O=C(Nc1cnc(-c2ccncc2)c(-c2ncco2)n1)C1CC1,CHEMBL1672624,7.25
+O=C(Nc1cnc(-c2ccncc2)c(-c2cnco2)n1)C1CC1,CHEMBL1672625,7.37
+O=C(Nc1cnc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1672626,7.54
+O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1,CHEMBL1672627,7.62
+O=C(Nc1cnc(-c2ccncc2Cl)c(-c2cccnc2)n1)C1CC1,CHEMBL1672628,7.07
+O=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1,CHEMBL1672629,7.59
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ccncc2)n1)C1CC1,CHEMBL1672630,7.96
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672631,9.22
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ncco2)n1)C1CC1,CHEMBL1672632,8.22
+O=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1,CHEMBL1672633,8.7
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760899,8.3
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12,CHEMBL1760886,7.74
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12,CHEMBL1760897,7.74
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955897,7.74
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955898,7.52
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Cl)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955899,8.3
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(OC)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955900,7.85
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Br)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955901,7.8
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955902,8.09
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955903,7.99
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955893,7.7
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc([N+](=O)[O-])cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955894,7.83
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(=O)OCC)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955904,7.92
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(=O)O)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955905,7.06
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955906,7.85
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955907,8.03
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955908,7.6
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955909,7.72
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955910,7.66
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O,CHEMBL1955911,7.31
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2n(CCC)c1=O,CHEMBL1955913,7.21
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955914,7.64
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Cl)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955915,8.46
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(Br)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955916,8.39
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955917,8.0
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccc(OC)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955918,7.46
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955919,8.26
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955920,7.66
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)no3)nc2n(CCC)c1=O,CHEMBL1955921,7.12
+CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O,CHEMBL1955922,8.4
+CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O,CHEMBL1955923,8.12
+CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O,CHEMBL1955924,7.94
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O,CHEMBL1955925,7.87
+CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O,CHEMBL1955926,7.06
+Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)n1,CHEMBL2024112,7.4
+Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1,CHEMBL2024115,7.3
+Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1,CHEMBL2024116,6.8
+COc1cccc2cc(C(N)=O)c(=N)oc12,CHEMBL1990267,6.5
+COc1cccc2cc(C(=O)NCCCCCO)c(=N)oc12,CHEMBL2042075,5.9
+COc1cccc2cc(C(=O)NCCc3ccc(O)cc3)c(=N)oc12,CHEMBL2042073,6.2
+COc1cccc2cc(C(=O)NCC(O)c3ccccc3)c(=N)oc12,CHEMBL2042072,6.0
+COc1cccc2cc(C(=O)NC3CCCCC3)c(=N)oc12,CHEMBL2042059,4.7
+COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12,CHEMBL2042060,5.0
+COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12,CHEMBL2042061,5.0
+COC(=O)/C(C#N)=C/c1cccc(OC)c1O,CHEMBL2042091,6.0
+O=C(Nc1ccccc1)c1coc2ccccc2c1=O,CHEMBL1643120,5.07
+O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O,CHEMBL1814064,5.54
+COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O,CHEMBL1814065,5.24
+COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC,CHEMBL1814067,5.19
+O=C(Nc1ccc(O)c(O)c1)c1coc2ccccc2c1=O,CHEMBL1814066,5.87
+CCCn1c(=O)c2[nH]c(C3C4CC5OC(=O)C3C5C4)nc2n(CCC)c1=O,CHEMBL2153721,5.81
+Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O,CHEMBL2153627,4.9
+Cn1c(=O)c2c(nc3n2CCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153629,6.1
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,CHEMBL1487093,6.66
+Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180918,5.12
+CON=c1[nH]c2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180916,5.07
+Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181143,5.03
+Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181142,5.13
+Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL2181141,5.54
+CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181140,5.28
+COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2181139,5.41
+Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180940,5.55
+Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180936,5.5
+Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180935,5.58
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180934,5.01
+Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180933,5.4
+C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180932,4.91
+C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180931,5.28
+Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180930,5.48
+Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181164,5.02
+Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181162,5.18
+Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181161,5.2
+Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181160,5.58
+Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181159,5.95
+Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181158,5.76
+CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181154,5.12
+CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181153,5.4
+CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181152,5.32
+CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181151,5.59
+CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181150,5.41
+CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181149,5.01
+CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181148,5.67
+CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181147,5.68
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2163568,4.5
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC,CHEMBL2311745,6.31
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1,CHEMBL2311741,7.17
+O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1,CHEMBL2382425,6.44
+O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1,CHEMBL2382424,6.26
+Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1,CHEMBL2382420,6.39
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,6.92
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,6.52
+COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382431,6.17
+O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1,CHEMBL2382428,6.1
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,6.65
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,6.44
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1,CHEMBL2391831,5.04
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL2391837,5.1
+O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1,CHEMBL2391833,6.08
+O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1,CHEMBL2391834,8.56
+Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21,CHEMBL3087713,5.2
+Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1,CHEMBL3087712,5.56
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21,CHEMBL3087711,5.29
+Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21,CHEMBL3087710,6.1
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21,CHEMBL3087708,5.6
+Nc1ncnc2c1nc(-c1ccco1)n2CCCO,CHEMBL3087707,6.46
+CCCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087706,6.6
+Nc1ncnc2c1nc(-c1ccco1)n2CCO,CHEMBL3087717,6.33
+Cn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087716,6.1
+CCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087715,6.43
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL3093321,4.77
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL3091482,5.4
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O,CHEMBL3093315,5.76
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL3093310,5.45
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O,CHEMBL3093331,5.41
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093328,5.0
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,6.73
+CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccco1,CHEMBL3091696,5.51
+CCOC(=O)c1c(-c2ccco2)nc(=O)[nH]c1C,CHEMBL3091695,5.46
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C,CHEMBL1373953,5.74
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccsc1,CHEMBL3091706,5.53
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1,CHEMBL3091705,6.38
+CCOC(=O)C1=C(C)NC(=S)NC1c1ccsc1,CHEMBL1517366,5.96
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1,CHEMBL3091704,7.25
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1,CHEMBL1566489,7.63
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1,CHEMBL3091702,5.37
+CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1,CHEMBL3091701,6.71
+CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1,CHEMBL3091700,7.37
+CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1,CHEMBL3091699,5.83
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1,CHEMBL1544856,7.4
+CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(=S)N1,CHEMBL1561375,5.8
+CCOC(=O)C1=C(C)NC(=S)NC1c1cccs1,CHEMBL1322729,5.2
+CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C,CHEMBL3091715,5.94
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1,CHEMBL3091714,5.18
+CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1,CHEMBL3091713,7.99
+CCOC(=O)C1=C(C)NC(=S)NC1c1ccco1,CHEMBL1304358,6.22
+CCCC1=C(C(=O)OCC)C(c2ccco2)NC(=O)N1,CHEMBL3091711,6.59
+CCOC(=O)C1=C(CC)NC(=O)NC1c1ccco1,CHEMBL3091710,6.15
+CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1,CHEMBL1490082,7.39
+CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1,CHEMBL3091707,6.69
+COC(=O)C1=C(C)NC(=O)NC1c1ccco1,CHEMBL1585743,5.67
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1,CHEMBL1606497,6.23
+CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121720,8.31
+Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O,CHEMBL3121722,8.54
+CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121721,8.59
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121724,8.71
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O,CHEMBL3121723,8.87
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O,CHEMBL3121727,8.98
+Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121726,9.0
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O,CHEMBL3121728,9.77
+N#Cc1c(N)nc(SCc2cscn2)nc1-c1ccc2c(c1)OCO2,CHEMBL3234965,7.38
+COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,CHEMBL2105747,6.15
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411329,5.15
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL261203,6.95
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1,CHEMBL259832,6.85
+CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314871,4.88
+CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314873,5.6
+CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314875,5.69
+Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3313941,5.27
+CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314876,5.95
+CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314877,5.93
+CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314879,5.32
+CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314883,5.72
+CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12,CHEMBL3314887,5.61
+CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314888,5.51
+CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314890,5.0
+CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314892,5.65
+CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314893,5.34
+CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314895,5.6
+CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314896,5.0
+CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314897,5.32
+CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314898,5.71
+CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314899,5.79
+CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314900,5.69
+CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314913,5.15
+CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410301,4.22
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414937,6.01
+CCn1cnc2c(NCCc3ccccc3)ncnc21,CHEMBL567012,5.09
+CCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL576447,5.62
+CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3740631,5.76
+CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21,CHEMBL3741217,5.34
+CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739985,5.03
+CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3739795,5.83
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21,CHEMBL3740141,5.69
+CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3739922,5.2
+CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21,CHEMBL3740992,5.08
+CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21,CHEMBL3741167,5.13
+CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21,CHEMBL3739903,5.75
+CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3740619,5.5
+CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21,CHEMBL3741337,5.03
+CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3741012,5.75
+CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21,CHEMBL3742158,5.73
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740085,5.66
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740959,6.17
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765818,5.83
+CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3770601,6.85
+CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12,CHEMBL3786849,9.3
+CCOC(=O)C1=C(C)NC(=O)CC1c1ccco1,CHEMBL3785517,5.6
+CCOC(=O)C1=C(C)Nc2nccn2C1c1ccco1,CHEMBL3786936,6.97
+CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ccnc2N1,CHEMBL3785381,7.07
+CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ccnc2N1,CHEMBL3785215,6.56
+CC1=C(C(=O)OC(C)C)C(c2cccs2)n2ccnc2N1,CHEMBL3785876,6.14
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ccnc2N1,CHEMBL3785334,6.07
+CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ncnc2N1,CHEMBL3786944,7.25
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccoc1,CHEMBL3787123,6.22
+CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ncnc2N1,CHEMBL3785325,6.46
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1,CHEMBL3787179,6.16
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ncnc2N1,CHEMBL3785256,6.09
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1,CHEMBL3785290,7.92
+CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccccc32)N1,CHEMBL3787197,8.46
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1,CHEMBL3785582,7.69
+CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1,CHEMBL3786336,7.94
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1,CHEMBL3785635,6.31
+CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1,CHEMBL3785353,6.43
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1,CHEMBL3785618,7.53
+CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1,CHEMBL3787034,7.53
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCC)c1=O,CHEMBL3828658,6.18
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3828401,6.47
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCC)c1=O,CHEMBL3827920,6.07
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3828002,6.88
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,6.96
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O,CHEMBL3828555,6.47
diff --git a/chembl_200/CHEMBL256.csv b/chembl_200/CHEMBL256.csv
new file mode 100644
index 0000000000000000000000000000000000000000..2b2a1e57964d9f3ac11f7c039a70b56b2bd09127
--- /dev/null
+++ b/chembl_200/CHEMBL256.csv
@@ -0,0 +1,3107 @@
+Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL324512,7.6
+CCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL350573,7.52
+CCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164867,7.4
+CCCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL164904,7.33
+CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL337503,5.9
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL436180,6.66
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](CC)c1-c1ccccc1,CHEMBL135323,6.24
+CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL440720,5.69
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1,CHEMBL335740,6.16
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1,CHEMBL340552,5.85
+CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1,CHEMBL135569,6.46
+CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL274501,6.27
+CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1,CHEMBL336629,5.87
+CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C,CHEMBL337088,6.36
+CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL135356,6.32
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1,CHEMBL135361,6.42
+CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC,CHEMBL277079,6.44
+CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1,CHEMBL424079,6.33
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL132806,7.09
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL336217,6.67
+O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL134566,6.92
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL435022,7.3
+O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL138593,7.4
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL335950,6.5
+O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL341777,6.52
+O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL135719,6.92
+CCCCn1c(=O)[nH]c2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1=O,CHEMBL35094,5.34
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)OC)cc3)[nH]c2c1=O,CHEMBL284288,7.09
+CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL35415,6.42
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2c1=O,CHEMBL289516,5.95
+CCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL35701,6.76
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37082,5.92
+Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL284991,5.68
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)[nH]c2c1=O,CHEMBL37726,6.99
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL416417,6.37
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL38304,6.32
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,7.52
+CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O,CHEMBL2113345,5.54
+CCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL287129,6.02
+C#CCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL286527,6.32
+CCCn1c(=O)[nH]c2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2c1=O,CHEMBL286350,5.93
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL435575,6.74
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2c1=O,CHEMBL38193,6.17
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c2c1=O,CHEMBL37987,5.91
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OC)cc3)nn12,CHEMBL331111,9.74
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCCC)cc3)nn12,CHEMBL333860,9.29
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(OCC)cc3)nn12,CHEMBL122819,9.05
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(C(F)(F)F)cc3)nn12,CHEMBL123705,9.083
+CCCCc1nc2nc[nH]c2c2nc(-c3ccc(N(C)C)cc3)nn12,CHEMBL123462,8.9
+NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113451,6.68
+Nc1nc(/N=N/NC(=O)Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113460,6.96
+Nc1nc(N=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113464,6.24
+Nc1nc(/N=N/NC(=O)Nc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113459,7.41
+Nc1nc(/N=N/NC(=O)NC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113452,7.2
+Nc1nc(/N=N/NC(=O)Nc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL605486,7.23
+CCNC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113444,6.95
+Nc1nc(/N=N/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113463,6.96
+Nc1nc(/N=N/NC(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113453,6.72
+Nc1nc(/N=N/NC(=O)Oc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603394,6.24
+Nc1nc(/N=N/NC(=O)Nc2nccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113454,6.21
+Nc1nc(/N=N/NC(=O)NCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113446,6.83
+Nc1nc(/N=N/NC(=O)Nc2ccccc2Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113445,6.75
+NC(=O)NN=Nc1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113447,6.76
+O=C(N/N=N/c1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113461,7.05
+O=C(N/N=N/c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113456,6.85
+COc1ccccc1NC(=O)NN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113458,7.09
+COc1ccc(NC(=O)NN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113455,7.14
+O=C(N/N=N/c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1,CHEMBL2113457,6.22
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N,CHEMBL116878,8.24
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1N,CHEMBL118507,6.92
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1N,CHEMBL334221,7.14
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL413507,8.32
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL327039,8.8
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL60156,6.17
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL305322,7.09
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1,CHEMBL62075,7.1
+CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL414620,5.94
+Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL342059,6.52
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,6.46
+Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12,CHEMBL146658,5.47
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,6.313
+Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL144972,5.35
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,6.22
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,6.152
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(NCCN)c12,CHEMBL2112826,5.25
+CCC(CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1,CHEMBL143586,6.24
+COC(=O)/C=C\Nc1cc(-c2ccncc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1,CHEMBL2112806,5.58
+CCC(CO)Nc1nc(-c2ccccc2)nc2c1c(C)c(C)n2C1CCCC1,CHEMBL142815,5.73
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(NC3CCCC3)c12,CHEMBL2112827,5.06
+CCn1c(C#Cc2ccccc2)nc2c(N)ncnc21,CHEMBL61259,7.07
+CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2181966,6.19
+Nc1ncnc2c1nc(C#Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3350497,6.1
+Nc1ncnc2c1nc(/C=C/C(=O)c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3350496,5.01
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,8.67
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,8.298
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL284216,6.33
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27952,6.77
+OC[C@H]1C[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL71385,5.71
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CC,CHEMBL111086,8.08
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C(OC)OC,CHEMBL108374,4.82
+CCOC(=O)C1=C(c2ccccc2)NC(CC)=C(C(=O)SCC)C1CC,CHEMBL110635,4.82
+CCCC1=C(C(=O)SCC)C(CC)C(C(=O)OCC)=C(c2ccccc2)N1,CHEMBL111239,5.68
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C,CHEMBL325983,5.35
+CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC,CHEMBL111423,6.71
+CCCc1nc(-c2ccccc2)c(C(=O)OCC)c(CC)c1C(=O)SCC,CHEMBL322524,7.48
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL315984,6.9670000000000005
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CC,CHEMBL321845,7.785
+CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCO)c1CC,CHEMBL108501,6.73
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)SCCOC)C1CC,CHEMBL109081,5.34
+CCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C,CHEMBL111602,6.68
+CCCC1C(C(=O)SCC)=C(C)NC(c2ccccc2)=C1C(=O)OCC,CHEMBL323042,5.66
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC,CHEMBL111260,6.74
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL89852,7.55
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)SCC)C1CC,CHEMBL108801,5.7
+CCCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCCC)c1CC,CHEMBL108705,8.1
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCO,CHEMBL159631,6.77
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCSC(C)=O,CHEMBL162665,6.91
+CCCOC(=O)c1c(-c2cccc(F)c2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL164302,7.54
+CCCOC(=O)c1c(-c2ccc(F)cc2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL162706,7.51
+CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC,CHEMBL163813,6.66
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCO,CHEMBL162666,6.58
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1,CHEMBL108753,5.55
+CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL321178,5.41
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F,CHEMBL164200,6.35
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCSC2=O,CHEMBL348766,6.61
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCF)c1CCC,CHEMBL163743,7.26
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL108797,5.56
+CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC,CHEMBL164039,6.71
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCN1C(=O)c2ccccc2C1=O,CHEMBL349191,6.61
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCCNC2=O,CHEMBL164312,5.7
+CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC,CHEMBL164321,8.37
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCF,CHEMBL164210,7.22
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF,CHEMBL422184,8.01
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCCF)c1CCC,CHEMBL162630,7.08
+CCCOC(=O)c1c(-c2ccccc2)nc(CCOCc2ccccc2)c(C(=O)SCC)c1CCC,CHEMBL163626,6.96
+CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL322332,5.62
+CCCOC(=O)c1c(-c2ccccc2F)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL163126,7.64
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCO)c1CCC,CHEMBL350988,7.29
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC(F)(F)F)c1CCC,CHEMBL2112931,7.74
+COc1ccc2c(c1)C(=O)C(O)C(/C=C/c1ccccc1)O2,CHEMBL74330,4.68
+O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CHEMBL337309,4.47
+COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1,CHEMBL148826,5.17
+COc1c2ccoc2cc2oc(C=O)cc(=O)c12,CHEMBL75514,4.05
+COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)cc1,CHEMBL356036,5.47
+CCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL76128,5.4
+COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,CHEMBL75772,5.92
+COc1cc(OC)c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1,CHEMBL357089,4.79
+COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)c(OC)c1,CHEMBL75169,5.58
+CCCOc1cc(OCCC)c2c(=O)c(OCCC)c(-c3ccccc3)oc2c1,CHEMBL76273,6.5
+O=C1CC(c2ccccc2O)Oc2ccccc21,CHEMBL75897,5.22
+COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC,CHEMBL348436,5.76
+CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccccc3)oc2c1,CHEMBL449090,6.13
+COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,CHEMBL76933,4.3
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,5.5
+COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,CHEMBL74852,5.47
+COc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,CHEMBL147199,5.86
+COc1c2ccoc2cc2oc(C)cc(=O)c12,CHEMBL45176,4.22
+CCOc1ccc(-c2oc3cc(OCC)cc(O)c3c(=O)c2OCC)c(OCC)c1,CHEMBL73648,5.32
+O=C1CC(c2ccccc2)Oc2ccccc21,CHEMBL274318,4.3
+CCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL76874,5.94
+CCOc1c2ccoc2cc2oc(/C=C/C=C/c3ccccc3)cc(=O)c12,CHEMBL78326,4.34
+COc1ccc2oc(C#Cc3ccccc3)c(O)c(=O)c2c1,CHEMBL74328,4.855
+O=c1c(Cl)c(-c2ccccc2)oc2ccccc12,CHEMBL74975,4.94
+CCOc1ccc(-c2oc3cc(OCC)cc(OCC)c3c(=O)c2OCC)c(OCC)c1,CHEMBL74505,5.14
+CCOc1cc(OCC)c2c(=O)c(OCC)c(-c3ccccc3)oc2c1,CHEMBL72862,6.44
+COc1c2ccoc2cc2oc(/C=N/c3ccccc3)cc(=O)c12,CHEMBL74489,5.04
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,4.77
+COc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL75590,5.08
+CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccccc3)oc2c1,CHEMBL149938,4.76
+O=C1CC(c2ccc(O)cc2)Oc2ccccc21,CHEMBL73933,4.37
+CNC(=O)C[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H](O)[C@H]1O,CHEMBL605054,8.96
+CCNC(=O)C[C@H]1OC(n2cnc3c(NNc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@@H](O)[C@H]1O,CHEMBL605885,8.01
+CNC(=O)C[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)[C@H]1O,CHEMBL605266,9.48
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O,CHEMBL8488,5.095
+CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)ncnc31)C(O)C2O,CHEMBL139417,8.83
+OCC12CC1C(n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C1OC12,CHEMBL342926,6.26
+Cc1cn2c(NC3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL148074,5.65
+CCc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL358076,7.69
+O=C(Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12)C1CCCC1,CHEMBL149732,5.91
+CC(=O)CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12,CHEMBL147893,5.24
+CC(=O)Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12,CHEMBL147582,7.4
+Cc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL355898,6.39
+Cc1cn2c(N)nc(-c3ccccc3)nc2n1,CHEMBL358341,5.7
+CC(C)c1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL148464,7.76
+Cc1cn2c(NC34CC5CC(CC(C5)C3)C4)nc(-c3ccccc3)nc2n1,CHEMBL145822,6.28
+Cc1cn2c(NCC3CCCCC3)nc(-c3ccccc3)nc2n1,CHEMBL147913,5.68
+CC(=O)Nc1nc(-c2ccccc2)nc2nc(C)cn12,CHEMBL421782,6.64
+CC(=O)CNc1nc(-c2ccccc2)nc2nc(C(C)C)cn12,CHEMBL144482,5.52
+Cc1cn2c(NC(=O)C3CCCCC3)nc(-c3ccccc3)nc2n1,CHEMBL343256,6.69
+CCOC(=O)C1=C(C)NC(c2ccc(C)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL140513,5.04
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL315458,7.12
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL330696,6.77
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccccc1,CHEMBL142560,7.23
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C=C(c1ccccc1)c1ccccc1,CHEMBL143384,5.85
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1C,CHEMBL100646,5.56
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccccc1,CHEMBL143471,6.85
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL139000,7.973
+CNC(=O)C12CC1C(n1cnc3c(NC)nc(Cl)nc31)C(O)C2O,CHEMBL345076,8.47
+NC(=O)CCN=C1C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2N=CN1NCCc1ccc(CCC(=O)O)cc1,CHEMBL141792,6.94
+Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL290077,7.0
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL420705,7.17
+CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL138746,6.09
+O=C1NCC[C@@]12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL344187,7.568
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]2O[C@H]12,CHEMBL344645,5.96
+CNCC(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL369744,8.82
+Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL278197,6.31
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113479,8.14
+CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113543,7.49
+CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113530,8.13
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL2113546,8.04
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113541,8.38
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113549,7.69
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113537,7.57
+COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113536,7.39
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113535,7.1
+CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113544,7.63
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2113539,6.98
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113533,7.35
+CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113542,8.48
+COC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113545,7.55
+CCOC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113548,7.82
+CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113547,7.17
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113538,7.07
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113534,7.34
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(CCC)c1=O,CHEMBL266099,5.37
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611562,7.55
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611273,7.63
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611561,8.13
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611274,6.42
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611552,7.25
+O=c1nc[nH]c2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OC[C@@]34C[C@@H]3[C@@H](n3cnc5c(=O)nc[nH]c53)[C@H](O)[C@@H]4O)C[C@H]12,CHEMBL308634,4.665
+CCCCn1c(=O)c2c(ncn2[C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n(CCCC)c1=O,CHEMBL75837,5.36
+CCCCn1c(=O)c2c(ncn2[C@H]2[C@H](O)[C@H](O)[C@]3(C(=O)NC)C[C@H]23)n(CCCC)c1=O,CHEMBL308409,5.73
+Nc1nc(=O)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2[nH]1,CHEMBL74902,4.69
+O=c1nc[nH]c2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL73740,4.52
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(=O)nc[nH]c31)[C@H](O)[C@@H]2O,CHEMBL73791,4.54
+O=c1nc[nH]c2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12,CHEMBL306260,4.96
+CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC,CHEMBL100003,5.19
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1C(F)(F)F,CHEMBL39632,4.94
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC,CHEMBL99744,4.87
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CHEMBL475534,5.08
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C,CHEMBL103643,4.21
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,5.55
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F,CHEMBL105672,5.56
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F,CHEMBL283013,4.63
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(c1)OCO2,CHEMBL101332,5.34
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1,CHEMBL418426,5.23
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(O)c(OC)c1,CHEMBL103419,4.49
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1ccccc1,CHEMBL2112411,6.17
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,CHEMBL1484,5.49
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)cc1,CHEMBL103787,5.39
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C,CHEMBL103404,4.503
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL100071,5.192
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C,CHEMBL100004,5.25
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1,CHEMBL2063640,4.92
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1,CHEMBL1099207,5.6
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CCc1ccccc1,CHEMBL102138,5.64
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,5.72
+CCCCC1=C(C(=O)OCC)C(C)C(C(=O)OCC)=C(C)N1,CHEMBL103950,4.33
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C#Cc1ccccc1,CHEMBL2112340,6.03
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,CHEMBL1428,5.07
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)CCC=C(C)C,CHEMBL101162,5.1
+O=c1[nH]c(=O)n(Cc2ccccc2)c2nc3cc(-c4ccccc4)ccn3c12,CHEMBL114304,6.7
+CCCn1c(=O)c2c(nc3cc(-c4ccccc4)ccn32)n(Cc2ccccc2)c1=O,CHEMBL113420,7.46
+CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL113512,7.44
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2cccc(C)c2)c1=O,CHEMBL320751,7.17
+C=CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL114832,8.3
+COc1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1,CHEMBL322968,6.68
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccc(OC)cc2)c1=O,CHEMBL326757,8.08
+COC(=O)/C=C/Cn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL324428,5.95
+CCCn1c(=O)c2c(nc3ccccn32)n(C)c1=O,CHEMBL112194,5.52
+O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CCCCC1,CHEMBL325010,6.94
+CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL322250,8.4
+CC(C)(C)c1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1,CHEMBL112536,6.26
+CC(C)Cn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL323717,8.2
+CCCn1c(=O)c2c(nc3cc(C(C)(C)C)ccn32)n(Cc2ccccc2)c1=O,CHEMBL112098,6.02
+O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,CHEMBL419394,7.11
+COc1ccc(Cn2c(=O)c3c(nc4ccccn43)n(Cc3ccccc3)c2=O)cc1,CHEMBL114127,6.67
+O=c1[nH]c(=O)n(Cc2ccccc2)c2nc3ccccn3c12,CHEMBL112256,6.43
+O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CC1,CHEMBL112923,8.38
+CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O,CHEMBL113634,8.0
+C#CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O,CHEMBL326319,7.85
+CSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113602,6.59
+Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113519,6.53
+Nc1ncnc2c1ncn2C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O,CHEMBL610150,8.14
+CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113606,6.39
+CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113581,6.16
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113601,7.12
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113595,7.84
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113604,7.05
+CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113600,6.4
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113582,6.26
+CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113580,6.09
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113605,7.49
+CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113592,7.42
+CSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113588,6.6
+CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113593,6.25
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27376,8.82
+CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27443,7.52
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL280580,8.62
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)C[C@@H]2O,CHEMBL27593,5.96
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)C[C@@H]2O,CHEMBL27502,5.54
+CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL286739,7.65
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C[C@@H]2O,CHEMBL28057,6.04
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL26759,7.07
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL283057,8.51
+Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL287321,6.39
+CNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL261453,9.28
+CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL258535,9.7
+CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL574597,8.47
+Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092941,8.48
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL437842,8.64
+CCNc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607759,8.31
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2094083,9.38
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL258534,8.26
+CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092787,8.64
+Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL262363,8.85
+CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092786,9.12
+CNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410115,8.92
+CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092788,9.01
+CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL438418,8.31
+Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL408918,8.3
+CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL410095,8.85
+CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL260563,8.96
+CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL3350613,8.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL224874,9.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223270,8.21
+Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375190,7.8
+CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL261623,8.01
+CC(C)Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113551,7.77
+CC(C)Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL259938,8.82
+CN(C)c1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL333943,6.37
+Nc1nc2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL121593,7.14
+CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL121793,7.95
+COc1ccc(-n2nc3c(N)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL120714,7.33
+Nc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL118164,6.47
+COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL16416,7.343
+CCOc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL120602,6.76
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL324095,9.22
+COc1ccc(-n2nc3c(N)nc4c(N)cccc4n3c2=O)cc1,CHEMBL116827,7.66
+COc1ccc(-n2nc3c(=O)[nH]c4c(N)cccc4n3c2=O)cc1,CHEMBL333016,7.08
+Nc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL118679,5.44
+COc1ccc(-n2nc3c(=O)[nH]c4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL333799,8.33
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL421420,8.32
+CCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL120662,6.69
+COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL16737,7.8
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL332969,7.33
+Nc1cccc2c1nc(N)c1nn(-c3ccc(O)cc3)c(=O)n12,CHEMBL331946,6.75
+COc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1,CHEMBL122396,7.62
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1,CHEMBL124345,6.77
+COc1cccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)c1,CHEMBL125979,7.13
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1,CHEMBL122806,6.98
+N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1,CHEMBL122622,6.27
+Cn1c(-c2ccccc2)nc2c1C1=NCCN1C(=O)N2,CHEMBL117962,7.33
+CC[C@@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2112561,5.77
+CC[C@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2111766,4.51
+CN1C(=O)N2CCN=C2c2c1nc(-c1ccccc1)n2C,CHEMBL117899,5.48
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1625681,8.64
+CC[C@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1788234,8.01
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1,CHEMBL1788230,6.19
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N,CHEMBL133809,6.52
+NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL302376,6.37
+N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL133591,9.495
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL133566,8.807
+CNC(=O)[C@@H]1C[C@H](N)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL439976,8.49
+CCCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL39986,5.63
+O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1,CHEMBL67949,5.12
+CCCCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL68278,8.34
+C#CCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL304455,4.96
+Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67313,5.06
+C#CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL67415,5.51
+O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1,CHEMBL302344,6.19
+C=CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL66899,4.79
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67228,5.16
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL63944,5.35
+CSc1sc(C(=O)NN)c2c1C=CCC2,CHEMBL75126,4.89
+O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CHEMBL28626,4.47
+C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O,CHEMBL75141,4.64
+O=c1cc(-c2ccccc2)oc2ccc(Cl)cc12,CHEMBL293478,4.49
+OC12CCCCC1=Nc1ccccc12,CHEMBL72166,4.66
+OCCN(CCO)C1=NC(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2N1,CHEMBL305858,4.72
+O=S(=O)(c1cccc2cnccc12)N1CCNCC1,CHEMBL75773,4.6
+Cc1cc(C)c(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c(C)c1,CHEMBL74248,5.28
+Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c(OCC(C)C)c1,CHEMBL307459,6.25
+COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1/C=C/C(C)C,CHEMBL72617,5.34
+O=c1c(Cl)c(-c2ccccc2)oc2ccc(Cl)cc12,CHEMBL309566,6.13
+O=c1ccnc2ccccn12,CHEMBL75200,4.32
+Nc1nc(=O)c2nc(NCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,CHEMBL74430,4.55
+CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319539,8.17
+O=C(CCCCC(=O)OCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95229,7.35
+CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98828,7.47
+CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL100195,7.48
+NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319941,6.46
+NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319976,6.67
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL97748,8.45
+O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97753,7.09
+NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95811,7.09
+C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2111571,5.92
+Clc1ccc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL98512,7.37
+CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98570,7.66
+O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL100382,7.63
+C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112381,5.94
+COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97279,7.26
+COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL317373,7.84
+CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)(c1ccccc1)c1ccccc1,CHEMBL100426,6.71
+C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL411692,9.33
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL317580,9.23
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1I,CHEMBL94968,7.31
+O=C(Cc1cccc(I)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97307,6.05
+C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL98464,9.44
+NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97961,6.06
+O=C(Cc1ccc(I)cc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95820,7.2
+O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329284,7.49
+C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112385,7.33
+NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97700,7.24
+COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97484,7.23
+O=C(/C=C/c1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95706,7.14
+CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318501,7.27
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200732,9.42
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL203357,9.4
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL201706,9.55
+CON=c1[nH]c(Cl)nc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O,CHEMBL301169,7.59
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL49843,7.39
+CON=c1[nH]c(Cl)nc2c1ncn2[C@@H]1O[C@H](c2ccon2)[C@@H](O)[C@H]1O,CHEMBL49513,7.51
+O[C@@H]1[C@@H](c2ccon2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL296135,8.11
+C=C[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL50982,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCOC(=O)NCCN)cc3)nc2n(CCC)c1=O,CHEMBL311164,7.03
+COC(=O)C1=C2C=CC(C)C=C2c2nc(-c3ccccc3)nn2C1,CHEMBL309755,6.76
+COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)nc2ccccc12,CHEMBL308087,4.06
+O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1,CHEMBL71053,6.7
+O=C(Cc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1,CHEMBL72287,6.18
+Cc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12,CHEMBL72172,4.62
+O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cc2ccccc12,CHEMBL70553,7.12
+N=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1,CHEMBL72897,6.14
+CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319971,7.84
+CCCn1c(=O)n2nc(-c3ccco3)nc2c2cc(Cl)ccc21,CHEMBL97383,5.74
+CC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318251,7.86
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL317382,8.52
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1cccc(I)c1,CHEMBL93932,7.62
+CCOC(=O)C1=C(c2ccccc2)Nc2cc(C)c(C(=O)OCC)cc2C1/C=C/c1ccccc1,CHEMBL340868,9.96
+CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL317310,6.61
+Nc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)o3)nn12,CHEMBL7266,7.19
+CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL96041,7.08
+CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329722,8.115
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)o3)nn12)c1ccccc1,CHEMBL317157,6.07
+CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL313422,7.67
+O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL414023,6.59
+Nc1nc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113493,6.69
+O=[N+]([O-])c1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113487,6.79
+Nc1cc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113502,6.67
+CON=c1[nH]c([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113495,7.45
+O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113491,8.01
+O=[N+]([O-])c1cc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113494,6.47
+O=[N+]([O-])c1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113488,7.92
+O=[N+]([O-])c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113490,6.65
+CCOC(=O)C1=C(CC)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL107987,5.55
+CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112484,7.3
+CCOC(=O)C1=C(C)NC(C2CCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112485,7.65
+CCOC(=O)C1=C(C)NC(C2CC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112486,7.56
+CCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL107155,5.68
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1C#Cc1ccccc1,CHEMBL265096,8.57
+CCOC(=O)C1=C(C)NC(C2CCCCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112483,6.64
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O,CHEMBL27508,5.6
+O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,CHEMBL440115,5.55
+CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC,CHEMBL51192,6.48
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21,CHEMBL48153,6.27
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21,CHEMBL300624,5.68
+Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21,CHEMBL297685,5.96
+CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL277041,6.17
+CO/C(=C\c1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL72613,5.16
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C,CHEMBL337552,5.76
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccc([N+](=O)[O-])cc1,CHEMBL357837,7.14
+CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL344284,6.11
+CCOC(=O)C1=C(C)NC(c2ccc([N+](=O)[O-])cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL140693,5.38
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccccc1,CHEMBL2112831,5.5
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc([N+](=O)[O-])cc1,CHEMBL315168,7.23
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1ccccc1[N+](=O)[O-],CHEMBL142226,5.49
+CCOC(=O)C1=C(C)NC(c2ccc(OC)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL142262,5.84
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL142868,6.05
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1[N+](=O)[O-],CHEMBL139931,6.96
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccc([N+](=O)[O-])cc1,CHEMBL143938,6.54
+CCOC(=O)C1=C(C)NC(c2ccoc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL143019,6.04
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1OC,CHEMBL141291,6.48
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc(N)cc1,CHEMBL419306,6.7
+CCOC(=O)C1=C(C)NC(c2ccsc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL341839,6.39
+Nc1nc(NC(=O)CCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36786,5.98
+CCNc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36160,6.74
+Nc1nc(NC(=O)C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL288258,5.56
+Nc1nc(NC(=O)CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL289982,5.57
+Nc1nc(NC(=O)CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36789,5.91
+O=C(CCc1ccccc1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL279391,5.9
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC(=O)CCC4CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL36734,6.0
+Nc1nc(NC(=O)/C=C/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285251,6.05
+Nc1nc(NC(=O)CCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL36320,5.97
+O=C(CCC1CCCC1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL36098,5.85
+CCCc1c2c(nc(-c3ccccc3)c1C(=O)OCC)CCSC2=O,CHEMBL163488,7.92
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCOC2CCCCO2)c1CCC,CHEMBL162991,6.29
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC2COC(C)(C)O2)c1CCC,CHEMBL163634,5.58
+Cn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O,CHEMBL106265,5.89
+O=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12,CHEMBL16010,5.99
+Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL16510,7.44
+O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL16715,7.25
+Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1,CHEMBL416537,7.55
+O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12,CHEMBL16195,7.39
+Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL273578,7.32
+CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16305,8.7
+Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1,CHEMBL276321,7.56
+O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12,CHEMBL16598,5.77
+COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1,CHEMBL16215,6.02
+Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL279410,7.6
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL16488,8.83
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL280278,7.26
+Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12,CHEMBL16820,6.48
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16242,7.1
+Cc1ccc(N2CN3C(=N2)C(=O)Nc2ccccc23)cc1,CHEMBL16539,6.71
+CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL277357,5.9
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL274267,6.3
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL279870,7.35
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL280080,8.43
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16254,6.56
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL16774,6.76
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12,CHEMBL276528,6.94
+O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16750,7.2
+C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL16833,6.32
+O=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12,CHEMBL16529,6.7
+Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1,CHEMBL422750,6.3
+Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21,CHEMBL276545,6.86
+Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16643,6.8
+CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL274273,7.8
+Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1,CHEMBL275421,6.26
+Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1,CHEMBL280300,7.04
+COc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1,CHEMBL114643,5.89
+COc1ccc(-c2csc3nc(=O)cc(N)n23)cc1,CHEMBL89472,7.74
+CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C(=O)OCC)C2,CHEMBL114535,6.22
+CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1,CHEMBL326389,5.51
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@@H]2COC(C)(C)O2)[C@H]1C#Cc1ccccc1,CHEMBL431232,6.37
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1C#Cc1ccccc1,CHEMBL103433,6.12
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@@H]2COC(C)(C)O2)[C@@H]1C#Cc1ccccc1,CHEMBL104198,5.88
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C#Cc1ccccc1,CHEMBL321579,7.67
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@H](O)CO)[C@@H]1C#Cc1ccccc1,CHEMBL2111655,6.28
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@H](O)CO)[C@H]1C#Cc1ccccc1,CHEMBL2112436,6.19
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,6.64
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,7.21
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,5.405
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,6.09
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17202,6.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,5.635
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,6.67
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,7.51
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,6.45
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL16677,6.86
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,6.41
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCCCC2)c(=O)n3CC2CCCCC2)cc1,CHEMBL17103,6.04
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,6.86
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,6.44
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275427,5.73
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,5.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,6.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,6.975
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL27081,6.64
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,6.55
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,7.04
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cccc(C)c2)C1C#Cc1ccccc1,CHEMBL86588,7.28
+CCNC(=O)C1=C(c2ccccc2)N(COCC)C(C)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL85130,4.96
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1C#Cc1ccccc1,CHEMBL89803,6.84
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C#Cc1ccccc1,CHEMBL442752,7.43
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC[Si](C)(C)C)C1C#Cc1ccccc1,CHEMBL89264,7.22
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)SCC)C1C#Cc1ccccc1,CHEMBL328895,6.54
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1cccc(C)c1,CHEMBL89362,6.66
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OC(C)(C)C)C1C#Cc1ccccc1,CHEMBL85172,5.51
+CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(O)OCC)c1-c1ccccn1,CHEMBL89874,4.91
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccccc1,CHEMBL314071,5.77
+CCOC(=O)C1=C(C)NC(C(F)(F)F)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL86968,5.8
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cc2ccccc2o1,CHEMBL90160,6.5
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cccc(I)c2)C1C#Cc1ccccc1,CHEMBL86647,7.03
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC(OC)c2ccccc2)C1C#Cc1ccccc1,CHEMBL86692,5.76
+C=CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc([N+](=O)[O-])cc1,CHEMBL85410,6.53
+CCOC(=O)C1=C(CC)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL90282,7.16
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cccc([N+](=O)[O-])c2)C1C#Cc1ccccc1,CHEMBL329342,8.07
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2C)C1C#Cc1ccccc1,CHEMBL87053,6.95
+CCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL89844,7.17
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC(C)(C)C)C1C#Cc1ccccc1,CHEMBL89494,5.98
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cccnc1,CHEMBL89575,4.72
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)C1C#Cc1ccccc1,CHEMBL312989,5.3
+CCOC(=O)C1=C(c2ccccc2)NC2=C(C(=O)CCC2)C1C#Cc1ccccc1,CHEMBL86829,6.35
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cccs1,CHEMBL315720,5.98
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1C#Cc1ccccc1,CHEMBL405982,7.44
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1C#Cc1ccccc1,CHEMBL327554,7.12
+CCNC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL315897,5.25
+CCNC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL89358,5.61
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc(C)cc2)C1C#Cc1ccccc1,CHEMBL86377,6.96
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(C)=O)C1C#Cc1ccccc1,CHEMBL89343,5.64
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccc([N+](=O)[O-])cc1,CHEMBL88688,5.59
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc(C(F)(F)F)cc2)C1C#Cc1ccccc1,CHEMBL313459,7.75
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccco1,CHEMBL89797,6.29
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccs1,CHEMBL311542,5.07
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)SCC)C1C#Cc1ccccc1,CHEMBL84583,6.25
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1,CHEMBL276854,5.08
+OCC1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1F,CHEMBL168567,7.12
+CNc1nc(Cl)nc2c1ncn2C1OC(CO)C(F)C1O,CHEMBL168843,6.49
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL2070507,7.313
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2113435,6.14
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113421,5.64
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL519809,8.19
+CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606095,6.68
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL2070508,7.263
+CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113436,5.07
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL261482,6.82
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCl)[C@@H](O)[C@H]1O,CHEMBL2070399,6.49
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113434,7.07
+CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1235128,7.32
+CCNC(=S)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113431,6.24
+CCOC(=O)c1sc(SC)c2c1CCCC2O,CHEMBL337243,4.45
+CNC(=O)C[C@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,CHEMBL605468,7.39
+CSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113468,7.13
+CCSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113428,7.76
+CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113432,7.35
+O[C@@H]1C(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O[C@H](c2ccon2)[C@@H]1O,CHEMBL606312,8.11
+CCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113426,6.8
+CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113429,6.19
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113441,7.33
+COc1cccc(CNc2nc(Cl)nc3c2ncn3C2O[C@H](c3ccon3)[C@H](O)[C@@H]2O)c1,CHEMBL604636,7.51
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1O,CHEMBL2113433,5.73
+CSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113420,6.89
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113425,6.86
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113437,6.68
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL2113422,6.73
+CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113427,8.06
+CCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL263643,7.05
+CCCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113467,6.71
+COc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1,CHEMBL164783,5.0
+O=C(Nc1nc(-c2ccccn2)cs1)C1CCCC1,CHEMBL162808,5.68
+COC1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1,CHEMBL165971,5.525
+O=C(Nc1nc(-c2ccccc2)ns1)C1CCC(O)CC1,CHEMBL167985,5.645
+COc1ccc(NC(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL162990,5.48
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3ccccc23)cc1,CHEMBL167627,7.57
+CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL161981,5.43
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1,CHEMBL165783,6.39
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1,CHEMBL164087,5.47
+O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1,CHEMBL164422,5.3
+O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL435866,6.62
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1,CHEMBL349715,5.6
+O=C(Nc1nc(-c2ccccc2)ns1)C1CCCCC1,CHEMBL164782,4.8
+O=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL354004,5.92
+COc1ccc(C(=O)Nc2cccc(-c3ccccc3)n2)cc1,CHEMBL164276,5.06
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(I)cc1,CHEMBL352267,5.55
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL353651,6.85
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1C,CHEMBL165103,6.24
+COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL165784,5.74
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1,CHEMBL162033,5.46
+Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL348973,5.49
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(O)cc1,CHEMBL164745,6.89
+O=C(Nc1nc(-c2ccccn2)nc2ccccc12)c1ccccc1,CHEMBL424259,6.64
+COc1ccc(C(=O)Nc2cc(-c3ccccc3)ncn2)cc1,CHEMBL162000,6.1
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1,CHEMBL165741,6.28
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cs1,CHEMBL355832,5.0
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1,CHEMBL351051,5.49
+O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1,CHEMBL163040,5.34
+O=C(Nc1nc(-c2ccccc2)cc2ccccc12)c1ccccc1,CHEMBL163248,5.92
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(I)cc1,CHEMBL353126,5.96
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)ns1,CHEMBL167391,5.4
+CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL280888,6.65
+COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL22113,6.67
+Cn1nc2nc(N)n3nc(-c4ccco4)nc3c2c1Nc1ccc(O)cc1,CHEMBL283572,6.51
+CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C,CHEMBL554955,7.95
+CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL21572,6.96
+CCOc1ccccc1-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1,CHEMBL21434,6.46
+CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C,CHEMBL281129,7.46
+CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C,CHEMBL22085,6.74
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,4.52
+Cc1ccc(-c2cc(=O)c3c(C)c(C)c(C)cc3o2)cc1,CHEMBL168080,5.35
+Nc1ncnc2c1ncn2[C@@]12C[C@H]1[C@H](CO)[C@@H](O)[C@H]2O,CHEMBL2112095,4.2
+Cc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1,CHEMBL387592,8.3
+COc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL105913,7.04
+Cc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL106906,6.94
+O=c1[nH]c2ccccc2c2cn(-c3cccc(F)c3)nc12,CHEMBL322228,7.34
+O=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12,CHEMBL106740,8.54
+Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc12,CHEMBL419002,6.82
+O=c1[nH]c2ccc(Cl)cc2c2cn(-c3ccccc3)nc12,CHEMBL104478,7.36
+c1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL107116,7.45
+O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL108178,6.97
+Cc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL107446,7.0
+O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL107571,8.08
+Nc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12,CHEMBL321441,6.1
+Fc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL104177,6.81
+c1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL106986,7.48
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320741,7.32
+CCCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21,CHEMBL320093,7.16
+Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc12,CHEMBL107637,5.44
+Cc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1,CHEMBL107414,7.65
+Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc12,CHEMBL324419,7.1
+Nc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12,CHEMBL322263,6.51
+Cc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL442005,7.36
+O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320283,8.0
+Cc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242202,8.49
+Clc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1,CHEMBL104425,5.67
+Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320805,6.26
+Clc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL318323,7.25
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccc1,CHEMBL322983,8.687000000000001
+Cc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL106346,6.73
+O=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL241987,7.51
+c1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL104115,6.15
+COc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242203,8.49
+Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12,CHEMBL104178,6.82
+Cn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21,CHEMBL106040,6.93
+c1ccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)cc1,CHEMBL106520,7.22
+Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165224,9.62
+CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL165083,9.57
+CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL166301,9.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1,CHEMBL352192,9.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)nc2n(CCC)c1=O,CHEMBL178172,7.41
+NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL366667,7.19
+CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL359531,5.83
+CC(C)CCn1cc2c(nc(NC(=O)CCCN)n3nc(-c4ccco4)nc23)n1,CHEMBL177183,7.05
+CC(C)CCn1cc2c(nc(NC(=O)CCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1,CHEMBL367773,5.6
+NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL176010,6.79
+CCCCCCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL360448,5.69
+Nc1nc2nn(CC3CCCCC3)cc2c2nc(-c3ccco3)nn12,CHEMBL179349,5.76
+O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL363807,7.38
+CNC(=O)c1cnn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234790,7.14
+CCNC(=O)c1cnn(-c2nc(NC)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL188454,7.31
+CCCNC(=O)c1cnn(-c2nc(NC)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL189069,7.72
+CNc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL184557,6.8
+CNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL231677,7.82
+CNc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL365642,8.0
+CCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL400414,7.39
+CCCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL188482,7.22
+COc1ccc(-c2cnn(-c3nc(NCc4cccc(I)c4)c4ncn(C5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL361075,6.49
+CNc1nc(-n2cc(-c3ccncc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL361938,8.22
+CNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL398587,8.7
+CCNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL231891,6.97
+OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5ccccn5)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL362117,6.77
+CNc1nc(-n2cc(-c3ccc4ccccc4n3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL183940,8.52
+OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5nccc6ccccc56)cn4)nc32)[C@H](O)[C@@H]1O,CHEMBL363458,6.96
+CNc1nc(-n2cc(-c3cccnc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL186443,8.7
+CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL361072,8.7
+CNc1nc(-c2cnn(Cc3ccccc3)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL359991,7.01
+CCCNc1nc(-c2cnn(Cc3ccccc3)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL187300,6.83
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL175543,9.54
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(F)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112155,8.62
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112156,9.25
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368363,9.08
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL353319,8.82
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCC(N)=O)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368368,8.28
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCc4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368369,8.28
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368364,9.24
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)cc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112164,7.85
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)c(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368365,8.51
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccnc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112159,7.96
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112163,9.11
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368366,9.16
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(I)nc31)[C@H](O)[C@@H]2O,CHEMBL2368367,8.44
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O,CHEMBL2112161,8.82
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112157,8.85
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccccc4C)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112158,8.43
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112160,9.2
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCO)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112162,8.54
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(C#CCO)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368370,6.66
+CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL383144,8.03
+CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL194830,7.41
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193385,8.36
+COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL191809,8.89
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193421,9.07
+Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL331382,7.33
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL364671,8.35
+OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193692,8.41
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(N)nc31)[C@H](O)[C@@H]2O,CHEMBL2112175,8.8
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Br)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2368455,9.42
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CC2=CC(C)(C)N([O])C2(C)C)c1=O,CHEMBL607303,5.77
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(Cc2ccccc2)c1=O,CHEMBL362604,7.26
+CCCc1c(O)c2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2[nH]c1=O,CHEMBL607025,6.46
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)[nH]c2c1=O,CHEMBL2112962,6.17
+CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2nc[nH]c12,CHEMBL188541,5.82
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC3)c2[nH]1,CHEMBL364948,5.73
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCC3)c2[nH]1,CHEMBL191522,5.74
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCC3)c2[nH]1,CHEMBL188496,5.86
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1,CHEMBL188343,6.18
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCCC3)c2[nH]1,CHEMBL188345,6.38
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCCCC3)c2[nH]1,CHEMBL187336,5.56
+c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC4CCC3C4)c2[nH]1,CHEMBL446698,6.91
+CCNc1nc(NC2CCCCC2)c2[nH]cnc2n1,CHEMBL191551,5.95
+c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL188592,7.29
+c1ccc(CNc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL190147,6.04
+CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1,CHEMBL426076,5.84
+c1ccc2cc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)ccc2c1,CHEMBL427161,5.62
+c1ccc(-c2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)cc2)cc1,CHEMBL187794,5.27
+c1ccc(C2CCN(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)CC2)cc1,CHEMBL362740,5.8
+CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL366216,7.15
+c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL187458,7.38
+c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1,CHEMBL365026,6.47
+c1ccc(Nc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,CHEMBL2113046,7.43
+c1ccc(Oc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL363419,7.33
+c1ccc(Oc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,CHEMBL2113045,7.13
+c1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,CHEMBL191270,6.87
+Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188967,7.15
+Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc21,CHEMBL188958,6.02
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265587,7.83
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610814,7.77
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611089,7.7
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NCC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610837,7.64
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611092,7.62
+CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610580,7.1
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611090,7.64
+CCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611099,7.6
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610847,7.66
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CCCl)CCCl)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610830,7.64
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610589,7.7
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC56CC7CC(CC(C7)C5)C6)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610829,7.46
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610584,7.64
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC5CCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610579,7.62
+C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611095,8.0
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608755,8.1
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610845,7.92
+C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL611104,8.0
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611091,8.05
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N5CC=CC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610846,7.72
+CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610849,7.85
+CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O,CHEMBL189904,8.1
+CCCn1c(=O)c2c(nc3n2C(C)C(C)=C3)n(Cc2ccccc2)c1=O,CHEMBL193130,7.1
+CCCn1c(=O)c2c([nH]c3nc(-c4ccccc4)cn32)n(Cc2ccccc2)c1=O,CHEMBL435887,6.94
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360646,6.54
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL361925,7.08
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL368880,6.89
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL360837,6.85
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL186403,6.4
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL2096798,6.975
+O=c1nc2ccccc2c2[nH]n(-c3ccccc3)cc1-2,CHEMBL364319,7.415
+COc1ccc(-n2cc3c(=O)nc4ccccc4c-3[nH]2)cc1,CHEMBL363150,7.59
+CCCn1c(=O)c2c([nH]c3nc(CC)cn32)n(Cc2ccccc2)c1=O,CHEMBL372026,7.82
+O=c1nc2ccccc2c2[nH]n(-c3ccc(Cl)cc3)cc1-2,CHEMBL364786,7.72
+O=c1nc2ccccc2c2[nH]n(-c3ccc(F)cc3)cc1-2,CHEMBL363516,7.57
+O=c1nc2ccccc2c2[nH]n(-c3ccccc3Cl)cc1-2,CHEMBL187766,7.36
+CCc1ccc(-n2cc3c(=O)nc4ccccc4c-3[nH]2)cc1,CHEMBL188436,6.8
+c1ccc(-n2cc3cnc4ccccc4c3n2)cc1,CHEMBL190111,6.67
+c1ccc(CNc2nc3ccccc3c3nn(-c4ccccc4)cc23)cc1,CHEMBL190612,6.9
+COc1nc2ccccc2c2nn(-c3ccccc3)cc12,CHEMBL188052,6.78
+S=c1nc2ccccc2c2[nH]n(-c3ccccc3)cc1-2,CHEMBL187842,6.66
+CCCn1c(=O)c2c([nH]c3nc(C(C)C)cn32)n(Cc2ccccc2)c1=O,CHEMBL188269,7.51
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21,CHEMBL2113609,5.59
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc21,CHEMBL2113641,6.17
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL444550,6.99
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113642,5.57
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@]1(C)O,CHEMBL2113643,5.45
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL2113608,6.32
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@]1(C)O,CHEMBL2113607,5.24
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@]1(C)O,CHEMBL2113640,5.92
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL2113418,6.38
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL194031,6.62
+CCCn1c(=O)c2c([nH]c3nc(C(C)(C)C)cn32)n(Cc2ccccc2)c1=O,CHEMBL191421,7.0
+CCCn1c(=O)c2c([nH]c3nc(C4CC4)cn32)n(Cc2ccccc2)c1=O,CHEMBL364036,7.64
+CCCn1c(=O)c2c([nH]c3nc(-c4ccc(F)cc4)cn32)n(Cc2ccccc2)c1=O,CHEMBL426271,7.66
+CCCn1c(=O)c2c([nH]c3nc(C)c(C)n32)n(Cc2ccccc2)c1=O,CHEMBL188506,7.44
+CCCn1c(=O)c2c([nH]c3nc(CC)c(C)n32)n(Cc2ccccc2)c1=O,CHEMBL373090,7.22
+CCCn1c(=O)c2c([nH]c3nc(-c4ccc(OC)cc4)cn32)n(Cc2ccccc2)c1=O,CHEMBL189922,7.26
+CCCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccc2)c1=O,CHEMBL434534,9.1
+CCCn1c(=O)c2c(nc3n2CC(c2ccccc2)=C3)n(Cc2ccccc2)c1=O,CHEMBL193100,6.7
+CCCn1c(=O)c2c(nc3n2CC(CC)=C3)n(Cc2ccccc2)c1=O,CHEMBL371404,8.46
+CCCn1c(=O)c2c([nH]c3nc(C4CCCCC4)cn32)n(Cc2ccccc2)c1=O,CHEMBL191414,6.26
+CCCn1c(=O)c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)nc2n(CCC)c1=O,CHEMBL361826,8.3
+N#Cc1cccc(-c2nc(NC(=O)O)sc2-n2cncn2)c1,CHEMBL1161797,6.87
+N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1,CHEMBL195140,7.62
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1,CHEMBL193977,6.16
+N#Cc1cccc(-c2nc(Nc3ccncc3)sc2-n2cncn2)c1,CHEMBL365172,6.52
+Cc1cccc(Nc2nc(-c3cccc(C#N)c3)c(-n3cncn3)s2)n1,CHEMBL194132,7.43
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1,CHEMBL2113094,7.8
+N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1,CHEMBL372182,6.91
+Cc1cccnc1Nc1nc(-c2cccc(C#N)c2)c(-n2ccnc2)s1,CHEMBL2115302,7.36
+N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1,CHEMBL2113095,7.96
+Cc1cccc(Nc2nc(-c3cccc(C#N)c3)c(-n3ccnc3C)s2)n1,CHEMBL197103,6.38
+Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1,CHEMBL2113096,8.0
+CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,CHEMBL196258,6.12
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2112177,7.88
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL573937,8.43
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4C5CCC4CC5)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2112178,7.84
+OC[C@H]1O[C@@H](n2cnc3c(NC4C5CCC4CC5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL176551,6.64
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3)nc12,CHEMBL198574,6.79
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1,CHEMBL98678,7.59
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12,CHEMBL316824,8.22
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3cccs3)nc12,CHEMBL94830,6.59
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccoc3)nc12,CHEMBL327853,7.11
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccsc3)nc12,CHEMBL97286,6.9
+O=c1[nH]c2ccccc2n2nc(-c3ccccc3)nc12,CHEMBL197333,6.4
+COc1ccc(-c2nc3c(=O)[nH]c4ccccc4n3n2)cc1,CHEMBL99178,8.68
+O=c1[nH]c2ccccc2n2nc(-c3ccco3)nc12,CHEMBL330399,7.48
+O=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12,CHEMBL328437,8.7
+Cc1ccc2[nH]c(=O)c3nc(-c4ccccc4)nn3c2c1,CHEMBL197325,6.95
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(C)cc4n3n2)cc1,CHEMBL197376,8.6
+Cc1ccc2c(c1)n1nc(-c3ccccc3)nc1c(=O)n2C,CHEMBL371697,6.51
+Nc1nc2ccc(Cl)cc2n2nc(-c3ccccc3)nc12,CHEMBL200835,7.04
+COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1,CHEMBL200479,8.54
+CCOC(=O)c1nc2c(=O)[nH]c3ccc(Cl)cc3n2n1,CHEMBL83855,6.25
+CCOC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL86164,7.15
+CCOC(=O)c1nc2c(=O)[nH]c3ccc(C)cc3n2n1,CHEMBL9128,6.97
+CCOC(=O)c1nc2c(=O)[nH]c3ccc(N)cc3n2n1,CHEMBL110165,7.6
+CCOC(=O)c1nc2c(=O)[nH]c3ccc(NC(C)=O)cc3n2n1,CHEMBL8907,6.17
+CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1,CHEMBL83919,6.47
+CCOC(=O)c1nc2c(=O)[nH]c3cc(N)ccc3n2n1,CHEMBL310544,6.45
+CCOC(=O)c1nc2c(=O)n(C)c3ccccc3n2n1,CHEMBL179109,6.09
+CCOC(=O)c1nc2c(=O)n(C(=O)OCC)c3ccccc3n2n1,CHEMBL178863,7.55
+CC(C)OC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL116737,6.38
+O=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL325715,7.29
+O=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL334286,7.09
+O=c1[nH]c2ccccc2nc1-c1cc(Cl)[nH]n1,CHEMBL403521,6.9
+c1ccc2nc(-c3nc4ccccc4[nH]3)cnc2c1,CHEMBL200636,6.12
+Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21,CHEMBL200480,6.89
+CC1CSc2nc3nn[nH]c3c(=O)n21,CHEMBL445664,6.36
+CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1,CHEMBL198460,6.83
+CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1,CHEMBL372580,6.87
+CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21,CHEMBL198461,6.98
+O=c1c2[nH]nnc2nc2n1CCCS2,CHEMBL197427,6.36
+Cc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198779,7.59
+Clc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL426297,6.85
+CSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198054,6.56
+CCSc1cccc2nc(-c3cnc4ccccc4n3)[nH]c12,CHEMBL198008,6.02
+O=[N+]([O-])c1cccc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198060,6.06
+Clc1ccc2nc(-c3cnc4ccccc4n3)[nH]c2c1,CHEMBL198673,6.2
+Cc1cc2nc(-c3cnc4ccccc4n3)[nH]c2cc1C,CHEMBL197634,6.43
+Cc1cc(Cl)cc2[nH]c(-c3cnc4ccccc4n3)nc12,CHEMBL198441,6.62
+Clc1cc(Cl)c2[nH]c(-c3cnc4ccccc4n3)nc2c1,CHEMBL197743,6.16
+c1ccc2nc(-c3nc4ccncc4[nH]3)cnc2c1,CHEMBL380770,6.77
+CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)nc2n(CCC)c1=O,CHEMBL200780,5.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5OC)on4)c3)nc2n(CCC)c1=O,CHEMBL200509,5.31
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(OC)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL371649,5.52
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5C(F)(F)F)on4)c3)nc2n(CCC)c1=O,CHEMBL200739,5.38
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5cccc(Cl)c5)on4)c3)nc2n(CCC)c1=O,CHEMBL200417,5.36
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL200451,5.92
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CCC)c1=O,CHEMBL427016,5.48
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+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200184,8.65
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+CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1,CHEMBL199611,6.04
+COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL201750,4.97
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+Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL204753,8.46
+Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)s1,CHEMBL203506,8.0
+Cn1cc2c(nc(NC(=O)Nc3ccc4ccccc4n3)n3nc(-c4ccco4)nc23)n1,CHEMBL262987,6.96
+Cn1cc2c(nc(NC(=O)Nc3cc4ccccc4o3)n3nc(-c4ccco4)nc23)n1,CHEMBL203054,7.92
+Cn1cc2c(nc(NC(=O)Nc3ccoc3)n3nc(-c4ccco4)nc23)n1,CHEMBL381123,7.96
+Cn1cc2c(nc(NC(=O)Nc3ccco3)n3nc(-c4ccco4)nc23)n1,CHEMBL382665,7.8
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1,CHEMBL203998,8.46
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+]([O-])c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203060,8.0
+Cn1cc2c(nc(NC(=O)Nc3cc[n+]([O-])cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL382357,7.68
+Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1,CHEMBL383689,8.89
+Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL203660,8.28
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+Cn1cc2c(nc(NC(=O)Nc3ccccn3)n3nc(-c4ccco4)nc23)n1,CHEMBL534936,9.38
+Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1,CHEMBL534489,9.31
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)C[C@@H]1O,CHEMBL377391,7.06
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+CCCCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL204520,8.21
+CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL205788,8.22
+CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL204634,8.99
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1NC(N)=O,CHEMBL206085,5.57
+NC(=O)N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL377490,6.7
+c1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL381729,7.42
+COc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1,CHEMBL204779,6.86
+Clc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1,CHEMBL206969,6.61
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1,CHEMBL207529,6.7
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1,CHEMBL207824,7.46
+CC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL204780,8.02
+CCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1,CHEMBL424869,7.77
+c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1,CHEMBL378959,7.31
+COc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL207760,8.4
+Cc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205194,8.03
+Clc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1,CHEMBL205586,7.03
+COc1ccc(-c2nc(-c3ccc(OC)cc3)c3[nH]cnc3n2)cc1,CHEMBL437123,6.78
+Cc1ccc(-c2nc(-c3ccc(C)cc3)c3[nH]cnc3n2)cc1,CHEMBL205192,8.03
+Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c3[nH]cnc3n2)cc1,CHEMBL426497,7.17
+c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL442333,6.1
+Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL378047,5.79
+Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1Cl,CHEMBL207209,5.33
+COc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL207208,6.39
+Cc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL210380,5.92
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,6.2
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,4.03
+CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CCC)c1=O,CHEMBL380176,7.64
+Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL208824,6.0
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O,CHEMBL251870,6.835
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O,CHEMBL251869,7.245
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O,CHEMBL254725,6.77
+Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL380162,5.91
+COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL377781,6.465
+COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL212458,8.48
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL211449,8.28
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1,CHEMBL209061,8.59
+Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL380031,8.06
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL211862,9.1
+O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL212633,7.83
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL209927,9.09
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL445067,7.36
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1,CHEMBL209122,9.0
+Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL211183,7.66
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL212639,6.66
+O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL378276,7.66
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12)c1ccccc1,CHEMBL211713,7.0
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL209943,8.54
+COc1ccc(-n2nc3c(NC(C)=O)nc4c(N)cccc4n3c2=O)cc1,CHEMBL210642,8.26
+CC(=O)Nc1nc2c(N)cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL378514,7.32
+COc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1,CHEMBL377523,7.45
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,5.97
+O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL209479,8.05
+O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL208686,7.85
+O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL377248,7.57
+O=C(Nc1cccnc1)Nc1nc2nn(CCO)cc2c2nc(-c3ccco3)nn12,CHEMBL212268,7.47
+O=C(Nc1ccncc1)Nc1nc2nn(CCCO)cc2c2nc(-c3ccco3)nn12,CHEMBL211341,8.7
+O=C(Nc1ccncc1)Nc1nc2nn(CCO)cc2c2nc(-c3ccco3)nn12,CHEMBL211841,8.29
+CCOC(=O)c1c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+](C)c1C,CHEMBL441365,6.42
+CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(=O)SCC)c1C,CHEMBL377271,7.7
+CCCOC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC,CHEMBL437685,8.1
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)OCC)c1CCC,CHEMBL209048,7.72
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)OCC)c1CC,CHEMBL210351,8.08
+CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1CC,CHEMBL425954,6.92
+Cc1cccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1,CHEMBL424071,6.62
+Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c(C)c1,CHEMBL128886,6.44
+O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccc(Cl)cc1,CHEMBL440339,6.7
+CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1,CHEMBL305516,6.74
+Cc1cccnc1-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1,CHEMBL377211,6.59
+O=C(Nc1ccccc1)Nc1ncnc2ccccc12,CHEMBL309974,5.92
+O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)nc2ccccc12,CHEMBL423311,6.31
+COc1cccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1,CHEMBL130888,6.82
+O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1cccc(Cl)c1,CHEMBL128538,6.11
+COc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1OC,CHEMBL130130,6.51
+Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1C,CHEMBL127383,7.16
+Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1,CHEMBL339261,7.02
+CCn1cc2c(n1)N=C(NC(=O)Nc1ccccc1OC)N1N=C(c3ccco3)NC21,CHEMBL209332,9.25
+CCn1cc2c(n1)N=C(NC(=O)Nc1ccc(F)cc1)N1N=C(c3ccco3)NC21,CHEMBL211055,9.07
+CCn1cc2c(n1)N=C(NC(=O)Nc1ccc(C)cc1)N1N=C(c3ccco3)NC21,CHEMBL209992,9.85
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCC(=O)OC)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL424908,5.17
+CCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCC)c1=O,CHEMBL385372,5.36
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,5.32
+CNc1nc(-n2ccnn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL218450,7.98
+COc1ccc(Cl)c(CNc2nc([N-][N+]#N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL386698,8.85
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc([N-][N+]#N)nc32)[C@H](O)[C@@H]1O,CHEMBL218407,7.94
+CNc1nc([N-][N+]#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL384425,7.97
+COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL218378,7.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(CC5CCCC5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL374787,7.94
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(Cc5ccccc5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL385582,8.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc32)[C@H](O)[C@@H]1O,CHEMBL219910,8.74
+CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL374768,8.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4ccnn4)nc32)[C@H](O)[C@@H]1O,CHEMBL386263,8.68
+CNc1nc(-c2cn(Cc3cccc(Cl)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL216392,7.09
+CNc1nc(-c2cn(Cc3cccc(OC)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL384900,7.06
+CNc1nc(-c2cn(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219513,7.27
+CNc1nc(-n2cc(CC3CCCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL376249,7.67
+CNc1nc(-n2cc(CC3CCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219256,8.89
+CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL437344,8.02
+CCCOc1ccc(-c2cn(-c3nc(NC)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn2)cc1,CHEMBL218505,7.6
+CNc1nc(-n2cc(-c3ccccn3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL218326,7.99
+CNc1nc(-n2cc(-c3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387030,7.83
+CNc1nc(-n2cc(CN(C)C)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374645,6.93
+CNc1nc(-n2cc(CCO)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219600,7.35
+CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL219056,7.93
+CCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1,CHEMBL219055,7.86
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL217952,7.6
+O=c1[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1,CHEMBL374938,6.58
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCCC4)[nH]c3n2)cc1,CHEMBL219160,6.2
+c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1,CHEMBL219625,8.16
+CC(C)(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220053,6.94
+CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL385109,6.77
+CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221486,7.6
+CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL221343,8.14
+CCCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL376648,7.16
+CCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL222130,8.07
+Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1,CHEMBL220587,7.21
+c1ccc(-c2cc(-c3ccccc3)c3nc[nH]c3n2)cc1,CHEMBL220535,6.74
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL221206,8.72
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223786,8.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL220386,8.49
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374336,7.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374792,8.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL374462,8.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL374242,8.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL375301,8.55
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223625,8.6
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL427077,8.72
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL220334,7.26
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223456,8.48
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL223514,8.96
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(I)nc32)[C@H](O)[C@@H]1O,CHEMBL385771,8.77
+CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1162942,8.14
+CON=c1[nH]c(C#Cc2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220158,8.37
+CON=c1[nH]c(C#Cc2ccc(C(N)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223740,8.28
+CON=c1[nH]c(C#Cc2ccc(C(C)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL385770,8.52
+CON=c1[nH]c(C#Cc2ccc(CC#N)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220335,8.43
+CON=c1[nH]c(C#Cc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373578,7.64
+CON=c1[nH]c(C#Cc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223739,8.36
+CCCCCc1ccc(C#Cc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=NOC)[nH]2)cc1,CHEMBL374320,7.41
+CON=c1[nH]c(C#Cc2ccc(C)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426537,8.23
+CON=c1[nH]c(C#Cc2ccncc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL220899,8.22
+CON=c1[nH]c(C#Cc2cccnc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223328,8.1
+CON=c1[nH]c(C#Cc2ccccn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223327,8.64
+CON=c1[nH]c(C#CC2CCCCC2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223326,8.77
+CON=c1[nH]c(C#CCC(C)O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL219888,8.27
+CON=c1[nH]c(C#CCCCC#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375619,8.39
+CON=c1[nH]c(C#C[Si](C)(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL267421,7.89
+CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL220889,8.55
+C#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=NOC)[nH]1,CHEMBL374019,7.64
+CON=c1[nH]c(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,CHEMBL441707,8.42
+CON=c1[nH]c(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223472,8.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL376542,8.29
+Nc1nc(OCCc2cc3ccccc3[nH]2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374461,6.29
+Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222945,6.98
+Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1,CHEMBL375080,5.87
+Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223366,6.63
+Nc1nc(OCCc2ccsc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225287,7.0
+Nc1nc(OCCc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225233,7.03
+Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374760,6.89
+Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426928,6.95
+Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225593,6.92
+Nc1nc(OCCc2ccccc2F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225535,7.11
+C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1,CHEMBL222392,6.51
+Nc1nc(OCCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387324,6.45
+Nc1nc(OCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374151,7.18
+Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374685,7.27
+Nc1nc(OCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387354,6.24
+CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL223846,6.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@@H]1O,CHEMBL223845,6.96
+CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL261515,7.52
+Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(NC(=N)N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1,CHEMBL2113270,6.34
+N=C(N)Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113271,7.05
+Nc1nc(OCCn2nnc3ccccc32)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374737,5.72
+Nc1nc(OCCn2cnc3ccccc32)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL221363,5.68
+Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222500,6.92
+COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1,CHEMBL374028,6.44
+COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1,CHEMBL223002,6.22
+Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL223729,6.85
+Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL434377,6.59
+Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225459,7.05
+Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222907,7.03
+Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3cc(Br)ccc32)cc1,CHEMBL375810,5.06
+Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222748,6.96
+Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222194,6.63
+Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL222442,6.53
+Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL373478,6.31
+Cc1ccc(S(=O)(=O)n2c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)cc3ccccc32)cc1,CHEMBL221777,6.21
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1,CHEMBL441555,5.89
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CC1,CHEMBL224835,6.17
+CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL222718,6.265
+CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CHEMBL225244,6.63
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1,CHEMBL376034,5.48
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL375631,6.77
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCC1,CHEMBL223978,6.75
+O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1,CHEMBL388113,7.6
+CCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL223977,6.83
+CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL387322,6.35
+CC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222433,6.57
+CCCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222432,6.41
+CCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222384,6.775
+CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL222474,7.495
+CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1,CHEMBL426565,7.98
+COc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,CHEMBL222383,5.93
+O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1,CHEMBL225460,6.77
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL388505,7.02
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL225944,7.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL226305,7.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL226356,6.97
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226307,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226304,7.18
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL375501,7.08
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccncc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388406,7.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(N6CCOCC6)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226303,6.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(C(C)(C)C)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388405,7.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc6c(c5)OCO6)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388194,7.09
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5cc(OC)cc(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226245,7.1
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226244,7.27
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226243,7.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL225579,6.94
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(I)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226242,7.07
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Br)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388193,7.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437168,7.47
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226194,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL226193,7.42
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(Cl)nc32)[C@@H]1O,CHEMBL389912,7.61
+COc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL387740,7.7
+COc1ccc(Cl)cc1CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL437923,7.9
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@@H]1O,CHEMBL227279,7.59
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL413686,8.38
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL226585,8.13
+CCNC(=O)c1cnn(-c2nc(Nc3ccc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232513,9.24
+CCNC(=O)c1cnn(-c2nc(Nc3ccc(C)cc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232512,9.15
+O=C(O)c1ccnc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL393185,7.11
+OCc1cnn(-c2nc(Nc3ncc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429619,7.2
+OCc1cnn(-c2nc(Nc3cnccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL429073,7.44
+OCc1cnn(-c2nc(Nc3ccc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232096,7.59
+OCc1cnn(-c2nc(Nc3ccncc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL399621,8.4
+OCc1cnn(-c2nc(Nc3ccccn3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234136,8.52
+OCc1cnn(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL392742,7.82
+Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL400013,7.03
+CNC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL393916,6.8
+CCOC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL428716,7.52
+OC[C@H]1O[C@@H](n2cnc3c(NC45CCC(CC4)C5)nc(-n4cccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL399214,5.9
+CCOC(=O)c1cnn(-c2nc(NC34CCC(CC3)C4)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234974,6.6
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(-n4cccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL393172,6.98
+CCOC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL392958,7.72
+NC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232482,6.42
+O=C(O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232670,5.39
+CCNC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL391208,7.7
+CNC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL400034,5.85
+O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL393496,5.5
+CCOC(=O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL393295,7.04
+O=C(NCc1ccc(Cl)cc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL231881,8.4
+O=C(NCc1ccc(F)cc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL234779,7.82
+O=C(NCc1ccccc1)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232516,7.27
+O=C(O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232515,5.49
+CCCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232313,7.31
+CCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232100,6.88
+CNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL232099,6.15
+CCOC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL398588,7.39
+Cc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL389962,7.52
+COc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL230854,7.76
+Cc1cccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)c1,CHEMBL230853,7.63
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL389318,8.21
+Cc1ccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)cc1,CHEMBL425671,6.59
+Cc1cccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)c1,CHEMBL231560,8.47
+COc1ccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)cc1,CHEMBL397033,8.05
+Cc1ccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)cc1,CHEMBL388947,7.94
+Cc1cccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)c1,CHEMBL242851,7.85
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL242849,8.05
+COc1ccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)cc1,CHEMBL390408,8.35
+Cc1ccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)cc1,CHEMBL242634,8.25
+Cc1cccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)c1,CHEMBL242633,8.41
+COc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL390407,8.47
+Cc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1,CHEMBL242632,8.36
+Cc1cccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)c1,CHEMBL242424,8.37
+COc1ccc(-n2cc3c(n2)c(NC(C)=O)nc2ccccc23)cc1,CHEMBL242422,6.99
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccc(C)cc3)nc12,CHEMBL388459,6.91
+CC(=O)Nc1nc2ccccc2c2cn(-c3cccc(C)c3)nc12,CHEMBL242421,7.51
+COc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL388458,6.64
+O=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12,CHEMBL242205,7.13
+O=c1[nH]c2ccccc2c2cn(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL242204,7.07
+COc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1,CHEMBL388250,8.14
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O,CHEMBL391718,5.0
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O,CHEMBL239233,4.86
+O=c1[nH]c2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL192555,7.04
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL398788,7.36
+O=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235935,7.31
+COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235719,7.31
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL235718,7.01
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL398787,8.04
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1,CHEMBL235717,7.91
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235513,8.8
+Cc1ccc(-c2nn3c(NC(=O)c4cccc(Cl)c4)nc4ccccc4n3c2=O)cc1,CHEMBL235512,7.38
+COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1,CHEMBL400812,8.96
+COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL235296,7.25
+O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1cccc(Cl)c1,CHEMBL400811,7.82
+COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccccc4)nn23)cc1,CHEMBL235295,8.37
+O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1ccccc1,CHEMBL235294,6.99
+Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1,CHEMBL392136,6.99
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL235076,6.25
+Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL394064,6.53
+COc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL235075,7.29
+Cc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL394063,7.53
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL397821,7.48
+Nc1nc2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12,CHEMBL235071,6.43
+Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL236958,7.46
+Cc1ccc(-c2nn3c(=O)[nH]c4ccc(Cl)cc4n3c2=O)cc1,CHEMBL192615,7.4
+O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL371834,7.02
+O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccccc3)nn12,CHEMBL372281,6.42
+COc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL192554,7.3
+Cc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL190768,7.06
+O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12,CHEMBL193141,7.38
+O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12,CHEMBL192198,7.01
+COc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1,CHEMBL238254,7.06
+O=C(Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1)c1ccccc1,CHEMBL239194,6.74
+CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1,CHEMBL239193,7.6
+O=C(Nc1ccc(Br)cc1)c1[nH]c(=O)nc2ccccc12,CHEMBL392165,7.57
+Cc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1,CHEMBL238314,7.57
+O=C(Nc1ccccc1)c1[nH]c(=O)nc2ccccc12,CHEMBL279403,7.3
+COc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1,CHEMBL236373,7.71
+Nc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1,CHEMBL235988,6.26
+Cc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1,CHEMBL396391,7.01
+Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1,CHEMBL238091,6.46
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(CCC)c1=O,CHEMBL400619,5.8
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(CCC)c1=O,CHEMBL400620,5.89
+CC1(C)NC(C)(C)c2cc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21,CHEMBL249294,6.55
+CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O,CHEMBL398669,7.08
+CC(C)(C)c1cc(C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C(C)(C)C)c1O,CHEMBL251708,7.85
+CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1,CHEMBL249492,4.6
+CC1(C)c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL249677,7.05
+CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1[O],CHEMBL250316,5.07
+CC1(C)c2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL400567,6.1
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1,CHEMBL251975,6.18
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL400782,4.72
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL252198,4.46
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL400190,4.45
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL392149,4.59
+O=c1[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL404349,6.0
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL442434,5.8
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL253048,6.57
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O,CHEMBL404168,6.15
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL404131,6.8
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O,CHEMBL251875,5.67
+O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1,CHEMBL252069,6.74
+CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL252068,5.96
+CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251874,6.96
+CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL404130,6.92
+CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O,CHEMBL251873,5.82
+O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCSCC1,CHEMBL271730,6.06
+O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCC(O)CC1,CHEMBL271732,5.82
+O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCCC1,CHEMBL404235,6.93
+O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCC1,CHEMBL428245,7.36
+CN1CCN(C(=O)[C@H]2S[C@@H](n3cnc4c(NCc5cccc(I)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)CC1,CHEMBL272155,6.18
+O=C([C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCCCC1,CHEMBL406911,6.25
+CCN(C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1ccccc1,CHEMBL272368,6.4
+CN(CCO)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255596,6.9
+CCCN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL403584,6.14
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255597,6.08
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255809,6.94
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL255975,7.51
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL256185,6.96
+COCCNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)N(C)C)[C@@H](O)[C@H]1O,CHEMBL255976,6.37
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(N(C)C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL271684,6.87
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL271686,8.03
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL271685,7.67
+CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL272550,6.92
+CN1C(=O)C2Nc3cccnc3C2N(C)C1=O,CHEMBL405696,7.86
+CN1C(=O)C2C(c3ccncc3N2C)N(C)C1=O,CHEMBL270300,5.5
+Oc1c(Br)cc2[nH]c3cnccc3c2c1Br,CHEMBL272185,5.69
+CN1C(=O)C2C(c3ncccc3N2C)N(C)C1=O,CHEMBL407351,6.48
+CN1C(=O)C2Nc3cnccc3C2N(C)C1=O,CHEMBL408895,6.28
+CCCOc1cc(NC(C)=O)nc(SC)n1,CHEMBL272174,7.51
+CCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1,CHEMBL272582,8.07
+CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1,CHEMBL272795,8.7
+CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1,CHEMBL256643,7.66
+CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1,CHEMBL429131,8.85
+CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1,CHEMBL402848,8.74
+CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1,CHEMBL406567,7.52
+CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1,CHEMBL270676,8.46
+CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1,CHEMBL257256,8.15
+CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1,CHEMBL271106,8.2
+CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1,CHEMBL257487,8.12
+CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1,CHEMBL257298,6.28
+CCCOc1cc(NC(=O)CC)nc(SCCC)n1,CHEMBL271753,7.42
+CCCOc1cc(NC(C)=O)nc(SCCC)n1,CHEMBL272596,7.59
+CCCSc1nc(NC(=O)CC)cc(OC)n1,CHEMBL429435,6.56
+CCCSc1nc(NC(C)=O)cc(OC)n1,CHEMBL405824,6.78
+CCCOc1cc(NC(=O)CC)nc(SC)n1,CHEMBL406727,7.35
+Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL261345,6.48
+O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1,CHEMBL263370,6.6
+O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL263372,6.9
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411319,7.0
+CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL411482,6.6
+c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1,CHEMBL259430,6.17
+c1coc(COc2nc3ccccc3n3nc(-c4ccco4)nc23)c1,CHEMBL264139,7.18
+c1ccc(COc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL264138,5.81
+COCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL258849,6.36
+CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL259178,7.64
+OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12,CHEMBL405868,7.52
+c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1,CHEMBL430227,6.43
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21,CHEMBL412112,5.65
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CCCC1,CHEMBL259392,6.73
+O=C(Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1)C1CC1,CHEMBL409125,7.51
+CCC(CC)C(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL261198,6.2
+CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1,CHEMBL409126,7.27
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL408266,7.04
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O,CHEMBL407969,5.42
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O,CHEMBL428086,6.38
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL427736,6.4
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21,CHEMBL259565,6.46
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O,CHEMBL259772,6.36
+CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O,CHEMBL260878,6.54
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL258499,6.6
+CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL261819,6.49
+CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL411452,6.49
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O,CHEMBL265213,6.02
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21,CHEMBL412747,6.8
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21,CHEMBL259300,7.46
+Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21,CHEMBL259524,7.04
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL259130,6.97
+CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O,CHEMBL409852,6.69
+CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL258507,6.34
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260976,7.02
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL260975,6.39
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O,CHEMBL259342,6.58
+CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O,CHEMBL260490,6.55
+CCc1nc(-c2nccs2)c2sccc2n1,CHEMBL407650,5.74
+OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1,CHEMBL260718,6.34
+c1csc(-c2nc(C3CC3)nc3ccsc23)n1,CHEMBL260719,6.02
+CC(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL407307,6.32
+CN(C)c1nc(-c2nccs2)c2sccc2n1,CHEMBL402464,5.75
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)NCCNC(C)=O)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL257573,8.54
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)NCCN)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL256312,8.28
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)O)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL256520,7.77
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(=NOC)[nH]c(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL402607,6.83
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL257785,8.66
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@H](O)[C@@H]2O,CHEMBL257833,8.62
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL436649,8.93
+CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL258421,9.09
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#C[Si](C)(C)C)nc31)[C@H](O)[C@@H]2O,CHEMBL257405,9.01
+C#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL402574,8.89
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(OC)ccc4OC)nc(I)nc31)[C@H](O)[C@@H]2O,CHEMBL255907,8.89
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL406643,7.22
+OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411066,7.66
+O=C(Nc1ccc(F)cc1)Nc1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL487497,7.04
+O=C(Nc1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1,CHEMBL453224,5.25
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O,CHEMBL512290,6.56
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O,CHEMBL469119,6.06
+Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O,CHEMBL513681,6.44
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O,CHEMBL466021,6.48
+CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O,CHEMBL512276,7.15
+N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccco2)nc1N,CHEMBL513320,6.41
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458224,7.72
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,CHEMBL490262,6.37
+CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCCc4ccccc4)CC3)cc12,CHEMBL485862,6.35
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL482638,6.25
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,4.62
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520830,6.12
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,5.24
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,4.52
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL518972,6.81
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,4.75
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483487,6.36
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL488542,6.68
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL486281,6.85
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,5.68
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL483954,9.4
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL449380,9.55
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N(C)C)[C@@H](O)[C@H]1O,CHEMBL483802,5.82
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL521312,8.55
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL483969,8.96
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(C)C)[C@@H](O)[C@H]1O,CHEMBL483975,8.79
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1O,CHEMBL485164,5.41
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](O)[C@H]1O,CHEMBL485165,5.46
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](O)[C@H]1O,CHEMBL483813,5.57
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCc2cccc(F)c2)[C@@H](O)[C@H]1O,CHEMBL390877,7.76
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCc2cccc(F)c2)[C@@H](O)[C@H]1O,CHEMBL488147,7.07
+CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O,CHEMBL520247,6.38
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL488148,8.65
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL488149,9.17
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL487334,8.25
+O=C([C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCC(Cc2ccccc2)CC1,CHEMBL488576,5.4
+O=C([C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCOCC1,CHEMBL529896,5.35
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL488777,8.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL487754,8.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL486171,9.05
+CC(C)CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL486373,7.38
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL486374,8.53
+O=C(NCC1CC1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL516058,8.44
+O=C(NC1CCC1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL474509,7.74
+O=C([C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCC(Cc2ccccc2)CC1,CHEMBL462540,6.06
+O=C([C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1,CHEMBL500736,5.84
+O=C([C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCOCC1,CHEMBL474510,6.29
+O=C(NCc1cccc(Cl)c1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL475320,6.51
+O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL513368,6.45
+O=C(NCCc1ccccc1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL472886,6.36
+O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL457481,6.46
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL516346,8.66
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL473502,8.6
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N(C)C)[C@@H](O)[C@H]1O,CHEMBL514483,6.2
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL474310,7.56
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL474311,7.53
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1O,CHEMBL474917,5.12
+Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](O)[C@H]1O,CHEMBL443926,4.31
+Cc1cc2[nH]c3cnccc3c2c(C)c1O,CHEMBL458558,4.75
+Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O,CHEMBL541164,4.53
+Cc1cc2c(c(C)c1O)c1ncccc1n2C,CHEMBL458947,4.88
+Cc1cc2[nH]c3cccnc3c2c(C)c1O,CHEMBL458465,5.35
+Cc1cc2c(c(C)c1O)c1ccncc1n2C,CHEMBL458409,4.36
+COC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL489175,7.91
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL491416,7.06
+CON(C)C(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL521621,7.15
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL491616,6.51
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL490403,6.71
+CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O,CHEMBL522111,6.0
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL490605,8.84
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21,CHEMBL523797,8.97
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21,CHEMBL490606,9.14
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21,CHEMBL490607,8.85
+COc1ccc(OC)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL490405,8.8
+COc1ccc(O)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1,CHEMBL522434,8.39
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc21,CHEMBL489795,8.89
+CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O,CHEMBL507754,6.53
+CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O,CHEMBL516154,6.74
+CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O,CHEMBL289413,7.02
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O,CHEMBL456125,5.89
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O,CHEMBL506179,6.05
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O,CHEMBL201145,6.7
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL500569,8.6
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL522856,8.17
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O,CHEMBL494086,8.82
+O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O,CHEMBL509055,8.14
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL522152,9.6
+CNc1ncnc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL493888,8.32
+Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL471614,5.37
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCC1,CHEMBL514399,5.52
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCCC1,CHEMBL456211,5.33
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccs1,CHEMBL456011,5.64
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1,CHEMBL517097,5.52
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccoc1,CHEMBL459772,5.79
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1F,CHEMBL462104,5.28
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(F)c1,CHEMBL517258,5.24
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1Cl,CHEMBL460201,6.39
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(Cl)c1,CHEMBL460202,5.27
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(Cl)cc1,CHEMBL459582,5.45
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1I,CHEMBL471419,6.99
+COc1cccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)c1,CHEMBL471628,5.26
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL455383,5.28
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1C(F)(F)F,CHEMBL472447,6.25
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(C(F)(F)F)c1,CHEMBL472654,5.6
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(C(F)(F)F)cc1,CHEMBL471612,5.38
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc([N+](=O)[O-])c1,CHEMBL470814,5.31
+Nc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL469760,5.39
+Nc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL471613,6.03
+COc1ccc(-n2nc3c(OCc4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL484721,8.19
+O=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12,CHEMBL484720,7.68
+O=C(Nc1cccc(I)c1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484520,6.02
+O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484314,5.89
+O=C(NCc1ccccc1)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484313,7.2
+COc1ccc(-n2nc3c(NC(=O)NCc4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL484112,7.19
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL508203,7.08
+COc1ccc(-n2nc3c(N(S(C)(=O)=O)S(C)(=O)=O)nc4ccccc4n3c2=O)cc1,CHEMBL520152,6.41
+CS(=O)(=O)N(c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)S(C)(=O)=O,CHEMBL519319,8.26
+COc1ccc(-n2nc3c(NS(C)(=O)=O)nc4ccccc4n3c2=O)cc1,CHEMBL483115,6.31
+CS(=O)(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL483310,5.85
+O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3c([N+](=O)[O-])cccc3n12,CHEMBL483309,7.0
+COc1ccc(-n2nc3c(NS(=O)(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL482701,8.66
+O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12,CHEMBL482504,7.49
+COc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1,CHEMBL526134,7.17
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1,CHEMBL502005,8.21
+COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccc(OC)cc4)nc23)cc1,CHEMBL484299,5.86
+O=c1[nH]c2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc12,CHEMBL480593,6.32
+Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL518258,7.94
+Cc1cccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)c1,CHEMBL465946,8.2
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccc(C(F)(F)F)cc1,CHEMBL465945,6.38
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccc(C(F)(F)F)c1,CHEMBL518572,7.22
+O=C(Nc1nc2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc12)c1ccccc1,CHEMBL465096,6.85
+O=C(Nc1nc2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12)c1ccccc1,CHEMBL464041,7.28
+O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1,CHEMBL516851,7.61
+O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccco1,CHEMBL464040,7.94
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cnccn1,CHEMBL463873,7.19
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncn1,CHEMBL463863,6.68
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ncccn1,CHEMBL481395,6.02
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncc1,CHEMBL454780,8.3
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccnc1,CHEMBL519614,7.98
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccn1,CHEMBL520122,7.81
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1,CHEMBL482183,7.22
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccsc1,CHEMBL517868,7.4
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccs1,CHEMBL462204,7.3
+Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)o1,CHEMBL516966,8.12
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccoc1,CHEMBL461151,7.3
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccco1,CHEMBL517867,8.47
+CC(=O)Cn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccc2)c1=O,CHEMBL465949,6.74
+Cc1cn2c(n1)[nH]c1c2c(=O)[nH]c(=O)n1Cc1ccccc1,CHEMBL518729,6.83
+Cc1cn2c(n1)[nH]c1c2c(=O)n(CCO)c(=O)n1Cc1ccccc1,CHEMBL464076,7.42
+Cc1cn2c(n1)[nH]c1c2c(=O)n(CCCO)c(=O)n1Cc1ccccc1,CHEMBL465281,6.96
+C=CCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccc2)c1=O,CHEMBL464075,8.29
+C#CCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccc2)c1=O,CHEMBL506908,7.82
+CCOC(=O)Cn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccc2)c1=O,CHEMBL465290,7.7
+Cc1cn2c(n1)[nH]c1c2c(=O)n(CCN(C)C)c(=O)n1Cc1ccccc1,CHEMBL464437,7.01
+CCCn1c(=O)c2c(nc3n(CC)c(C)cn23)n(Cc2ccccc2)c1=O,CHEMBL481383,6.7
+CCCn1c(=O)c2c([nH]c3nc(-c4ccccc4)cn32)n(CCC)c1=O,CHEMBL526122,7.0
+CC(C)Cn1c(=O)c2c([nH]c3nc(-c4ccccc4)cn32)n(CC(C)C)c1=O,CHEMBL520767,6.84
+CCCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccncc2)c1=O,CHEMBL454444,6.85
+CCCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2cccnc2)c1=O,CHEMBL465089,7.24
+CCCn1c(=O)c2c([nH]c3nc(C)cn32)n(Cc2ccccn2)c1=O,CHEMBL465090,7.47
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]nc4c3)c2n1,CHEMBL442670,5.52
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4n[nH]cc4c3)c2n1,CHEMBL512812,5.61
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,CHEMBL468256,6.22
+CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL511413,5.62
+CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL510134,6.2
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1,CHEMBL516770,5.87
+CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL459322,6.6
+CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL518364,6.66
+Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,CHEMBL447664,6.0
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1,CHEMBL517886,5.97
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1,CHEMBL516800,6.16
+Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL460975,6.12
+Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461008,6.1
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1,CHEMBL516483,6.52
+Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1,CHEMBL506101,6.87
+Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1,CHEMBL460799,6.91
+Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1,CHEMBL461650,6.62
+Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1,CHEMBL517277,5.65
+Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1,CHEMBL449596,5.99
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1,CHEMBL462501,5.97
+CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460805,5.61
+CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL460596,6.28
+NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518178,5.59
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1,CHEMBL461656,5.42
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1,CHEMBL506511,6.31
+COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517429,5.93
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1,CHEMBL505977,5.91
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1,CHEMBL508451,6.07
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1,CHEMBL517418,6.77
+N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1,CHEMBL461007,5.98
+N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL517417,6.16
+COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL518497,6.25
+COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL443665,6.47
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1,CHEMBL461649,6.13
+Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1,CHEMBL461651,6.44
+Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21,CHEMBL516611,6.47
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1,CHEMBL462488,6.57
+Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1,CHEMBL467246,6.69
+Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1,CHEMBL467245,6.35
+Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1,CHEMBL513661,5.93
+Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1,CHEMBL467244,6.21
+Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1,CHEMBL467035,5.94
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1,CHEMBL507426,6.55
+Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467867,5.75
+Nc1nc(-c2cn[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL467655,5.55
+Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL511405,6.06
+Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL468701,5.68
+Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1,CHEMBL449469,6.47
+Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1,CHEMBL505787,5.9
+Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL508558,5.66
+Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL461858,5.89
+Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1,CHEMBL461857,6.59
+Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL517278,6.36
+O=c1[nH]c2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL514196,6.6
+COc1ccc(-n2nc3c(=O)[nH]c4ncccc4n3c2=O)cc1,CHEMBL475791,8.48
+O=c1[nH]c2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12,CHEMBL475792,6.23
+Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL474636,6.18
+COc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1,CHEMBL474977,6.8
+Nc1nc2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12,CHEMBL515433,6.31
+Nc1nc2ncccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL514155,5.87
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ncccc3n12,CHEMBL473648,7.81
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12,CHEMBL473649,8.08
+CC(=O)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL514156,6.86
+O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL473650,7.15
+O=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL473839,7.93
+COc1ccc(-n2nc3c(NC(C)=O)nc4ncccc4n3c2=O)cc1,CHEMBL516049,7.39
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1,CHEMBL474016,8.34
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL516372,6.47
+COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1,CHEMBL475026,8.11
+O=c1[nH]c2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL508031,6.55
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3c([N+](=O)[O-])cccc3n12,CHEMBL492356,6.55
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3c([N+](=O)[O-])cccc3n12,CHEMBL492955,6.94
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477445,6.38
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O,CHEMBL449575,5.89
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@@H]1O,CHEMBL514541,5.85
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL515330,5.17
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL478071,5.52
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL477665,4.94
+C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL514701,5.23
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477666,6.53
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL477667,6.32
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL523934,5.84
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL489226,5.94
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL489428,5.46
+C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL489628,5.36
+O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O,CHEMBL489638,6.13
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL522095,5.6
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21,CHEMBL489639,5.35
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL489640,7.0
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL490250,6.89
+CCn1c(Br)nc2c(N)ncnc21,CHEMBL468633,4.555
+CC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL446264,4.82
+CCC(C)n1c(Br)nc2c(N)ncnc21,CHEMBL509367,4.82
+CC(C)Cn1c(Br)nc2c(N)ncnc21,CHEMBL474207,4.82
+C=CCn1c(Br)nc2c(N)ncnc21,CHEMBL506888,4.7
+Nc1ncnc2c1ncn2C1CCC1,CHEMBL455493,4.48
+Nc1ncnc2c1nc(Br)n2C1CCC1,CHEMBL515419,5.21
+Nc1ncnc2c1ncn2C1CCCC1,CHEMBL294590,4.89
+Nc1ncnc2c1nc(Br)n2C1CCCC1,CHEMBL449924,5.38
+Nc1ncnc2c1nc(Br)n2C1CCCCC1,CHEMBL516238,4.96
+Nc1ncnc2c1nc(Br)n2CCCO,CHEMBL475455,5.49
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL561364,6.15
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O,CHEMBL552304,7.02
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563425,5.89
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL551904,6.02
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL560624,5.6
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563259,6.68
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL557694,6.4
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O,CHEMBL560905,6.03
+Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1,CHEMBL538629,6.07
+Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1,CHEMBL557084,6.47
+Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1,CHEMBL550636,5.97
+Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1,CHEMBL560904,6.38
+Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL554623,6.29
+Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL551368,6.23
+Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL553449,5.82
+Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1,CHEMBL557696,5.73
+COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,CHEMBL556083,6.4
+COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL549477,5.96
+Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1,CHEMBL549885,5.86
+Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1,CHEMBL571672,5.19
+Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL551373,5.83
+COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1,CHEMBL564473,5.76
+CNc1ncnc2c1ncn2[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL538639,7.15
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O,CHEMBL564883,6.27
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O,CHEMBL564676,7.12
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O,CHEMBL561855,7.23
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL549352,7.04
+CNc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL554275,7.43
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL563359,6.55
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL549563,7.12
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL561976,7.89
+O[C@@H]1CO[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL558891,7.37
+CCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12,CHEMBL555047,6.68
+CCCOc1cncc2[nH]c3c(=O)n(CCC)c(=O)n(CCC)c3c12,CHEMBL559990,8.42
+CCCn1c(=O)c2[nH]c3cccnc3c2n(CCC)c1=O,CHEMBL550313,7.77
+Cn1c(=O)c2[nH]c3cccnc3c2n(C)c1=O,CHEMBL541185,7.86
+CCCn1c(=O)c2[nH]c3cnccc3c2n(CCC)c1=O,CHEMBL554967,6.54
+Cn1c(=O)c2[nH]c3cnccc3c2n(C)c1=O,CHEMBL569844,6.28
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572602,6.39
+O=C(Cc1c(Cl)cccc1Cl)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL578649,6.22
+O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576153,6.4
+O=C(Cc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573088,7.52
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL576017,6.96
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575605,6.14
+O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL575855,7.9
+O=C(Cc1ccc(F)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL574484,7.23
+Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL574490,7.35
+CC(C)CCn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL573089,6.68
+Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574483,9.01
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578005,6.94
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574263,6.58
+O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572386,6.56
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573327,7.25
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576185,6.56
+Cn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577162,6.65
+CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572601,6.72
+CCCCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL574489,7.0
+Cn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575604,8.91
+CCCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575386,7.0
+CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL577135,7.02
+CCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL576018,7.76
+Cn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL575825,8.46
+Cn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL575204,7.84
+Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576369,8.9
+Cn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573807,8.28
+CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL573779,6.71
+CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL575198,6.12
+CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL578008,7.44
+CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL572653,8.52
+O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL572419,6.14
+O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575197,6.48
+O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL575205,6.74
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL576567,6.39
+COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576538,9.02
+CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572654,7.85
+Cn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573594,7.9
+CCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573593,7.18
+CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574775,9.03
+Cn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL583960,8.71
+CCCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573360,6.72
+CCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL572906,8.92
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL573771,6.9
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL573780,8.19
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL576351,6.57
+CC(C)CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577588,8.23
+Cn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574323,7.95
+Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL578224,9.6
+Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL577357,5.35
+COc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576583,6.92
+O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL578007,5.49
+CC(C)CCn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574502,5.64
+COc1ccc(CC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL576156,6.44
+Cn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL573589,6.16
+CCCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,CHEMBL573588,6.76
+CC(C)CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574975,6.27
+CC(C)CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1,CHEMBL572600,6.51
+CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL574061,9.01
+COc1ccc(NC(=O)Nc2nc3nn(Cc4cccc5ccccc45)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL575404,7.8
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn12,CHEMBL574503,7.15
+COc1ccc(NC(=O)Nc2nc3nn(CCc4c(Br)cc(Br)cc4Br)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL575829,7.6
+C=Cn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL577183,9.32
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573950,8.6
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL574602,9.36
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573032,9.48
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL573269,9.37
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL575027,9.4
+CON=c1[nH]c(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL573030,8.41
+O=c1nc(Cc2ccccc2)[nH]c2cn(-c3ccccc3)nc12,CHEMBL574417,6.05
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL567226,9.54
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL583637,8.62
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)O)nc31)[C@H](O)[C@@H]2O,CHEMBL573713,7.21
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)O)nc31)[C@H](O)[C@@H]2O,CHEMBL566525,7.91
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL582993,8.26
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL565678,8.93
+NCCNC(=O)CCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL567224,6.39
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL576395,6.92
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(F)nc21,CHEMBL568307,7.97
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL567412,8.31
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21,CHEMBL583862,8.31
+CNC(=O)[C@]12C[C@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)NCCN)nc31)[C@@H](O)[C@H]2O,CHEMBL583749,5.33
+CNC(=O)[C@]12C[C@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@@H](O)[C@H]2O,CHEMBL568277,5.28
+CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn(C5C(O)C(O)C6(C(=O)NC)CC56)c4n3)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CHEMBL574212,7.76
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nc31)[C@H](O)[C@@H]2O,CHEMBL583748,7.24
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nc31)[C@H](O)[C@@H]2O,CHEMBL583747,7.44
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583746,7.81
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583745,8.68
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL574612,8.51
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583744,8.47
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL583132,8.66
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O,CHEMBL573125,7.95
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O,CHEMBL582921,8.6
+Nc1nc(SCCC2OCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL578145,5.46
+Nc1nc(SCCC2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL576838,5.88
+Nc1nc(SCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577036,5.74
+Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577458,6.92
+Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL576883,4.98
+Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568023,5.44
+Nc1nc(SCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568009,5.76
+CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL577915,5.63
+C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL578819,5.16
+C=CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL578569,5.18
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL606630,8.98
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL595569,9.01
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O,CHEMBL594619,8.87
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594625,8.93
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596042,9.38
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608680,8.92
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611359,9.01
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596014,8.52
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL596460,8.67
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603424,8.67
+CCOc1ccccc1CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594577,6.95
+CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NCc2cccc(I)c2)[C@@H](O)[C@H]1O,CHEMBL603643,7.81
+Cc1ccccc1CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604790,7.51
+O=C(NC1CCCCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL595117,7.45
+O=C(NCc1cccc(F)c1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL593958,7.21
+O=C(NCc1cccc(Cl)c1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL593724,6.84
+Cc1cccc(CNC(=O)[C@H]2S[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)c1,CHEMBL596027,7.02
+O=C(NC(c1ccccc1)c1ccccc1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL593445,6.94
+COc1ccccc1CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596269,7.01
+Cc1ccc(CNC(=O)[C@H]2S[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)cc1,CHEMBL593468,6.87
+O=C(NCCc1ccccc1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL595987,6.36
+O=C(NCc1cccc2ccccc12)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594620,5.92
+Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1,CHEMBL609578,6.44
+CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1,CHEMBL603748,6.13
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1,CHEMBL608383,6.05
+Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1,CHEMBL594136,5.94
+Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1,CHEMBL594455,5.79
+Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1,CHEMBL594363,5.68
+Cc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1,CHEMBL596308,5.04
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C56CC7CC(CC(C7)C5)C6)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL605399,8.19
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(-c4nnn(-c5ccc(N=C=S)cc5)c4CCCCc4cn(-c5ccc(N=C=S)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589467,8.06
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C(Br)C(=O)c5ccccc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602845,8.02
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCNC(C)=O)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589263,7.65
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCN)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602846,7.33
+CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn(C5C(O)C(O)C6(C(=O)NC)CC56)c4n3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CHEMBL589401,7.76
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589262,7.97
+C#CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL597730,7.63
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCCC4SCC5NC(=O)NC54)nc31)[C@H](O)[C@@H]2O,CHEMBL589512,7.44
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589261,7.59
+C#CCCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1,CHEMBL603870,7.53
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCNC(C)=O)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602847,7.05
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5ccc(N)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602843,7.06
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5ccc(N=C=S)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602844,7.43
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC54)nc31)[C@H](O)[C@@H]2O,CHEMBL589513,7.24
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5ccc(C(=O)O)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589209,6.74
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(Cc5ccc(-n6sccc6=O)cc5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL602848,6.99
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCC(=O)NCCOCOCOCOCNC5SCC6NC(=O)NC65)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589076,6.63
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCNC(=O)c5ccc(-c6c7ccc(=N)c(S(=O)(=O)O)c-7oc7c(S(=O)(=O)O)c(N)ccc67)c(C(=O)O)c5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL603051,6.38
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCNC5SCC6NC(=O)NC65)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL589264,6.55
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCS(=O)(=O)CC)c1=O,CHEMBL597973,7.03
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCS(=O)CC)c1=O,CHEMBL599817,6.61
+CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(CC2CCCO2)c1=O,CHEMBL598584,6.2
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O,CHEMBL597955,6.09
+CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL597169,6.39
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC2CCCO2)c1=O,CHEMBL597167,6.87
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O,CHEMBL598819,6.93
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1,CHEMBL602950,6.21
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1,CHEMBL591710,6.68
+Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL592679,5.67
+COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL590033,6.0
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1,CHEMBL600232,6.45
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1,CHEMBL602722,6.31
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(OC)cc2)s1,CHEMBL590301,7.01
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1,CHEMBL603129,6.69
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,6.7
+COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC,CHEMBL589080,9.395
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1081811,6.48
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1081812,5.87
+O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1,CHEMBL1081971,5.43
+O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1,CHEMBL1076562,6.21
+N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1,CHEMBL1079801,6.49
+O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1,CHEMBL1079803,5.73
+Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1,CHEMBL1082005,6.72
+O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1,CHEMBL1082171,5.31
+O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1082028,6.09
+O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1,CHEMBL1076587,6.15
+CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1,CHEMBL1082208,6.33
+O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1,CHEMBL1080513,5.2
+Cn1cc2c(nc(N)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091031,7.12
+Cn1cc2c(nc(N)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1090489,7.5
+Cn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1090810,7.14
+Cn1cc2c(nc(N)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1090811,7.41
+COc1ccc(-c2nc3c4cn(C)nc4nc(N)n3n2)cc1,CHEMBL1090812,7.78
+Cn1cc2c(nc(N)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1089427,6.18
+CCn1ncc2c1nc(N)n1nc(-c3ccc(Cl)cc3)nc21,CHEMBL1093430,6.25
+CCn1cc2c(nc(N)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1089131,7.16
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1093431,7.12
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1093432,7.3
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1089887,7.1
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Br)cc3)nn12,CHEMBL1089902,6.66
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(N)n3n2)cc1,CHEMBL1089903,7.6
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1089904,8.3
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1091134,8.46
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1089905,8.55
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1090241,8.28
+COc1ccc(-c2nc3c4cn(C)nc4nc(NC(=O)c4ccccc4)n3n2)cc1,CHEMBL1090242,8.68
+Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1090243,7.25
+COc1ccc(-c2nc3c4cn(C)nc4nc(N(C(=O)c4ccccc4)C(=O)c4ccccc4)n3n2)cc1,CHEMBL1091963,8.16
+Cn1cc2c(nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1093201,8.16
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12)c1ccccc1,CHEMBL1093202,7.62
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Br)cc3)nn12)c1ccccc1,CHEMBL1091267,6.82
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccccc4)nc23)n1,CHEMBL1091268,9.97
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1,CHEMBL1091640,9.7
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1091641,9.61
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1091937,9.46
+COc1ccc(-c2nc3c4cn(C)nc4nc(NC(=O)Cc4ccccc4)n3n2)cc1,CHEMBL1091938,9.62
+Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1,CHEMBL1090461,9.2
+Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1093313,6.31
+CSc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090123,5.59
+CN(C)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090124,5.14
+CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1090125,6.77
+CSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1090126,5.38
+COc1ccc(CC(=O)Nc2nc(SC)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1090806,5.68
+CSc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092868,6.38
+CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092869,5.66
+O=C(Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL1092870,5.36
+O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1088770,5.99
+COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089438,5.28
+CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1089439,5.66
+O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1089440,6.2
+Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089441,6.12
+CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089112,6.33
+CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089113,5.98
+COc1ccc(CC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089463,5.57
+CCCCCC(=O)Nc1nc(N(C)C)nc2nc(-c3ccco3)nn12,CHEMBL1089798,5.66
+CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089799,6.51
+Cc1ccc(NC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089480,5.02
+Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL1098439,5.52
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1,CHEMBL1098108,9.74
+Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL1096754,9.22
+COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1,CHEMBL1096078,8.54
+O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1,CHEMBL1094143,8.52
+O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1,CHEMBL1094131,8.43
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1094132,8.54
+Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(-c3ccccc3)nc2n1,CHEMBL1098109,8.23
+Cn1cc2c(NC(=O)Nc3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL1098445,7.68
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1cccc(Cl)c1,CHEMBL1096409,7.65
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1096410,7.44
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1,CHEMBL1099102,7.66
+Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(-c3ccccc3)nc2n1,CHEMBL1098759,7.54
+O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1,CHEMBL1098075,7.36
+Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1094987,7.03
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(CCc4ccccc4)cc23)cc1,CHEMBL1097050,7.34
+O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12,CHEMBL1097736,6.92
+Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL1097737,6.3
+Cn1cc2c(N)nc(-c3ccccc3)nc2n1,CHEMBL1096753,6.04
+COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1,CHEMBL1098758,6.45
+Cc1ccc(-c2ncc3[nH]c(=O)n(Cc4ccccc4)c3n2)cc1,CHEMBL1099202,6.4
+Cc1ccc(-c2nc(C(=O)Nc3ccccn3)c3n2CCCCC3)cc1,CHEMBL1097859,5.5
+CC1(C)NC(C)(C)c2cc(NC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21,CHEMBL1098183,6.55
+CC1(C)c2ccc(CNC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL1098184,6.55
+CC1(C)CC(NC2N=CNc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1[O],CHEMBL1094353,5.07
+CC1(C)CC(NC2N=CNc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC(C)(C)N1,CHEMBL1098507,4.6
+CC(C)(C)c1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C(C)(C)C)c1[O],CHEMBL1098520,7.52
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098521,6.28
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)NC5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099126,7.15
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099127,6.49
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC(C)(C)N([O])C(C)(C)C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099128,5.38
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC(C)(C)NC(C)(C)C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1099129,5.61
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC4CC(C)(C)N([O])C4(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098400,5.99
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4cc(C(C)(C)C)c([O])c(C(C)(C)C)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1098715,8.05
+CC1(C)c2ccc(NC3N=CNc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2C(C)(C)N1[O],CHEMBL1097549,9.1
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(C(C)(C)C)c([O])c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094994,7.35
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094995,8.65
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094996,8.37
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5ccc6c(c5)C(C)(C)N([O])C6(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094997,7.6
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094998,8.25
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1094999,8.04
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1095000,8.3
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(NC(=O)CCC(=O)NCCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1095001,8.65
+CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12,CHEMBL1170367,7.1
+Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1,CHEMBL1210734,5.55
+CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1258076,5.31
+Cc1nn(C(C)c2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12,CHEMBL1277207,5.33
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1277040,8.14
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1277130,9.48
+Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)COC4)n3nc(-c4ccco4)nc23)n1,CHEMBL1644525,6.62
+CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)COC4)n3nc(-c4ccco4)nc23)n1,CHEMBL1644526,6.57
+CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)COC4)n3nc(-c4ccco4)nc23)n1,CHEMBL1644692,6.52
+CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)COC4)n3nc(-c4ccco4)nc23)n1,CHEMBL1644693,6.3
+CC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,CHEMBL1650142,7.33
+CCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,CHEMBL1650143,6.8
+CCCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,CHEMBL1650144,6.88
+CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1,CHEMBL1650152,5.35
+CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1,CHEMBL1650164,6.55
+CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650172,7.0
+CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650173,6.9
+CCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650174,6.12
+CCC(=O)Nc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1,CHEMBL1650176,6.85
+CCC(=O)Nc1nc(-c2ccco2)cc(-c2ccco2)n1,CHEMBL1650341,5.72
+CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1,CHEMBL1650347,5.89
+CC(=O)Nc1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1,CHEMBL1650349,8.36
+CCC(=O)Nc1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1,CHEMBL1650350,7.74
+CCCC(=O)Nc1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1,CHEMBL1650351,7.23
+CC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1,CHEMBL1650352,6.9
+COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL1650355,8.44
+CCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1,CHEMBL1650356,8.44
+CCCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1,CHEMBL1650357,7.96
+CSc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(SC)cc3)n2)cc1,CHEMBL1650358,7.15
+CCC(=O)Nc1cc(-c2ccc(SC)cc2)nc(-c2ccc(SC)cc2)n1,CHEMBL1650359,7.36
+CC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1,CHEMBL1650361,7.6
+CCC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1,CHEMBL1650362,7.36
+CCCC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1,CHEMBL1650363,6.88
+CC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650364,7.78
+CCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650365,7.92
+CCCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1,CHEMBL1650366,7.46
+CC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1,CHEMBL1650367,7.2
+CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1,CHEMBL1650368,7.6
+CCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1,CHEMBL1650369,6.99
+CC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650370,7.74
+CCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650371,6.8
+CCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1,CHEMBL1650372,6.87
+COc1ccccc1-c1cc(NC(C)=O)nc(-c2ccccc2OC)n1,CHEMBL1650373,7.62
+CCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1,CHEMBL1650374,7.63
+CCCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1,CHEMBL1650375,6.96
+COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3OC)n2)c(OC)c1,CHEMBL1650376,8.27
+CCC(=O)Nc1cc(-c2ccc(OC)cc2OC)nc(-c2ccc(OC)cc2OC)n1,CHEMBL1650377,7.95
+CCCC(=O)Nc1cc(-c2ccc(OC)cc2OC)nc(-c2ccc(OC)cc2OC)n1,CHEMBL1650378,7.99
+CC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650379,8.48
+CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650380,7.84
+CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,CHEMBL1650381,7.23
+CC(=O)Nc1cc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1,CHEMBL1650382,7.81
+CCC(=O)Nc1cc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1,CHEMBL1650383,7.33
+CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650384,8.52
+CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650385,8.21
+CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1,CHEMBL1650386,8.0
+CC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650387,8.1
+CCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650388,7.66
+CCCC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1,CHEMBL1650389,7.64
+CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650390,8.0
+CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1,CHEMBL1650391,7.9
+CC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650393,7.69
+CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1,CHEMBL1650394,7.19
+COc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL1650396,7.91
+CCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1,CHEMBL1650397,7.24
+COc1ccc(-c2cc(NC(=O)C3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL1650398,7.49
+COc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3OC)n2)c(OC)c1,CHEMBL1650399,7.8
+CCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2OC)nc(-c2ccc(OC)cc2OC)n1,CHEMBL1650400,7.28
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1,CHEMBL1672611,6.4
+CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672612,5.81
+CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672613,6.43
+CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1,CHEMBL1672614,5.72
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1,CHEMBL1672615,5.36
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1,CHEMBL1672616,5.39
+Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1,CHEMBL1672619,6.43
+O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1,CHEMBL1672623,6.49
+O=C(Nc1cnc(-c2ccncc2F)c(-c2ncco2)n1)C1CC1,CHEMBL1672632,6.05
+CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1688378,7.93
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1688379,7.88
+CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL1688380,7.7
+CCCC/C=C/c1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O,CHEMBL1688381,6.59
+O=C(Nc1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1,CHEMBL1766267,5.96
+O=C(Nc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12,CHEMBL1766271,6.75
+COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1,CHEMBL1766352,7.22
+COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1,CHEMBL1766353,8.01
+COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12,CHEMBL1766354,8.05
+COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1,CHEMBL1766358,9.11
+O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12,CHEMBL1766359,7.53
+COc1ccccc1CNC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12,CHEMBL1766360,6.56
+Cn1cc2c(nc(NC(=O)N[n+]3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL1771603,11.0
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12,CHEMBL1770311,8.07
+Nc1nc2c(cnn2CCCc2ccc(OCCCF)cc2)c2nc(-c3ccco3)nn12,CHEMBL1771804,5.88
+NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771807,5.4
+NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771808,5.48
+C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL1771811,5.89
+CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)nn1,CHEMBL1770169,6.52
+Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc12,CHEMBL1795502,6.3
+Cn1cc2c(n1)c(=O)[nH]c1c(OCc3ccccc3)cccc12,CHEMBL1795500,6.22
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800733,8.34
+C=CCN1C(=O)N2C[C@@H](C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800734,8.3
+C=CCN1C(=O)N2C[C@H](C)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800735,8.22
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(C)nn3C)[nH]c21,CHEMBL1800736,8.52
+Cc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2CC(C)N=C32)n(C)n1,CHEMBL1800737,7.76
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800738,7.99
+CC[C@@H]1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800739,7.9
+CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)nn4C)nc3C2=N1,CHEMBL1800740,7.88
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800781,8.63
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800782,8.71
+C=CCN1C(=O)N2C[C@@H](CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800783,8.84
+C=CCN1C(=O)N2C[C@H](CC)N=C2c2nc(-c3cc(OC)nn3C)[nH]c21,CHEMBL1800784,8.63
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2CC(C)N=C32)n(C)n1,CHEMBL1800785,8.51
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2C[C@@H](C)N=C32)n(C)n1,CHEMBL1800786,8.62
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2C[C@H](C)N=C32)n(C)n1,CHEMBL1800787,8.6
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OC)nn4C)nc3C2=N1,CHEMBL1800788,8.41
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(OCc4ccccc4)nn3C)[nH]c21,CHEMBL1800789,7.61
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OCc4ccccc4)nn3C)[nH]c21,CHEMBL1800790,7.67
+CC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800791,7.35
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OCc5ccccc5)nn4C)nc3C2=N1,CHEMBL1800792,7.4
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(C)n(C)n3)[nH]c21,CHEMBL1800793,7.86
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(C)n(C)n3)[nH]c21,CHEMBL1800794,7.9
+C=CCN1C(=O)N2C[C@@H](C)N=C2c2nc(-c3cc(C)n(C)n3)[nH]c21,CHEMBL1800795,7.91
+C=CCN1C(=O)N2C[C@H](C)N=C2c2nc(-c3cc(C)n(C)n3)[nH]c21,CHEMBL1800796,8.04
+Cc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2CC(C)N=C32)nn1C,CHEMBL1800797,7.91
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(C)n(C)n4)nc3C2=N1,CHEMBL1800798,7.82
+C=CCN1C(=O)N2CC(C)N=C2c2nc(-c3cc(OC)no3)[nH]c21,CHEMBL1800861,8.45
+C=CCN1C(=O)N2CC(CC)N=C2c2nc(-c3cc(OC)no3)[nH]c21,CHEMBL1800862,8.71
+COc1cc(-c2nc3c([nH]2)N(Cc2ccccc2)C(=O)N2CC(C)N=C32)on1,CHEMBL1800863,8.57
+CCC1CN2C(=O)N(Cc3ccccc3)c3[nH]c(-c4cc(OC)no4)nc3C2=N1,CHEMBL1800864,8.57
+Cn1cc2c(nc(N)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834573,6.52
+Cn1cc2c(nc(N)n3nc(-c4ccc(-c5ccccc5)cc4)nc23)n1,CHEMBL1834621,6.83
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1834622,8.77
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1834623,8.6
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834624,8.46
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(-c5ccccc5)cc4)nc23)n1,CHEMBL1834625,8.23
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,CHEMBL1834626,8.28
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(Br)cc4)nc23)n1,CHEMBL1834627,8.76
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1,CHEMBL1834628,8.72
+Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc(-c5ccccc5)cc4)nc23)n1,CHEMBL1834629,8.39
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL1834630,8.88
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL1834694,8.71
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(C(F)(F)F)cc4)nn23)cc1,CHEMBL1834695,8.63
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(-c5ccccc5)cc4)nn23)cc1,CHEMBL1834696,8.68
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12)c1ccccc1,CHEMBL1834697,7.77
+O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1,CHEMBL1834698,7.94
+COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(NC(=O)c4ccccc4)n3n2)cc1,CHEMBL1834699,7.54
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccccc3)nn12,CHEMBL1834700,8.52
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(F)cc3)nn12,CHEMBL1834701,8.48
+Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(-c5ccco5)cc4)nc23)n1,CHEMBL1834703,9.8
+COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(-c5ccco5)cc4)nn23)cc1,CHEMBL1834704,9.7
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(-c4ccco4)cc3)nn12,CHEMBL1834705,6.52
+O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(-c4ccco4)cc3)nn12,CHEMBL1834706,7.35
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL282575,4.91
+CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,CHEMBL1016,6.16
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.71
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,6.33
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,4.78
+CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,CHEMBL388590,5.53
+S=C=Nc1cccc2ccccc12,CHEMBL1381098,5.46
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062,5.97
+Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,CHEMBL40583,5.5
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437,5.47
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.0
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,6.9
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,5.74
+CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CHEMBL64894,5.63
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.74
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1062,5.57
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496,6.44
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.53
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,CHEMBL1480,6.22
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063,5.09
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.17
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691,4.73
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672,5.49
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,5.76
+Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CHEMBL12131,7.27
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,4.86
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.57
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,6.7
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.9
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,5.52
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1479,5.2
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.57
+c1ccc2c(c1)Nc1ccccc1S2,CHEMBL828,4.84
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],CHEMBL1726,5.4
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,6.45
+Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,CHEMBL584,5.08
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.8
+CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,CHEMBL787,6.61
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,CHEMBL460291,5.64
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,5.38
+Oc1c(I)cc(I)c2cccnc12,CHEMBL86754,6.28
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,CHEMBL547,5.63
+COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,CHEMBL603,6.11
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,5.22
+O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,CHEMBL119385,5.32
+Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,CHEMBL408,5.53
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,CHEMBL38,5.53
+Nc1nc2nc[nH]c2c(=S)[nH]1,CHEMBL727,4.91
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221,5.83
+CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL18797,5.39
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.68
+C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL2079587,5.33
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,5.68
+COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,CHEMBL1219,5.74
+CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(-c3ccco3)nc2n1,CHEMBL1927425,5.07
+CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1927426,5.83
+Nc1nc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927434,5.51
+Nc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL1927442,5.9
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935743,7.3
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935744,7.26
+Nc1nc2cn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935745,6.91
+Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL1935746,6.62
+COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935747,7.82
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935748,8.0
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935749,7.92
+COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935750,7.89
+Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL1935751,6.95
+Cn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935752,6.13
+CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21,CHEMBL1935753,7.08
+Nc1nc2cnn(CCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935754,6.22
+Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12,CHEMBL1935755,6.1
+COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935756,7.21
+CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c21,CHEMBL1935757,6.79
+COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935758,6.68
+Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935760,6.9
+CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935761,6.36
+Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935762,6.5
+Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12,CHEMBL1935763,6.28
+COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935764,6.96
+CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1,CHEMBL1935765,7.3
+COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935766,6.5
+COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1,CHEMBL1935767,6.09
+Cn1ncc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3c21,CHEMBL1935768,6.29
+CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1945563,6.86
+CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1945564,6.24
+CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946290,6.82
+CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946291,7.17
+CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946292,6.66
+CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946294,6.82
+CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946295,7.62
+CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946296,7.62
+CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946297,7.41
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL1946298,6.66
+CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL1946299,7.5
+CCCC/C=C/c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O,CHEMBL1946301,7.03
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950653,6.89
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950654,6.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950655,6.85
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950656,6.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950657,5.84
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950658,6.1
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950659,6.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950660,6.66
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950661,6.59
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5ccccc5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950662,6.85
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950663,6.7
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950664,6.28
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950665,6.08
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5cnc[nH]5)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950666,6.49
+COc1cc(F)c(F)cc1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012693,7.39
+COc1ccc(F)c(F)c1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012692,7.08
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc21,CHEMBL2012691,7.78
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc21,CHEMBL2012690,6.94
+CCOc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012689,7.82
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3OCCF)nc(Cl)nc21,CHEMBL2012688,7.99
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3F)nc(Cl)nc21,CHEMBL2012687,7.38
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2012686,6.33
+CC(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2012685,6.96
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CC3)nc(Cl)nc21,CHEMBL2012684,8.05
+CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012683,7.28
+CC(C)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012682,7.92
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCCF)nc(Cl)nc21,CHEMBL2012681,7.49
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012679,6.63
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012678,6.5
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCCC3)nc(Cl)nc21,CHEMBL2012677,5.82
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCC3)nc(Cl)nc21,CHEMBL2012676,6.25
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21,CHEMBL2012675,6.3
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCC3)nc(Cl)nc21,CHEMBL2012674,8.23
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CC3)nc(Cl)nc21,CHEMBL2012673,7.92
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012672,6.8
+O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12,CHEMBL2030705,6.48
+O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12,CHEMBL2030704,6.15
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064635,9.07
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccccn4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064636,9.0
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccccc4F)nc31)[C@H](O)[C@@H]2O,CHEMBL2064637,9.01
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064638,9.01
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064639,9.28
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccccc4Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2064640,9.24
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(Cl)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064641,8.8
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064642,8.91
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Br)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064643,9.04
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(N)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064644,8.97
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064645,8.78
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cc(F)cc(F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064646,8.78
+CCc1ccc(C#Cc2nc(NC)c3ncn([C@H]4[C@H](O)[C@H](O)[C@]5(C(=O)NC)C[C@H]45)c3n2)cc1,CHEMBL2064647,8.42
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(C(C)(C)C)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064648,8.0
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(C(C)=O)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064649,8.59
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(-c5ccccc5)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064650,8.51
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc5ccccc45)nc31)[C@H](O)[C@@H]2O,CHEMBL2064651,8.78
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cc5ccccc5c5ccccc45)nc31)[C@H](O)[C@@H]2O,CHEMBL2064652,8.46
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064653,8.87
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064654,8.67
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccccc4Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL2064655,8.72
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(Cl)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064656,8.35
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064657,8.46
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(N)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064658,8.64
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(C(=O)O)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064659,8.17
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(-c5ccccc5)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2064660,8.51
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc5ccc6cccc7ccc4c5c67)nc31)[C@H](O)[C@@H]2O,CHEMBL2064661,7.17
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cc5cccc6ccc7cccc4c7c65)nc31)[C@H](O)[C@@H]2O,CHEMBL2064634,6.18
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2070398,6.15
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCO)[C@@H](O)[C@H]1O,CHEMBL1234591,5.02
+Cn1cc2c(nc(NC(=O)NC3CCNCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070880,7.19
+CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070881,6.6
+CCCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070882,7.15
+C=CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070883,7.29
+C#CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2070884,7.6
+Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070885,8.01
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070886,7.52
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070887,7.62
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070888,7.59
+Cc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2070889,7.86
+COc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2070890,7.88
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070891,7.93
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070892,7.91
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4cccnc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070893,7.36
+Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2070894,7.41
+CCOC(=O)CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071038,7.91
+CCNC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071039,7.52
+CC(C)NC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2071040,8.01
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071041,8.03
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071042,7.86
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCCC4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071043,8.11
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071044,8.09
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2069325,8.17
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071045,7.84
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071046,8.31
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071047,7.6
+Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2071048,8.41
+COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1,CHEMBL2071049,7.98
+Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2071050,7.68
+CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1,CHEMBL2071051,7.51
+CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089335,8.26
+CNc1nc(C#Cc2ccccc2Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089336,8.49
+CON=c1[nH]c(C#Cc2ccccc2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089337,7.89
+CON=c1[nH]c(C#Cc2ccccc2Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089338,8.07
+CCNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089339,8.3
+CCNc1nc(C#Cc2ccccc2Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2089340,8.24
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccccc3)nc21,CHEMBL2089341,7.41
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccc(F)c(F)c3)nc21,CHEMBL2089342,7.0
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccccc3Cl)nc21,CHEMBL2089343,7.15
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3cccc(Cl)c3)nc21,CHEMBL2089344,6.68
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccc(-c4ccccc4)cc3)nc21,CHEMBL2089345,7.27
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(C#Cc3ccccc3)nc21,CHEMBL2089346,7.7
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(C#Cc3ccccc3Cl)nc21,CHEMBL2089347,7.43
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C#Cc3ccccc3)nc21,CHEMBL2089348,6.7
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C#Cc3ccc(F)c(F)c3)nc21,CHEMBL2089349,6.47
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C#Cc3ccccc3Cl)nc21,CHEMBL2089350,6.85
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C#Cc3cccc(Cl)c3)nc21,CHEMBL2089351,6.59
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C#Cc3ccc(-c4ccccc4)cc3)nc21,CHEMBL2089352,5.88
+Cn1c(=O)c2c(nc3n2CCCN3C23CC4CC(CC(C4)C2)C3)n(C)c1=O,CHEMBL2153611,5.89
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153603,5.78
+C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151249,5.59
+C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151250,5.48
+Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151251,5.85
+C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151252,5.6
+C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151253,5.59
+CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151254,6.3
+CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151255,5.72
+Cc1cccc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151256,5.82
+O=C(COc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151257,5.64
+Cc1ccccc1OCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151258,6.0
+Cc1cccc(C)c1OCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151259,5.26
+O=C(COc1ccc2c(c1)CCC2)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151260,5.66
+Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccccc3)[nH]2)c1,CHEMBL2151261,5.57
+C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151262,5.72
+O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151263,5.08
+O=C(COCc1ccccc1)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151264,5.34
+O=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)[nH]1,CHEMBL2151265,5.82
+COc1ccccc1OCC(=O)Nc1nnc(-c2ccc(C)cc2)[nH]1,CHEMBL2151117,6.0
+Cc1ccc(-c2nnc(NC(=O)COc3ccccc3)[nH]2)cc1,CHEMBL2151118,5.49
+Cc1cccc(-c2nnc(NC(=O)C(C)Oc3ccccc3)[nH]2)c1,CHEMBL2151120,5.23
+Cc1cccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)[nH]2)c1,CHEMBL2151121,5.2
+Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccco3)[nH]2)cc1,CHEMBL2151123,5.28
+CC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151124,6.52
+CCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151125,6.52
+CCCC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151126,6.7
+O=C(Nc1nnc(-c2ccccc2)[nH]1)C1CCCO1,CHEMBL2151127,5.51
+O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccccc1,CHEMBL2151128,6.52
+Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151129,7.0
+O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1,CHEMBL2151130,6.7
+COc1ccccc1C(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151131,6.22
+COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2)[nH]1,CHEMBL2151132,6.52
+COc1ccc(CC(=O)Nc2nnc(-c3ccccc3)[nH]2)cc1,CHEMBL2151133,6.0
+COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163561,6.35
+O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2163560,5.89
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,CHEMBL1487093,6.36
+NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL1512545,7.91
+O=C(O)c1cnn(-c2nc(NC(C3CC3)C3CC3)c3ncn([C@H]4[C@H](O)[C@H](O)[C@@H]5C[C@@H]54)c3n2)c1,CHEMBL2170799,6.19
+COC(=O)c1cnn(-c2nc(NC(C3CC3)C3CC3)c3ncn([C@H]4[C@H](O)[C@H](O)[C@@H]5C[C@@H]54)c3n2)c1,CHEMBL2170798,6.31
+NNc1nc(NC(C2CC2)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL2170797,7.15
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(I)nc21,CHEMBL2170796,6.74
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)ncnc21,CHEMBL2170795,7.77
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](c3ccccc3)C3CC3)nc(Cl)nc21,CHEMBL2170794,5.66
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](c3ccccc3)C3CC3)nc(Cl)nc21,CHEMBL2170793,6.1
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170792,6.26
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170791,5.75
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170790,5.55
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](C3CCC3)C3CC3)nc(Cl)nc21,CHEMBL2170789,5.53
+CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170788,5.76
+CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170787,6.11
+CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170786,6.11
+CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1,CHEMBL2170785,6.82
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2170800,6.17
+OC[C@H]1O[C@@H](n2cnc3c(C(F)(F)F)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2181968,7.49
+COc1ccn2c(c1)nc1c2c(=O)n(CC2CC2)c(=O)n1Cc1ccc(C)cc1,CHEMBL2181964,8.66
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1F,CHEMBL2181967,7.12
+O=C1NCCC12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL2181969,7.535
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181973,8.1
+Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1,CHEMBL2181977,8.22
+CNC(=O)[C@]1(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)SC[C@H](O)[C@@H]1O,CHEMBL2177153,8.37
+CNc1nc(C#N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2181972,8.47
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181970,8.72
+OC[C@H]1O[C@@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181971,9.04
+COc1ccc(-c2nsc(NC(C)=O)n2)cc1,CHEMBL2181975,9.1
+Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1,CHEMBL2181976,9.44
+CCCN1C(=O)N2CCN=C2c2nc(-c3ccc(Br)cc3)[nH]c21,CHEMBL2181965,9.7
+Cn1cc2c(nc(NC(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180906,9.08
+Cn1cc2c(nc(N3CCOCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180909,6.29
+CN1CCN(c2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1,CHEMBL2180908,5.88
+Cn1cc2c(nc(N3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180907,7.42
+Cn1cc2c(nc(N3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180927,7.45
+CCN(CCO)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180926,5.87
+Cn1cc2c(nc(N(Cc3ccccc3)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180925,6.39
+CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180924,7.74
+CN(c1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C1CCCCC1,CHEMBL2180923,7.49
+CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180922,6.08
+CCN(CC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180921,7.02
+CCCCN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180920,7.44
+CN(C)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180919,6.4
+Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180918,7.41
+COCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180917,6.61
+CON=c1[nH]c2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180916,6.39
+Cn1cc2c(nc(NCCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180915,6.81
+Cn1cc2c(nc(NCCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180914,6.87
+Cn1cc2c(nc(NCCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180913,6.6
+Cn1cc2c(nc(NC(CO)CO)n3nc(-c4ccco4)nc23)n1,CHEMBL2180912,6.27
+CCC(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180911,7.2
+CC(O)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2180910,6.45
+Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181143,6.62
+Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1,CHEMBL2181142,6.51
+Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1,CHEMBL2181141,7.51
+CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181140,7.42
+COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2181139,7.42
+Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180940,7.28
+Cn1cc2c(nc(NCc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180939,6.73
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,CHEMBL2180938,7.68
+Cn1cc2c(nc(NCc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180937,7.83
+Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180936,8.31
+Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180935,8.7
+COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180934,8.16
+Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL2180933,8.97
+C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180932,8.43
+C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL2180931,9.52
+Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL2180930,8.6
+Cn1cc2c(nc(NC3C4CC5CC(C4)CC3C5)n3nc(-c4ccco4)nc23)n1,CHEMBL2180929,7.73
+Cn1cc2c(nc(NC34CC5CC(CC(C5)C3)C4)n3nc(-c4ccco4)nc23)n1,CHEMBL2180928,7.42
+Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181164,7.33
+Cn1cc2c(nc(NC3CCCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181163,7.81
+Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181162,7.81
+Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181161,8.07
+Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181160,8.11
+Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181159,7.75
+Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1,CHEMBL2181158,7.16
+Cn1cc2c(nc(NC(C)(C)C(C)(C)C)n3nc(-c4ccco4)nc23)n1,CHEMBL2181157,6.89
+CCCCC(CC)CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181156,8.42
+CCCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181155,7.62
+CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181154,8.06
+CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181153,7.84
+CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181152,8.23
+CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181151,7.96
+CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181150,8.28
+CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181149,7.47
+CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181148,7.35
+CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181147,7.2
+CCOc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181146,6.74
+COc1nc2nn(C)cc2c2nc(-c3ccco3)nn12,CHEMBL2181145,6.09
+Cn1cc2c(nc(Cl)n3nc(-c4ccco4)nc23)n1,CHEMBL2181144,6.44
+Cn1cc2c(nc(=O)n3nc(-c4ccco4)nc23)[nH]1,CHEMBL2181165,5.28
+COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)c(F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2261342,5.5
+O[C@@H]1[C@@H](CF)O[C@@H](n2cnc3c(NC4CCOCC4)ncnc32)[C@@H]1O,CHEMBL2261343,5.6
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2163568,5.6
+Nc1ccccc1-c1cc(-c2cccs2)[nH]n1,CHEMBL2312731,6.22
+COc1ccc(-c2cc(-c3ccccc3N)n[nH]2)cc1,CHEMBL2312729,6.32
+Nc1ccccc1-c1cc(-c2ccccc2)n[nH]1,CHEMBL2312728,6.17
+O=C(Nc1nc2ccccc2c2cc(-c3ccccc3)nn12)c1ccccc1,CHEMBL2312727,6.28
+CCOC(=O)c1nn2c(=O)[nH]c3ccccc3c2c1C(=O)OCC,CHEMBL2312722,7.0
+CC(C)OC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1,CHEMBL99541,6.35
+CCOC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1,CHEMBL267929,6.5
+COC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1,CHEMBL98213,6.36
+O=c1[nH]c2ccccc2c2cc(-c3ccccn3)nn12,CHEMBL327498,6.6
+O=c1[nH]c2ccccc2c2cc(-c3cccs3)nn12,CHEMBL101818,7.4
+O=c1[nH]c2ccccc2c2cc(-c3ccco3)nn12,CHEMBL330394,7.1
+O=c1[nH]c2ccccc2c2cc(-c3ccccc3F)nn12,CHEMBL431620,6.85
+O=c1[nH]c2ccccc2c2cc(-c3ccc(Cl)cc3)nn12,CHEMBL330664,7.64
+Cc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1,CHEMBL99193,7.6
+COc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1,CHEMBL2312719,7.0
+COc1cc(-c2cc(NC(C)=O)nc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC,CHEMBL2312112,7.58
+COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-c3cc(OC)cc(OC)c3)n2)c1,CHEMBL2312111,7.26
+COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)c(OC)c3)n2)cc1OC,CHEMBL2312110,8.28
+COc1ccc(OC)c(-c2cc(NC(C)=O)nc(-c3cc(OC)ccc3OC)n2)c1,CHEMBL2311746,8.2
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC,CHEMBL2311745,7.37
+COc1ccc(/C=C/c2cc(NC(C)=O)nc(/C=C/c3ccc(OC)cc3)n2)cc1,CHEMBL2311744,6.29
+CCOc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OCC)cc3)n2)cc1,CHEMBL2311743,7.4
+CC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)n1,CHEMBL2311742,6.41
+COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1,CHEMBL2311741,8.55
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl,CHEMBL2326829,7.29
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2326828,6.95
+Nc1nc(N/N=C/c2ccc(Cl)cc2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326844,6.88
+Nc1nc(N/N=C/c2ccc(Cl)c(Cl)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326843,7.05
+Nc1nc(N/N=C/c2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326842,7.14
+O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322911,7.12
+Cc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322910,7.48
+Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322909,7.48
+COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1,CHEMBL2322908,7.62
+COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1,CHEMBL2322907,7.74
+COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(C)=O)c3n2)cc1,CHEMBL2322906,7.01
+COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccco4)c3n2)cc1,CHEMBL2322905,7.35
+COc1ccc(-n2cc3nc(C)nc(NC(=O)Cc4ccccc4)c3n2)cc1,CHEMBL2322904,6.28
+COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1,CHEMBL2322903,7.46
+COc1ccc(-n2cc3nc(C)nc(NC(C)=O)c3n2)cc1,CHEMBL2322902,7.0
+O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccncc1,CHEMBL2322901,7.6
+O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1cccnc1,CHEMBL2322900,8.49
+O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccco1,CHEMBL2322899,7.62
+O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322898,7.74
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3cn(-c4ccccc4)nc23)cc1,CHEMBL2322931,8.14
+O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccccc1,CHEMBL2322930,7.7
+CC(=O)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12,CHEMBL2322929,7.49
+Cc1nc(NC(=O)c2ccncc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322928,8.28
+Cc1nc(NC(=O)c2cccnc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322927,8.28
+Cc1nc(NC(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322926,7.7
+Cc1nc(NC(=O)Cc2ccccc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322925,6.92
+COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1,CHEMBL2322924,8.62
+Cc1nc(NC(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1,CHEMBL2322923,8.25
+CC(=O)Nc1nc(C)nc2cn(-c3ccccc3)nc12,CHEMBL2322922,6.52
+COc1ccc(-n2cc3nc(-c4ccccc4)nc(N)c3n2)cc1,CHEMBL2322920,7.12
+Nc1nc(Cn2nnc(-c3ccccc3)n2)nc(Nc2ccccc2)n1,CHEMBL2347371,7.4
+O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1,CHEMBL2382423,7.04
+Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1,CHEMBL2382420,6.83
+COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382439,6.94
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,6.8
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,6.42
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,6.76
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,6.41
+Nc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)nc2sc3c(c12)CCCC3,CHEMBL2391836,4.44
+O=C(Nc1nc(-c2ccccc2)c(-c2nc(=O)c3ccccc3[nH]2)s1)c1ccco1,CHEMBL2391839,5.41
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391842,5.58
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)c4c(C)c(C)sc4n3)s2)cc1,CHEMBL2391845,5.61
+O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1,CHEMBL2391833,5.69
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1)c1ccco1,CHEMBL2391832,5.73
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)c4c(C)c(C)sc4n3)s2)cc1,CHEMBL2391846,5.86
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1,CHEMBL2391831,6.02
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1,CHEMBL2391837,6.04
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)nc(N(C)C)n3)s2)cc1,CHEMBL2391843,6.09
+Cc1sc2nc(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391835,6.13
+Cc1sc2nc(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc(N)c2c1C,CHEMBL2391847,6.17
+CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1,CHEMBL2391844,6.25
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccn3)s2)cc1,CHEMBL2391840,6.7
+O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1,CHEMBL2391834,8.03
+O=S(=O)(O)c1ccc(CCNc2nc(C#Cc3ccccc3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)cc1,CHEMBL2402023,7.52
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(S(=O)(=O)O)cc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2402025,7.92
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(S(=O)(=O)O)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2401954,7.95
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(S(=O)(=O)O)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL2401955,8.72
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL2402024,8.91
+N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCCC(=O)Nc5nc6ccc(Cl)cc6c6nc(-c7ccco7)nn56)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O,CHEMBL2413248,8.19
+Cn1cc2c(nc(NCCCOCCOCCCOCCOCCCN=C(S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413254,5.14
+Cn1cc2c(nc(NCCOCCOCCN=C(S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413253,5.02
+Cn1cc2c(nc(NCCCCCNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413252,5.25
+Cn1cc2c(nc(NCCCCN=C(S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413251,6.14
+Cn1cc2c(nc(NCCCNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL2413250,5.62
+Cn1cc2c(nc(=NNC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1,CHEMBL2413249,6.1
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413115,7.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413114,8.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413113,7.62
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413112,6.41
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2413111,7.25
+Cc1ccc(NC(=O)Nc2ncnc3c2nc(-c2ccco2)n3C)cc1,CHEMBL3087714,4.42
+Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21,CHEMBL3087713,4.63
+Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1,CHEMBL3087712,6.04
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21,CHEMBL3087711,5.28
+Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21,CHEMBL3087710,6.71
+Cn1c(-c2ccco2)nc2c(NC(=O)c3ccc(-c4ccccc4)cc3)ncnc21,CHEMBL3087709,4.69
+Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21,CHEMBL3087708,5.71
+Nc1ncnc2c1nc(-c1ccco1)n2CCCO,CHEMBL3087707,5.37
+CCCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087706,6.1
+Nc1ncnc2c1nc(-c1ccco1)n2CCO,CHEMBL3087717,5.41
+Cn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087716,5.19
+CCn1c(-c2ccco2)nc2c(N)ncnc21,CHEMBL3087715,5.33
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)n(CCC)c1=O,CHEMBL3091481,5.8
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n(CCC)c1=O,CHEMBL3093221,6.27
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n(CCC)c1=O,CHEMBL3093219,6.12
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(c3ccccc3)CC2)n(CCC)c1=O,CHEMBL3093218,5.61
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(C)c1=O,CHEMBL241618,4.82
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(CC)c1=O,CHEMBL3093227,5.2
+CCn1c(=O)c2c(nc3n2CCCN3CCc2cccc(OC)c2)n(CC)c1=O,CHEMBL3093226,5.47
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2OC)n(CC)c1=O,CHEMBL3093225,5.52
+CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(CC)c1=O,CHEMBL3093224,5.17
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O,CHEMBL3093311,5.36
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C(C)C)cc2)n(C)c1=O,CHEMBL3093333,6.0
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093328,4.88
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,5.64
+Cn1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114145,4.47
+Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114144,4.5
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114151,4.52
+CC(C)n1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114164,4.57
+Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114143,4.63
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(C)nc3n2)cc1,CHEMBL3114146,4.87
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1,CHEMBL3114147,4.89
+O=C(Cc1ccccc1)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114166,4.94
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114165,4.96
+CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114149,4.99
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccccc1,CHEMBL3114155,5.07
+Cn1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114159,5.15
+CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114160,5.17
+Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1,CHEMBL3114163,5.18
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1,CHEMBL3114153,5.18
+CC(C)(C)Cn1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1,CHEMBL3114161,5.19
+CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1,CHEMBL3114152,5.23
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CC(C)(C)C)nc3n2)cc1,CHEMBL3114154,5.3
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(Cl)c2cn(CCc3ccccc3)nc2n1,CHEMBL3114162,5.54
+O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccc(C(F)(F)F)cc1,CHEMBL3114157,5.55
+Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CCc4ccccc4)nc3n2)cc1,CHEMBL3114158,5.82
+CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3114167,5.89
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3114168,6.05
+CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121720,8.03
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O,CHEMBL3121728,8.16
+CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL3121721,8.17
+Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O,CHEMBL3121722,8.19
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O,CHEMBL3121724,8.34
+Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O,CHEMBL3121723,8.56
+Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O,CHEMBL3121727,8.64
+CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125719,7.8
+CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125718,8.11
+CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125717,8.07
+CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125716,7.92
+CCCCC#Cc1nc(NC2CCCC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125715,6.8
+CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125714,8.04
+CCCCC#Cc1nc(NCC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125713,8.17
+CCCCC#Cc1nc(NC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125712,8.31
+CCCCC#Cc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,CHEMBL3125711,7.79
+CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2,CHEMBL3238246,5.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950649,7.35
+COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,CHEMBL2105747,5.8
+O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1,CHEMBL411329,5.16
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1,CHEMBL261203,5.83
+Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1,CHEMBL259832,5.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335523,6.68
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[N-][N+]#N)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335524,5.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335525,5.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3335526,6.77
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCCC2)nn1Cc1ccccc1,CHEMBL3359407,6.51
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1,CHEMBL3359410,7.19
+O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCC2)nn1Cc1ccccc1,CHEMBL3359412,6.71
+COc1ccc(-c2nc3cnc4ccc(C)cc4n3n2)cc1,CHEMBL3356374,7.58
+Cc1ccc2ncc3nc(-c4ccccc4)nn3c2c1,CHEMBL3356373,7.62
+c1ccc(-c2nc3cnc4ccccc4n3n2)cc1,CHEMBL3356372,7.04
+Clc1ccc2ncc3nc(-c4ccccc4)nn3c2c1,CHEMBL3356371,7.82
+COc1ccc(-c2nc(NC(=O)Nc3ccccc3)n(-c3ccccc3)n2)cc1,CHEMBL3356370,6.26
+COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)OCc2ccccc2)C3)cc1,CHEMBL3355979,6.64
+COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1,CHEMBL3355978,7.26
+C#CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21,CHEMBL3355977,7.63
+CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21,CHEMBL3355976,7.4
+CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21,CHEMBL3355975,7.6
+CCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355974,6.77
+CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355973,7.9
+COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355972,7.5
+CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21,CHEMBL3355971,8.19
+COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21,CHEMBL3355969,6.61
+CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21,CHEMBL3355967,6.78
+CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21,CHEMBL3352852,7.14
+COc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1,CHEMBL3317560,6.24
+Nc1nc(Cc2ccccc2O)nc2cn(-c3ccccc3)nc12,CHEMBL3317554,7.01
+Nc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12,CHEMBL3317568,6.36
+O=[N+]([O-])c1cccc(C2CC2Nc2nc(C#Cc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,CHEMBL3311283,7.95
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL3311282,9.07
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311284,8.82
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311285,8.21
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4cccc(C)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311286,7.75
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4cccc(F)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311287,7.78
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4cccc(Cl)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311382,7.95
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4cccc(Br)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311383,7.84
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccc(F)c(F)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311384,7.69
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311385,7.77
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@@H]4c4ccc(F)c(F)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311386,8.34
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(C#Cc4ccccn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311387,8.09
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@@H]4c4ccc(F)c(F)c4)nc(C#Cc4ccccn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3311388,8.14
+CCOC(=O)c1cnc(SC)n2nc(-c3ccco3)nc12,CHEMBL3314870,5.58
+CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314871,7.41
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314872,6.8
+CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12,CHEMBL3314873,6.55
+COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(-c4ccco4)nn23)cc1OC,CHEMBL3314874,7.06
+CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314875,6.22
+Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3313941,6.85
+CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12,CHEMBL3314876,6.62
+CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314877,6.14
+CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314878,4.73
+CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314879,5.92
+O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314880,5.87
+O=C(Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12)NC1CCCCC1,CHEMBL3314881,5.37
+O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL3314882,6.26
+CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314883,6.45
+C=C(OCC)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314884,5.6
+CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314885,5.59
+O=C(Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12)NC1CCCCC1,CHEMBL3314886,4.23
+CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12,CHEMBL3314887,8.38
+CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314888,8.48
+CCCCCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314889,7.95
+CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314890,8.02
+CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12,CHEMBL3314891,7.41
+CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314892,8.02
+CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314893,7.46
+CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314894,7.39
+CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314895,8.0
+CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314896,7.25
+CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314897,7.24
+CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314898,7.33
+CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314899,7.25
+CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314900,6.49
+CCOC(=O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314901,6.06
+CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314902,6.47
+CCOC(=O)c1cnc(NC2CCC2)n2nc(-c3ccco3)nc12,CHEMBL3314903,7.93
+CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314904,6.49
+C=C(CCC)C1=CC=C(CC2CCCCCCC2)C2C=C(C3=CC=CC3)C=C12,CHEMBL3314905,6.29
+CCOC(=O)c1cnc(N2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314906,6.08
+CCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314907,5.75
+CCOC(=O)c1cnc(NCCOC)n2nc(-c3ccco3)nc12,CHEMBL3314908,6.98
+CCOC(=O)c1cnc(N(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314909,6.56
+CCOC(=O)c1cnc(N2CCOCC2)n2nc(-c3ccco3)nc12,CHEMBL3314910,5.06
+CCOC(=O)c1cnc(NC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314911,6.88
+CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12,CHEMBL3314913,7.61
+CCOC(=O)c1c[nH]c(=NOC)n2nc(-c3ccco3)nc12,CHEMBL3314914,5.92
+CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314915,4.8
+CCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314916,6.32
+CCCCCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314917,4.58
+CC(C)Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314918,4.76
+CCCCC(CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12,CHEMBL3314919,4.79
+O=C(O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12,CHEMBL3314920,6.78
+O=C(O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314921,4.75
+O=C(O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12,CHEMBL3314922,4.8
+O=C(O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314923,5.65
+Cc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314924,6.12
+COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1,CHEMBL3314925,5.26
+O=C(O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314926,4.85
+O=C(O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314927,4.94
+O=C(O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314928,4.8
+O=C(O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12,CHEMBL3314929,4.55
+O=C(O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12,CHEMBL3314930,5.68
+COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1OC[C@](O)(CO)[C@H]1O,CHEMBL3311505,6.01
+COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1OC[C@@](O)(CO)[C@H]1O,CHEMBL3311508,5.51
+Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)c(OC(C)C)c1,CHEMBL3318019,6.25
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403724,5.39
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2c1CCCC2,CHEMBL3403725,5.09
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2c1CCCC2,CHEMBL3403726,5.67
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2c1CCCC2,CHEMBL3403727,6.28
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2,CHEMBL3403728,5.39
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2c1CCCC2,CHEMBL3403729,5.33
+CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2,CHEMBL3403731,4.45
+Cc1ccc(Nc2nc(N(C)C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1,CHEMBL3403732,4.47
+Cc1ccc(Nc2nc(N(C)C)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)cc1,CHEMBL3403733,5.15
+Cc1ccc(-c2nc(Nc3ccccc3)sc2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,CHEMBL3403734,6.48
+COc1ccc(Nc2nc(-c3ccc(C)cc3)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1,CHEMBL3403736,5.02
+COc1ccc(Nc2nc(-c3ccc(C)cc3)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)cc1,CHEMBL3403737,6.48
+Cc1ccc(Nc2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1,CHEMBL3403738,5.41
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403739,5.56
+CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc(C(=O)OC)c1C,CHEMBL3403741,5.41
+CC(C)(C)Cn1cc2c(C(N)=O)nc(N)nc2n1,CHEMBL3410296,4.71
+NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410297,4.48
+CCOC(=O)c1nc(N)nc2nn(C)cc12,CHEMBL3410298,6.05
+CCOC(=O)c1nc(N)nc2nn(C(C)C)cc12,CHEMBL3410299,4.85
+CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12,CHEMBL3410300,4.98
+CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12,CHEMBL3410301,4.74
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12,CHEMBL3410305,4.0
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410306,5.07
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C(C)C)cc12,CHEMBL3410307,5.24
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C(C)C)cc12,CHEMBL3410309,4.55
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3410310,5.37
+CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410311,4.91
+CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410312,5.17
+CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410313,5.24
+CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410314,5.52
+CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410315,5.44
+CCOC(=O)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410316,5.66
+CCOC(=O)c1nc(N(C(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)nc2nn(C)cc12,CHEMBL3410318,5.54
+CCOC(=O)c1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410320,5.27
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12,CHEMBL3410322,4.84
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C(C)C)cc12,CHEMBL3410323,4.88
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12,CHEMBL3407529,5.37
+CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12,CHEMBL3410324,4.98
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccccc4OC)nc31)[C@H](O)[C@@H]2O,CHEMBL3407766,9.11
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(OC)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407767,9.04
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407768,9.2
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccc(C(F)(F)F)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407769,8.47
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(CO)cc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407770,8.67
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccnc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407771,8.67
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccncc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407772,8.68
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ncccn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407773,8.71
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407774,8.75
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccnn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407775,8.45
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccn[nH]4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407776,8.65
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnn(C)c4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407777,8.63
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccco4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407778,9.21
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cc(C)c(C)o4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407779,8.84
+CCc1ccc(C#Cc2nc(NC)c3ncn([C@H]4[C@H](O)[C@H](O)[C@]5(C(=O)NC)C[C@H]45)c3n2)o1,CHEMBL3407780,8.82
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cc5ccccc5o4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407781,8.79
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccsc4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407782,9.28
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407783,9.24
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407784,9.15
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407785,9.36
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4nccs4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407786,8.68
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#CC4CC4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407787,8.94
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#CC4CCCCC4)nc31)[C@H](O)[C@@H]2O,CHEMBL3407788,8.77
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414936,8.41
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414938,9.32
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414939,9.37
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414940,8.1
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414941,8.41
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414942,8.05
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414943,7.79
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414944,7.81
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414945,8.02
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414946,8.58
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3414947,8.33
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+Cc1nc(=O)c2nc(-c3ccccc3)sc2[nH]1,CHEMBL3415022,7.07
+COc1ccc(-c2nc3c(=O)nc(C)[nH]c3s2)cc1,CHEMBL3415023,7.42
+Cc1ccc(-c2nc3c(=O)nc(C)[nH]c3s2)cc1,CHEMBL3415024,7.48
+Cc1nc(=O)c2nc(-c3ccc(Cl)cc3)sc2[nH]1,CHEMBL3415025,7.74
+Cc1nc(=O)c2nc(-c3ccc(F)cc3)sc2[nH]1,CHEMBL3415026,6.97
+Cc1cccc(-c2nc3c(=O)nc(C)[nH]c3s2)c1,CHEMBL3415031,6.42
+Cc1nc(=O)c2nc(-c3cccc(Cl)c3)sc2[nH]1,CHEMBL3415032,6.08
+Cc1nc(=O)c2nc(-c3cccc(F)c3)sc2[nH]1,CHEMBL3415033,6.96
+Cc1nc(=O)c2nc(Cc3ccccc3)sc2[nH]1,CHEMBL3415035,6.37
+Cc1nc(=O)c2nc(-c3cccs3)sc2[nH]1,CHEMBL3415039,6.61
+Cc1nc(=O)c2nc(-n3cccc3)sc2[nH]1,CHEMBL3415040,6.64
+COc1cccc(Nc2nc3c(=O)nc(C)[nH]c3s2)c1,CHEMBL3415046,6.95
+Cc1cccc(Nc2nc3c(=O)nc(C)[nH]c3s2)c1,CHEMBL3415047,6.35
+CCOc1nc(C)nc2sc(Nc3cccc(OC)c3)nc12,CHEMBL3415054,6.96
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(CCc5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416778,5.39
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(Cc5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416777,5.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCCN4CCN(c5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL3416776,5.26
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+Cn1cc2c(nc(N=C(Nc3ccccc3)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581298,7.1
+Cc1ccc(NC(=Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)Nc2ccc(C)cc2)cc1,CHEMBL3581299,7.2
+COc1ccc(NC(=Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)Nc2ccc(OC)cc2)cc1,CHEMBL3581300,7.38
+Cn1cc2c(nc(N=C(Nc3ccc(F)cc3)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581301,6.91
+Cn1cc2c(nc(N=C(Nc3ccc(Cl)cc3)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581302,7.15
+Cn1cc2c(nc(N=C(Nc3ccc(Br)cc3)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581303,6.46
+Cn1cc2c(nc(N=C(Nc3ccc(C#N)cc3)Nc3ccc(C#N)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581304,7.52
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+COc1cccc(NC(=Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)Nc2cccc(OC)c2)c1,CHEMBL3581306,6.81
+Cn1cc2c(nc(N=C(Nc3cccc(Cl)c3)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581307,7.05
+Cn1cc2c(nc(N=C(Nc3cccc(C(F)(F)F)c3)Nc3cccc(C(F)(F)F)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581308,6.28
+Cn1cc2c(nc(N=C(NC3CCCCC3)NC3CCCCC3)n3nc(-c4ccco4)nc23)n1,CHEMBL3581309,7.54
+CC(C)NC(=Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)NC(C)C,CHEMBL3581310,7.48
+CCCNc1cc(-n2cc(-c3ccc(Cl)s3)nn2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612947,6.96
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CCC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612946,7.68
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612945,8.03
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+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612943,9.14
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612942,8.0
+CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612941,7.42
+CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612940,8.77
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612939,8.52
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CCC4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612938,7.82
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612937,8.1
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCC4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612936,8.35
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612935,9.0
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C)C)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O,CHEMBL3612934,8.54
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+CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612932,8.96
+CCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12,CHEMBL3612931,8.42
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL3642150,6.29
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3545407,6.15
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O,CHEMBL2205239,6.67
+O=S(=O)(O)C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642984,5.99
+O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3642152,5.69
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O,CHEMBL3642983,6.05
+CC(Cc1ccccc1)Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL3741393,5.91
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N(C)C)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740939,6.91
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+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741543,6.91
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(C(F)(F)F)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3742258,6.64
+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740858,6.77
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+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3741805,7.25
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+CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,CHEMBL3740085,6.92
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+CNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3752868,5.81
+CC(C)Nc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL3754099,6.25
+Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3752431,6.43
+Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752514,7.51
+CNc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754353,6.24
+CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754685,6.77
+O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3753012,6.46
+O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3752621,7.53
+CNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3753604,5.03
+CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754760,4.87
+O=C(Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752421,5.07
+O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL3752342,6.6
+CNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754704,5.78
+CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752488,6.59
+O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12,CHEMBL3754417,6.54
+O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL3753079,7.34
+c1ccc(Oc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753118,6.53
+c1ccc(CNc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3752965,6.43
+CNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3754333,6.04
+CC(C)Nc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1,CHEMBL3753698,6.98
+c1coc(-c2nc3nc(NC4CCCCC4)nc(NC4CCCCC4)n3n2)c1,CHEMBL3753384,6.89
+c1ccc(CNc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3753690,6.34
+CNc1nc(NCc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754336,6.56
+CC(C)Nc1nc(NCc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL3754718,6.94
+c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3754573,7.43
+CNc1nc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL3752753,6.25
+Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3754124,5.89
+Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL3752432,7.12
+Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc3n2)cc1,CHEMBL3754080,6.91
+COc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3752438,8.01
+COc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3751909,8.19
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1,CHEMBL3752862,8.61
+O=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3754475,8.45
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1,CHEMBL3752840,8.67
+O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12,CHEMBL3753994,6.69
+O=C(Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12)c1ccccc1,CHEMBL3752218,6.65
+COc1ccc(-c2nc(N)c3nn(-c4ccc(OC)cc4)cc3n2)cc1,CHEMBL3752622,7.77
+Nc1nc(Cc2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3753291,6.6
+COc1ccc(-c2nc(N)c3nn(-c4ccccc4)cc3n2)cc1,CHEMBL3752275,7.48
+Cc1nc(=O)c2nn(-c3ccccc3)nc2[nH]1,CHEMBL3754773,6.49
+COc1ccc(-n2cc3[nH]c(-c4cccs4)nc(=O)c3n2)cc1,CHEMBL3751940,6.61
+Cc1nc(=O)c2nn(-c3ccccc3F)cc2[nH]1,CHEMBL3752647,6.65
+O=c1nc(-c2ccccc2)[nH]c2cn(Cc3ccccc3)nc12,CHEMBL3754432,6.89
+O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3753976,8.74
+COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1,CHEMBL3753544,8.88
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccncc1,CHEMBL3753507,8.02
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1,CHEMBL3753642,9.39
+O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccco1,CHEMBL3751978,8.63
+COc1ccc(C(=O)Nc2nc(-c3cccs3)nc3cn(-c4ccccc4)nc23)cc1,CHEMBL3754229,10.57
+O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1cccs1,CHEMBL3754500,8.23
+Nc1nc(-c2ccc(O)cc2)nc2cn(-c3ccccc3)nc12,CHEMBL3753895,6.36
+COc1ccc(-n2cc3nc(-c4cccs4)nc(N)c3n2)cc1,CHEMBL3753056,7.11
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12,CHEMBL3754656,8.01
+Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12,CHEMBL3753937,7.27
+Cc1ccc(-c2nc(=O)c3nn(-c4ccccc4)cc3[nH]2)o1,CHEMBL3753543,6.06
+O=c1nc(-c2cccs2)[nH]c2cn(-c3ccccc3)nc12,CHEMBL3753700,6.38
+Cc1nc(=O)c2nn(Cc3ccccc3)cc2[nH]1,CHEMBL3754014,6.31
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765818,6.01
+CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3770601,7.6
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3770194,6.04
+CCOC(=O)C1=C(C)Nc2nccn2C1c1cccs1,CHEMBL3785980,5.34
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1,CHEMBL3798214,6.37
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4F)cc3n2)o1,CHEMBL3797666,6.3
+COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1,CHEMBL3800587,7.06
+COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1,CHEMBL3799351,7.09
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1,CHEMBL3798754,6.57
+Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12,CHEMBL3798383,6.04
+COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1,CHEMBL3798766,6.71
+Nc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12,CHEMBL3800218,6.68
+COc1ccccc1-n1cc2nc(-c3cccs3)nc(N)c2n1,CHEMBL3797898,6.82
+Cc1ccc(-c2nc(N)c3nn(-c4ccccc4O)cc3n2)o1,CHEMBL3797799,6.43
+COc1ccccc1-n1cc2nc(-c3ccc(C)o3)nc(N)c2n1,CHEMBL3799210,6.53
+Cc1ccc(-c2nc(N)c3nn(-c4ccccc4)cc3n2)o1,CHEMBL3797433,6.83
+COc1ccccc1-n1cc2nc(Cc3ccccc3)nc(N)c2n1,CHEMBL3799215,6.39
+Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3F)nc12,CHEMBL3799889,6.79
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1,CHEMBL3799848,7.15
+Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1,CHEMBL3799921,6.91
+Cc1ccc(-c2nc(N)c3nn(Cc4cccc(O)c4)cc3n2)o1,CHEMBL3800254,6.65
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3828401,6.2
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3828002,6.21
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,6.51
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O,CHEMBL3828555,6.05
+Clc1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3088335,5.44
+Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088337,5.31
+COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3088336,5.23
+Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3827748,5.33
+O=[N+]([O-])c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1,CHEMBL3828031,5.1
+Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1,CHEMBL3828648,4.76
+Clc1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3828047,5.41
+COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC,CHEMBL3827097,5.58
+O=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1,CHEMBL3088338,5.13
+S=C(NCc1ccccc1)N(Cc1ccccc1)c1nc2c(Cl)ncnc2s1,CHEMBL3828590,5.99
+CN(C)c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3088342,5.89
+CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3088349,5.41
+c1ccc(Nc2nc3c(N4CCOCC4)ncnc3s2)cc1,CHEMBL3088339,5.35
+c1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1,CHEMBL3088340,4.92
+CN1CCN(c2ncnc3sc(Nc4ccccc4)nc23)CC1,CHEMBL3088343,5.37
+Clc1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1,CHEMBL3088348,4.74
+c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3827207,5.06
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12,CHEMBL3828082,6.01
+Clc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3088334,5.37
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12,CHEMBL3828238,6.03
+COc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828306,6.23
+Cc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3828214,6.25
+Cc1ccc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc1,CHEMBL3828388,6.07
+O=[N+]([O-])c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1,CHEMBL3827990,5.44
+Fc1cccc(F)c1Nc1nc2c(N3CCCC3)ncnc2s1,CHEMBL3827582,5.5
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12,CHEMBL3828448,5.47
+Brc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1,CHEMBL3827889,5.89
+OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12,CHEMBL3827171,5.97
+COc1cc(Nc2nc3c(N4CCCC4)ncnc3s2)cc(OC)c1OC,CHEMBL3828479,5.89
+COc1cc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc(OC)c1OC,CHEMBL3827396,5.84
diff --git a/chembl_200/CHEMBL2564.csv b/chembl_200/CHEMBL2564.csv
new file mode 100644
index 0000000000000000000000000000000000000000..766d84ca465a17e9e9cb254463fc44b994fbefc7
--- /dev/null
+++ b/chembl_200/CHEMBL2564.csv
@@ -0,0 +1,606 @@
+Cc1nc(C#Cc2ccccc2)cs1,CHEMBL63042,8.135
+Cc1csc(C#Cc2ccccc2)n1,CHEMBL65417,7.49
+C(#Cc1nccs1)c1ccccc1,CHEMBL65886,6.82
+Cc1nc(C#Cc2ccncc2)cs1,CHEMBL303090,6.665
+C(#Cc1cscn1)c1ccccc1,CHEMBL63093,6.85
+Cc1nc(C#Cc2ccccn2)cs1,CHEMBL65022,7.295
+N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(=O)O,CHEMBL367027,4.19
+N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(=O)O,CHEMBL178058,4.28
+N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(=O)O,CHEMBL367189,4.15
+N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(=O)O,CHEMBL368858,4.35
+N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(=O)O,CHEMBL174625,4.21
+Cc1nc(C#Cc2ccc(-c3ccccn3)nc2)cs1,CHEMBL362217,7.8
+Cc1nc(C#Cc2ccc(-c3ccncc3)nc2)cs1,CHEMBL181411,7.68
+Cc1nc(C#Cc2ccccc2C)cs1,CHEMBL181915,7.29
+Cc1cccc(C#Cc2csc(C)n2)c1,CHEMBL182950,8.0
+Cc1ccc(C#Cc2csc(C)n2)cc1,CHEMBL185813,6.2
+Cc1nc(C#Cc2ccccc2-c2ccccc2)cs1,CHEMBL183608,6.84
+Cc1nc(C#Cc2cccc(-c3ccccc3)c2)cs1,CHEMBL365403,7.8
+Cc1nc(C#Cc2ccc(-c3ccccc3)cc2)cs1,CHEMBL185078,7.37
+Cc1nc(C#Cc2cncc(-c3ccccc3)c2)cs1,CHEMBL185365,7.4
+Cc1nc(C#Cc2cncc(-c3ccccn3)c2)cs1,CHEMBL183230,7.55
+Cc1nc(C#Cc2cncc(-c3cccnc3)c2)cs1,CHEMBL183864,9.0
+Cc1nc(C#Cc2cncc(-c3ccncc3)c2)cs1,CHEMBL182130,7.82
+Cc1nc(C#Cc2ccc(-c3ccccc3)nc2)cs1,CHEMBL184995,8.7
+N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1,CHEMBL361795,6.31
+N#Cc1cccc(-n2ccc(-c3ccccn3)n2)c1,CHEMBL182558,6.28
+N#Cc1cccc(-n2cc(-c3ccccn3)cn2)c1,CHEMBL189389,6.6
+N#Cc1cccc(-c2cnn(-c3ccccn3)n2)c1,CHEMBL186666,6.7
+N#Cc1cccc(-n2ncc(-c3ccccn3)n2)c1,CHEMBL186835,6.52
+N#Cc1cccc(-c2nnn(-c3ccccn3)n2)c1,CHEMBL366288,6.35
+N#Cc1cccc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL365499,6.79
+N#Cc1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL187107,7.88
+Cc1cccc(C#Cc2cccc(-c3ccccc3)c2)n1,CHEMBL182866,6.0
+COc1cccc(-c2cccc(C#Cc3cccc(C)n3)c2)c1,CHEMBL182423,5.63
+Cc1cccc(C#Cc2cccc(-c3ccco3)c2)n1,CHEMBL182424,7.44
+Cc1cccc(C#Cc2cccc(-c3cccs3)c2)n1,CHEMBL181814,6.83
+Cc1cccc(C#Cc2cncc(-c3ccccc3)c2)n1,CHEMBL182664,8.77
+COc1cccc(-c2cncc(C#Cc3cccc(C)n3)c2)c1,CHEMBL361615,7.13
+Cc1cccc(C#Cc2cncc(-c3ccco3)c2)n1,CHEMBL360773,8.19
+Cc1cccc(C#Cc2cncc(-c3cccs3)c2)n1,CHEMBL360942,6.81
+Cc1cccc(C#Cc2cncc(-c3cccc(C)n3)c2)n1,CHEMBL182622,7.89
+CCc1cc2cc(C(=O)[C@H]3CC[C@@H](OC)CC3)ccc2nc1C,CHEMBL188906,5.63
+c1ccc(Oc2cccc(-n3nnc(-c4ccccn4)n3)c2)cc1,CHEMBL186521,6.21
+c1ccc(Oc2cccc(-n3nnc(-c4ccccn4)n3)c2)nc1,CHEMBL186571,6.2
+c1ccc(-c2nnn(-c3cccc(Oc4cccnc4)c3)n2)nc1,CHEMBL365065,7.23
+c1ccc(-c2nnn(-c3ccc(Oc4cccnc4)cc3)n2)nc1,CHEMBL186089,6.2
+Fc1cc(Oc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL186151,7.92
+Fc1cc(Sc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL184047,7.8
+Fc1cc(Cc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL362724,7.42
+Fc1cc(Nc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL366333,7.54
+CN(c1cccnc1)c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL363488,7.52
+Fc1cc(-n2nnc(-c3ccccn3)n2)cc(-n2ccc3ccncc32)c1,CHEMBL185946,7.6
+N#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL361077,8.4
+N#Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1,CHEMBL365208,7.92
+Nc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL185673,8.15
+Fc1cc(-c2ccccn2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL364603,7.02
+Fc1cc(-c2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL365083,7.43
+Fc1cc(-c2ccncc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL187746,6.24
+Cc1cccnc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL184242,7.62
+Cc1cnccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL186021,7.48
+Cc1ncccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL185410,7.35
+Cc1ccncc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL361681,8.72
+Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1,CHEMBL187297,7.44
+Cc1cncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1,CHEMBL187108,6.57
+Nc1ccncc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL185929,7.7
+Nc1cccnc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL185889,7.51
+Fc1cc(-c2ccccc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL359590,7.28
+Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL359575,7.64
+N#Cc1cc(F)cc(-n2nnc(-c3ncc[nH]3)n2)c1,CHEMBL427519,8.03
+Cc1c[nH]c(-c2nnn(-c3cc(F)cc(C#N)c3)n2)n1,CHEMBL186808,7.72
+Fc1cc(Oc2cccnc2)cc(-n2nnc(-c3ncc[nH]3)n2)c1,CHEMBL426976,8.49
+Cc1ccncc1-c1cc(F)cc(-n2nnc(-c3ncc[nH]3)n2)c1,CHEMBL186703,8.46
+N#Cc1cccc(-n2nnc(-c3nccs3)n2)c1,CHEMBL186757,6.74
+N#Cc1cccc(-n2nnc(-c3cscn3)n2)c1,CHEMBL184959,6.8
+N#Cc1cccc(-n2nnc(-c3ncc[nH]3)n2)c1,CHEMBL364641,7.47
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1,CHEMBL191039,5.38
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1,CHEMBL365409,6.11
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1,CHEMBL190326,6.0
+N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,CHEMBL190270,5.42
+Cc1cccc(C#Cc2cccc(C#N)c2)n1,CHEMBL181483,8.935
+COc1cccc(C#Cc2cccc(C)n2)c1,CHEMBL332397,7.96
+N#Cc1cc(Cl)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL197798,7.59
+N#Cc1cc(C#N)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL198768,7.74
+N#Cc1cc(-n2nnc(-c3ccccn3)n2)cc([N+](=O)[O-])c1,CHEMBL194637,7.38
+Cc1cc(C#N)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL194636,8.15
+COc1cc(C#N)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL194585,8.22
+N#Cc1cc(N)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL372809,7.02
+N#Cc1cc(O)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL198869,6.5
+N#Cc1cc(OCC2CC2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL372782,6.57
+N#Cc1cc(Oc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1,CHEMBL425210,7.8
+N#Cc1cc(F)cc(-n2ccc(-c3ccccn3)c2)c1,CHEMBL197936,8.3
+c1ccc(-c2nnn(-c3cccc(-c4cccnc4)c3)n2)nc1,CHEMBL186133,7.16
+C(#Cc1ccccn1)C1=CCCC1,CHEMBL443487,8.0
+C(#Cc1ccccn1)C1=CCCCC1,CHEMBL196643,9.19
+C(#CC1CCCCC1)c1ccccn1,CHEMBL195965,6.79
+C(#Cc1ccccn1)C1=CC(Sc2ccc3ccccc3c2)CCC1,CHEMBL196343,7.12
+O=C1c2ccccc2C(=O)N1C1C=C(C#Cc2ccccn2)CCC1,CHEMBL2113099,8.24
+C(#Cc1ccccn1)C1=CC(Sc2ccncc2)CCC1,CHEMBL196054,7.37
+C(#Cc1ccccn1)C1=CC(Oc2ccncc2)CCC1,CHEMBL194246,7.68
+C(#Cc1ccccn1)C1=CC(Nc2cccnc2)CCC1,CHEMBL197212,8.14
+C(#Cc1ccccn1)C1=CC(Oc2cccnc2)CCC1,CHEMBL426467,8.74
+Clc1cncc(OC2C=C(C#Cc3ccccn3)CCC2)c1,CHEMBL381192,8.96
+C(#Cc1ccccn1)C1=CCC(Nc2ccc3ccccc3c2)CC1,CHEMBL370879,6.52
+C(#Cc1ccccn1)C1=CCC(NC2CCCC2)CC1,CHEMBL196674,5.14
+C(#Cc1ccccn1)C1=CC(N2CCOCC2)CCC1,CHEMBL2113100,6.17
+C(#Cc1ccccn1)C1=CCC(Nc2cccnc2)CC1,CHEMBL194407,7.46
+CC(C)(C)OC(=O)N1CC=C(C#Cc2ccccn2)CC1,CHEMBL196574,7.7
+C(#Cc1ccccn1)C1=CCNCC1,CHEMBL364709,5.47
+O=C(Oc1ccccc1)N1CC=C(C#Cc2ccccn2)CC1,CHEMBL196224,6.77
+O=C(OCc1ccccc1)N1CC=C(C#Cc2ccccn2)CC1,CHEMBL194197,9.08
+O=S(=O)(Cc1ccccc1)N1CC=C(C#Cc2ccccn2)CC1,CHEMBL370752,6.41
+Cc1cccc(S(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)c1,CHEMBL195944,7.89
+Cc1ccc(S(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)cc1,CHEMBL194538,7.92
+O=S(=O)(c1ccc(Br)cc1)N1CC=C(C#Cc2ccccn2)CC1,CHEMBL197724,8.51
+Cc1nc(C#Cc2cccc(C#N)c2)cs1,CHEMBL201943,9.6
+C=Cc1cncc(C#Cc2csc(C)n2)c1,CHEMBL202307,9.0
+CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,CHEMBL239800,6.5
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,CHEMBL411221,6.6
+N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1,CHEMBL378434,5.81
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1,CHEMBL211040,6.58
+COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1,CHEMBL209015,6.38
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1,CHEMBL381264,5.65
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1,CHEMBL210573,5.78
+COc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,CHEMBL210572,5.89
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)c(Cl)c1,CHEMBL379515,6.8
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1C,CHEMBL207107,6.37
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1ccccc1,CHEMBL207475,5.59
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1,CHEMBL377307,6.3
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccccc1,CHEMBL378129,5.57
+COc1cccc(-c2cc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)c1,CHEMBL445149,5.49
+N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Br)c1,CHEMBL208105,6.64
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1cccc([N+](=O)[O-])c1,CHEMBL207624,6.64
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1ccc([N+](=O)[O-])cc1,CHEMBL206992,6.92
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1,CHEMBL207334,6.96
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1,CHEMBL210846,6.8
+COc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1,CHEMBL208090,5.68
+N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1,CHEMBL207346,5.7
+c1ccc(-c2cn(-c3cc(-c4ccccc4)nn3-c3ccccc3)nn2)cc1,CHEMBL210312,5.23
+N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)cnn2-c2ccccc2)c1,CHEMBL210488,5.92
+O=C(Nc1c(-c2ccccc2)cnn1-c1ccccc1)c1ccccc1,CHEMBL206574,5.93
+O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1,CHEMBL209183,5.74
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)C1CCCC1,CHEMBL378559,4.94
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)C1CCCCC1,CHEMBL438063,4.99
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)C1=CCCCC1,CHEMBL378841,5.35
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1,CHEMBL208899,5.46
+N#Cc1ccc(C(=O)N(C(=O)c2ccc(C#N)cc2)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1,CHEMBL209185,5.52
+N#Cc1ccc(C(=O)/N=c2\cc(-c3ccccc3)n(C(=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1,CHEMBL207181,5.28
+O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1,CHEMBL379553,5.41
+Cc1cccc(NC(=O)c2cccc(-c3ccccc3)c2)n1,CHEMBL377935,5.14
+Cc1cccc(NC(=O)c2cccc(C#N)c2)n1,CHEMBL208927,6.48
+Cc1cccc(NC(=O)c2cccc(Cl)c2)n1,CHEMBL377829,5.76
+Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,CHEMBL223496,6.3
+CCc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,CHEMBL385336,6.71
+CCc1cccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)c1,CHEMBL224084,6.21
+CN(C)c1ccnc2sc3c(=O)n(-c4ccc5c[nH]nc5c4)cnc3c12,CHEMBL225438,5.93
+CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4Cl)cnc3c12,CHEMBL224898,5.64
+Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)c(C)c1,CHEMBL224356,5.61
+CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c12,CHEMBL225589,5.99
+CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1,CHEMBL227853,8.55
+Cc1ccc2ccc(-c3cccc(C#N)c3)cc2n1,CHEMBL244796,7.05
+Cc1nc2cc(-c3cccc(C#N)c3)ccc2s1,CHEMBL244585,5.68
+Cc1cc(C)nc(-c2ccc3ccc(C)nc3c2)n1,CHEMBL245236,5.68
+COc1cc(OC)nc(-c2ccc3ccc(C)nc3c2)n1,CHEMBL245235,5.27
+COc1ccnc(-c2ccc3ccc(C)nc3c2)n1,CHEMBL395327,5.81
+N#Cc1cc(F)cc(C#Cc2csc(CF)n2)c1,CHEMBL229429,10.44
+Cc1ccc2ccc(-c3cc(F)cc(C#N)c3)cc2n1,CHEMBL232188,7.66
+Cc1cccc(NC(=O)c2ccc(-c3ccccn3)cn2)n1,CHEMBL248141,7.0
+COc1ccccc1-c1ccc(C(=O)Nc2cccc(C)n2)nc1,CHEMBL248138,6.25
+Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cn2)n1,CHEMBL396078,5.55
+Cc1cccc(NC(=O)c2cc(-c3ncccn3)ccn2)n1,CHEMBL247330,5.61
+Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)ccn2)n1,CHEMBL245877,6.6
+Cc1cccc(NC(=O)c2cc(-c3cc(F)cc(F)c3)ccn2)n1,CHEMBL397121,7.37
+Cc1cccc(NC(=O)c2cc(-c3cccc(F)c3)ccn2)n1,CHEMBL248130,6.3
+Cc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)ccn2)n1,CHEMBL248129,6.49
+Cc1cccc(NC(=O)c2nccc3ccccc23)n1,CHEMBL248128,6.36
+Cc1cccc(NC(=O)c2nccn2C)n1,CHEMBL248124,5.51
+CC1(C)CCc2nc(C#Cc3ccccc3)ccc2C1=O,CHEMBL253814,7.29
+COC1CCCc2nc(C#Cc3ccccc3)ccc21,CHEMBL253598,6.86
+CC1(C)CC(=O)c2ccc(C#Cc3ccccn3)nc2C1,CHEMBL400367,6.68
+O=C1CCCc2nc(C#Cc3ccccn3)ccc21,CHEMBL253161,5.63
+COC(=O)c1ccc(C#Cc2ccccc2)nc1,CHEMBL400735,5.85
+C(#Cc1ccc2c(n1)CCCC2)c1ccccc1,CHEMBL253160,5.82
+O[C@@H]1CCCc2nc(C#Cc3ccccc3)ccc21,CHEMBL253159,5.33
+O[C@H]1CCCc2nc(C#Cc3ccccc3)ccc21,CHEMBL253158,5.03
+OC1CCCc2nc(C#Cc3ccccc3)ccc21,CHEMBL253157,5.12
+O=C1CCCc2nc(C#Cc3ccccc3)ccc21,CHEMBL252956,6.1
+C(#Cc1cncnc1)c1ccccc1,CHEMBL486244,6.9
+N#Cc1cc(C#Cc2ccccn2)ccc1-c1ccccc1,CHEMBL523693,8.4
+N#Cc1cc(C#Cc2ccccn2)ccc1-c1cccc(F)c1,CHEMBL493773,7.77
+N#Cc1cc(C#Cc2ccccn2)ccc1-c1ccc(F)cc1,CHEMBL493774,8.52
+Cc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1,CHEMBL464372,7.053
+Cc1cccc(NC(=O)c2cc(F)cc(-c3cccnc3)c2)n1,CHEMBL467483,6.15
+Cc1cccc(NC(=O)c2cc(F)cc(-c3ccccc3C)c2)n1,CHEMBL467485,6.21
+Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(F)c2)n1,CHEMBL469121,5.11
+Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(Cl)c2)n1,CHEMBL513699,5.56
+Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(C#N)c2)n1,CHEMBL493569,6.87
+Cc1cccc(NC(=O)c2ccc(-c3cccc4ccccc34)c(C#N)c2)n1,CHEMBL522507,7.14
+Cc1cccc(NC(=O)c2ccc(-c3cccnc3)c(C#N)c2)n1,CHEMBL493570,5.69
+COc1ccccc1-c1cncc(C(=O)Nc2cccc(C)n2)c1,CHEMBL493573,5.31
+Cc1cccc(NC(=O)c2ccc(-c3ccccc3)nc2)n1,CHEMBL525384,6.45
+Cc1cccc(NC(=O)c2ccc(-c3cccnc3)nc2)n1,CHEMBL493572,5.61
+O=C(C1CC1c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2,CHEMBL556070,4.56
+COc1ccc(C2CC2C(=O)C23CC4CC(CC(C4)C2)C3)cn1,CHEMBL551469,4.74
+O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2,CHEMBL538307,4.64
+COc1ncc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1C,CHEMBL564089,5.29
+O=C(/C=C/c1cnc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2,CHEMBL556707,5.21
+O=C(/C=C/c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2,CHEMBL554700,6.09
+CC(C)(C)C(=O)/C=C/c1cnc2ccccc2c1,CHEMBL572128,4.51
+CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1,CHEMBL593590,7.52
+Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,CHEMBL1075626,6.6
+Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1,CHEMBL1079374,6.94
+Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,CHEMBL1076333,6.13
+Cc1ccc(-n2cnc3c(sc4nc(N)nc(N)c43)c2=O)cc1,CHEMBL1093560,8.03
+Cc1ccc(-n2cnc3c(sc4nc(C)nc(N)c43)c2=O)cc1,CHEMBL1093901,6.94
+Cc1nc2cc(-c3ccc(OS(=O)(=O)C(F)(F)F)c(C#N)c3)ccc2s1,CHEMBL1098212,6.06
+Cc1nc2cc(-c3ccc(-c4ccc(F)cc4)c(C#N)c3)ccc2s1,CHEMBL1096810,5.33
+COCOc1ccc(-c2ccc3ccc(C)nc3c2)cc1C#N,CHEMBL1096811,6.22
+Cc1ccc2ccc(-c3ccc(OCc4ccccc4)c(C#N)c3)cc2n1,CHEMBL1098228,5.98
+Cc1nc2cc(-c3ccc(OCc4ccccc4)c(C#N)c3)ccc2s1,CHEMBL1098805,5.15
+Cc1ccc2ccc(-c3ccc(Cl)cc3C#N)cc2n1,CHEMBL1099112,5.33
+Cc1ccc2ccc(-c3ccc(-c4ccccc4)c(C#N)c3)cc2n1,CHEMBL1099113,7.01
+Cc1ccc2ccc(-c3ccc(-c4ccc(F)cc4)c(C#N)c3)cc2n1,CHEMBL1099114,7.19
+Cc1ccc2ccc(-c3ccc(-c4cccnc4)c(C#N)c3)cc2n1,CHEMBL1099115,6.14
+N#Cc1cc(-c2ccc3scnc3c2)ccc1-c1ccccc1,CHEMBL1096844,6.32
+Cc1cccc(C#Cc2cncc(C#N)c2)n1,CHEMBL1098656,8.82
+Cc1ccc2ccc(-c3cnc(-c4ccccc4)c(C#N)c3)cc2n1,CHEMBL1096197,7.01
+CO/N=C1/C=C(C#Cc2cccnc2)CCC1,CHEMBL1097419,6.6
+CO/N=C1/C=C(C#Cc2ccncc2)CCC1,CHEMBL1097749,7.26
+CO/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1096421,8.66
+Cc1cccc(C#CC2=C/C(=N/Oc3cccc(F)n3)CCC2)n1,CHEMBL1096422,7.33
+Fc1cccc(O/N=C2/C=C(C#Cc3ccccn3)CCC2)n1,CHEMBL1098699,8.04
+Fc1cccnc1O/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1098700,8.4
+Fc1cccc(O/N=C2\C=C(C#Cc3ccccn3)CCC2)n1,CHEMBL1098701,7.36
+N#Cc1ccc(O/N=C2\C=C(C#Cc3ccccn3)CCC2)cc1F,CHEMBL1098702,7.3
+N#Cc1ccc(F)cc1O/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1094332,7.13
+N#Cc1ccc(O/N=C2/C=C(C#Cc3ccccn3)CCC2)cc1F,CHEMBL1097370,7.25
+FCCOCO/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1094805,8.08
+FCCCOCO/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1094806,8.27
+FCCOCCO/N=C1/C=C(C#Cc2ccccn2)CCC1,CHEMBL1094807,8.42
+Cc1cccc(C#CC2=C/C(=N/OCCOCCF)CCC2)n1,CHEMBL1095128,7.57
+Cc1ccc(C(=O)N2CSCC2c2nc(-c3cccc(Cl)c3)no2)s1,CHEMBL1083340,7.08
+Cc1ccc(C(=O)N2CCCC2c2nc(-c3cccc(Cl)c3)no2)s1,CHEMBL1083341,6.91
+Cc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1,CHEMBL1082721,6.9
+Cc1cccc(-c2noc(C3CCCN3C(=O)c3ccc(C)s3)n2)c1,CHEMBL1082722,6.84
+COc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1,CHEMBL1082634,6.74
+COCC(=O)N1CCCC1c1nc(-c2cccc(C)c2)no1,CHEMBL1082635,6.73
+O=C(c1ccco1)N1CSCC1c1nc(-c2cccc(Cl)c2)no1,CHEMBL1082636,6.71
+O=C(c1cccs1)N1CCCC1c1nc(-c2cccc(Cl)c2)no1,CHEMBL1082637,6.71
+N#Cc1cccc(-c2noc(C3CCCCN3C(=O)c3cccs3)n2)c1,CHEMBL1082328,6.7
+O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1082329,7.31
+Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCC3)n2)c1,CHEMBL1082975,7.14
+O=C(C1CCC1)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1086139,7.11
+O=C(C1CCCC1)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1082976,7.06
+Cc1ccc(C(=O)N2CCCC2c2nnn(-c3cccc(Cl)c3)n2)s1,CHEMBL1083598,7.05
+Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCCC3)n2)c1,CHEMBL1084474,6.99
+Cc1ccc(C(=O)N2CCCC2c2nnn(-c3cccc(Cl)c3)n2)o1,CHEMBL1084475,6.98
+O=C(c1ccco1)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1084476,6.9
+CC(C)C(=O)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1084477,6.86
+N#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCC3)n2)c1,CHEMBL1082666,6.64
+O=C(c1cccs1)N1CCCC(c2nnn(-c3cccc(Cl)c3)n2)C1,CHEMBL1082667,6.5
+O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(F)c2)n1,CHEMBL1082668,6.34
+O=C(C1CCC1)N1CCCC[C@H]1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1086591,6.13
+O=C(C1CCC1)N1CCCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1,CHEMBL1082987,7.24
+Cc1csc(NC(=O)c2cc(F)cc(C#N)c2)n1,CHEMBL1209201,6.99
+N#Cc1cc(F)cc(C(=O)Nc2cccc(Cl)c2)c1,CHEMBL1209202,6.69
+Cc1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1,CHEMBL1209203,7.0
+O=C(Nc1ccccc1)ON=C1CCCCC1Cn1ccnc1,CHEMBL2093131,6.77
+O=C(Nc1ccccc1)O/N=C1\CCCCC1Cn1ccnc1,CHEMBL1209152,6.98
+O=C(Nc1cccc(C(F)(F)F)c1)O/N=C(\C1CCCCC1)C(Cn1ccnc1)C1CCCCC1,CHEMBL1209153,7.11
+N#Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)C(Cn2ccnc2)C2CCCCC2)c1,CHEMBL1209154,7.42
+O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)C(Cn1ccnc1)C1CCCCC1,CHEMBL1209155,7.51
+Cc1cn(CC(/C(=N/OC(=O)Nc2cccc(Cl)c2)C2CCCCC2)C2CCCCC2)cn1,CHEMBL1209338,7.36
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1ccncc1)C1CCCCC1,CHEMBL1209339,6.93
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1cccnc1)C1CCCCC1,CHEMBL1209340,8.47
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1ccccn1)C1CCCCC1,CHEMBL1209341,7.39
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1cc[nH]c1)C1CCCCC1,CHEMBL1209400,7.79
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1ccco1)C1CCCCC1,CHEMBL1209401,6.36
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1ccsc1)C1CCCCC1,CHEMBL1209402,7.86
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1cccs1)C1CCCCC1,CHEMBL1209403,8.04
+O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)C(Cc1cccs1)C1CCCCC1,CHEMBL1209477,7.91
+Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)C(Cc2cccs2)C2CCCCC2)c1,CHEMBL1209478,8.08
+COc1cccc(NC(=O)O/N=C(\C2CCCCC2)C(Cc2cccs2)C2CCCCC2)c1,CHEMBL1209479,7.06
+Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)C(Cc2ccccc2)C2CCCCC2)c1,CHEMBL1209480,7.53
+Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)C(Cc2cccc(F)c2)C2CCCCC2)c1,CHEMBL1209559,7.25
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1ccccc1)C1CCCCC1,CHEMBL1209560,7.8
+O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)C(Cc1cccc(F)c1)C1CCCCC1,CHEMBL1209561,7.4
+CO/N=C1/C=C(C#Cc2csc(CF)n2)CCC1,CHEMBL1214301,8.26
+CO/N=C1/C=C(C#Cc2nccs2)CCC1,CHEMBL1214361,7.69
+FCCOCCO/N=C1/C=C(C#Cc2cscn2)CCC1,CHEMBL1214362,7.44
+Cc1nc(C#CC2=C/C(=N/OCCOCCF)CCC2)cs1,CHEMBL1214363,7.66
+N#Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1,CHEMBL1257505,7.77
+N#Cc1cc(F)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1,CHEMBL1257273,7.77
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645015,8.52
+COc1ccc(C(=O)N2CCN(c3ccncn3)CC2)cc1C#Cc1cccc(Cl)c1,CHEMBL1645018,8.3
+COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645012,7.72
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1C#Cc1ccccn1,CHEMBL1645023,7.72
+COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccn1,CHEMBL1645019,7.68
+COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1nccs1,CHEMBL1645022,7.62
+COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645013,7.57
+COc1ccc(C(=O)N2CCN(c3ccncn3)CC2)cc1C#Cc1ccccn1,CHEMBL1645020,7.52
+COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1cccc(C)n1,CHEMBL1645021,7.46
+Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645016,7.23
+COc1ccc(C(=O)N2CCN(c3ccncn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645014,7.21
+Cc1ccc(N2CCN(C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)nc1,CHEMBL1645011,7.19
+O=C(c1cccc(C#Cc2ccccn2)c1)N1CCN(c2ccccn2)CC1,CHEMBL1645008,7.02
+O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccccn2)CC1,CHEMBL1645002,6.86
+O=C(c1cccc(C#CCc2ccccc2)c1)N1CCN(c2ccccn2)CC1,CHEMBL1645007,6.86
+Cc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C#Cc1ccccc1,CHEMBL1645017,6.84
+COc1cccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)c1,CHEMBL1645003,6.67
+O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1,CHEMBL1645009,6.4
+Nc1cccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)c1,CHEMBL1645004,6.37
+O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccncn2)CC1,CHEMBL1645010,6.35
+Cc1ccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1,CHEMBL1645006,5.72
+COc1ccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1,CHEMBL1645005,5.63
+CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2cccc(Cl)c21,CHEMBL1672539,7.52
+N#Cc1cccc(C#Cc2csc(N)n2)c1,CHEMBL1672271,9.05
+N#Cc1cc(F)cc(C#Cc2csc(N)n2)c1,CHEMBL1672272,9.6
+N#CCc1cccc(C#Cc2csc(N)n2)c1,CHEMBL1672273,8.23
+COc1cccc(C#Cc2csc(N)n2)c1,CHEMBL1672274,7.73
+N#Cc1cccc(C#Cc2csc(Cl)n2)c1,CHEMBL1672275,9.57
+N#Cc1cc(F)cc(C#Cc2csc(Cl)n2)c1,CHEMBL1672276,9.4
+N#CCc1cccc(C#Cc2csc(Cl)n2)c1,CHEMBL1672277,8.51
+COc1cccc(C#Cc2csc(Cl)n2)c1,CHEMBL1672278,8.09
+N#Cc1cccc(C#Cc2csc(Br)n2)c1,CHEMBL1672279,8.43
+N#Cc1cc(F)cc(C#Cc2csc(Br)n2)c1,CHEMBL1672280,9.02
+N#CCc1cccc(C#Cc2csc(Br)n2)c1,CHEMBL1672281,8.48
+COc1cccc(C#Cc2csc(Br)n2)c1,CHEMBL1672282,7.65
+N#Cc1cccc(C#Cc2csc(I)n2)c1,CHEMBL1672283,8.38
+N#Cc1cc(F)cc(C#Cc2csc(I)n2)c1,CHEMBL1672284,8.89
+N#CCc1cccc(C#Cc2csc(I)n2)c1,CHEMBL1672285,7.63
+COc1cccc(C#Cc2csc(I)n2)c1,CHEMBL1672286,6.88
+N#Cc1cccc(C#Cc2csc(F)n2)c1,CHEMBL1672287,8.8
+N#Cc1cc(F)cc(C#Cc2csc(F)n2)c1,CHEMBL1672288,9.55
+N#CCc1cccc(C#Cc2csc(F)n2)c1,CHEMBL1672289,8.41
+COc1cccc(C#Cc2csc(F)n2)c1,CHEMBL1671873,7.64
+Fc1nc(C#Cc2ccccc2)cs1,CHEMBL1672290,6.91
+O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL1688377,6.36
+CCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1,CHEMBL1209330,6.12
+CCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1,CHEMBL1771268,6.49
+Cc1ccc(NC(=O)c2cc(F)cc(C#N)c2)nc1,CHEMBL1771269,5.55
+CCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1,CHEMBL1771270,5.98
+N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccccc1,CHEMBL1771271,7.43
+N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1cccc(F)c1,CHEMBL1771272,5.69
+N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccc(F)cc1,CHEMBL1771273,7.64
+O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1cc(-c2cc(F)cc(F)c2)ccn1,CHEMBL1771275,6.46
+Cc1nc(C#Cc2cc(C#N)cc([N+](=O)[O-])c2)cs1,CHEMBL1784540,9.44
+Cc1nc(C#Cc2cc(Br)cc([N+](=O)[O-])c2)cs1,CHEMBL1784541,9.03
+Cc1nc(C#Cc2cc(Cl)cc(C#N)c2)cs1,CHEMBL1784598,9.9
+Cc1nc(C#Cc2cc(Br)cc(C#N)c2)cs1,CHEMBL1784599,9.97
+Cc1nc(C#Cc2cc(I)cc(C#N)c2)cs1,CHEMBL1784600,8.67
+Cc1nc(C#Cc2cc(F)cc([N+](=O)[O-])c2)cs1,CHEMBL1784601,9.52
+Cc1nc(C#Cc2cc(I)cc([N+](=O)[O-])c2)cs1,CHEMBL1784602,8.74
+Cc1nc(C#Cc2cc(F)cc(Br)c2)cs1,CHEMBL1784603,8.97
+Cc1nc(C#Cc2cc(Br)cc(Br)c2)cs1,CHEMBL1784604,9.16
+N#Cc1cc(F)cc(C#Cc2ccccn2)c1,CHEMBL1784618,9.7
+N#Cc1cccc(C#Cc2cccc(C#N)n2)c1,CHEMBL2089174,8.09
+N#Cc1cccc(C#Cc2cccc(CO)n2)c1,CHEMBL2089175,7.43
+COc1cccc(C#Cc2cccc(C#N)c2)n1,CHEMBL2089176,6.7
+CC(=O)c1cccc(C#Cc2cccc(C#N)c2)n1,CHEMBL2089177,6.94
+N#Cc1cccc(C#Cc2cccc(F)n2)c1,CHEMBL2089178,6.82
+CCc1cccc(C#Cc2cccc(C#N)c2)n1,CHEMBL2089179,8.47
+CCCCc1cccc(C#Cc2cccc(C#N)c2)n1,CHEMBL2089180,7.35
+COc1cc(C#N)cc(C#Cc2cccc(C)n2)c1,CHEMBL2089181,8.89
+Cc1cccc(C#Cc2cc(F)cc(C#N)c2)n1,CHEMBL1784608,9.17
+N#Cc1cc(F)cc(C#Cc2cccc(C#N)n2)c1,CHEMBL2089182,8.57
+N#Cc1cc(F)cc(C#Cc2cccc(CO)n2)c1,CHEMBL2089183,8.12
+COc1cccc(C#Cc2cc(F)cc(C#N)c2)n1,CHEMBL2089184,7.4
+CC(=O)c1cccc(C#Cc2cc(F)cc(C#N)c2)n1,CHEMBL2089185,7.19
+N#Cc1cc(F)cc(C#Cc2cccc(F)n2)c1,CHEMBL2089186,7.39
+N#Cc1cncc(C#Cc2cccc(C#N)n2)c1,CHEMBL2089187,7.28
+COc1cccc(C#Cc2cncc(C#N)c2)n1,CHEMBL2089189,7.26
+O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1,CHEMBL1684242,6.71
+C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C,CHEMBL2151817,6.82
+CCO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1F,CHEMBL2164787,7.89
+CCO/N=C1\C=C(C#Cc2ccccn2)CCC1F,CHEMBL2164786,7.51
+CCO/N=C1/C=C(C#Cc2ccccn2)CCC1F,CHEMBL2164785,8.24
+CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1F,CHEMBL2164784,8.07
+CO/N=C1/C=C(C#Cc2ccccn2)CCC1F,CHEMBL2164783,8.47
+CC1(NC(=O)c2ccc(C#Cc3cccc(F)c3)cn2)COC1,CHEMBL2431173,7.05
+CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,CHEMBL569270,5.68
+COC(=O)N1C[C@@H]2[C@@H](CCC2(O)C#Cc2cccc(C)c2)C1,CHEMBL3087514,6.96
+COC(=O)N1CCCCC12CCCC(O)(C#Cc1cccc(C)c1)C2,CHEMBL3087212,7.08
+COC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(C#Cc1cccc(F)c1)C2,CHEMBL3087214,7.11
+COC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(C#Cc1cccc(OC)c1)C2,CHEMBL3087219,7.12
+COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C#Cc1cccc(C)c1)C2,CHEMBL3349197,7.15
+COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,CHEMBL3087515,7.18
+COC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(C#Cc1cccc(OC(F)F)c1)C2,CHEMBL3087220,7.24
+O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Cl)ccn1,CHEMBL3314850,7.43
+O=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccccc1,CHEMBL3317708,6.46
+COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1,CHEMBL3317707,5.6
+O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1,CHEMBL3317706,6.14
+O=C(CCc1cccc(F)c1)c1sc2ncccc2c1-c1ccc(F)cc1,CHEMBL3317709,6.65
+O=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1,CHEMBL3317710,6.74
+O=C(OCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3317720,7.39
+O=C(NCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1,CHEMBL3317721,6.51
+O=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1,CHEMBL3317726,6.85
+O=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3317727,7.08
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3317729,7.91
+Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1C,CHEMBL3401594,8.48
+O=S(=O)(c1cc(F)cc(C(F)(F)F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401593,7.39
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3401592,8.7
+O=S(=O)(c1cc(F)cc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401591,7.44
+COc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F,CHEMBL3401590,8.1
+Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F,CHEMBL3401589,7.93
+Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1Cl,CHEMBL3401588,8.17
+O=S(=O)(c1ccc(Cl)c(Cl)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401587,7.97
+O=S(=O)(c1ccc(Cl)cc1Cl)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401586,6.98
+CN(C)c1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3401585,7.28
+CC(C)c1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3401583,7.18
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401582,7.27
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401581,6.57
+N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3401580,8.39
+N#Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3401579,7.44
+COc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3401578,8.02
+COc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3401577,7.7
+Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3401576,8.03
+Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3401575,7.815
+O=S(=O)(c1cccc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401574,7.37
+O=S(=O)(c1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401573,7.81
+O=S(=O)(c1cccc(Cl)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401571,7.8
+O=S(=O)(c1ccccc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401569,7.02
+O=C(Nc1cccc(Cl)c1)O/N=C1\CCCCC1Cc1cccs1,CHEMBL3401568,8.04
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2cccc(F)c2)c1,CHEMBL3403146,8.6
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2ccc(F)cc2)c1,CHEMBL3403145,8.55
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3nc(Cl)ccc3c2-c2ccc(F)cc2)c1,CHEMBL3403144,7.7
+N#Cc1cccc(S(=O)(=O)c2sc3[nH]c(=O)ccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3403142,7.41
+N#Cc1cccc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3403140,8.08
+Nc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1,CHEMBL3403138,7.08
+COc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1,CHEMBL3403137,6.19
+O=c1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2[nH]1,CHEMBL3403136,7.22
+O=S(=O)(c1ccc(Cl)cc1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1,CHEMBL3403135,7.03
+O=S(=O)(c1ccc(Cl)cc1)c1sc2nc(F)ccc2c1-c1ccc(Cl)cc1,CHEMBL3403134,7.59
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2c(F)cncc2F)c1,CHEMBL3403133,7.72
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccncc2F)c1,CHEMBL3403132,7.36
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccncc2Cl)c1,CHEMBL3403131,7.36
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cnccc2F)c1,CHEMBL3403130,7.82
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cnccc2Cl)c1,CHEMBL3403129,8.03
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cc(F)cc(F)c2)c1,CHEMBL3403128,8.62
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccc(F)c(F)c2)c1,CHEMBL3403127,8.57
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccccc2F)c1,CHEMBL3403126,8.82
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(F)c2)c1,CHEMBL3403125,8.72
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccc(F)cc2)c1,CHEMBL3403124,8.55
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(Cl)c2)c1,CHEMBL3403123,8.14
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccc(Cl)cc2)c1,CHEMBL3403122,8.66
+N#Cc1cccc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccccc2F)c1,CHEMBL3403121,8.74
+N#Cc1cccc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(F)c2)c1,CHEMBL3403120,8.38
+N#Cc1cccc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccc(F)cc2)c1,CHEMBL3403119,8.06
+N#Cc1cccc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(Cl)c2)c1,CHEMBL3403118,7.84
+N#Cc1cccc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2ccc(Cl)cc2)c1,CHEMBL3403117,8.05
+Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3F)c2c1,CHEMBL3403116,7.24
+Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3cccc(F)c3)c2c1,CHEMBL3403115,7.43
+CS(=O)(=O)Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1,CHEMBL3403114,6.78
+Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1,CHEMBL3403113,7.72
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncc(Cl)cc2c1-c1ccc(Cl)cc1,CHEMBL3403112,7.16
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncc(F)cc2c1-c1ccc(Cl)cc1,CHEMBL3403111,6.91
+CN(C)c1ccnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c12,CHEMBL3403110,7.59
+Nc1ccnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c12,CHEMBL3403109,7.83
+O=S(=O)(c1ccc(Cl)cc1)c1sc2nccc(F)c2c1-c1ccc(Cl)cc1,CHEMBL3403106,6.67
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccoc2)c1,CHEMBL3403105,7.89
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cnccc2F)c1,CHEMBL3403104,7.87
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cnccc2Cl)c1,CHEMBL3403103,8.03
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2F)c1,CHEMBL3403102,8.96
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1,CHEMBL3403101,8.66
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1,CHEMBL3403100,8.62
+N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(Cl)c2)c1,CHEMBL3403099,8.05
+N#Cc1cccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)sc3ncccc23)c1,CHEMBL3403098,7.07
+COc1ccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)sc3ncccc23)cc1,CHEMBL3403096,7.64
+Cc1cccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)sc3ncccc23)c1,CHEMBL3403095,7.85
+Cc1ccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)sc3ncccc23)cc1,CHEMBL3403094,8.52
+N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1,CHEMBL3403093,8.32
+N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1,CHEMBL3403092,8.35
+N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2Cl)c1,CHEMBL3403091,8.46
+N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(Cl)c2)c1,CHEMBL3403090,7.84
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cnccc1F,CHEMBL3403088,7.21
+Cc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)sc3ncccc23)cc1,CHEMBL3403086,7.68
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1F,CHEMBL3403085,7.57
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccccc1F,CHEMBL3403084,7.29
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cccc(F)c1,CHEMBL3403083,7.42
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1,CHEMBL3400179,7.66
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(Cl)c(Cl)c1,CHEMBL3403082,7.51
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccccc1Cl,CHEMBL3403081,7.19
+O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cccc(Cl)c1,CHEMBL3403080,7.43
+O=S(=O)(c1cccnc1)c1sc2ncccc2c1-c1ccc(Cl)cc1,CHEMBL3401597,6.54
+Cc1cc(C)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3401595,7.62
+Cc1cnc(N2CCC/C(=C\C#Cc3cccc(C)n3)C2)c([N+](=O)[O-])c1,CHEMBL3597603,6.95
+Cc1cccc(C#CC=C2CCN(c3ncc(-c4ccccc4)cc3C#N)CC2)n1,CHEMBL3597602,8.54
+Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3ccc(C#N)cn3)CC2)n1,CHEMBL3597600,9.4
+O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2cccc(Cl)c2)CC1,CHEMBL3597598,9.4
+Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)c1,CHEMBL3597597,9.4
+Cc1cccc(C#CC=C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1,CHEMBL3597596,9.7
+Cc1cccc(C#CC=C2CCN(c3ccccc3)CC2)n1,CHEMBL3597595,7.04
+Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)n1,CHEMBL3597594,10.52
+O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccn2)CC1,CHEMBL3597593,10.0
+O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccc2)CC1,CHEMBL3597592,9.22
+O=[N+]([O-])c1cccnc1N1CCN(CC#Cc2ccccc2)CC1,CHEMBL3597591,6.93
+C=Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1,CHEMBL3597586,8.89
+O=C(C#Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1,CHEMBL3597585,8.74
+O=C(C#Cc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1,CHEMBL3597584,9.22
+Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1,CHEMBL3642985,7.7
+Cc1nc(C#Cc2ccc(-c3ccccc3F)nc2)cs1,CHEMBL3642986,8.7
+Cc1nc(C#Cc2ccc(-c3cccc(F)c3)nc2)cs1,CHEMBL3642987,8.57
+Cc1nc(C#Cc2ccc(-c3ccccc3C#N)nc2)cs1,CHEMBL3642988,8.59
+Cc1nc(C#Cc2ccc(-c3ccccc3C)nc2)cs1,CHEMBL3642989,9.0
+COc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3642990,8.92
+Cc1nc(C#Cc2ccc(-c3ccccc3Cl)nc2)cs1,CHEMBL3642991,9.15
+COc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3642992,9.05
+Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1,CHEMBL3642993,8.96
+Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1,CHEMBL3642994,9.22
+CSc1ccccc1-c1ncc(C#Cc2csc(C)n2)cn1,CHEMBL3642995,8.12
+Cc1nc(C#Cc2cnc(-c3ccccc3Cl)nc2)cs1,CHEMBL3642996,8.59
+Cc1nc(C#Cc2cnc(-c3cccc(C)c3C)nc2)cs1,CHEMBL3642997,8.07
+Cc1nc(C#Cc2ccc(-n3ccc4cccnc43)nc2)cs1,CHEMBL3642998,8.42
+Cc1nc(C#Cc2ccc(-n3ccc4ccncc43)nc2)cs1,CHEMBL3642999,7.71
+Cc1nc(C#Cc2ccc(N3CCCCC3)nc2)cs1,CHEMBL3643000,8.55
+Cc1nc(C#Cc2ccc(N3CCCC3C)nc2)cs1,CHEMBL3643001,8.85
+Cc1nc(C#Cc2cnc(N3CCCC3C)nc2)cs1,CHEMBL3643002,8.82
+Cc1nc(C#Cc2cnc(NC(C)(C)C)nc2)cs1,CHEMBL3643003,9.025
+Cc1nc(C#Cc2cnc(N3CCCC(C)C3)nc2)cs1,CHEMBL3643004,8.8
+Cc1nc(C#Cc2cnc(N3CCCCC3)nc2)cs1,CHEMBL3643005,8.59
+Cc1nc(C#Cc2cnc(OC(C)C)nc2)cs1,CHEMBL3643006,8.05
+Cc1nc(C#Cc2ccc(OC(C)C)nc2)cs1,CHEMBL3643007,8.7
+Cc1nc(C#Cc2ccc(OC(C)(C)C)nc2)cs1,CHEMBL3643008,9.0
+Cc1nc(C#Cc2ccc(SC(C)(C)C)nc2)cs1,CHEMBL3643009,9.05
+Cc1nc(C#Cc2cnc(SC(C)(C)C)nc2)cs1,CHEMBL3643010,8.0
+Cc1nc(C#Cc2ccc(C3CCCCC3)nc2)cs1,CHEMBL3643011,8.64
+Cc1nc(C#Cc2ccc(C(C)(C)C)nc2)cs1,CHEMBL3643012,7.91
+Cc1nc(C#Cc2cnc(C3CCCCC3)nc2)cs1,CHEMBL3643013,8.32
+Cc1nc(C#Cc2ccc(-c3ccc(F)cc3F)nc2)cs1,CHEMBL3643014,8.15
+Cc1cc(C#N)cc(-c2ccc(C#Cc3csc(C)n3)cn2)c1,CHEMBL3643015,7.82
+Cc1nc(C#Cc2ccc(-c3cccc4ncccc34)nc2)cs1,CHEMBL3643016,8.3
+Cc1nc(C#Cc2ccc(-c3c(C)cccc3C)nc2)cs1,CHEMBL3643017,8.52
+COc1ccc(C#N)cc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643018,8.0
+Cc1ccc(C)c(-c2ccc(C#Cc3csc(C)n3)cn2)c1,CHEMBL3643019,8.1
+Cc1nc(C#Cc2ccc(-n3ccc4ccccc43)nc2)cs1,CHEMBL3643020,8.4
+Cc1nc(C#Cc2ccc(N3CCSCC3)nc2)cs1,CHEMBL3643021,8.05
+Cc1nc(C#Cc2cncc(Nc3cccnc3)c2)cs1,CHEMBL3643022,8.3
+Cc1nc(C#Cc2ccc(NC3CCC3)nc2)cs1,CHEMBL3643023,7.77
+Cc1nc(C#Cc2cncc(-c3cccc(Cl)c3)c2)cs1,CHEMBL3643024,9.19
+Cc1nc(C#Cc2ccc(-c3ccccc3CO)nc2)cs1,CHEMBL3643025,8.7
+Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1,CHEMBL3643026,8.15
+Cc1nc(C#Cc2ccc(-c3ccc(F)cc3)nc2)cs1,CHEMBL202003,8.7
+COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643027,7.72
+Cc1nc(C#Cc2ccc(-c3cc(C#N)ccc3F)nc2)cs1,CHEMBL3643028,7.9
+Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1,CHEMBL3643029,8.26
+Cc1nc(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1,CHEMBL3643030,7.92
+COc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1F,CHEMBL3643031,8.05
+Cc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1,CHEMBL3643032,8.7
+Cc1nc(C#Cc2ccc(N3C4CCC3CC4)nc2)cs1,CHEMBL3643033,8.1
+Cc1ccc(F)c(-c2ccc(C#Cc3csc(C)n3)cn2)c1,CHEMBL3643034,8.82
+CCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643035,8.4
+Cc1nc(C#Cc2ccc(-c3cccc(CO)c3)nc2)cs1,CHEMBL3643036,7.89
+Cc1nc(C#Cc2ccc(N3CCCCCC3)nc2)cs1,CHEMBL3643037,8.12
+Cc1nc(C#Cc2ccc(N3C(C)CCC3C)nc2)cs1,CHEMBL3643038,8.82
+CCC(C)(C)Nc1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643039,8.4
+Cc1nc(C#Cc2ccc(-c3cccc(Cl)c3C)nc2)cs1,CHEMBL3643040,8.82
+Cc1nc(C#Cc2ccc(N3CCCC(F)C3)nc2)cs1,CHEMBL3643041,7.92
+CC[C@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643042,7.96
+Cc1nc(C#Cc2ccc(-c3cccc(C)c3C)nc2)cs1,CHEMBL3643043,8.4
+CSc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643044,9.1
+Cc1nc(C#Cc2cncc(-c3ccc(CO)cc3)c2)cs1,CHEMBL3643045,8.1
+CCC(CC)Nc1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643046,8.05
+Cc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1,CHEMBL3643047,8.15
+CC[C@@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643048,8.15
+Cc1nc(C#Cc2ccc(N3CCCC3)nc2)cs1,CHEMBL3643049,7.85
+Cc1nc(C#Cc2ccc(-c3cccc(C#N)c3)nc2)cs1,CHEMBL3643050,8.3
+COCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3643051,8.35
+Cc1nc(C#Cc2ccc(NC(C)(C)C)nc2)cs1,CHEMBL3643052,8.15
+Cc1nc(C#Cc2ccc(C3CC4CCC3C4)nc2)cs1,CHEMBL3643053,8.7
+Cc1nc(C#Cc2ccc(N3CC4CCC3C4)nc2)cs1,CHEMBL3643054,8.12
+Cc1nc(C#Cc2ccc(C3CCCC3)nc2)cs1,CHEMBL3643055,8.4
+Cc1nc(C#Cc2cncc(C3CC3)c2)cs1,CHEMBL3643056,8.52
+Cc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1,CHEMBL3643057,7.89
+Cc1nc(C#Cc2ccc(Oc3ccccc3)nc2)cs1,CHEMBL3643058,7.8
+Cc1cncc(C#Cc2csc(C)n2)c1,CHEMBL332396,8.52
+Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1,CHEMBL3643059,8.22
+Cc1nc(C#Cc2cncc(N(C)c3cccnc3)c2)cs1,CHEMBL3643060,8.7
+CCC(C)Sc1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3645551,7.92
+Cc1nc(C#Cc2cncc(-c3ccccc3CO)c2)cs1,CHEMBL3645552,8.15
+Cc1nc(C#Cc2cncc(-c3cccc(C#N)c3)c2)cs1,CHEMBL3645553,9.0
+CCCN(C)c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3645554,8.15
+Cc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1,CHEMBL3645555,8.4
+CCOc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1,CHEMBL3645556,8.7
+Cc1nc(C#Cc2cncc(Cl)c2)cs1,CHEMBL3645557,8.4
+Cc1nc(C#Cc2cncc(Oc3cccnc3)c2)cs1,CHEMBL3645558,9.0
+Cc1nc(C#Cc2cnc(N3CCCC(CO)C3)nc2)cs1,CHEMBL3645559,8.15
+Cc1nc(C#Cc2cnc(N3CCCCCC3)nc2)cs1,CHEMBL3645560,8.52
+CCC(C)Nc1ncc(C#Cc2csc(C)n2)cn1,CHEMBL3645561,8.22
+Cc1nc(C#Cc2cnc(O[C@@H](C)c3ccccc3)nc2)cs1,CHEMBL3645562,8.05
+Cc1nc(C#Cc2cnc(N3CCCCC3C)nc2)cs1,CHEMBL3645563,8.3
+Cc1nc(C#Cc2cnc(N3CCCC3)nc2)cs1,CHEMBL3645564,7.89
+CCN(CC)c1ncc(C#Cc2csc(C)n2)cn1,CHEMBL3645565,8.1
+Cc1nc(C#Cc2cnc(-n3ccc4ccncc43)nc2)cs1,CHEMBL3645566,7.48
+Cc1nc(C#Cc2cnc(N3CCSCC3)nc2)cs1,CHEMBL3645567,7.64
+Cc1nc(C#Cc2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1,CHEMBL3645568,7.62
+Cc1nc(C#Cc2cnc(NC3CCCC3)nc2)cs1,CHEMBL3645569,7.59
+Cc1nc(C#Cc2cnc(N3CC=CC3)nc2)cs1,CHEMBL3645570,8.22
+Cc1nc(C#Cc2cnc(-c3ccccc3F)nc2)cs1,CHEMBL3645571,8.22
+Cc1nc(C#Cc2cnc(N3CCCCC3CO)nc2)cs1,CHEMBL3645572,8.05
+Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C)n2)(C4)C3)n1,CHEMBL3759750,8.17
+O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,CHEMBL3764943,7.94
+O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1,CHEMBL3763653,8.08
+O=S(=O)(c1ccc(Cl)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,CHEMBL3764419,8.28
+N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(Cl)cc2)c1,CHEMBL3765114,8.28
+Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2-c2ccc(Cl)cc2)cc1,CHEMBL3764138,8.02
+Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C)CC2)cc1,CHEMBL3765437,7.66
+Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1C,CHEMBL3765747,7.17
diff --git a/chembl_200/CHEMBL258.csv b/chembl_200/CHEMBL258.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e423d222f95366673513c40f7834d878648d3a0e
--- /dev/null
+++ b/chembl_200/CHEMBL258.csv
@@ -0,0 +1,378 @@
+Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NCC2CCCO2)n1,CHEMBL432189,9.27
+Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1,CHEMBL312933,9.05
+Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1,CHEMBL67237,8.33
+CNc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1,CHEMBL90002,8.18
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,7.2
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.3
+Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,CHEMBL103667,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.8
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.5
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,6.4
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,7.4
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,6.835
+O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,CHEMBL387385,5.92
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL230686,7.53
+COc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1N1CCN(C)CC1,CHEMBL270608,5.55
+Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(C=O)n3)ccc12,CHEMBL237127,7.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.8
+Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1,CHEMBL259922,6.6
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,5.7
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12,CHEMBL256101,7.93
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,7.0
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.5
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,5.5
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.9
+CCOc1ccccc1Oc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(=O)Nc1c(C)cccc1C,CHEMBL459044,7.89
+COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21,CHEMBL458333,10.4
+COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21,CHEMBL502156,7.96
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,7.8
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.7
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.3
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.6
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,5.6
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.8
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,5.7
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1,CHEMBL1765781,6.31
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,6.7
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.8
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,6.4
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.4
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.7
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.6
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,7.2
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.6
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.8
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.6
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,7.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.3
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,6.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1988778,6.3
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,6.8
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,5.9
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.3
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,9.0
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.4
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.1
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.4
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.4
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.6
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.8
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,5.9
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.9
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.3
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.6
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3Cl)n2)c1)c1ccccc1,CHEMBL2005824,5.4
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.6
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.6
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,8.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,7.0
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,8.4
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,5.0
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.9
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.7
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.5
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,6.0
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,6.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,9.0
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.3
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.0
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,6.4
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.5
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,7.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,7.1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.9
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,8.8
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.6
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,7.0
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,5.9
+CN(C)c1c(NC(=O)Cc2ccccc2)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1971485,5.9
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,7.9
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.9
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,7.9
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.6
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,7.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.4
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,9.0
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,5.4
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.0
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,5.6
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.3
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,7.1
+Cc1cc(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1993996,6.0
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.9
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,8.0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.6
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.9
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,8.0
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,6.0
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.8
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.0
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,6.7
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,6.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,6.7
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.2
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.0
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.3
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.8
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,5.4
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.9
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,5.4
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.0
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.1
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,7.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,6.2
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.9
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.7
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.6
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,5.8
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,7.5
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.8
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.6
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.5
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.4
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.9
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.4
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.6
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.5
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.1
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.4
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.3
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.3
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.3
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.8
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.1
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.9
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1,CHEMBL1985491,5.8
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.8
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,8.0
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.7
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.9
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.2
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.8
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.9
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.8
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.8
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,7.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.3
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,8.8
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.7
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,6.1
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.8
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.2
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.1
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,6.7
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.4
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,6.0
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.2
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL271441,7.1
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,8.1
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.2
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.9
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.6
+Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL273187,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,8.4
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.9
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)ccc1F,CHEMBL1986979,6.6
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,6.7
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,6.1
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.9
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.6
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,6.2
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.4
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.9
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.5
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,5.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.8
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.3
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.7
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.8
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.6
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,7.8
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.7
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.6
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,8.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,8.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.0
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.9
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.1
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,5.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,6.8
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,6.7
+CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(=O)(O)O,CHEMBL415049,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.4
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,6.5
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.2
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.1
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,6.1
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.8
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.2
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,8.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.2
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,5.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.0
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.5
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,8.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.4
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,6.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.2
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.5
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,7.1
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,6.0
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.8
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.7
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,7.0
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.7
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,6.0
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,7.1
+COc1cc(Nc2ncnc3ccc(-c4ccc(CN5CC6C(CO)C6C5)cc4)cc23)ccc1Oc1ccccc1,CHEMBL1999749,6.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.3
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,5.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.5
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,5.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,7.4
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,6.9
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.0
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.5
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,5.9
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,5.8
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1994638,6.3
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,6.5
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.5
+Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,8.6
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,5.6
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.2
+CC(C)Nc1nccc(Nc2ncc(-c3ccccc3)s2)n1,CHEMBL2002432,7.1
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.7
+Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1381197,6.5
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.8
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.6
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.2
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.8
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.9
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.8
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.4
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.5
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,6.6
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.8
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.7
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,6.6
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.2
+CN(C)c1c(NC(=O)c2c(F)cccc2F)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1992473,6.3
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,8.6
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,8.1
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,6.3
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.4
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,5.6
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,5.8
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.9
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,5.7
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL374044,6.4
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21,CHEMBL404366,7.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.7
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.1
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1Cl,CHEMBL2062938,7.1
+c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,CHEMBL2087875,6.86
+CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)c1,CHEMBL2170582,6.94
+CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1,CHEMBL2441277,7.0
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4cccnc4s3)n2)CC1,CHEMBL2441276,7.0
+COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1,CHEMBL2441275,7.1
+N#Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441274,7.2
+CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441273,7.0
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccc(C(F)(F)F)cc4s3)n2)CC1,CHEMBL2441272,7.3
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccc(Cl)cc4s3)n2)CC1,CHEMBL2441271,7.1
+Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441270,6.6
+O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccccc4s3)n2)CC1,CHEMBL2441269,6.5
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+COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441112,6.9
+COc1ccc2nc(Nc3cc(C(F)(F)c4ccc(F)cc4)nc(N4CCC[C@H]4C(N)=O)n3)sc2c1,CHEMBL2441111,5.6
+COc1ccc2nc(Nc3cc(C(F)(F)c4ccc(F)cc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1,CHEMBL2441286,6.6
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+O[C@H]1CC[C@H](Nc2nc(Nc3ncc(Cc4ccccc4)s3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441283,7.0
+O[C@H]1CC[C@H](Nc2nc(Nc3ccc(Oc4ccc(F)cc4)cn3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441282,6.3
+O[C@H]1CC[C@H](Nc2nc(Nc3cc4ccccc4cn3)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441281,7.0
+O[C@H]1CC[C@H](Nc2nc(Nc3[nH]nc4ccccc34)cc(C(F)(F)c3ccc(F)cc3)n2)CC1,CHEMBL2441280,4.8
+CS(=O)(=O)N1CCOC(CNc2nc(Cc3ccccc3)cc(Nc3cc(-c4ccco4)n[nH]3)n2)C1,CHEMBL2441279,6.3
+NC(=O)C1CCN1c1nc(Cc2ccccc2)cc(Nc2cc(C3CCC3)n[nH]2)n1,CHEMBL2441278,6.3
+COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1,CHEMBL3086533,5.77
+COc1ccc(C2CC2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1,CHEMBL3086329,6.05
+CN(C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cccnc4)cc3s2)cc1,CHEMBL3086534,6.36
+CN(C)Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1,CHEMBL3086537,6.82
+CCN(CC)Cc1cc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)ccc1OC,CHEMBL3086538,6.96
+CN(C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1,CHEMBL3086536,7.26
+CN(C)Cc1ccc(C2CC2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1,CHEMBL3086535,7.34
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,5.7
+CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2[nH]nc3c2CCC(C)(C)C3)cn1,CHEMBL3298371,6.47
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@@H](CCS(C)(=O)=O)c3ccccc3)c2)C1,CHEMBL3298374,5.74
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@H](c3ccccc3)C3CCS(=O)(=O)CC3)c2)C1,CHEMBL3426304,6.22
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@H](c3ccccc3)C3CCS(=O)CC3)c2)C1,CHEMBL3426305,5.99
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@H](c3ccccc3)C3CCS(=O)(=O)C3)c2)C1,CHEMBL3426301,6.635
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn(Cc3ccccc3)c2)C1,CHEMBL3298288,5.74
+CC12Cc3n[nH]c(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2,CHEMBL3298369,5.85
+CC12Cc3n[nH]c(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2(F)F,CHEMBL3426307,6.22
+C[C@@]12Cc3n[nH]c(C(=O)Nc4cnn([C@H](c5ccccc5)C5CCS(=O)(=O)CC5)c4)c3C[C@@H]1C2,CHEMBL3426308,6.59
+C[C@@]12Cc3n[nH]c(C(=O)Nc4cnn([C@H](c5ccccc5)[C@H]5CCCCS5(=O)=O)c4)c3C[C@@H]1C2(F)F,CHEMBL3426309,6.34
+CN(C)CCOc1ccc(-c2oc3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1,CHEMBL2087874,6.86
+C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,CHEMBL3182647,7.01
diff --git a/chembl_200/CHEMBL259.csv b/chembl_200/CHEMBL259.csv
new file mode 100644
index 0000000000000000000000000000000000000000..a226b71995948e31d6609353d1a2f9be98b3e5f9
--- /dev/null
+++ b/chembl_200/CHEMBL259.csv
@@ -0,0 +1,1719 @@
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+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL314401,7.24
+C[C@@H]1NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O,CHEMBL436903,5.77
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL439188,7.24
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL313690,6.17
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL313279,6.66
+N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL433413,6.2
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL432377,7.06
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL2370154,9.0
+N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL606990,6.72
+CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL415333,8.51
+Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1,CHEMBL140738,8.92
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+CCN(C(C)=O)C(C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NC2CCC2)Cc2ccc(Cl)cc2)CC1,CHEMBL125819,8.22
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+CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL407825,6.8
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316259,6.8
+N#CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88630,6.96
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+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316038,6.36
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+CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL264306,6.82
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88537,7.0
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL50056,6.58
+CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88185,6.77
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL89004,7.0
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL431801,8.14
+COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL315258,6.46
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL89270,6.74
+CC(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL313377,7.01
+CSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL327450,6.68
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL92481,8.3
+CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL406276,6.92
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL328117,6.85
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL432565,7.31
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL329586,7.06
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL86573,6.77
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL91957,7.18
+CC(C)Oc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL164884,6.34
+CN(C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL423250,5.96
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL351400,5.18
+Cn1ccnc1Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL353239,6.77
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL349887,7.62
+Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL349427,5.77
+Cc1nccn1Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL164857,6.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL423101,6.96
+CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL349850,7.22
+COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL166328,5.96
+C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL351088,6.47
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL351705,5.72
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CO)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL422027,6.2
+CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL164671,6.64
+CC(C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL352063,6.14
+Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL164969,5.77
+C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL351161,6.46
+CS(=O)(=O)NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL406764,6.68
+Cn1ccnc1COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL352457,6.28
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1Cc2ccccc2CN1,CHEMBL167780,5.62
+CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL338594,6.66
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OCc2ccccc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL162493,6.19
+CCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL352677,5.89
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Oc2ccccc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL165746,6.19
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL349886,7.57
+CCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL423619,6.24
+CCCN(CCC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL349515,7.46
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL439128,8.6
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL263878,5.0
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370966,5.32
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370967,8.34
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370964,8.24
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370968,9.66
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL427629,5.92
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370963,8.82
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL443590,6.34
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370965,5.89
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C,CHEMBL409049,7.92
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL409636,8.02
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL410168,7.66
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL438030,7.21
+O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12,CHEMBL2092821,4.59
+O=C(NCc1c[nH]c2ccccc12)[C@H]1CCCN1Cc1cccc2ccccc12,CHEMBL2093089,4.44
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1,CHEMBL1159702,4.85
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)O,CHEMBL1159698,4.18
+NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL9138,4.19
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12,CHEMBL1159699,5.0
+C=CCOC(=O)[C@H](CCCNC(=N)N)NCc1ccc2ccccc2c1,CHEMBL1159701,4.82
+N=C(N)NCCCNC(=O)[C@H](CCCNC(=N)N)NCc1ccc2ccccc2c1,CHEMBL313379,4.51
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12,CHEMBL1159697,5.17
+N=C(N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL447178,4.25
+NCCCNCc1ccc2ccccc2c1,CHEMBL8201,4.03
+N=C(N)NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL267020,5.417000000000001
+N=C(N)NCCCNCc1ccc2ccccc2c1,CHEMBL269689,4.25
+N=C(N)N1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL8561,4.17
+N=C(N)NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1,CHEMBL2113315,4.82
+NCCCCNC(=O)[C@H](CCCCNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL8418,4.62
+N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL8287,4.05
+NCCNCc1ccc2ccccc2c1,CHEMBL8743,5.06
+O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL8825,5.7
+NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1,CHEMBL266305,4.36
+NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL269776,4.585
+N=C(N)NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12,CHEMBL2113280,4.15
+NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL85918,5.7
+COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)c(C)n1C,CHEMBL124410,6.85
+Cn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1O,CHEMBL123660,5.03
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCC2,CHEMBL123263,6.74
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C,CHEMBL123258,6.52
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1,CHEMBL333702,5.7
+COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2n1CCCC2,CHEMBL332602,6.21
+COc1ccc(Br)cc1CCc1ccccc1-c1ncc(C)n1C,CHEMBL122491,6.74
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc[nH]1,CHEMBL421254,5.82
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCCC2,CHEMBL333075,6.47
+CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC,CHEMBL123113,5.89
+CCC(C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC,CHEMBL122382,5.6
+CCc1cn(C)c(-c2ccccc2CCc2cc(Br)ccc2OC)n1,CHEMBL123149,6.16
+CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC,CHEMBL434029,6.51
+COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C,CHEMBL122253,6.17
+COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)cn1C,CHEMBL122236,6.57
+COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2n1CCC2,CHEMBL123215,6.49
+CCc1cnc(-c2ccccc2CCc2cc(Br)ccc2OC)n1C,CHEMBL332584,6.49
+COc1ccc(Br)cc1CCc1ccccc1-c1nc(C(C)C)cn1C,CHEMBL332382,5.8
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL433645,8.4
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL436169,5.89
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370533,8.66
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333263,6.22
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(=O)NN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL123938,9.3
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL442504,10.22
+CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL122773,9.03
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL331728,6.96
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL332762,6.02
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420727,5.42
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL334309,7.24
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370553,8.82
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL331259,9.55
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333178,9.43
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL124169,9.06
+N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL432407,5.43
+CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL408843,9.24
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL434985,9.59
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420167,8.8
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL385465,10.02
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL407213,8.37
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333262,6.38
+CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL268851,9.07
+CCOC(=O)C1CCN(CNCc2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1,CHEMBL183114,6.96
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCOCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113020,7.28
+CN1CCN(Cc2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1,CHEMBL2113022,6.62
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCNCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113023,7.11
+CCOC(=O)CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL182900,6.85
+CN(C)CCN(Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL368022,7.66
+CC(C)COCCCNC(C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL180545,7.39
+CC(NCCN1CCOCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL362841,7.06
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(N)CCc3ccccc32)CC1,CHEMBL179889,7.33
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(N)Cc3ccccc3C2)CC1,CHEMBL362850,7.62
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(N)Cc2ccccc2)CC1,CHEMBL369104,7.28
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(N)Cc2ccccn2)CC1,CHEMBL181788,7.25
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(N)Cc2cccnc2)CC1,CHEMBL361985,7.31
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(N)c2ccccc2)CC1,CHEMBL182823,7.47
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCc2ccccc2)CC1,CHEMBL361210,7.48
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1,CHEMBL183831,7.52
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1,CHEMBL183799,8.32
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL366706,7.954
+CC(C)COCCCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL366708,6.96
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCN2CCOCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL180304,6.92
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCCN2CCCCCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL369348,6.8
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCCn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL181277,6.43
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCCN2CCCC2=O)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL360296,6.57
+N[C@H]1CCCC[C@@H]1NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL2113019,7.05
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNc2ccncc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL183610,7.44
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1,CHEMBL184275,6.19
+C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185469,6.08
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185455,6.24
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1,CHEMBL184432,6.08
+CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1,CHEMBL363730,6.23
+CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1,CHEMBL366042,5.89
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1,CHEMBL186339,5.82
+CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1,CHEMBL186439,5.85
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1,CHEMBL193409,5.98
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1,CHEMBL362964,6.18
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1,CHEMBL371366,6.65
+N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL195638,5.73
+N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL191975,5.1
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL195548,6.42
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL192354,6.19
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL194011,6.86
+N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL371365,7.54
+COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C(=O)[C@H](CCCNC(=N)N)NC(=O)Cc2cccc3ccccc23)cc1,CHEMBL193715,7.33
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL364519,6.61
+N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL372965,5.56
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL372966,6.59
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL192450,6.48
+N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL191794,6.51
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL413565,6.96
+N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1CN)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL1161794,4.97
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Nc3ccc(F)cc3)CCCCC2)CC1,CHEMBL189032,6.68
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Nc3ccc(Cl)cc3)CCCCC2)CC1,CHEMBL187439,6.38
+COc1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL188432,7.44
+CN(C)c1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL433555,7.21
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3nccs3)CCCCC2)CC1,CHEMBL2113035,7.31
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCC3=NCC=CC3)CCCCC2)CC1,CHEMBL189172,7.44
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1,CHEMBL425353,6.66
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1,CHEMBL189601,6.72
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3)CCCCC2)CC1,CHEMBL363445,6.68
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1,CHEMBL365223,6.62
+COc1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL185934,6.6
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)CC1,CHEMBL413064,6.27
+COC(=O)c1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL188980,6.59
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)C(F)(F)F)CCCCC2)CC1,CHEMBL364772,6.31
+COc1ccccc1C(=O)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)CCCCC1,CHEMBL365893,6.46
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(OC(F)(F)F)cc3)CCCCC2)CC1,CHEMBL185625,6.4
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)CC1,CHEMBL186370,6.92
+Cc1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL186188,6.57
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(C(F)(F)F)cc3)CCCCC2)CC1,CHEMBL433598,6.47
+CC(C)(C)c1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL363877,6.28
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccco3)CCCCC2)CC1,CHEMBL191159,6.59
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1,CHEMBL189341,6.64
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)C3=CNCC=C3)CCCCC2)CC1,CHEMBL363239,6.66
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccncc3)CCCCC2)CC1,CHEMBL2113033,6.82
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL185862,8.125
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccc(F)cc3)CCCCC2)CC1,CHEMBL361882,7.68
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccc(Cl)cc3)CCCCC2)CC1,CHEMBL189004,7.64
+COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1,CHEMBL363019,8.12
+COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL364560,8.437000000000001
+COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1OC,CHEMBL187390,7.74
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1,CHEMBL188651,8.08
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1,CHEMBL365465,7.92
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CN)CCCCC2)CC1,CHEMBL365491,6.54
+CC(C)CNCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)CCCCC1,CHEMBL366313,6.74
+CC(C)(C)CCNCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)CCCCC1,CHEMBL187657,6.47
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCC3CCCCC3)CCCCC2)CC1,CHEMBL187521,6.66
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCCc3ccccc3)CCCCC2)CC1,CHEMBL188341,7.22
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1,CHEMBL365237,7.96
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3)CCCCC2)CC1,CHEMBL361693,7.74
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1,CHEMBL187659,7.905
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccc(F)cc3)CCCCC2)CC1,CHEMBL361719,7.21
+N#Cc1ccc(CNCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL186227,7.04
+CN(C)c1ccc(CNCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL366334,6.96
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccc(C(F)(F)F)cc3)CCCCC2)CC1,CHEMBL362158,7.35
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccc(OC(F)(F)F)cc3)CCCCC2)CC1,CHEMBL187224,7.66
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL362670,6.07
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL180937,5.82
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1,CHEMBL185195,4.52
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL361052,5.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(C2CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL363757,4.24
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL263182,6.41
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL405150,6.0
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL360716,8.19
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(N)C2CCc3ccccc32)CC1,CHEMBL183134,6.92
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(N)CCc3ccccc3C2)CC1,CHEMBL368023,8.0
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1,CHEMBL182277,8.2
+NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL183434,6.42
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNC2CC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL363684,7.05
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNC2CCCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL364577,7.18
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCc2ccco2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL413556,7.28
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL365278,7.57
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccc(F)c2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL365279,7.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccc(F)cc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL184526,7.09
+NCCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL184068,6.9
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCCO)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL184325,6.92
+O=C(O)CCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL360169,6.31
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCC2CCNCC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL359777,6.99
+CN(CCO)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL183890,7.26
+COCCN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL360989,7.31
+CN(Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL185427,7.08
+CN(Cc1cccnc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL182231,7.11
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+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCC(N3CCCC3)CC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL363074,7.62
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCN(c3ccccc3)CC2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL362880,6.84
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+CC(NC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL185145,7.64
+CC(NC1CCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL185417,7.96
+CC(NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL365636,7.92
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+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL340355,6.57
+CC(NCCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL362147,7.62
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+CC(NC1CCC(N)CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL366321,7.6
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+CS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195414,7.85
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195071,8.62
+O=C(N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL195172,5.44
+O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL193786,5.64
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1,CHEMBL363641,8.51
+COc1ccc2ccccc2c1CCCCN1CCN(CC(c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1,CHEMBL362985,8.1
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+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186083,7.683
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL365597,8.74
+O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL363561,5.96
+N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL365940,7.03
+CC(C)CN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL193061,7.64
+O=C([C@@H](Cc1ccc(Cl)cc1Cl)NCC1CC1)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191645,7.74
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL364913,7.64
+O=C(N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL366171,6.38
+O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1,CHEMBL370926,5.24
+O=C([C@@H](Cc1ccc(Cl)cc1Cl)NCc1nccs1)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192153,7.8
+O=C([C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccccc1)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL435933,7.51
+NCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191831,7.74
+CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL363190,8.85
+O=C(NC1CC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191701,8.68
+NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL364463,8.7
+COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192090,8.55
+CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191857,8.62
+O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195734,8.3
+COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL373099,8.3
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+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF,CHEMBL436122,8.49
+CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192464,8.35
+CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL363576,8.77
+O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195308,8.54
+O=C(NC1CCCC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194990,8.89
+CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194987,8.7
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1,CHEMBL195110,8.82
+CN(CCc1cccs1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL361714,6.66
+CC(NCCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL363688,6.96
+CC(NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL185725,6.85
+CC(NCc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL365874,6.92
+CC(Nc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL184542,6.33
+CC(NCCNc1cccc2ccccc12)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL366303,6.54
+CC(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1)N1CCN(c2ccccc2)CC1,CHEMBL184643,6.37
+CC(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1)N1CCN(C)CC1,CHEMBL186629,7.07
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+CC(NCCN1CCCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL184623,6.68
+CCC(NCCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCN)CC1,CHEMBL264983,6.85
+NC(C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccc(Cl)cc1,CHEMBL187147,5.74
+CC(C)(C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccc(Cl)cc1,CHEMBL186030,5.42
+N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186239,6.22
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL360422,5.41
+NC(Cc1ccccc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186794,6.0
+NC(CC(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccc(Cl)cc1,CHEMBL185852,5.27
+NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186696,5.19
+O=C(CCc1ccc(Cl)cc1)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL185200,6.0
+O=C([C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)CC(F)(F)F)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL365082,6.39
+NCCC(=O)OC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL184424,6.54
+NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL390130,7.36
+CN(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL263066,7.42
+NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186289,7.85
+CC(C)(N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL361074,7.18
+CC(C)CC(N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL184272,7.52
+O=C(CC1CCCN1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186737,7.4
+NC1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3CNCCc3cccs3)CC2)CC1,CHEMBL186732,7.34
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCN1,CHEMBL441675,7.32
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCN1,CHEMBL187957,7.3
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCCN1,CHEMBL434345,7.12
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCNCC1,CHEMBL363122,7.59
+COCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186841,7.155
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1,CHEMBL364215,7.39
+CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C,CHEMBL415165,9.51
+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL412536,8.09
+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL428326,8.28
+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL414718,9.57
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2373515,9.28
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+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL412523,9.52
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+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL407809,9.55
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cncn2C)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL264132,8.18
+CC(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL385556,8.64
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL412494,8.6
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL412495,8.91
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+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2NCCC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113132,5.8
+CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21,CHEMBL2113133,5.11
+CS(=O)(=O)N1CCCc2cccc(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21,CHEMBL194368,6.05
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+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2NCC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113134,5.68
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113135,5.32
+CC(=O)N1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113136,6.3
+CS(=O)(=O)N1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113137,6.22
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+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113144,5.38
+NC1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113145,6.62
+CC(=O)NC1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113146,6.39
+CN(C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1)S(C)(=O)=O,CHEMBL2113147,6.28
+CNC1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113148,6.82
+CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113149,7.15
+CCN(CC)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113150,6.77
+CCCN(CCC)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113151,6.74
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CC(NC2CCC2)CC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113152,6.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CC(NC2CO2)CC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113153,6.64
+CN(C)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113154,7.3
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+CC(c1ccccc1)N1CCN(C)CC1,CHEMBL195009,6.15
+CCN(CC)CC(c1ccccc1)N1CCN(C)CC1,CHEMBL448473,7.05
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+CCN(CC)CC(CCc1ccccc1)N1CCN(C)CC1,CHEMBL195998,6.89
+CCN(CC)CC(CCCc1ccccc1)N1CCN(C)CC1,CHEMBL194464,6.96
+CCN(CC)CC(c1ccccc1C(F)(F)F)N1CCN(C)CC1,CHEMBL365184,7.4
+CCN(CC)CC(c1cccc(C(F)(F)F)c1)N1CCN(C)CC1,CHEMBL194761,6.82
+CCN(CC)CC(c1ccc(C(F)(F)F)cc1)N1CCN(C)CC1,CHEMBL199003,6.7
+CCN(CC)CC(c1ccccc1Cl)N1CCN(C)CC1,CHEMBL198320,7.15
+CCN(CC)CC(c1ccccc1C)N1CCN(C)CC1,CHEMBL198378,7.15
+CCN(CC)CC(c1ccccc1F)N1CCN(C)CC1,CHEMBL198379,7.7
+CCN(CC)CC(c1ccccc1OC)N1CCN(C)CC1,CHEMBL371105,6.72
+CCN(CC)CC(c1c(F)cccc1F)N1CCN(C)CC1,CHEMBL199071,6.82
+CCN(CC)CC(c1ccc(F)cc1F)N1CCN(C)CC1,CHEMBL197288,7.0
+COC(=O)NCC(c1ccccc1F)N1CCN(C)CC1,CHEMBL197289,6.32
+CN1CCN(C(CNS(C)(=O)=O)c2ccccc2F)CC1,CHEMBL198544,6.33
+CC(=O)NCC(c1ccccc1F)N1CCN(C)CC1,CHEMBL198665,6.33
+CCN(CC(c1ccccc1F)N1CCN(C)CC1)C(=O)OC,CHEMBL198606,6.58
+CCN(CC(c1ccccc1F)N1CCN(C)CC1)S(C)(=O)=O,CHEMBL198607,6.8
+CCN(CC(c1ccccc1F)N1CCN(C)CC1)C(C)=O,CHEMBL197820,6.97
+CCN(CC)C(=O)C(c1ccccc1F)N1CCN(C)CC1,CHEMBL198319,6.9
+CCN(CC)C[C@H](c1ccccc1)N1CCN(C)CC1,CHEMBL197859,6.72
+CCN(CC)C[C@@H](c1ccccc1)N1CCN(C)CC1,CHEMBL373042,7.3
+CCN(CC)C[C@H](c1ccccc1F)N1CCN(C)CC1,CHEMBL381015,7.85
+CCN(CC)C[C@@H](c1ccccc1F)N1CCN(C)CC1,CHEMBL199192,6.95
+CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL371683,6.96
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3Cc4ccccc4CN3)CC2)CCCCC1,CHEMBL373037,7.8
+NC1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc2C1,CHEMBL197020,7.09
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3Cc4ccccc4CN3)CC2)CCCCC1,CHEMBL371063,7.96
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CCCCC1,CHEMBL198535,7.8
+NC1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc21,CHEMBL380769,6.59
+NC1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)Cc2ccccc2C1,CHEMBL381197,6.85
+NC(Cc1ccncc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL197541,6.92
+NC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL197328,6.89
+NC(CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1,CHEMBL197327,7.38
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3Cc4ccccc4N3)CC2)CCCCC1,CHEMBL197278,6.68
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3NCc4ccccc43)CC2)CCCCC1,CHEMBL433991,7.0
+NC(C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1,CHEMBL371945,7.1
+CC(C)COC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL198851,6.55
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3cnc4ccccc4c3)CC2)CCCCC1,CHEMBL370178,7.21
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)Cc3cccs3)CC2)CCCCC1,CHEMBL197435,7.1
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+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3cccnc3)CC2)CCCCC1,CHEMBL372576,7.22
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3ccco3)CC2)CCCCC1,CHEMBL199073,7.0
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+CC(C)(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL198723,6.12
+CCC(CC)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL198837,6.0
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+CCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL196758,6.82
+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3CCC3)CC2)CCCCC1,CHEMBL197075,6.85
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+O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3CC3)CC2)CCCCC1,CHEMBL198916,6.89
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+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1,CHEMBL379918,6.16
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12,CHEMBL205553,7.05
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1,CHEMBL382833,7.85
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1ccccc1Cl,CHEMBL205813,4.59
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl,CHEMBL206367,6.96
+CCN(CC)CCCC(C)/N=C(/NC)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC,CHEMBL381085,5.2
+CCN(CC)CCCC(C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)Nc1ccccc1,CHEMBL208329,5.39
+CCN(CC)CCCC(C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)NC(C)C,CHEMBL205898,5.6
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC,CHEMBL205461,6.05
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC,CHEMBL208376,7.96
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC,CHEMBL383117,9.08
+CCN1CCC(CNC(=N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1,CHEMBL205594,8.55
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCC1CCNCC1,CHEMBL439158,7.89
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN(C)Cc1cccc2ccccc12,CHEMBL204670,7.24
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN(C)Cc1ccccc1,CHEMBL380854,8.29
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CCc2ccccc2C1,CHEMBL205214,7.59
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CCC2CCCCC2C1,CHEMBL383120,7.68
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CCCCC1,CHEMBL205996,9.24
+CCN(CC)CCCC(C)NC(=N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC,CHEMBL205468,8.37
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCNC1CCCCC1,CHEMBL206141,7.1
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCN1CCN(C)CC1,CHEMBL206316,7.19
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCN1CCCCC1,CHEMBL207946,8.49
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCN1CCCC1,CHEMBL208268,6.72
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCC1CCCCC1,CHEMBL208367,5.59
+COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCC(C)C,CHEMBL208366,6.11
+CCCCNC(=N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC,CHEMBL205552,6.04
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL377961,7.545
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C(C)(C)N2)CC1,CHEMBL380540,8.24
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1,CHEMBL438432,7.13
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1,CHEMBL206840,7.02
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1,CHEMBL380365,7.98
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1,CHEMBL380858,7.76
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1,CHEMBL380855,8.14
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL264120,6.5
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL379959,6.61
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL379627,6.17
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL379531,5.24
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL211131,5.35
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCc3ccccc3C2)CC1,CHEMBL212535,7.85
+O=C(CC1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CC2CCCCC2)CC2CCCCC2)CC1,CHEMBL378568,6.49
+CC(C)CC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL209325,7.27
+O=C(CC1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(C2CCCCC2)C2CCCCC2)CC1,CHEMBL211078,7.46
+CC(C)CC(CC(C)C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL379051,7.74
+O=C(CC1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CN2C(=O)CCC2=O)C2CCCCC2)CC1,CHEMBL378411,7.912999999999999
+CCN(CC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)n2cc3ccccc3c2)CC1)S(C)(=O)=O,CHEMBL425609,8.15
+CCN(CC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1)S(C)(=O)=O,CHEMBL410087,8.37
+CS(=O)(=O)NCC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL209559,7.59
+CCN(CC)C(=O)C(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL209558,6.83
+O=C(CC1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CC2CCCCC2)CN2CCOCC2)CC1,CHEMBL377313,8.0
+O=C(CC1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C(CNC2CCC2)CC2CCCCC2)CC1,CHEMBL380391,7.92
+CCN(CC)CC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL209990,8.447000000000001
+CCN(CC)CC(CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1,CHEMBL377825,8.3
+CCN(CC)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CCCC1,CHEMBL211616,7.15
+CCN(CC)CC(CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL209825,7.89
+CCN(CC)CC(C1CCCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL379719,7.89
+CCN(CC)CC(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL379823,8.4
+CCN(CC)CC(C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL379423,8.4
+CCN(CC)CC(C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL405601,5.47
+COc1ccccc1CCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL206364,8.8
+COCC(C)NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL208860,8.06
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCCc2cccs2)CC1,CHEMBL380222,7.68
+COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1,CHEMBL211742,8.0
+COCC(C)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1,CHEMBL212308,6.74
+COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL378046,8.17
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCCc2cccs2)CC1,CHEMBL439168,7.82
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCc2ccccc2F)CC1,CHEMBL379400,6.89
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCCc2ccccc2F)CC1,CHEMBL378866,7.92
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(CO)CO)CC1,CHEMBL382353,5.82
+CCC(CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL208552,6.15
+CCC(COC)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL377258,6.7
+CC(C)(CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL377186,6.32
+CC(CO)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1C,CHEMBL210600,6.38
+COCC(C)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL379417,7.06
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCCO)CC1,CHEMBL208553,6.28
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCC(F)(F)F)CC1,CHEMBL212358,6.77
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)NCc2cccs2)CC1,CHEMBL208694,6.12
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)NCc2ccccc2F)CC1,CHEMBL211366,6.0
+COc1ccccc1CNC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL377269,6.25
+COc1ccccc1NC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL376974,5.89
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Nc2ccccc2F)CC1,CHEMBL211364,5.96
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Nc2ccccc2)CC1,CHEMBL212325,6.15
+CC(C)NC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL207166,5.89
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)OCc2ccccc2)CC1,CHEMBL211680,6.36
+COc1ccccc1OC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL378412,5.74
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Oc2ccccc2)CC1,CHEMBL211540,5.92
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2cccs2)CC1,CHEMBL448475,6.51
+COc1ccc(CC(=O)NCc2cccnc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)cc1,CHEMBL376973,6.26
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2ccc(F)cc2)CC1,CHEMBL211280,6.0
+COc1ccccc1CC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL211279,6.44
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2ccccc2F)CC1,CHEMBL377762,6.35
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2cccs2)CC1,CHEMBL379091,5.74
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccco2)CC1,CHEMBL208679,5.59
+COc1ccc(C(=O)NCc2cccnc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)cc1,CHEMBL377761,5.82
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(F)cc2)CC1,CHEMBL210450,5.66
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccccc2)CC1,CHEMBL441532,5.74
+COCC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL378105,5.92
+CC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL211187,5.55
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCS(=O)(=O)CC1,CHEMBL211792,7.12
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCSCC1,CHEMBL211475,7.16
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCOCC1,CHEMBL213940,7.5
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCCCC1,CHEMBL375389,7.33
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(S(C)(=O)=O)CC1,CHEMBL375388,7.56
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C(=O)C(C)C)CC1,CHEMBL209417,7.0
+CC(=O)N1CCC(CC(C)C)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1,CHEMBL373735,7.43
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C(C)C)CC1,CHEMBL211260,7.89
+CCN1CCC(CC(C)C)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1,CHEMBL211202,7.81
+CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C)CC1,CHEMBL376999,7.9
+CC(C)C1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C)CC1,CHEMBL211032,7.38
+CCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C)CC1,CHEMBL208953,6.43
+CCCCCCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C)CC1,CHEMBL210922,7.16
+CN1CCC(c2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1,CHEMBL376936,6.67
+CN1CCC(Cc2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1,CHEMBL378415,7.36
+CN1CCC(CC2CCCCC2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CC1,CHEMBL213340,8.17
+CCN(CC)CC(CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1,CHEMBL379497,8.3
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1ccccc1,CHEMBL387246,5.9
+N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O,CHEMBL377210,5.09
+N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1,CHEMBL210009,5.65
+N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1,CHEMBL210008,6.17
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(=N)N,CHEMBL213747,7.85
+N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O,CHEMBL209622,6.73
+N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1,CHEMBL210011,6.92
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(=N)N,CHEMBL379490,6.31
+N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1,CHEMBL379168,7.01
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL377465,7.24
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL380051,6.61
+N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O,CHEMBL378571,5.18
+N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1,CHEMBL213752,5.77
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(=N)N,CHEMBL211419,5.54
+N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1,CHEMBL213751,5.36
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(=N)N,CHEMBL213026,5.63
+N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL379879,6.52
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL212766,7.05
+N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1,CHEMBL212976,6.86
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL378446,7.23
+N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1,CHEMBL375440,7.34
+N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1,CHEMBL213956,7.51
+N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1,CHEMBL214347,8.0
+CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL209789,7.74
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL377620,7.68
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(=N)N,CHEMBL379508,7.77
+CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCNC(=N)N,CHEMBL377779,6.2
+N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1,CHEMBL377778,5.99
+N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1,CHEMBL211798,5.86
+N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1,CHEMBL375775,6.39
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCNC(=N)N,CHEMBL375559,6.25
+N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1,CHEMBL209587,6.12
+CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCNC(=N)N,CHEMBL378293,5.8
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O,CHEMBL211699,7.54
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL211975,8.24
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL215895,8.22
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O,CHEMBL212855,6.44
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O,CHEMBL213284,6.58
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O,CHEMBL214770,6.72
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL212332,6.65
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL215576,8.28
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O,CHEMBL213566,7.96
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL384176,8.89
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL215833,8.96
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL214410,8.89
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL385000,9.4
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL384774,8.3
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL379054,9.22
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL212614,9.1
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL378837,8.15
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL378671,5.55
+Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccccc2[C@H](N)CC(C)C)CC1,CHEMBL212882,5.77
+Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccccc2[C@@H](N)CC(C)C)CC1,CHEMBL213721,7.92
+CC(C)C[C@H](N)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL385274,7.8
+CC(C)C[C@H](N)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1,CHEMBL215906,7.17
+CC(C)C[C@H](N)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL212779,7.1
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL212180,8.06
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)CC(C)C)CC1,CHEMBL214886,8.09
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL386771,7.7
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL378327,8.23
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL213122,7.6
+CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1,CHEMBL438275,6.41
+COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](N)CC(C)C)CC1,CHEMBL215066,8.04
+COc1ccc(CC(C)C(=O)N2CCN(c3ccc(Cl)cc3[C@@H](N)CC(C)C)CC2)cc1,CHEMBL386162,6.8
+CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1,CHEMBL385003,7.17
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL215481,6.85
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL386259,7.59
+COc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL215617,7.51
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL425261,8.19
+COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL377231,7.85
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2O)CC1,CHEMBL213469,7.44
+Cc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL214551,7.42
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2F)CC1,CHEMBL215905,7.22
+Cc1ccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c(C)c1,CHEMBL386707,7.04
+COc1cc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl,CHEMBL378913,6.64
+COc1ccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1F,CHEMBL378448,6.7
+Cc1ccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1C,CHEMBL378425,6.62
+Cc1cc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)ccc1Cl,CHEMBL215106,7.15
+CCOc1cccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1,CHEMBL215502,5.66
+COc1cccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1,CHEMBL384852,5.51
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)Cc2cccc(Cl)c2)CC1,CHEMBL215519,6.04
+COc1ccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1,CHEMBL214799,6.92
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL425962,7.51
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1,CHEMBL212451,7.33
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCNC2CCCCC2)CC1,CHEMBL379591,5.32
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)Cn2cnc3ccccc32)CC1,CHEMBL215531,5.68
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CNc2ccccc2)CC1,CHEMBL214560,5.44
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CSc2ccc(Cl)cc2Cl)CC1,CHEMBL212664,5.82
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1,CHEMBL379200,5.7
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc3ccccc23)CC1,CHEMBL213153,5.59
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2Cl)CC1,CHEMBL214559,5.6
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1,CHEMBL214582,5.6
+Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c(C)c1,CHEMBL213214,5.4
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccccc2Cl)CC1,CHEMBL213213,5.35
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1,CHEMBL215332,5.59
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL215290,5.51
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(O)cc2)CC1,CHEMBL215238,5.34
+COc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1,CHEMBL214155,5.42
+Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1,CHEMBL212024,5.36
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,CHEMBL213152,5.54
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,CHEMBL380299,5.38
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCCC2CCCCC2)CC1,CHEMBL215354,5.39
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC2CCCCC2)CC1,CHEMBL383849,5.24
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CC(C)C(=O)c2ccc(Cl)cc2)CC1,CHEMBL215609,5.96
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1,CHEMBL380018,6.09
+CCC(C)[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,CHEMBL215886,7.07
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2F)CC1,CHEMBL211462,5.55
+CCOCC(NC(=O)CCN)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL214204,6.52
+NCCC(=O)NC(COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213953,6.68
+CCC(C)[C@H](NS(C)(=O)=O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212553,5.74
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1,CHEMBL384390,5.52
+Cc1[nH]c2ccccc2c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL378016,5.8
+CCC(C)[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)c(OC)c2Cl)CC1,CHEMBL209682,5.6
+CCC(C)[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)cc2Cl)CC1,CHEMBL379625,7.24
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2Cl)CC1,CHEMBL438793,5.77
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2O)CC1,CHEMBL384965,5.48
+COc1ccccc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL379792,5.85
+Cc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1,CHEMBL384040,5.68
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1,CHEMBL213776,5.66
+COc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1,CHEMBL386868,5.4
+COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1,CHEMBL213041,6.46
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1,CHEMBL212146,5.31
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1,CHEMBL215646,5.59
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1,CHEMBL215697,5.82
+COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1OC,CHEMBL213125,5.37
+COc1ccc(OC)c(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1,CHEMBL214537,5.6
+COc1cc(OC)c(OC)cc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL216009,5.21
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccs2)CC1,CHEMBL209601,5.34
+CCCCC(N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215974,6.72
+CC(C)C(N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215851,6.85
+CCC(C)C(N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213739,6.8
+CC[C@H](C)C(N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213691,7.12
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213738,7.127999999999999
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213380,6.96
+CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213381,7.03
+CCOCC(N)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212889,6.16
+NC(COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212653,6.0
+CC(N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL384138,6.31
+CC(C)C[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215601,7.6
+CCC(C)CN[C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)C(C)CC,CHEMBL213389,5.55
+CCN[C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)C(C)CC,CHEMBL214000,7.04
+NCCNC(COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL214988,6.4
+CCC(C)[C@H](NCC1CCCO1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215741,6.11
+CCC(C)[C@H](NCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL386123,5.23
+CCC(C)[C@H](NCCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL385437,5.59
+CCC(C)[C@H](NCCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212897,7.25
+CCC(C)[C@H](NC[C@H](C)N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL209954,7.05
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+CCC(C)[C@H](NC[C@@H]1CCCN1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL214217,7.19
+CCC(C)[C@H](NCCCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL384636,7.52
+CCC(C)[C@H](NC(=O)OC)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213935,5.62
+CCC(C)[C@H](NC(C)=O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212303,6.44
+CCC(C)[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL212192,7.74
+CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215659,7.89
+CN[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215712,5.72
+CCN[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL377480,6.77
+COCCN[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL378397,6.21
+CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL211564,7.72
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2csc3ccccc23)CC1,CHEMBL209869,5.64
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1,CHEMBL384389,6.19
+CCCCN(CCCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCCN)c2c1,CHEMBL232388,5.99
+COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL392092,9.02
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+CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233372,8.41
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+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1,CHEMBL391664,8.49
+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3c[nH]c4ccccc34)n(CCCN3CCCCC3)c2c1,CHEMBL233176,8.15
+COC(=O)c1ccc(-c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233175,7.35
+COc1ccc(-c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL232973,7.43
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+COCCNc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1,CHEMBL232775,7.11
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+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1,CHEMBL232584,8.38
+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(N4CCCCC4)cc3)n(CCCN3CCCCC3)c2c1,CHEMBL232163,8.01
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+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(-c4ccccc4)cc3)n(CCCN3CCCCC3)c2c1,CHEMBL395227,8.28
+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Br)cc3)n(CCCN3CCCCC3)c2c1,CHEMBL232387,8.12
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+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(F)cc3)n(CCCN3CCCCC3)c2c1,CHEMBL232186,8.08
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+COC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233559,9.05
+CC(=O)Nc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL232951,8.43
+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(C(N)=O)cc3)n(CCCN3CCCCC3)c2c1,CHEMBL232164,8.19
+CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233758,8.48
+CCC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233757,8.57
+COc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL429943,8.3
+CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1,CHEMBL430165,8.14
+CC(=O)c1ccccc1Nc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1,CHEMBL233357,6.96
+CC(=O)c1cccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)c1,CHEMBL233156,8.35
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233135,8.705
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCO)cc1,CHEMBL233756,5.64
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2C2CCN(C)CC2)cc1,CHEMBL450577,7.3
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CC(C)(C)CN(C)C)cc1,CHEMBL233544,6.14
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCN(C)CC2)cc1,CHEMBL396940,7.345
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCOCC2)cc1,CHEMBL233336,7.485
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCC2)cc1,CHEMBL439020,8.31
+CCN(CC)CCCn1c(Nc2ccc(C(C)=O)cc2)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21,CHEMBL394167,8.1
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN(C)C)cc1,CHEMBL232724,7.925
+CNCCCn1c(Nc2ccc(C(C)=O)cc2)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21,CHEMBL393134,7.29
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCCN)cc1,CHEMBL232723,6.89
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCN)cc1,CHEMBL232533,6.66
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN)cc1,CHEMBL232532,7.22
+CCCCCN(CCCCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCCN)c2c1,CHEMBL393133,6.195
+COc1cc(Nc2nc3ccc(C(=O)N(CC(C)C)CC(C)C)cc3n2CCCN)cc(OC)c1OC,CHEMBL232327,4.945
+CCCN(CCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCCN)c2c1,CHEMBL233809,4.76
+COc1cc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN)cc(OC)c1OC,CHEMBL428014,6.38
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CC(C)C)CC(C)C)cc3n2CCCN)cc1,CHEMBL401027,6.11
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL393715,7.41
+CC(C)C[C@H](N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1,CHEMBL237080,7.42
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1,CHEMBL236872,8.06
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1,CHEMBL439560,7.96
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL236731,8.01
+CC(C)C[C@H](N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL391914,8.19
+CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL236732,7.59
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL236940,8.35
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1,CHEMBL236650,8.35
+CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL236015,8.64
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL236014,9.1
+CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL237268,8.15
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL237267,8.48
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(F)cccc2[C@H](N)CC(C)C)CC1,CHEMBL237266,8.22
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(F)cccc2[C@@H](N)CC(C)C)CC1,CHEMBL391427,8.12
+CC(C)C[C@@H](N)c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL391219,7.54
+CC(C)C[C@H](N)c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL237050,8.6
+CC(C)C[C@@H](N)c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL237049,7.31
+CC(C)C[C@H](N)c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL236839,8.48
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c([C@H](N)CC(C)C)cccc2C(F)(F)F)CC1,CHEMBL236838,7.33
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(F)cc2[C@H](N)CC(C)C)CC1,CHEMBL236627,7.59
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2CCNCC2)CC1,CHEMBL235190,9.1
+CC(C)C[C@@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL236625,8.0
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL393716,9.0
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL236424,8.74
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL236423,8.74
+CCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237478,4.11
+NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235617,5.44
+NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235616,5.43
+NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235382,5.24
+NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL393553,5.68
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1,CHEMBL394669,5.19
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL235162,5.28
+NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL236226,4.74
+N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1,CHEMBL238369,5.14
+NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL393552,5.36
+NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238368,5.6
+N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238367,5.08
+N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238159,5.49
+NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1,CHEMBL238158,4.96
+N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL429269,4.6
+NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398980,4.8
+NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398777,5.04
+CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N,CHEMBL238154,5.587999999999999
+CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N,CHEMBL238153,5.31
+NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL237930,5.14
+NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL236645,4.96
+NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL392521,4.48
+NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL236443,5.11
+N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236442,4.42
+N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393350,5.47
+N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236020,5.435
+N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236022,4.02
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238149,5.22
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235798,4.8
+COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC,CHEMBL394075,5.13
+COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC,CHEMBL394074,5.11
+NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL238144,5.04
+N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237920,5.17
+NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1,CHEMBL393568,4.92
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1,CHEMBL237702,5.379
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236861,5.367999999999999
+C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL235582,5.412000000000001
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL394073,5.52
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235359,5.52
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL237698,5.28
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL399811,5.59
+N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237689,5.62
+N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL399810,5.75
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL413982,5.72
+NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235358,5.64
+COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL396111,5.72
+COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL397550,5.73
+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL236626,4.85
+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235140,5.55
+NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235139,5.2
+COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL236002,5.89
+COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL397324,5.49
+COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL238345,5.145
+COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br,CHEMBL237688,5.6
+COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br,CHEMBL429983,5.32
+NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393753,5.25
+COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL237502,5.35
+NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237714,5.36
+Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL394667,5.72
+Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237504,5.68
+Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL236639,5.39
+Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL391944,5.64
+Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL394646,5.47
+Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL237291,5.52
+CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL394645,5.35
+CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237290,5.37
+COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL445669,5.57
+COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL393994,5.66
+NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL394394,5.82
+NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237070,5.43
+CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC,CHEMBL235589,5.68
+CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC,CHEMBL429451,5.68
+COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL235176,5.62
+COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL237069,5.43
+NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL236649,4.77
+NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236640,5.42
+NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL410179,5.13
+CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL392316,5.01
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236638,5.43
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL392315,5.47
+C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL236847,4.96
+NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL393919,5.42
+NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1,CHEMBL235356,5.23
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CHEMBL393383,4.36
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12,CHEMBL235355,4.06
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL235138,5.3
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL235137,5.19
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1,CHEMBL235136,4.85
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1,CHEMBL393382,4.02
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1,CHEMBL238342,4.68
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1,CHEMBL238341,4.89
+CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL391707,4.6
+C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12,CHEMBL238136,4.0
+C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238135,5.33
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12,CHEMBL238134,4.23
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL391706,5.64
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237912,4.8
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL237911,5.15
+NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL237910,5.09
+NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL391705,5.08
+NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237694,4.92
+NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1,CHEMBL237693,4.8
+CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237692,4.8
+NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL393558,5.03
+NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3,CHEMBL237483,4.85
+NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237052,4.11
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237051,4.92
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393359,4.21
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236842,4.89
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236841,5.21
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL438334,4.77
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL236840,5.15
+NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236630,5.27
+NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL392096,4.74
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL392094,5.0
+NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12,CHEMBL393125,5.19
+NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL396341,4.8
+NCCCN(C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)C1CCc2ccccc2C1,CHEMBL237479,4.68
+NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL235627,4.96
+NCCCN(C(=O)CCc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL393387,5.15
+NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL393755,4.48
+NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL238180,4.13
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1,CHEMBL394647,4.85
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL235815,5.21
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL396303,4.17
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12,CHEMBL391823,5.13
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL237937,5.17
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237935,5.15
+NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1,CHEMBL392223,5.19
+NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL399624,5.3
+NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393918,4.09
+NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL438672,4.59
+NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12,CHEMBL237957,4.64
+NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237743,4.49
+CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL394149,5.01
+NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1,CHEMBL237528,4.8
+NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237315,4.72
+NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1,CHEMBL237094,5.62
+NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1,CHEMBL396638,5.31
+NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1,CHEMBL428903,5.0
+NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL396598,4.68
+NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1,CHEMBL237299,4.57
+NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL237079,4.38
+NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL428022,5.24
+CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236450,4.96
+NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12,CHEMBL235797,4.18
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1,CHEMBL236803,5.32
+CC(C)C[C@H](NCCCC(=O)O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL262320,7.4
+CC(C)C[C@H](NCCCC(=O)O)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL235955,6.62
+CC(C)C[C@H](NCC(=O)O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL396433,7.57
+CC(C)C[C@H](NCC(N)=O)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL393789,6.85
+CC(C)C[C@H](NCCCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL438683,8.85
+CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL393788,9.05
+CC(C)C[C@H](NCCCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL237578,9.02
+CCN(CC)CCN[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL396432,7.25
+CC(C)C[C@H](NCCN(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL396431,6.92
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+CC(C)[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1,CHEMBL404206,5.96
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+CC(C)[C@H](N)c1cccc(F)c1N1CCN(C(=O)C2NCCC2c2ccc(Cl)cc2)CC1,CHEMBL258035,6.96
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+CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)C2NCCC2c2ccc(Cl)cc2)CC1,CHEMBL257827,7.02
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C2NCCC2c2ccc(Cl)cc2)CC1,CHEMBL404710,7.01
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+CC(=O)N1CC[C@H](c2ccc(C)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL256539,7.01
+COc1ccc([C@H]2CCN(C(C)=O)[C@H]2C(=O)N2CCN(c3ccc(C)cc3[C@@H](N)C(C)C)CC2)cc1,CHEMBL437032,7.35
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+CCOC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](N)C(C)C)CC1,CHEMBL255261,7.74
+CCOC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2[C@@H](N)C(C)C)CC1,CHEMBL258412,7.13
+CCOC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccccc2[C@@H](N)C(C)C)CC1,CHEMBL437406,7.03
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+COC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL255100,7.755
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+CC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL403675,7.79
+CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL403676,6.92
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+Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C)CC2)c([C@@H](N)C(C)C)c1,CHEMBL402588,6.8
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+CCOC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL401631,7.38
+COC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL257584,7.23
+Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)C3CCC3)CC2)c([C@@H](N)C(C)C)c1,CHEMBL429853,7.26
+CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL257374,7.28
+CCC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL403699,7.21
+Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)[C@H]3Cc4ccccc4CN3)CC2)c([C@@H](N)C(C)C)c1,CHEMBL256956,7.04
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+CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL256955,6.74
+CC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H](N)C(C)C)CC1,CHEMBL256746,7.11
+N=C(N)NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL258295,5.38
+N=C(N)NCCC[C@H](CC1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL257040,5.17
+N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1,CHEMBL272099,7.64
+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1,CHEMBL403967,8.28
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+CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@@H]2CN(C3CCOCC3)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C,CHEMBL402017,8.68
+Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CN)C(C)C)c1,CHEMBL404069,8.7
+Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1,CHEMBL272956,8.66
+Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1,CHEMBL403806,8.33
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+CCC(=O)N1C[C@@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H](NC(=O)CCN(C)C)C(C)C)CC2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL402787,8.34
+CC(=O)N1C[C@@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H](NC(=O)CCN(C)C)C(C)C)CC2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL406309,8.12
+Cc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1,CHEMBL257447,7.05
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+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2ccoc2)CC1,CHEMBL429252,6.07
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+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2cc(F)cc(F)c2)CC1,CHEMBL270202,5.11
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+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2ccc(F)c(F)c2)CC1,CHEMBL272514,6.54
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+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2cccc(F)c2)CC1,CHEMBL401792,6.25
+Cc1cccc([C@@H]2CN(C(C)C)C[C@H]2C(=O)N2CCN(c3c(F)cccc3[C@@H](NC(=O)CCN(C)C)C(C)C)CC2)c1,CHEMBL401593,6.33
+COc1cccc([C@@H]2CN(C(C)C)C[C@H]2C(=O)N2CCN(c3c(F)cccc3[C@@H](NC(=O)CCN(C)C)C(C)C)CC2)c1,CHEMBL272088,5.43
+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2cccc(Cl)c2)CC1,CHEMBL403924,6.43
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1,CHEMBL454670,6.25
+CCOC(=O)[C@H]1CCCC[C@@H]1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL462380,8.2
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2=O)CC1,CHEMBL458329,6.96
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)OC(C)(C)C)CC1,CHEMBL462010,6.41
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)NC2CC2)CC1,CHEMBL462009,7.38
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1,CHEMBL452838,7.42
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@@H](C)N)CC1,CHEMBL508284,7.19
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)N)CC1,CHEMBL454901,7.74
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454900,8.03
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CNC)CC1,CHEMBL508641,7.89
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL454918,7.59
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2CCCNC2)CC1,CHEMBL454917,7.31
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454916,8.02
+CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL509475,7.55
+CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL454906,8.05
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL454905,6.55
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL508285,7.96
+CCCC(C)(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL454663,7.96
+COc1ccc(CCC(O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)cc1,CHEMBL447298,7.64
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CCc2ccccc2)CC1,CHEMBL508293,7.49
+COc1cccc(CC(O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CCN)CC2)c1,CHEMBL455189,7.18
+COc1ccccc1CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL455188,7.18
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)Cc2ccccc2)CC1,CHEMBL519729,7.27
+CCC(C)C(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL529449,7.33
+C=CC(C)C(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL488884,7.54
+CC(C)C(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL488719,6.96
+CCCC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL528329,7.59
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CO)CC1,CHEMBL488716,6.06
+CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1,CHEMBL488030,8.33
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1,CHEMBL528108,8.11
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)N)CC1,CHEMBL488710,8.38
+CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1,CHEMBL487044,8.77
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL487043,8.7
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL511826,8.49
+CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL471167,7.68
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1,CHEMBL471166,7.34
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)N)CC1,CHEMBL512496,7.8
+CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL471340,8.08
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL471339,7.89
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL513404,8.09
+CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1,CHEMBL470301,7.04
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1,CHEMBL472553,6.96
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)N)CC1,CHEMBL514603,7.59
+CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1,CHEMBL471517,7.51
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1,CHEMBL471516,7.48
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL460942,7.62
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC(C)C)CC(C)C)CC1,CHEMBL457058,5.92
+CCCCCN(CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1,CHEMBL456886,6.46
+CCCCN(CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1,CHEMBL457059,6.92
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NCC2CCOC2)CC1,CHEMBL462346,7.82
+CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1,CHEMBL462345,7.68
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1,CHEMBL516659,7.28
+CCCCCN(CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL459218,5.49
+CCCCN(CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL459217,5.85
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NCC2CCOC2)CC1,CHEMBL462559,7.05
+CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL462379,6.48
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)C)CC1,CHEMBL461132,6.42
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(Cc2ccccn2)Cc2ccccn2)CC1,CHEMBL503909,6.96
+CCCCCN(CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1,CHEMBL509340,5.24
+CCCCN(CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1,CHEMBL507776,5.77
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NCC2CCOC2)CC1,CHEMBL455394,6.82
+CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1,CHEMBL507347,6.64
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(Cc2ccccn2)Cc2ccccn2)CC1,CHEMBL444749,7.08
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC2CC2)CC2CC2)CC1,CHEMBL515512,6.46
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(Cc2ccccn2)Cc2ccccn2)CC1,CHEMBL505442,8.7
+CC(C)[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL494818,7.08
+CC(C)[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL496710,7.62
+CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL498150,8.27
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)C2CNC2)C(C)C)CC1,CHEMBL468636,8.89
+CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL467588,8.48
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1,CHEMBL467587,9.1
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467586,8.96
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL525177,8.39
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2c(F)cccc2[C@@H](NC(=O)C2CNC2)C(C)C)CC1,CHEMBL521715,8.51
+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL497746,8.12
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1)C(C)C,CHEMBL524443,8.28
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467772,8.47
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL467771,8.0
+CNCCN[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL468579,7.64
+CC(C)[C@H](N)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL495674,6.74
+CC(C)[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL524060,6.68
+CC(C)[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1,CHEMBL513128,7.57
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2c(F)cccc2[C@@H](N)C(C)C)CC1,CHEMBL466346,7.59
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O,CHEMBL443396,8.85
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O,CHEMBL445009,6.25
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN(C)C)C1=O,CHEMBL468252,6.2
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O,CHEMBL460142,6.15
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O,CHEMBL517108,7.01
+CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL460349,6.74
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL460138,7.12
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1,CHEMBL446757,8.26
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1,CHEMBL506762,8.28
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1,CHEMBL448410,8.3
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1,CHEMBL442829,7.92
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC,CHEMBL504349,8.22
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC,CHEMBL452710,8.3
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1,CHEMBL450236,7.85
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1,CHEMBL447117,7.96
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1,CHEMBL451694,7.59
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N,CHEMBL453734,8.05
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1,CHEMBL448337,7.46
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1,CHEMBL463047,8.22
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1,CHEMBL449131,8.4
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1,CHEMBL453300,7.44
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1,CHEMBL506272,8.4
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC,CHEMBL449050,7.85
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C,CHEMBL507876,7.72
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O,CHEMBL466380,8.1
+C[C@H]1CN(C(=O)[C@H]2CN(c3ccncn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1089483,7.19
+C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1,CHEMBL1204056,6.76
+CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C,CHEMBL1204054,7.25
+C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1,CHEMBL1089461,7.28
+C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,CHEMBL1092860,8.0
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+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CNC[C@@H]1C(=O)NCCc1ccccc1,CHEMBL2035931,5.3
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+O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)Nc1cccc(-c2ccccc2)c1,CHEMBL2035938,5.18
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCCc1cccc(F)c1,CHEMBL2035939,5.74
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCCc1cccc(Cl)c1,CHEMBL2035940,6.17
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCCc1ccc(Cl)cc1,CHEMBL2035941,6.42
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl,CHEMBL2035942,6.8
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCc1cccc(Cl)c1,CHEMBL2035943,6.4
+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CC2CC2)C[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl,CHEMBL2035944,7.15
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+O=C(NC1CCN(Cc2ccccc2)C1)[C@@H]1CN(CCOc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1,CHEMBL2035947,6.0
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+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL3644298,7.49
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CN)NC1=O,CHEMBL3644314,7.1
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL3644316,9.0
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3644288,7.29
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O,CHEMBL3644285,5.53
+CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL3646886,7.55
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL3644347,8.52
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O,CHEMBL3646860,7.6
+CC(=O)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O,CHEMBL3646878,6.24
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,CHEMBL3644289,7.37
+CC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cn2ccnc2)NC1=O,CHEMBL3646862,8.52
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O,CHEMBL3644297,8.4
+N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O,CHEMBL3646870,8.7
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O,CHEMBL3644338,8.05
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](C)(Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL3644313,7.33
+CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O,CHEMBL3646871,8.05
+CCNC(=O)[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1,CHEMBL3644353,7.47
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](Cc3ccc(Cl)cc3)CN2C1=O,CHEMBL3646855,7.62
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O,CHEMBL3644315,7.82
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL3646885,8.3
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O,CHEMBL3644339,6.78
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CNC(=O)[C@H]2CCNC2)NC1=O,CHEMBL3644360,6.84
+CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O,CHEMBL3644300,7.72
+CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL3644344,8.4
diff --git a/chembl_200/CHEMBL2595.csv b/chembl_200/CHEMBL2595.csv
new file mode 100644
index 0000000000000000000000000000000000000000..eb383049e5d4edde91e413d2cd616a4657aec63b
--- /dev/null
+++ b/chembl_200/CHEMBL2595.csv
@@ -0,0 +1,436 @@
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,5.8
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,5.9
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.7
+Oc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL278041,5.6
+NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1,CHEMBL440084,5.4
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.9
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.9
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.6
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.5
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.4
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,5.9
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.8
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.7
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.5
+CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1Cl,CHEMBL377383,5.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.1
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,5.0
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.4
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,8.2
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.8
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.7
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,6.3
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.8
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.5
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.1
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,8.4
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.7
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.4
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.4
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,6.9
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.4
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.0
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.7
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.6
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.2
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,6.3
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,8.0
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,5.8
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.1
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,5.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,8.4
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.5
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,5.9
+CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2001547,5.3
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.1
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.6
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,5.6
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,5.7
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.5
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,5.95
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.0
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,5.8
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,6.4
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.1
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.4
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.3
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.1
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.1
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.0
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,6.2
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.2
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.5
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.6
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.0
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.4
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.2
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.4
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.0
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.7
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,6.7
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.5
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.1
+CN(c1ccc2n[nH]cc2c1)c1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O,CHEMBL1987899,5.2
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.8
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.2
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.5
+NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,CHEMBL1090090,5.6
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.1
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.6
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.7
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.6
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,6.3
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.4
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.2
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.8
+COc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1,CHEMBL378627,6.0
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.0
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.7
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.6
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.7
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.0
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.8
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.8
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.2
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.3
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,5.2
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.0
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.9
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,7.2
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.9
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.9
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,6.2
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.1
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.2
+CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1,CHEMBL1994040,5.1
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.4
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.1
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.8
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.2
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1,CHEMBL1968127,5.9
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.3
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.0
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.5
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.2
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.0
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.6
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,6.0
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1976093,5.5
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.4
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.3
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.2
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.6
+CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1968340,5.3
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.0
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.5
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.5
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.1
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.2
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.8
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.5
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,5.7
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.1
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.8
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.4
+CCN(CCN(C)C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1992354,5.5
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.3
+CCCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL1970735,5.7
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.3
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.5
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,7.0
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,5.5
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.1
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.5
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.7
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.8
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.2
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.2
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.0
+CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C#N,CHEMBL424872,5.5
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.1
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,7.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.1
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.2
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.6
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.4
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,5.7
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.8
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.8
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.5
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,6.1
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.5
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.7
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,5.4
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.2
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.2
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.8
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.4
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.7
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.4
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,5.0
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.7
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.8
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,6.2
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.3
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.6
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,6.1
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.3
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.6
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.4
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.9
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,6.3
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,5.5
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.3
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.5
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.0
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.5
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.2
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.4
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,6.2
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.1
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.1
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.3
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.5
+Cn1ccc2c(-c3ccccc3F)nc(N(C(N)=O)c3c(F)cccc3F)nc21,CHEMBL1981723,5.7
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.0
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.2
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.0
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.9
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.5
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.6
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.2
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,5.4
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.5
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.5
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,5.6
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.7
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.8
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,8.0
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.6
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.0
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.5
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.5
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.9
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,7.1
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.4
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCOC)ccc3n2)c1,CHEMBL1997433,5.9
+OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,CHEMBL2002373,5.2
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,6.4
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.6
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.1
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.0
+CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1998551,5.6
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.5
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,6.1
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.8
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.4
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,6.1
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.8
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.6
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.0
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.5
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.2
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.5
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.8
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.4
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.9
+FC(F)(F)Oc1ccc(-c2ccc3[nH]cc(C4=CCNCC4)c3c2)cc1,CHEMBL1987982,5.0
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.3
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,5.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.4
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.4
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL2005792,5.6
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.8
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.1
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.3
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,6.3
+CCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1C#N,CHEMBL210963,5.5
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.6
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.9
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.0
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,5.7
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.6
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.7
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.9
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,7.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.1
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.1
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.1
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,6.2
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.6
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.4
+CC(=O)Nc1cc(N)c(C#N)c(OCC(C)C)n1,CHEMBL2000919,5.2
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,8.4
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.3
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.2
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.3
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.8
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1988995,6.0
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,6.3
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.8
+Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,CHEMBL1230122,5.7
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.4
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,8.2
+COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL31,5.1
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.2
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,6.2
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.8
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.8
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.3
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.6
+Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL316264,6.0
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1991678,5.5
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,7.0
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,5.3
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.9
+COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,CHEMBL235157,6.8
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.9
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,7.7
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.7
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.4
+CCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL208637,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.7
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1,CHEMBL2005375,5.7
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.2
+Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1,CHEMBL1966501,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,8.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.5
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.3
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.8
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.9
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,4.2
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.4
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.5
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.9
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.0
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.0
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,5.8
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.4
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.0
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.0
+CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N,CHEMBL209082,5.1
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.4
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,6.5
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.8
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.2
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.3
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,5.0
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,8.4
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.2
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.2
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.8
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,6.6
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,5.2
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,6.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.6
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.0
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,7.3
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.8
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.8
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.1
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL95692,5.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.6
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,6.1
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.0
+CS(=O)(=O)Nc1ccc(Nc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1988872,5.5
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,6.0
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.1
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,5.9
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,5.9
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.1
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.6
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,6.4
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,5.7
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.4
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.2
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,8.3
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.6
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,5.4
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.3
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.2
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.0
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1972849,6.0
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,6.1
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,6.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,5.3
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.3
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,6.1
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,6.1
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.5
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,5.7
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.0
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.4
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.6
diff --git a/chembl_200/CHEMBL261.csv b/chembl_200/CHEMBL261.csv
new file mode 100644
index 0000000000000000000000000000000000000000..45bd963d90c98ec3b4087c11937b691b166beb61
--- /dev/null
+++ b/chembl_200/CHEMBL261.csv
@@ -0,0 +1,3664 @@
+CC1(C)OCC(C2OC3OC(C)(C)OC3[C@H]2OS(N)(=O)=O)O1,CHEMBL302593,6.56
+NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl,CHEMBL303942,6.34
+CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1,CHEMBL68257,6.98
+NS(=O)(=O)OCCOc1ccc(-n2ccnc2)cc1,CHEMBL544763,7.55
+NS(=O)(=O)Oc1ccc(I)cc1,CHEMBL24120,8.02
+NS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1,CHEMBL69322,6.94
+CC(C)(C)c1ccc(OS(N)(=O)=O)cc1,CHEMBL69948,7.37
+NS(=O)(=O)Oc1ccc2ccccc2c1,CHEMBL67749,6.99
+NS(=O)(=O)Oc1ccccc1,CHEMBL24259,8.68
+NS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F,CHEMBL68536,6.38
+NS(=O)(=O)Oc1ccc(Cl)cc1,CHEMBL23350,8.34
+COc1ccc(OS(N)(=O)=O)cc1,CHEMBL71872,7.48
+CC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL68590,7.43
+CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2COS(N)(=O)=O,CHEMBL71549,6.5
+N#Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24119,6.32
+Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24210,8.42
+NS(=O)(=O)Oc1ccc(C(F)(F)F)cc1,CHEMBL303601,6.43
+CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL220492,6.6
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL221802,8.22
+CCCCCCCCOS(N)(=O)=O,CHEMBL24261,8.45
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL220493,7.82
+C[C@]12CCC3C(CC=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL71371,7.51
+NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL23258,7.4
+NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1,CHEMBL417287,6.95
+NS(=O)(=O)Oc1ccc(Br)cc1,CHEMBL283121,8.14
+NS(=O)(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CHEMBL71873,6.36
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1,CHEMBL344055,5.4
+NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL138178,5.74
+NS(=O)(=O)c1ccc(NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138009,5.73
+NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140169,5.92
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL343332,4.9
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL264879,7.55
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL141868,6.52
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL140389,5.85
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141425,6.48
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138847,6.05
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL142541,6.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL140007,5.18
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL138253,6.6
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140110,7.39
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141898,6.42
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL342390,4.82
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL139946,7.62
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL138920,6.7
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL337771,5.52
+NS(=O)(=O)c1ccc(CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141618,4.7
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL141255,6.12
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)F)s1,CHEMBL140942,4.22
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL140391,5.52
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)F)n2)cc1,CHEMBL139649,5.1
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL141351,7.15
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL143294,5.44
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL139700,5.61
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL344887,5.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140306,5.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1,CHEMBL139668,6.0
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL344181,4.69
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL141408,5.82
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140933,5.6
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL140554,5.72
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL344888,6.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL140428,6.15
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL139563,5.73
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140481,7.72
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL265112,5.1
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL341600,4.66
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL341548,5.52
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL342668,4.74
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140221,4.89
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL335337,5.22
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL142132,7.6
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140692,6.52
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140792,7.31
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343048,6.22
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL344889,5.62
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141757,5.36
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL342146,5.97
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL138812,6.52
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL443483,5.85
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141052,5.64
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL343047,6.09
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344941,6.01
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL140370,7.3
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL141309,5.76
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL343590,5.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL94836,6.68
+NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL343916,6.92
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1,CHEMBL139023,4.09
+NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL142142,6.02
+NS(=O)(=O)c1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL139939,6.52
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL342038,5.59
+NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140095,6.98
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)c(Cl)c1Cl,CHEMBL142067,5.26
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1,CHEMBL342485,5.3
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141753,7.27
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL336455,6.1
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL436573,6.12
+NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141562,6.0
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141756,5.96
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL140544,5.97
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL341760,6.6
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL139940,5.1
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)cc1Cl,CHEMBL140252,6.26
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL139539,5.4
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL344001,6.9
+NS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL141526,5.8
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141108,5.8
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140379,4.82
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140879,6.46
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL344034,6.05
+NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344056,6.0
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL69149,6.57
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)F,CHEMBL140941,5.7
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL141478,4.63
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL343098,6.52
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL433685,5.82
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL342610,6.52
+NS(=O)(=O)c1nc2ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL337328,7.43
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL344382,6.52
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL140696,5.11
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL139549,4.82
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141049,4.99
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL336483,5.29
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141899,7.54
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL343268,5.84
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140805,7.62
+NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL139763,6.54
+NS(=O)(=O)c1ccc(COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138309,4.82
+NS(=O)(=O)c1ccc(CCOC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344709,5.9
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL342407,6.4
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL337369,6.44
+NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL337136,5.82
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141130,6.0
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL342679,5.96
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL343944,6.49
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL422639,5.84
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL140791,6.4
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343046,6.1
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141410,5.35
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL422825,6.82
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344030,5.94
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL141363,5.44
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1,CHEMBL140486,4.0
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1,CHEMBL141346,5.52
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140446,4.66
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138603,7.68
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344861,6.02
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL96361,6.12
+NS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140452,5.86
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL342622,6.05
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL141624,7.74
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL281794,5.85
+NS(=O)(=O)c1nc2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141168,7.35
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140616,7.19
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344237,4.61
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL335353,5.47
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141965,6.0
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL342026,7.77
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL262561,6.0
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)F)cc1,CHEMBL140820,4.1
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL436400,4.68
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL344156,7.26
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140643,5.59
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140116,5.77
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140880,5.81
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL336249,5.85
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(I)c1,CHEMBL407995,5.52
+Nc1nnc(S(N)(=O)=O)s1,CHEMBL265674,5.081
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)c1,CHEMBL13555,7.51
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1,CHEMBL418164,5.62
+Cn1nc(S(N)(=O)=O)s/c1=N/SC(=S)N1CCOCC1,CHEMBL276869,6.7
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL275565,8.7
+Cn1nc(S(N)(=O)=O)sc1=N,CHEMBL6753,5.03
+NS(=O)(=O)c1ccc(CCNSC(=S)N2CCOCC2)cc1,CHEMBL13975,6.44
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Cl)c1,CHEMBL13981,6.1
+NS(=O)(=O)c1ccc(CNSC(=S)N2CCOCC2)cc1,CHEMBL266157,6.21
+Nc1ccccc1S(N)(=O)=O,CHEMBL6705,4.34
+NS(=O)(=O)c1cccc(NSC(=S)N2CCOCC2)c1,CHEMBL14039,5.0
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(F)c1,CHEMBL13966,6.12
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1,CHEMBL13614,8.3
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)cc1Cl,CHEMBL13410,6.25
+CCN(C)C(=S)SNCCc1ccc(S(N)(=O)=O)cc1,CHEMBL14198,6.2
+NS(=O)(=O)c1ccccc1NSC(=S)N1CCOCC1,CHEMBL13982,4.94
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)cc1,CHEMBL417986,7.52
+Nc1cccc(S(N)(=O)=O)c1,CHEMBL6852,4.543
+NS(=O)(=O)c1ccc(NNSC(=S)N2CCOCC2)cc1,CHEMBL13541,4.62
+Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL6853,5.08
+Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL7092,5.01
+Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL268177,5.22
+NS(=O)(=O)c1n[nH]c(=NSC(=S)N2CCOCC2)s1,CHEMBL274895,6.62
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL13929,5.05
+NS(=O)(=O)c1nnc(NC(=O)CCNSC(=S)N2CCOCC2)s1,CHEMBL13802,6.98
+CCN(C)C(=S)SNCc1ccc(S(N)(=O)=O)cc1,CHEMBL266387,6.02
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)c(Cl)c1Cl,CHEMBL275091,6.3
+Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL266240,5.08
+CCN(C)C(=S)SNc1ccc(S(N)(=O)=O)cc1,CHEMBL13851,4.82
+Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL14182,7.275
+Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL269628,5.214
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,4.3
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,4.27
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1,CHEMBL417648,4.84
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL23684,7.51
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL23796,6.99
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1,CHEMBL23681,7.16
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL23922,7.4
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL278603,8.23
+NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL23174,7.18
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL687,4.67
+NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1,CHEMBL279246,6.1
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL25600,6.02
+NS(=O)(=O)c1nnc(NC(=O)CCCCC(F)(F)C(F)(F)F)s1,CHEMBL286004,6.6
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL22540,8.3
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,CHEMBL22374,6.37
+CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23417,4.63
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCCCC(F)(F)C(F)(F)F,CHEMBL24473,6.57
+NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL23744,7.16
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1,CHEMBL23238,7.09
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL23435,8.285
+CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL278395,4.71
+CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23058,4.85
+NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL23967,7.13
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL282021,7.995
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL278295,7.92
+CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23591,4.71
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL23559,5.48
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccccc1,CHEMBL280338,6.07
+NS(=O)(=O)c1ccc(NC(=O)CCCCC(F)(F)C(F)(F)F)cc1,CHEMBL280417,6.02
+NS(=O)(=O)c1ccc(/N=C\c2ncc[nH]2)cc1,CHEMBL24121,6.0
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL23377,6.73
+CCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL283097,4.75
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccco1,CHEMBL282266,6.54
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1,CHEMBL76956,5.77
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL94341,6.57
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL306118,5.21
+NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL94551,5.74
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL75855,6.6
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL329956,6.03
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL305726,6.12
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1,CHEMBL309592,5.97
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)n2)cc1,CHEMBL319818,6.49
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL77284,6.05
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL265534,6.07
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL94746,5.71
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL308631,6.01
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL313873,5.89
+NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL317890,6.57
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1,CHEMBL75620,5.73
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL97694,6.12
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,CHEMBL74491,6.12
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL77359,5.2
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL76626,5.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL307939,7.89
+NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL97725,5.76
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL316779,5.752999999999999
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F,CHEMBL75747,5.82
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL76563,6.01
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL94499,6.13
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,CHEMBL540698,6.24
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+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138170,6.46
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138174,7.52
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1I)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137751,6.29
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138167,6.02
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138418,6.52
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137794,7.23
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137807,7.11
+C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL2113371,7.54
+C[C@H](CCC(=O)NNc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138143,4.49
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137770,4.92
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137804,6.72
+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137779,5.94
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138175,5.15
+CC1(C)OC[C@@H]2O[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL354527,5.92
+CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL355167,6.38
+CC1(C)OC[C@@H]2O[C@@]3(C(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL170725,6.12
+NS(=O)(=O)N1CCCCC1,CHEMBL169370,6.81
+NS(=O)(=O)NC1CCCCC1,CHEMBL352592,6.79
+N#Cc1ccc(NS(N)(=O)=O)cc1,CHEMBL166340,7.7
+NS(=O)(=O)Nc1ccc2ccccc2c1,CHEMBL168910,7.41
+NS(=O)(=O)Nc1ccc(O)cc1,CHEMBL353767,7.8
+NS(=O)(=O)Nc1ccc(Br)cc1,CHEMBL166686,7.64
+COc1ccc(NS(N)(=O)=O)cc1,CHEMBL165878,7.85
+CCOC(=O)c1ccc(NS(N)(=O)=O)cc1,CHEMBL166708,7.59
+NS(=O)(=O)NCc1ccccc1,CHEMBL168526,6.885
+NS(=O)(=O)N1CCCCCC1,CHEMBL165939,6.79
+NS(=O)(=O)NCCSSCCNS(N)(=O)=O,CHEMBL444608,6.83
+CCCCNS(N)(=O)=O,CHEMBL170015,6.76
+NS(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL168898,7.21
+CN(C)c1ccc(NS(N)(=O)=O)cc1,CHEMBL354323,7.77
+NS(=O)(=O)Nc1ccc(I)cc1,CHEMBL166446,7.74
+NS(=O)(=O)Nc1ccc(C(F)(F)F)cc1,CHEMBL167179,8.1
+NS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL169486,7.47
+NS(=O)(=O)NC1C2CC3CC(C2)CC1C3,CHEMBL355555,6.02
+Cc1ccc(NS(N)(=O)=O)cc1,CHEMBL168511,7.82
+NS(=O)(=O)Nc1ccc(Cl)cc1,CHEMBL167048,7.72
+NS(=O)(=O)Nc1ccccc1,CHEMBL168514,7.89
+NS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1,CHEMBL168778,7.74
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL108971,6.063
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4C=CC(C4)C3C(=O)O)cc2)s1,CHEMBL111216,8.26
+CCCC(CCC)C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326036,7.3
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1,CHEMBL108502,6.59
+NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1,CHEMBL108982,8.15
+CCCC(CCC)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL419188,6.1
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL111360,6.22
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL107989,6.02
+Cc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL108380,8.3
+CCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326240,7.21
+CCCC(CCC)C(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL109153,4.72
+CCCC(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL432626,5.43
+CCCC(CCC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL111245,5.46
+CCCC(CCC)C(=O)OCCc1ccc(S(N)(=O)=O)cc1,CHEMBL419006,5.89
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL108389,6.0
+CCCC(CCC)C(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL419553,7.15
+CC(C)(C)OC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL322589,6.34
+CCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL320711,7.3
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL109142,6.26
+COc1cc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc(OC)c1OC,CHEMBL111336,6.05
+CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL111504,6.44
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL111074,4.65
+CCCC(CCC)C(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL324906,6.01
+CCCC(CCC)C(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL108381,7.3
+CCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1,CHEMBL107722,5.82
+Cc1ccc(S(=O)(=O)NC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL109151,8.52
+CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL325321,4.64
+CCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL322581,4.45
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138530,6.02
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)ccc1Cl,CHEMBL50045,7.39
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)O)ccc1Cl,CHEMBL48697,6.69
+NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL50195,6.6
+NC(=O)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL299160,6.37
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL51385,6.3
+NS(=O)(=O)c1ccc(C(=O)NCCCC(=O)O)cc1,CHEMBL418085,6.38
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL50481,6.35
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL54235,7.42
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL300020,7.52
+NS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(=S)s2)ccc1Cl,CHEMBL53407,7.82
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL50446,6.37
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51787,6.9
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL49062,6.39
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL53135,6.36
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51725,6.76
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)O)cc1,CHEMBL51534,6.36
+NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1,CHEMBL49182,6.6
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL431742,6.46
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL52375,7.44
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL50365,7.62
+CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL301071,6.82
+C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51143,6.49
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCC(=O)O,CHEMBL298755,7.41
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL295343,7.62
+NC(=O)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL295779,6.62
+NS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)ccc1Cl,CHEMBL51437,6.7
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)ccc1Cl,CHEMBL445615,7.43
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL298110,6.62
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL296390,6.49
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl,CHEMBL2113715,6.98
+CSCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL300436,6.4
+CC(C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51575,6.89
+NS(=O)(=O)c1cc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)ccc1Cl,CHEMBL51456,7.0
+NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)cc1,CHEMBL51719,7.27
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL50921,6.37
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL50776,6.57
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)O)ccc1Cl,CHEMBL51416,6.77
+NS(=O)(=O)c1cc(C(=O)NCC(=O)O)ccc1Cl,CHEMBL297892,6.68
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL299744,6.87
+CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL2113714,6.46
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL300265,6.57
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL53972,6.25
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CS)C(=O)O)ccc1Cl,CHEMBL51517,6.52
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1Cl,CHEMBL50881,6.55
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1Cl,CHEMBL48857,6.52
+NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL49974,6.28
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL53607,7.68
+NS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL48292,7.46
+NS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL50000,7.42
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL50897,6.37
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL52227,6.42
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51668,7.4
+CSCC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51213,6.62
+NC(=O)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51200,6.39
+NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC(=O)O)ccc1Cl,CHEMBL51455,7.16
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)s1,CHEMBL50128,7.89
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL417728,6.27
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL52550,7.57
+CC(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51586,6.38
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL51346,6.4
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51506,7.4
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL297706,6.99
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1Cl,CHEMBL52542,6.94
+C[C@@H](O)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL298132,6.32
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]cc(Cl)c23)cc1,CHEMBL71000,7.51
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1,CHEMBL158827,6.28
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(F)c1,CHEMBL351044,6.27
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1,CHEMBL161438,8.3
+NS(=O)(=O)c1nnc(NC(=O)CCNCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161032,7.92
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL158693,9.0
+NS(=O)(=O)c1n[nH]c(=NN2C(=O)c3cccnc3C2=O)s1,CHEMBL161205,7.41
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)cc1Cl,CHEMBL161371,6.4
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Br)c1,CHEMBL347252,6.22
+NS(=O)(=O)c1cccc(NCc2cc(=O)oc3cc(Cl)ccc23)c1,CHEMBL351692,4.7
+NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL161802,5.97
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)c1,CHEMBL161658,7.44
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(I)c1,CHEMBL348978,6.21
+Cn1nc(S(N)(=O)=O)s/c1=N\Cc1cc(=O)oc2cc(Cl)ccc12,CHEMBL161443,7.54
+NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL162021,4.66
+NS(=O)(=O)c1ccccc1NCc1cc(=O)oc2cc(Cl)ccc12,CHEMBL158660,4.67
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1Cl,CHEMBL434860,6.3
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)cc1,CHEMBL345585,7.48
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350327,4.82
+NS(=O)(=O)c1ccc(CCNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350430,6.02
+NS(=O)(=O)c1nnc(NCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161560,7.44
+CCN(Cc1cc(=O)oc2cc(Cl)ccc12)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL348997,4.74
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2112277,5.92
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL2111554,6.03
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2111556,6.12
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL2114130,6.0
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1,CHEMBL1089967,6.12
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2112278,6.29
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1,CHEMBL1089637,6.14
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@@H]1O,CHEMBL2111555,6.17
+Nc1c(Br)cc(S(N)(=O)=O)cc1Br,CHEMBL306195,5.02
+Nc1c(I)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL68506,8.68
+Nc1c(F)cc(S(N)(=O)=O)cc1Cl,CHEMBL70873,5.42
+Nc1c(F)cc(S(N)(=O)=O)cc1I,CHEMBL69813,5.43
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL68639,8.51
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL69229,9.0
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl,CHEMBL70020,5.15
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL302706,8.96
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL303905,8.28
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL304322,5.38
+Nc1c(Cl)cc(S(N)(=O)=O)cc1I,CHEMBL68605,5.11
+Nc1c(I)cc(S(N)(=O)=O)cc1I,CHEMBL67755,4.85
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL69347,5.47
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,8.85
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL305488,8.89
+Nc1c(Br)cc(S(N)(=O)=O)cc1I,CHEMBL430600,4.9
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL441054,5.48
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL71657,8.72
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL307698,8.6
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL304757,9.0
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL304973,8.68
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL308459,5.2
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Br,CHEMBL430810,5.12
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL308677,8.77
+Nc1c(F)cc(S(N)(=O)=O)cc1Br,CHEMBL303648,5.41
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL306832,8.8
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL70524,8.72
+Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL418,5.236000000000001
+NS(=O)(=O)NS(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL120775,8.22
+O=S(=O)(O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL440336,7.3
+O=C(NS(=O)(=O)O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL118272,7.1
+NS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL331072,8.22
+NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL334013,8.52
+NS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1,CHEMBL327669,4.7
+NS(=O)(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,CHEMBL86751,4.7
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)cc1Cl,CHEMBL88519,6.22
+NS(=O)(=O)c1nnc(N2C(=O)c3cccnc3C2=O)s1,CHEMBL88232,7.41
+NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1,CHEMBL90382,7.74
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1,CHEMBL90218,6.22
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1,CHEMBL330346,4.81
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl,CHEMBL432818,6.3
+NS(=O)(=O)c1nc2ccc(N3C(=O)c4cccnc4C3=O)cc2s1,CHEMBL420610,7.92
+NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL314929,7.74
+NS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1,CHEMBL91420,4.67
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1,CHEMBL315592,6.21
+NS(=O)(=O)c1ccccc1N1C(=O)c2cccnc2C1=O,CHEMBL313123,4.68
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1,CHEMBL86428,6.24
+NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL313925,7.8
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(I)c1,CHEMBL327933,6.21
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl,CHEMBL328946,6.43
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL316037,7.72
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(F)c1,CHEMBL88120,6.27
+NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL315661,6.07
+NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL88860,6.26
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1,CHEMBL89455,5.98
+NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,CHEMBL88173,6.07
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Br)c1,CHEMBL316140,6.22
+NS(=O)(=O)c1nnc(NC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL85079,7.44
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1,CHEMBL88969,6.22
+NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL89163,7.82
+NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL280071,5.69
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1cccc(C(=O)O)n1,CHEMBL85120,7.46
+CCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL313770,6.4
+NS(=O)(=O)c1ccc(CCONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL89945,5.7
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1Cl,CHEMBL89634,6.35
+NS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL327604,4.69
+NS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1,CHEMBL92116,4.73
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL90492,4.82
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1,CHEMBL87141,6.29
+NS(=O)(=O)c1cccc2cccnc12,CHEMBL268809,4.68
+NS(=O)(=O)c1cccc2ccccc12,CHEMBL6648,4.64
+Nc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL6946,6.73
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,7.74
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,7.44
+O=S(=O)(NO)C(F)(F)F,CHEMBL331308,4.7
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,5.74
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,4.82
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,4.24
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,4.6
+O=S(=O)(NO)C(Cl)(Cl)Cl,CHEMBL124237,4.64
+CN(C)S(=O)(=O)NO,CHEMBL330950,4.92
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,7.05
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,7.68
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,7.0
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,5.8
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,7.08
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,4.82
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,4.21
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,7.52
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,4.57
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,4.52
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,6.9
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,6.71
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,4.72
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,8.15
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,7.49
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,4.39
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,7.54
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,6.82
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,4.29
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,6.85
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,4.74
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,8.15
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,6.98
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,4.14
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,4.17
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,7.48
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,4.48
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,7.3
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,7.06
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,6.74
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,4.4
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,4.42
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,4.77
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,8.0
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,6.92
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,8.1
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,4.82
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,4.77
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL148167,7.89
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1,CHEMBL358290,6.9
+NS(=O)(=O)c1ccc(NC(=S)NCCc2cnc[nH]2)cc1,CHEMBL148426,7.04
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)O)cc1,CHEMBL144766,7.26
+NS(=O)(=O)c1ccc(NC(=S)NC(CCC(=O)O)C(=O)O)cc1,CHEMBL356059,7.42
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL144970,7.33
+CC(O)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144186,7.52
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144982,7.27
+NS(=O)(=O)c1ccc(NC(=S)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL2370954,7.7
+NC(=O)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144006,7.57
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL344132,7.59
+CCC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL147385,7.66
+NS(=O)(=O)c1ccc(NC(=S)NCc2ccccn2)cc1,CHEMBL144667,6.87
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL144122,7.52
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(C(=O)O)c2)cc1,CHEMBL344316,7.3
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O,CHEMBL148387,7.64
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)O)cc1,CHEMBL147726,7.46
+NS(=O)(=O)c1ccc(NC(=S)NC(CO)C(=O)O)cc1,CHEMBL148069,7.55
+NS(=O)(=O)c1ccc(NC(=S)N2CCCC2C(=O)O)cc1,CHEMBL144537,6.96
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)O)cc1,CHEMBL421940,7.33
+CSCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357601,7.57
+NC(=O)CCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL421767,7.4
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)NCC(=O)O)cc1,CHEMBL342088,7.27
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL144786,7.7
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL145256,7.23
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)O)cc1,CHEMBL356322,7.21
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL342050,7.68
+NS(=O)(=O)c1ccc(NC(=S)NCCCC(=O)O)cc1,CHEMBL144322,7.35
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)cc1,CHEMBL357388,7.3
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL3143261,7.23
+NCCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357475,7.01
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144352,7.64
+CC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL146887,7.64
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)c2ccccc2)cc1,CHEMBL144383,7.4
+NS(=O)(=O)c1ccc(NC(=S)NC(CS)C(=O)O)cc1,CHEMBL144716,7.6
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL143992,7.46
+NS(=O)(=O)c1ccc(N=C=S)cc1,CHEMBL144818,5.3
+N=C(N)NCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL344757,6.94
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)C(O)c2ccccc2)cc1,CHEMBL144946,7.62
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144301,7.49
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL143891,7.68
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccn2)cc1,CHEMBL143033,6.91
+CCNC1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CNC)cc21,CHEMBL341002,7.11
+CN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=N)N,CHEMBL123108,8.0
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)C(=N)N,CHEMBL123398,7.34
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL125776,6.29
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL122573,6.25
+CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C(=N)N,CHEMBL123065,6.51
+CNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL332222,8.0
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123535,5.82
+CNCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL121662,6.28
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1)C(=N)N,CHEMBL330755,8.05
+CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122817,6.11
+CN(CC(=O)NNc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL123066,4.68
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122870,6.24
+NCC(=O)NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL332221,7.68
+CNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL124224,6.09
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CNC(=O)CN,CHEMBL123047,6.55
+NCC(=O)NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122781,6.49
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL125338,7.92
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL121782,7.29
+NCC(=O)NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122280,4.6
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122961,6.22
+NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122749,6.44
+NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122336,5.74
+NCC(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122074,6.44
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL123827,7.27
+CCN(C(=O)CN(C)C(=N)N)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112600,7.12
+CN(CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)C(=N)N,CHEMBL333692,6.72
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=N)N,CHEMBL331738,6.29
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL122484,4.82
+CNCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL331932,4.78
+CN(CC(=O)Nc1ccccc1S(N)(=O)=O)C(=N)N,CHEMBL121927,4.69
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)C(=N)N,CHEMBL332225,6.29
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL126179,8.05
+NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122249,5.85
+NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL121393,7.8
+CNCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL123652,6.02
+NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL334088,6.28
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122394,5.82
+CCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112602,7.05
+NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL331727,7.22
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL338513,7.22
+NCC(=O)NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL122767,4.77
+NCC(=O)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122839,5.87
+CNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1,CHEMBL123606,7.96
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL124165,4.84
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1)C(=N)N,CHEMBL419604,7.92
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL332744,6.27
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL125980,6.23
+NCC(=O)NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL124450,6.3
+CN(CC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1)C(=N)N,CHEMBL331697,7.96
+CCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112599,7.01
+CNCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122951,6.52
+CNCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL541990,7.96
+CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122730,6.02
+CN(CC(=O)NS(=O)(=O)c1ccc(CO)cc1)C(=N)N,CHEMBL123603,5.92
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL332586,4.82
+CNCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C,CHEMBL122444,6.54
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1)C(=N)N,CHEMBL122720,7.96
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1,CHEMBL332220,7.89
+CNCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL123599,8.0
+CN(CC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)C(=N)N,CHEMBL333033,6.28
+NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL122176,7.21
+NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340569,7.77
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL122926,7.3
+CN(CC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL122349,6.77
+NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332549,4.6
+NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122395,6.07
+NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122762,4.59
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL121726,6.27
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN,CHEMBL121364,6.47
+NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL331386,7.68
+CNCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332200,4.69
+CNCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122808,6.46
+NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122756,6.46
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL331331,7.21
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL124046,4.82
+CN(CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL332648,7.68
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL123877,6.22
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=N)N,CHEMBL332119,6.28
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1I)C(=N)N,CHEMBL124168,6.26
+CNCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL123982,4.66
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL331527,7.89
+NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL125376,4.74
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL123878,6.27
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL124399,6.21
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1,CHEMBL333874,7.82
+NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL122390,8.05
+CN(CC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=N)N,CHEMBL121696,7.28
+CNCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL121809,7.22
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL451190,7.85
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL125729,6.3
+CNCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL123539,7.68
+CNCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL121777,5.82
+CNCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123116,5.89
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1)C(=N)N,CHEMBL123482,7.35
+CN(CC(=O)NS(=O)(=O)c1ccc(CCO)cc1)C(=N)N,CHEMBL333954,6.0
+CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=N)N,CHEMBL121922,4.79
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(N)cc1,CHEMBL331083,9.0
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL122795,7.26
+NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL332527,5.77
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL122786,7.92
+NCC(=O)NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL331002,4.63
+NCC(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122838,6.1
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL122953,6.26
+NCC(=O)NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340503,7.8
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL76607,6.57
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL309431,8.0
+COCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL96020,7.8
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)O)c2)s1,CHEMBL97141,7.17
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95545,7.89
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL265261,7.77
+COCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL319110,7.82
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98389,7.96
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL418783,7.92
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL318028,7.8
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95943,7.74
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100266,7.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,7.82
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL95637,7.14
+COCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95421,7.77
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317807,7.82
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL328648,7.89
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1,CHEMBL329311,7.35
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCO)c2)s1,CHEMBL328633,7.8
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCO)cc2)s1,CHEMBL98877,7.85
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98146,7.89
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100329,7.85
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317383,7.8
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95264,7.82
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL99337,7.92
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL99257,7.89
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)OCCO)cc1,CHEMBL318820,7.7
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL98871,7.3
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)OCCO)c1,CHEMBL419329,7.64
+COCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL99927,7.92
+CCCCCOS(N)(=O)=O,CHEMBL358643,6.15
+CCCCOS(N)(=O)=O,CHEMBL150652,5.51
+CCCCCCCCCCCOS(N)(=O)=O,CHEMBL356681,6.37
+CCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152907,6.82
+NS(=O)(=O)OCc1ccccc1,CHEMBL440912,6.12
+NS(=O)(=O)OCC1c2ccccc2-c2ccccc21,CHEMBL152994,4.42
+NS(=O)(=O)OC1CCCCC1,CHEMBL346866,4.23
+CCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152962,4.24
+CCOS(N)(=O)=O,CHEMBL149514,4.42
+CCCOS(N)(=O)=O,CHEMBL348471,5.43
+C[C@]12CCC3C(C(=O)C=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL422864,6.39
+CCCCCCCCCCOS(N)(=O)=O,CHEMBL153094,6.28
+CCCCCCCCCCCCOS(N)(=O)=O,CHEMBL153027,6.57
+Cc1ccc(COS(N)(=O)=O)cc1,CHEMBL154865,7.0
+CCCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL450930,4.19
+NS(=O)(=O)OCC(F)(F)F,CHEMBL153068,5.11
+NS(=O)(=O)OCCc1ccccc1,CHEMBL436261,6.39
+NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F,CHEMBL357533,5.45
+NS(=O)(=O)OCCCCl,CHEMBL345493,5.34
+C[C@]12CCC3C(C1CCC2=O)[C@H](O)C=C1CC(OS(N)(=O)=O)CC[C@@]13C,CHEMBL345776,6.4
+COS(N)(=O)=O,CHEMBL150650,4.4
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)O)CC(=O)O,CHEMBL154106,7.27
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCCOc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)CC(=O)O)cc2s1,CHEMBL346691,7.8
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL191109,5.82
+NS(=O)(=O)c1ccc(CNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL372888,5.84
+NS(=O)(=O)c1ccc(CCNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL186522,5.89
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(F)c1,CHEMBL187974,6.01
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Cl)c1,CHEMBL366082,6.02
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Br)c1,CHEMBL187919,5.96
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(I)c1,CHEMBL187947,5.97
+NS(=O)(=O)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL188002,5.85
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)cc1,CHEMBL360604,6.2
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)s1,CHEMBL361496,6.32
+Cc1ncc(CO)c(CNc2nc(NCCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL193008,5.07
+CN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL190023,7.2
+CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL192834,7.12
+CN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL189523,7.12
+CCN(CC)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL191576,6.89
+CCN(CC)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL193178,6.89
+CCN(CC)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL440026,6.81
+CCCN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190538,6.75
+CCCN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190907,6.74
+CCCN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL189681,6.7
+NS(=O)(=O)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL372442,6.06
+NS(=O)(=O)c1ccc(CNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL366276,6.2
+NS(=O)(=O)c1ccc(CCNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL190464,6.26
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,7.48
+COC(=O)CNc1nc(Cl)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190733,7.41
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL190024,7.485
+Nc1nc(N)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL363874,7.06
+Nc1nc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364754,7.02
+NN=c1nc(NN)[nH]c(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190550,7.03
+NN=c1nc(NN)[nH]c(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190721,6.98
+NN=c1nc(NN)[nH]c(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371403,6.95
+CCNc1nc(NCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL191380,6.98
+CCNc1nc(NCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364919,6.95
+CC(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL366223,6.63
+CC(C)Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL191884,6.61
+CC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL189527,6.62
+CCCNc1nc(NCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL193513,6.43
+CCCNc1nc(NCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL434909,6.37
+CCCNc1nc(NCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL192950,6.27
+CCCCNc1nc(NCCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190531,6.25
+CCCCNc1nc(NCCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371632,6.21
+CCCCNc1nc(NCCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190056,6.21
+CCN(CC)CCNc1nc(NCCN(CC)CC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190278,6.25
+NS(=O)(=O)c1ccc(Nc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL190329,5.81
+NS(=O)(=O)c1ccc(CNc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL426625,5.79
+Cc1ncc(CO)c(CNc2nc(NCc3c(CO)cnc(C)c3O)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1O,CHEMBL365380,5.46
+Cc1ncc(CO)c(CNc2nc(NCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL192670,5.38
+CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]c1=S,CHEMBL370105,5.59
+COc1ccc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[nH]c2=S)cc1,CHEMBL370715,5.05
+Nc1n[nH]c(=S)s1,CHEMBL372507,5.15
+CC(=O)Nc1n[nH]c(=S)s1,CHEMBL382111,5.35
+O=C(Nc1n[nH]c(=S)s1)c1ccccn1,CHEMBL194016,7.01
+O=C(O)c1cccnc1C(=O)Nc1n[nH]c(=S)s1,CHEMBL195051,5.08
+O=C(Nc1n[nH]c(=S)s1)N(c1ccccc1)c1ccccc1,CHEMBL440031,5.15
+O=[N+]([O-])c1ccc(SNc2n[nH]c(=S)s2)cc1,CHEMBL193436,5.14
+CN(C)c1cccc2c(S(=O)(=O)Nc3n[nH]c(=S)s3)cccc12,CHEMBL193389,5.12
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(=S)s1,CHEMBL365326,5.07
+O=C(Nc1n[nH]c(=S)s1)NS(=O)(=O)Nc1n[nH]c(=S)s1,CHEMBL363820,5.4
+CS(N)(=O)=O,CHEMBL305268,4.68
+CCCCCCCCCCNS(=O)(=O)NO,CHEMBL193635,5.24
+CCCCCCCCCCCCNS(=O)(=O)NO,CHEMBL195370,5.22
+O=S(=O)(NO)NCc1ccccc1,CHEMBL193396,5.09
+O=S(=O)(NO)NCc1ccc(-c2ccccc2)cc1,CHEMBL370104,5.09
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL364081,6.98
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL362989,8.02
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195509,6.76
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195147,6.63
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193964,6.68
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL195811,8.51
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195194,6.61
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195978,6.57
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1,CHEMBL365344,8.07
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCc3ccccn3)cc2)cc1,CHEMBL196435,6.45
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL196198,8.43
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL196285,6.51
+Cc1ccc(S(N)(=O)=O)cc1,CHEMBL574,4.11
+NS(=O)(=O)c1nc2ccccc2s1,CHEMBL168552,7.02
+NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1,CHEMBL360356,6.16
+Nc1ccc(S(=O)(=O)NC2NN=C(S(N)(=O)=O)S2)cc1,CHEMBL427312,8.22
+NNc1ccccc1S(N)(=O)=O,CHEMBL176495,4.606
+CNc1ccc(S(N)(=O)=O)cc1,CHEMBL174847,4.6
+CN(N)c1ccc(S(N)(=O)=O)cc1,CHEMBL183913,4.55
+NS(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL182723,7.51
+C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189294,7.27
+NC(=O)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL361066,7.57
+NC(=O)CC[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189079,7.4
+CC[C@H](C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL361699,7.66
+CC(C)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL188512,7.68
+CSCC[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL189346,7.57
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL366098,7.52
+NS(=O)(=O)c1ccc(NC(=S)N2CCC[C@H]2C(=O)O)cc1,CHEMBL189606,6.96
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL188191,7.33
+CC(C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL362337,7.64
+CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL362345,7.24
+CNC(=O)COC(=O)[C@H](CC(N)=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL366315,7.54
+CNC(=O)COC(=O)[C@H](CCC(N)=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL187896,7.28
+CC[C@H](C)[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC(=O)NC,CHEMBL185746,7.6
+CNC(=O)COC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL426803,7.64
+CNC(=O)COC(=O)[C@H](CCSC)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL361026,7.51
+CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL362892,7.38
+CNC(=O)COC(=O)[C@@H]1CCCN1C(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL365698,6.71
+CNC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL188774,7.19
+CNC(=O)COC(=O)[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL189297,7.51
+[CH+]=NO,CHEMBL185198,6.15
+C#N,CHEMBL183419,6.3
+NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL196608,7.0
+NS(=O)(=O)c1ccc(C/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL197104,7.54
+NS(=O)(=O)c1ccc(CC/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL373184,7.46
+Cc1ccc2occ(/C=N/c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL381243,7.21
+Cc1ccc2occ(/C=N/Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL193907,7.36
+Cc1ccc2occ(/C=N/CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL197031,7.52
+NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1,CHEMBL195615,7.43
+Cc1ccc2occ(/C=N/c3nccc(Nc4ccc(S(N)(=O)=O)cc4)n3)c(=O)c2c1,CHEMBL372497,7.49
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(F)(F)F)cc1/N=C/c1coc2ccccc2c1=O,CHEMBL193924,7.03
+Cc1ccc2occ(/C=N/c3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)c(=O)c2c1,CHEMBL196697,7.07
+NC(=O)OP(=O)(O)O,CHEMBL186043,5.03
+N#CO,CHEMBL1161700,6.15
+CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183701,7.03
+Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183240,6.57
+NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1,CHEMBL182429,7.1
+C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)C5CC[C@]43C)C12,CHEMBL2113026,6.97
+NS(=O)(=O)OCCCCOS(N)(=O)=O,CHEMBL353258,6.26
+NS(=O)(=O)OCCCCCCOS(N)(=O)=O,CHEMBL182276,6.87
+NS(=O)(=O)OCCCCCCCOS(N)(=O)=O,CHEMBL182440,6.84
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,6.42
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,6.05
+NS(=O)(=O)OCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL361421,5.87
+NS(=O)(=O)OCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL181753,4.78
+CC(OS(N)(=O)=O)C(C)OS(N)(=O)=O,CHEMBL170139,5.19
+CC(COS(N)(=O)=O)COS(N)(=O)=O,CHEMBL181357,6.06
+NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL361827,7.095
+NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL180323,5.53
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL179136,5.94
+CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL368235,5.84
+CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL367844,5.92
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL369179,6.12
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL369045,6.06
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,CHEMBL367378,5.94
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL176283,5.84
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1,CHEMBL178948,5.89
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,CHEMBL175881,5.62
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2c3ccccc3-c3ccccc32)cc1,CHEMBL179021,5.87
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL359546,5.9
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL175486,6.1
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL175866,6.15
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL180111,6.22
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL179047,6.26
+COC(=O)c1ccccc1S(N)(=O)=O,CHEMBL148680,4.45
+NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL361191,4.61
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1,CHEMBL179137,5.32
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL179682,5.33
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2S(N)(=O)=O)cc1,CHEMBL175503,5.47
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL175432,5.31
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL180012,5.44
+NNc1ccc(S(N)(=O)=O)cc1F,CHEMBL176180,5.48
+NNc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL176203,5.55
+CC(=O)NNc1ccccc1S(N)(=O)=O,CHEMBL175652,4.32
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N=C=S)cc2)s1,CHEMBL187034,7.82
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL362499,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)s1,CHEMBL187259,7.24
+CN1CCN(NC(=S)Nc2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)CC1,CHEMBL363931,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1,CHEMBL187372,7.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)s1,CHEMBL365507,7.62
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)s1,CHEMBL427329,9.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL445650,9.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(O)C(O)c3ccc([N+](=O)[O-])cc3)cc2)s1,CHEMBL185170,9.22
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCCN3CCN(CCCNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4)CC3)cc2)s1,CHEMBL435094,7.21
+NS(=O)(=O)c1ccc2c(c1)CCC2,CHEMBL364869,6.67
+NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL559179,7.48
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2,CHEMBL364127,7.44
+CCCCC(CCCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL185041,8.8
+COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL185671,8.46
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)cc(F)c1F)C2,CHEMBL186963,8.14
+CC(=O)NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL363489,7.05
+NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL186263,7.37
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CHEMBL366069,6.92
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187901,6.87
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187274,7.12
+NS(=O)(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL183153,6.99
+NS(=O)(=O)c1ccc(CNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL185473,7.03
+NS(=O)(=O)c1ccc(CCNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL359997,7.02
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,7.08
+CNc1nc(NC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186504,7.05
+CNc1nc(NC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL184107,7.06
+COc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL365860,7.07
+COc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL185549,6.94
+COc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL184923,6.98
+CCOc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL363543,7.11
+CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL183945,6.96
+CCOc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL366086,7.09
+NS(=O)(=O)c1ccc(CCNC(=S)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL178603,6.95
+NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1,CHEMBL182135,7.14
+NN(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL362636,7.1
+NCC(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL178560,7.4
+NC(CS)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181082,7.62
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL361955,7.02
+NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCOCC2)cc1,CHEMBL538564,7.27
+CN1CCN(NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL181716,7.1
+CN(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL179218,7.0
+NC(=O)CC(N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181422,7.48
+NS(=O)(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1,CHEMBL178403,7.62
+N=C(N)NCCCC(N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL180936,7.13
+CN(C)CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL181825,7.2
+NN(NC(=S)NCCc1ccc(S(N)(=O)=O)cc1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL182197,7.21
+NCCCN1CCN(CCCNNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL178664,6.6
+NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL180506,7.27
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1,CHEMBL179355,7.11
+NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(C(=O)O)cc2)cc1,CHEMBL180195,6.49
+CN1CCN(NNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL360254,7.14
+NCCCN1CCN(CCCNNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL180675,6.5
+NS(=O)(=O)c1ccc(NC(=S)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL413357,6.87
+NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCNCC2)cc1,CHEMBL180177,7.3
+CN1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL183763,6.19
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1,CHEMBL183775,8.03
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL182637,6.26
+CC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182476,6.42
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL182523,6.12
+NS(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,CHEMBL180943,8.02
+CC1CCN(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182185,6.09
+NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1,CHEMBL360041,6.43
+NS(=O)(=O)c1ccc(NC(=O)CCCCN2CCOCC2)cc1,CHEMBL183450,8.1
+NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1,CHEMBL182634,7.85
+CC1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL183442,8.09
+NS(=O)(=O)c1nnc(NC(=O)CN2CCN(Cc3ccccc3)CC2)s1,CHEMBL183705,8.12
+CN1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL179897,8.02
+CN1CCN(CCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL360097,8.15
+CC1(C)OB(c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL189113,7.15
+CC1(C)OB(c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL193199,7.16
+CC1(C)OB(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL373325,7.15
+CC1(C)OB(c2ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)OC1(C)C,CHEMBL189729,7.44
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,7.04
+CC1(C)OB(c2ccc(OS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190448,7.03
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL190392,7.16
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Br)cc2)OC1(C)C,CHEMBL190314,7.14
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Cl)cc2)OC1(C)C,CHEMBL191799,7.15
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3F)cc2)OC1(C)C,CHEMBL193191,7.11
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3I)cc2)OC1(C)C,CHEMBL192997,7.04
+CC1(C)OB(c2ccc(NC(=S)Nc3cccc(S(N)(=O)=O)c3)cc2)OC1(C)C,CHEMBL190622,7.15
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)OC1(C)C,CHEMBL364903,7.31
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)OC1(C)C,CHEMBL189065,7.47
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL195946,7.2
+CC1=CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL195947,7.07
+CCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL539940,6.28
+O=S1(=O)C=Cc2ccc(S(=O)(=O)NCC3CC3)cc21,CHEMBL196433,6.31
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2,CHEMBL194528,7.14
+CCCCOC1CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL371155,6.98
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1,CHEMBL196202,6.86
+NS(=O)(=O)c1ccc2c(c1)C=CS2(=O)=O,CHEMBL195035,7.12
+CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL193648,6.9
+CC(=O)Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193825,6.61
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1,CHEMBL194350,6.58
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1,CHEMBL254833,7.3
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL365558,7.43
+NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1,CHEMBL370526,5.82
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl,CHEMBL363168,6.05
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,CHEMBL194634,8.52
+NS(=O)(=O)c1nnc(NS(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL382075,8.52
+NS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1,CHEMBL197412,6.54
+NS(=O)(=O)C(F)(F)c1ccccc1,CHEMBL371870,6.45
+NS(=O)(=O)Cc1ccccc1,CHEMBL369953,5.9
+Cc1ccc(C(F)(F)S(N)(=O)=O)cc1,CHEMBL199464,6.02
+NS(=O)(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1,CHEMBL370159,5.95
+NS(=O)(=O)C(F)(F)c1ccccc1Br,CHEMBL199493,5.28
+NS(=O)(=O)C(F)(F)c1cccc(Br)c1,CHEMBL200673,5.96
+NS(=O)(=O)C(F)(F)c1ccc(Br)cc1,CHEMBL370854,6.56
+Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12,CHEMBL198913,7.01
+Cc1cc(=O)oc2cc(C(F)(F)S(N)(=O)=O)ccc12,CHEMBL198891,6.38
+C[C@]12CC[C@@H]3c4ccc(CS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628081,6.94
+C[C@]12CC[C@@H]3c4ccc(C(F)(F)S(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628004,7.02
+CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL206295,6.47
+CC(C)(C)c1ccc(S(=O)(=O)CCNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204049,4.92
+CC(C)(C)c1ccc(S(=O)(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204954,4.92
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL203498,4.89
+CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL206261,5.02
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL203534,4.83
+CC(C)(C)c1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL206657,6.27
+CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL204077,4.9
+CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL381544,4.88
+CC(C)(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL425044,4.85
+CC(C)(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL203112,4.97
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL204326,4.91
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,5.27
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,6.06
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,6.08
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,5.46
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,5.45
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,5.38
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,6.11
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,6.06
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,6.09
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)NN)cc1Cl,CHEMBL215276,4.85
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)NN)cc1Cl,CHEMBL387480,5.11
+COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL380158,5.24
+COC(=O)CS(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL212811,5.29
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)O)cc1Cl,CHEMBL385073,4.56
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)O)cc1Cl,CHEMBL215355,4.94
+CCOC(=O)c1cc(S(N)(=O)=O)c(S)cc1Cl,CHEMBL215990,5.19
+CCOC(=O)c1cc(S(N)(=O)=O)c(SSc2cc(Cl)c(C(=O)OCC)cc2S(N)(=O)=O)cc1Cl,CHEMBL384791,5.11
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S,CHEMBL215291,4.71
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(C(=O)NCc2ccccc2)cc1S(N)(=O)=O,CHEMBL215548,4.09
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1S,CHEMBL386517,5.59
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(C(=O)N2CCCC2)cc1S(N)(=O)=O,CHEMBL214993,4.66
+NS(=O)(=O)c1cc2c(cc1S)NCNS2(=O)=O,CHEMBL215916,5.13
+CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL215917,4.96
+NS(=O)(=O)c1ccc(NC(=O)CCS)cc1,CHEMBL214201,7.13
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2F)c(F)c1,CHEMBL212944,7.16
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(F)c1,CHEMBL212440,7.74
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(Cl)c1,CHEMBL213777,7.15
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1,CHEMBL373666,8.0
+NS(=O)(=O)c1ccc(CCNC(=O)CCSSCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL215936,5.29
+NS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1,CHEMBL215810,6.56
+NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL377107,7.22
+NS(=O)(=O)c1nnc(NC(=O)CCS)s1,CHEMBL377326,7.77
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCSSCCC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL436936,7.39
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCS,CHEMBL427654,8.02
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL418037,5.36
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1,CHEMBL386049,6.56
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL353498,5.37
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1,CHEMBL214745,7.07
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL209732,7.01
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL425274,5.36
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL383897,5.64
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL385152,5.7
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL387076,5.25
+C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL217569,5.4
+C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL386542,5.21
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL216319,8.11
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217359,5.31
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL217166,5.57
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL386318,5.62
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL214926,5.24
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL216208,5.44
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL386416,5.18
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL386266,5.06
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL216312,8.02
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216214,5.27
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL217683,5.62
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216563,5.24
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217303,5.32
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL215182,5.29
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217232,5.04
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL216210,5.92
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL216245,5.51
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217454,5.47
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL410510,5.03
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217304,4.98
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL217288,5.46
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(COC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215156,5.41
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL384644,5.02
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(CNC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215105,5.04
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,5.46
+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL2113266,8.14
+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,CHEMBL434928,5.36
+NS(=O)(=O)c1ccc(-n2cc(COC3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL223215,8.07
+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL390318,5.33
+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL387397,8.15
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2113265,8.09
+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1,CHEMBL220992,5.28
+CC(=O)O[C@@H]1C(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL390524,5.24
+CC(=O)OC[C@H]1O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL221576,8.16
+CC(=O)OC[C@H]1O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL374275,5.82
+N#[N+][N-]c1ccc(S(N)(=O)=O)cc1,CHEMBL222837,5.41
+CCCCC(NOCc1ccc(Cl)cc1)C(=O)NO,CHEMBL388309,4.99
+CC(NOCc1ccc(Cl)cc1)C(=O)NO,CHEMBL228229,5.01
+O=C(CNOCc1ccc(Cl)cc1)NO,CHEMBL227566,5.0
+CCC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(OC)cc1,CHEMBL388982,5.01
+COc1ccc(S(=O)(=O)N(OC(C)C)C(C(=O)NO)C(C)C)cc1,CHEMBL442057,5.05
+COc1ccc(S(=O)(=O)N(CC(=O)NO)OCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL228176,5.23
+COc1ccc(S(=O)(=O)N(CC(=O)NO)OC2C3CC4CC(C3)CC2C4)cc1,CHEMBL227567,6.05
+CCCCCCCCCCCCCCON(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL227565,6.05
+COc1ccc(S(=O)(=O)N(CC(=O)NO)OC(C)C)cc1,CHEMBL226439,5.39
+COc1ccc(S(=O)(=O)N(CC(=O)NO)OCc2ccccc2)cc1,CHEMBL226438,6.06
+CCON(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL376841,5.05
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL234737,5.63
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL234735,5.6
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL234530,7.02
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL234529,5.75
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL388671,6.94
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL388453,5.46
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395981,5.03
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)NCc5ccc(S(N)(=O)=O)cc5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395734,4.88
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL233019,4.96
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4Cl)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232816,4.91
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(S(N)(=O)=O)c4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232617,4.99
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232616,4.96
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL390035,4.97
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,6.46
+NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,CHEMBL328560,6.43
+CC(=O)OC[C@H]1O[C@H](NS(N)(=O)=O)C=C[C@@H]1OC(C)=O,CHEMBL394471,6.38
+CC(=O)OC[C@H]1O[C@H](NS(N)(=O)=O)C=C[C@H]1OC(C)=O,CHEMBL236052,6.38
+O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)Nc1n[nH]c(=S)s1,CHEMBL236146,5.23
+O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)Nc1n[nH]c(=S)s1,CHEMBL236145,5.43
+O=C(N/N=C1\C(=O)Nc2ccccc21)Nc1n[nH]c(=S)s1,CHEMBL392816,5.1
+CC(C)C/C=N/NC(=O)Nc1n[nH]c(=S)s1,CHEMBL235506,5.07
+O=C(N/N=C/c1ccco1)Nc1n[nH]c(=S)s1,CHEMBL235505,4.14
+O=C(N/N=C/c1cccnc1)Nc1n[nH]c(=S)s1,CHEMBL395370,5.06
+O=C(NN=C(c1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL235708,5.36
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc([N+](=O)[O-])cc1,CHEMBL235502,5.06
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(Br)cc1,CHEMBL235501,4.37
+COc1ccc(/C(C)=N/NC(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL235913,5.37
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(O)cc1,CHEMBL235701,5.48
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(C)cc1,CHEMBL235700,5.36
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1,CHEMBL235692,5.04
+O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1n[nH]c(=S)s1,CHEMBL391326,5.15
+O=C(N/N=C/c1ccc(F)cc1)Nc1n[nH]c(=S)s1,CHEMBL394750,4.51
+O=C(N/N=C/c1ccc(Br)cc1)Nc1n[nH]c(=S)s1,CHEMBL235474,5.59
+O=C(N/N=C/c1cccc(Br)c1)Nc1n[nH]c(=S)s1,CHEMBL235473,4.14
+O=C(N/N=C/c1ccc(Cl)cc1)Nc1n[nH]c(=S)s1,CHEMBL394749,4.73
+O=C(N/N=C/c1ccccc1Cl)Nc1n[nH]c(=S)s1,CHEMBL394748,5.48
+COc1cc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)ccc1O,CHEMBL235471,4.29
+COc1ccc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL235236,4.58
+COc1cccc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)c1,CHEMBL394938,5.07
+O=C(N/N=C/c1ccc(O)cc1)Nc1n[nH]c(=S)s1,CHEMBL235466,5.1
+O=C(N/N=C/c1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL235465,5.52
+NNC(=O)Nc1n[nH]c(=S)s1,CHEMBL237422,5.15
+NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1,CHEMBL253997,8.52
+NS(=O)(=O)c1ccc(CC/N=C/c2ccncc2)cc1,CHEMBL253362,6.74
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc[nH]2)cc1,CHEMBL254212,6.21
+Cn1cccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL254211,6.7
+Cn1cccc1/C=N/Cc1ccc(S(N)(=O)=O)cc1,CHEMBL400889,6.7
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc([N+](=O)[O-])c2)cc1,CHEMBL254005,5.96
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL399457,7.22
+Cc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL430213,7.4
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL438693,8.4
+Cc1ccc(S(=O)(=O)NC(=O)Nc2c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c2Cl)cc1,CHEMBL255047,8.1
+NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL254835,8.4
+NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL120304,8.52
+NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL254834,8.15
+Oc1cc(F)cc(F)c1,CHEMBL259068,4.41
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,8.12
+NS(=O)(=O)c1ccc(-c2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL409306,8.6
+NS(=O)(=O)c1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1,CHEMBL259682,8.55
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,CHEMBL411092,5.37
+COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL270335,6.25
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270334,5.36
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL407716,5.3
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL270990,8.03
+CC(=O)O[C@@H]1[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL270989,7.98
+CC(=O)OC[C@H]1O[C@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL273046,8.8
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)nn2)cc1,CHEMBL272611,5.28
+COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL412069,7.32
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270994,5.3
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(-c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL272900,5.6
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL437092,5.37
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL269852,5.36
+C#Cc1ccc(S(N)(=O)=O)cc1,CHEMBL272881,5.97
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,4.73
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,7.21
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,4.28
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,6.46
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,5.0
+O=C(O)c1ccccc1O,CHEMBL424,5.0
+Oc1ccc(O)cc1,CHEMBL537,4.97
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL256303,6.77
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL257832,7.05
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL439243,6.44
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC(C)(C)N1[O],CHEMBL257192,6.11
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2Cl)CC(C)(C)N1[O],CHEMBL436648,6.89
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2F)CC(C)(C)N1[O],CHEMBL404221,6.63
+CC1(C)CC(NC(=S)Nc2cccc(S(N)(=O)=O)c2)CC(C)(C)N1[O],CHEMBL255710,5.68
+CC1(C)CC(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257386,6.74
+CC1(C)CC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL403152,6.69
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257163,6.75
+NS(=O)(=O)c1ccc(CNC(=O)NC2CC2c2ccccc2)cc1,CHEMBL453731,4.92
+N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,CHEMBL508489,5.08
+NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL461600,5.37
+NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL461601,5.09
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL511186,6.06
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3,CHEMBL517746,4.82
+O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,CHEMBL421,5.16
+O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,CHEMBL898,5.07
+O=C(O)c1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL447810,4.83
+O=C(O)c1cc(Cl)ccc1O,CHEMBL1375,5.38
+NS(=O)(=O)c1ccc(CCC(=O)O)cc1,CHEMBL451332,5.17
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(/N=N/c4ccc(O)cc4)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL510182,6.28
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(O)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL513659,6.4
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(I)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL513820,5.73
+N#Cc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1,CHEMBL466495,6.35
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)OC(C)(C)C,CHEMBL507085,6.82
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(NN=C(C(=O)c4ccccc4)C(=O)c4ccccc4)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL503194,6.7
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL445982,7.09
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL499578,6.12
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(C)=O,CHEMBL453931,6.62
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL444683,6.52
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2ccc(N)cc2)c1-c1ccccc1,CHEMBL513122,5.54
+Nc1ccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1,CHEMBL513141,5.62
+Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)c3ccccc3)c2-c2ccccc2)c1,CHEMBL513840,5.57
+NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(/N=N/c4c(O)ccc5ccccc45)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1,CHEMBL508578,6.92
+CC(=O)Cn1c(C)cc2c(-n3nc(C(=O)Nc4nnc(S(N)(=O)=O)s4)c(C(=O)c4ccccc4)c3-c3ccccc3)cccc21,CHEMBL443431,6.66
+COc1cc2c(cc1OC)C(c1ccccc1)N(S(N)(=O)=O)CC2,CHEMBL466841,5.05
+COc1cc2c(cc1OC)C(c1ccc(Br)cc1)N(S(N)(=O)=O)CC2,CHEMBL466842,4.59
+COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2,CHEMBL468729,5.03
+COc1cc2c(cc1OC)C(c1ccc(C#N)cc1)N(S(N)(=O)=O)CC2,CHEMBL468730,5.39
+COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(S(N)(=O)=O)CC2,CHEMBL511425,5.35
+COc1cc2c(cc1OC)C(c1ccc(C)cc1)N(S(N)(=O)=O)CC2,CHEMBL468106,5.46
+COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2,CHEMBL468105,5.11
+COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2,CHEMBL466647,6.48
+COc1cc2c(cc1OC)C(c1cccc(N)c1)N(S(N)(=O)=O)CC2,CHEMBL511554,5.42
+COc1cc2c(cc1OC)C(c1ccc(N)cc1)N(S(N)(=O)=O)CC2,CHEMBL469148,5.09
+CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL470399,8.15
+CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL472077,8.15
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498758,7.22
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL484530,7.22
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL496880,7.21
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL499111,7.1
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL504121,7.1
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL519447,7.04
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL444912,7.01
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498757,7.0
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL525195,6.99
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL480302,6.99
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498750,6.94
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL517088,6.93
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,5.46
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,5.44
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1,CHEMBL468839,5.26
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1,CHEMBL512809,5.24
+Cc1cc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)ccc1F,CHEMBL467979,5.19
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1,CHEMBL468367,5.34
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL469064,7.0
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL513185,5.66
+Cc1ccccc1-c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL445517,5.52
+Cc1cccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c1,CHEMBL469221,5.4
+Nc1ccc(S(O)(O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL456724,8.22
+NS(=O)(=O)Nc1nncs1,CHEMBL449527,5.13
+CCc1nnc(NS(N)(=O)=O)s1,CHEMBL500977,5.15
+CC(C)(C)c1nnc(NS(N)(=O)=O)s1,CHEMBL475775,5.26
+NS(=O)(=O)Nc1nnc(C(F)(F)F)s1,CHEMBL499560,5.16
+CSc1nnc(NS(N)(=O)=O)s1,CHEMBL459356,5.62
+CCSc1nnc(NS(N)(=O)=O)s1,CHEMBL451538,5.72
+NS(=O)(=O)Nc1nnc(-c2ccccc2)s1,CHEMBL475776,5.78
+COc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1,CHEMBL443769,6.99
+NS(=O)(=O)Nc1nnc(-c2ccc(Br)cc2)s1,CHEMBL482149,5.23
+CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1,CHEMBL482150,6.99
+NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL512633,7.32
+CC(=O)OC[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL505415,5.06
+COC(=O)[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL468346,5.62
+CC(C)[C@H](C(=O)NO)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL471537,6.14
+CC(C)c1cccc(C(C)C)c1O,CHEMBL526,4.0
+COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CHEMBL98253,4.2
+COc1ccccc1O,CHEMBL13766,4.22
+COc1c(O)cccc1C=O,CHEMBL507918,4.25
+Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O,CHEMBL449983,4.03
+CC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O,CHEMBL478518,4.42
+CC(C)(C)c1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,CHEMBL1662,4.43
+N#C[Se],CHEMBL448089,4.07
+S=C(S)S,CHEMBL471245,5.06
+CCN(CC)C(=S)S,CHEMBL107217,6.1
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,7.29
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2F)cc1,CHEMBL549940,6.21
+NS(=O)(=O)c1ccc(CCNCc2ccccc2F)cc1,CHEMBL549331,6.59
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(S(=O)(=O)O)o2)cc1,CHEMBL564969,7.46
+NS(=O)(=O)c1ccc(CCNCc2ccc(S(=O)(=O)O)o2)cc1,CHEMBL550892,7.41
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc(C(=O)O)c2)cc1,CHEMBL563360,7.19
+NS(=O)(=O)c1ccc(CCNCc2cccc(C(=O)O)c2)cc1,CHEMBL558877,7.41
+O=S(=O)(O)c1ccc(/C=N/Cc2ccccc2)o1,CHEMBL561760,5.05
+O=S(=O)(O)c1ccc(CNCc2ccccc2)o1,CHEMBL561761,5.46
+CCCCc1ccc(B(O)O)cc1,CHEMBL555064,5.1
+COc1ccc(B(O)O)cc1,CHEMBL21427,4.96
+OB(O)c1ccc(Br)cc1,CHEMBL20866,4.93
+OB(O)c1ccc(-c2ccccc2)cc1,CHEMBL485742,5.43
+OB(O)c1ccc(Oc2ccccc2)cc1,CHEMBL459151,5.22
+OB(O)c1ccc2ccccc2c1,CHEMBL141079,5.19
+OB(O)/C=C/c1ccccc1,CHEMBL559289,4.9
+Cc1ccc(/C=C/B(O)O)cc1,CHEMBL551649,4.92
+OB(O)/C=C/c1ccc(-c2ccccc2)cc1,CHEMBL453758,4.97
+OB(O)/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL561852,5.02
+OB(O)CCc1ccccc1,CHEMBL20461,4.94
+OB(O)/C=C/Cc1ccccc1,CHEMBL539140,5.07
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,7.5
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,7.53
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL573127,7.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1,CHEMBL574246,6.79
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1,CHEMBL573335,7.11
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1,CHEMBL584387,7.08
+NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1,CHEMBL574779,7.22
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1,CHEMBL583171,7.17
+NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1,CHEMBL574780,7.14
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,CHEMBL574783,7.12
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1,CHEMBL573859,7.22
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1,CHEMBL575660,7.17
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1,CHEMBL583971,7.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1,CHEMBL574021,6.58
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1,CHEMBL582965,7.12
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1,CHEMBL574245,7.15
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1,CHEMBL573381,7.14
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1,CHEMBL582841,7.2
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL568705,5.34
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL579226,5.385
+COC(=O)[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL584312,5.36
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573459,5.33
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573460,5.39
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL569170,5.41
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL569412,5.42
+NS(=O)(=O)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL583958,5.43
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL570125,5.4
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL569168,5.38
+COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C,CHEMBL572366,7.108
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,6.44
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,4.35
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,7.0
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,4.91
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,7.18
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,5.04
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,7.23
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,5.17
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.03
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,5.43
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,4.5
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,4.57
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,4.43
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,4.64
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,4.5
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.23
+O=c1ccc2ccccc2o1,CHEMBL6466,5.51
+CCN(C(=O)CCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL568854,5.53
+CCN(C(=O)c1ccc(CO[N+](=O)[O-])cc1)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL570894,6.33
+CCN(C(=O)OCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL584939,6.39
+CCN(C(=O)OCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL585756,6.15
+CCN(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL571337,5.82
+COc1cc(/C=C2\N=C(N)NC2=O)ccc1O,CHEMBL603189,4.98
+CCCCNC(=O)Cc1ccc(O)c(Cl)c1,CHEMBL605189,4.97
+CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1,CHEMBL578932,4.94
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1,CHEMBL606453,6.15
+COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC,CHEMBL589604,4.92
+COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1,CHEMBL589606,4.95
+O=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccc1,CHEMBL601464,5.02
+O=C(Cc1ccc(O)c(Cl)c1)NCc1ccccc1,CHEMBL589354,4.98
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.57
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.38
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.49
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.54
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.62
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.97
+Oc1ccccc1,CHEMBL14060,4.9910000000000005
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090011,7.11
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1088997,7.09
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089372,7.09
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092374,7.06
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089371,7.06
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1090030,7.05
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090010,7.01
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1089329,7.0
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1091806,6.99
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090012,6.99
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1088998,6.97
+COC(=O)[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093054,6.96
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094036,6.96
+COC(=O)[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091781,6.96
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092775,6.92
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1093729,6.92
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092028,5.69
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094037,5.62
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1089370,5.49
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091319,5.46
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093297,5.46
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1091779,5.41
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091780,5.39
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1089015,5.38
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091073,5.33
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092027,5.31
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093298,5.25
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092715,5.17
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091318,5.17
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092714,5.09
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089968,5.92
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090523,6.0
+NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1,CHEMBL1090522,6.03
+NS(=O)(=O)c1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092670,6.12
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1093178,6.29
+C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1090524,6.17
+NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085238,7.64
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085555,7.66
+NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085047,7.57
+NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085048,7.66
+COC(=O)CCCCCNc1ccn(O)c(=O)n1,CHEMBL1085500,4.37
+NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1,CHEMBL1165695,5.05
+Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165822,7.0
+N#Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165062,7.11
+NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1,CHEMBL1165061,5.82
+NNc1ccncc1S(N)(=O)=O,CHEMBL1164967,5.1
+CNNc1ccncc1S(N)(=O)=O,CHEMBL1164878,5.25
+CC1CC=NN1c1ccncc1S(N)(=O)=O,CHEMBL1163382,4.99
+C=CCNc1ccncc1S(N)(=O)=O,CHEMBL1164966,5.05
+NC(=O)CSc1ccncc1S(N)(=O)=O,CHEMBL1163376,5.02
+NS(=O)(=O)c1cnccc1SCc1ccccc1,CHEMBL1164472,5.04
+C#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164486,5.08
+N#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164420,4.93
+CSc1ccncc1S(N)(=O)=O,CHEMBL1165117,5.04
+NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,CHEMBL1164504,4.95
+NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1,CHEMBL1163951,5.05
+NS(=O)(=O)c1cnccc1Sc1nnns1,CHEMBL1165005,5.18
+Cn1nnnc1Sc1ccncc1S(N)(=O)=O,CHEMBL1165072,5.19
+NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-],CHEMBL1165118,5.12
+Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1,CHEMBL1165071,4.99
+NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,CHEMBL1165726,4.99
+NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1,CHEMBL1163599,5.04
+N#Cc1ccc(Oc2ccncc2S(N)(=O)=O)cc1,CHEMBL1164572,5.18
+CCOc1ccncc1S(N)(=O)=O,CHEMBL1165319,5.21
+COc1ccncc1S(N)(=O)=O,CHEMBL1165321,5.13
+Cc1ccc(S(=O)(=O)n2cccc2)cc1,CHEMBL508732,4.43
+Cc1ccc(S(=O)(=O)N2CC=CC2=O)cc1,CHEMBL1163131,4.64
+Cc1ccc(S(=O)(=O)N2C(=O)C=CC2O)cc1,CHEMBL1163554,6.29
+CC(=O)OC1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1,CHEMBL1164744,6.14
+COc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL477822,7.14
+COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)cc(=O)oc2c1,CHEMBL492022,7.03
+COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL514556,6.88
+COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL478669,7.04
+COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL489182,6.92
+O=c1ccc2ccc(O)cc2o1,CHEMBL51628,4.23
+O=c1cc(O)c2ccccc2o1,CHEMBL301141,4.02
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,6.455
+NCCCCCCN,CHEMBL303004,4.9
+NCCCCCN,CHEMBL119296,4.88
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,4.91
+NCCNCCNCCN,CHEMBL609,4.0
+NCCCCNCCCN,CHEMBL19612,5.85
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,5.66
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.72
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,5.62
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,5.62
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,5.83
+O=C(O)/C=C/c1ccccc1O,CHEMBL52564,5.497000000000001
+COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1241532,4.92
+NS(=O)(=O)c1cn(-c2ncnc3nc[nH]c23)ccc1=O,CHEMBL1240620,5.74
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])c3nonc23)ccc1=O,CHEMBL1242891,5.38
+NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1242890,5.15
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O,CHEMBL1242889,5.21
+NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O,CHEMBL1242794,4.85
+NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL1242793,5.96
+NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL1242792,5.96
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O,CHEMBL1242706,5.93
+NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O,CHEMBL1242705,5.93
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL1242704,5.95
+NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240574,5.23
+NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O,CHEMBL1240573,5.39
+Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240572,5.46
+Nc1nc(N)c2nc(CNc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254767,5.94
+Nc1nc(N)c2nc(CNc3ccc(S(=O)(=O)O)cc3)cnc2n1,CHEMBL1254855,5.66
+Nc1nc(N)c2nc(CNCCc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254856,4.56
+Nc1nc(N)c2nc(CNCCc3ccc(S(=O)(=O)O)cc3)cnc2n1,CHEMBL1254938,5.09
+Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3)cnc2n1,CHEMBL1254939,5.45
+Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccc(S(=O)(=O)O)cc4)cc3)cnc2n1,CHEMBL1255023,4.44
+CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1255024,5.89
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270137,5.77
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270138,5.84
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270242,5.67
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270243,6.11
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270340,5.67
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270341,6.11
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270437,6.37
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270531,5.23
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270532,6.32
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270632,5.6
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270733,5.76
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270836,5.27
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270938,5.84
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270939,5.76
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271040,5.66
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271041,5.15
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271145,5.17
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271249,5.23
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269034,5.35
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271456,5.26
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269924,5.21
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270032,5.41
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(/N=N/c3c(O)ccc4ccccc34)c2)c1-c1ccccc1,CHEMBL1276015,5.83
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(/N=N/c3ccc(O)cc3)c2)c1-c1ccccc1,CHEMBL1276016,5.79
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(I)c2)c1-c1ccccc1,CHEMBL1276394,7.05
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(NN=C(C(C)=O)C(C)=O)c2)c1-c1ccccc1,CHEMBL1276017,6.6
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N/N=C(\C(C)=O)C(=O)c3ccccc3)c2)c1-c1ccccc1,CHEMBL1276018,6.34
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(NN=C(C(=O)c3ccccc3)C(=O)c3ccccc3)c2)c1-c1ccccc1,CHEMBL1276019,6.13
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL1276020,5.23
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(C)=O,CHEMBL1276021,6.7
+CCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL1276022,6.57
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N/N=C(/C(C)=O)C(=O)OC(C)(C)C)c2)c1-c1ccccc1,CHEMBL1276023,6.96
+CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc3c2cc(C)n3CC(C)=O)c1-c1ccccc1,CHEMBL1276024,6.42
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.17
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,5.97
+COc1ccccc1OC,CHEMBL1668603,4.98
+COc1ccc(OC)cc1,CHEMBL1668604,5.09
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,5.22
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,6.26
+O=C(O)c1cccc(O)c1,CHEMBL65369,5.63
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,5.01
+C[C@@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1672445,6.29
+CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683466,5.91
+CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683467,5.5
+CC1(C)C2CC[C@]1(CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683468,6.04
+CC1(C)C2CC[C@@]1(CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683469,5.98
+CC1(C)C2CC[C@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683470,5.3
+CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)C2,CHEMBL1683471,5.26
+CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2,CHEMBL1683472,5.01
+CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)C2,CHEMBL1683473,7.09
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C,CHEMBL1683474,5.28
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C,CHEMBL1683475,5.36
+NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL1643289,7.04
+NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1,CHEMBL1643290,7.08
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CHEMBL1615281,5.29
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL1446150,5.67
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL1643291,5.83
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL1643292,5.26
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL1337519,8.01
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL1643293,5.43
+COc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643294,7.04
+CC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643295,6.41
+CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1615280,8.05
+CC(C)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643296,5.36
+CCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643297,5.26
+CCCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643298,7.95
+CCCCCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643299,6.27
+N#Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643300,7.24
+N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643301,7.96
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL1643302,6.22
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL1643303,5.93
+NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL1614844,7.63
+COc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1,CHEMBL1643304,7.05
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CHEMBL1643305,5.77
+NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1,CHEMBL1615215,6.33
+Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1643306,5.19
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1,CHEMBL1643307,8.01
+NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,CHEMBL435,6.48
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1688317,5.92
+NS(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688316,5.06
+NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688315,5.22
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1688314,5.35
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688313,5.93
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688312,5.25
+CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688311,4.9
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1688310,6.01
+CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COS(N)(=O)=O,CHEMBL1688309,6.07
+CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL1688308,5.25
+CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL1688307,5.47
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688306,5.34
+CCCCC(=O)O,CHEMBL509357,4.26
+CC(C)CCC(=O)O,CHEMBL1762644,4.01
+CCCCCC(C)C(=O)O,CHEMBL1762648,4.04
+O=C(O)c1c(F)c(F)cc(F)c1F,CHEMBL368444,4.13
+O=C(O)c1ccc(F)cc1,CHEMBL1762651,5.13
+O=C(O)c1ccc(Cl)cc1,CHEMBL1762652,5.12
+O=C(O)c1ccc(Br)cc1,CHEMBL1762653,5.1
+O=C(O)c1ccc(I)cc1,CHEMBL1762654,5.09
+O=C(O)c1ccc([N+](=O)[O-])cc1,CHEMBL1762655,5.06
+COc1ccc(C(=O)O)cc1,CHEMBL1762657,5.04
+Nc1ccc(C(=O)O)cc1,CHEMBL1762658,5.08
+Nc1cccc(C(=O)O)c1,CHEMBL1762659,5.06
+N#Cc1ccc(C(=O)O)cc1,CHEMBL1762660,5.16
+CC(=O)Nc1ccc(C(=O)O)cc1,CHEMBL1762661,5.39
+O=C(O)c1ccc(CCl)cc1,CHEMBL1762662,5.41
+CN(C)c1ccc(C(=O)O)cc1,CHEMBL1762663,5.4
+O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,CHEMBL1762664,5.41
+CCCCC(CC)C(=O)OC,CHEMBL1762665,5.36
+CCCCC(CC)C(=O)NO,CHEMBL1762666,5.32
+CCCCC(CC)C(=O)NN,CHEMBL1762667,5.07
+CCCCC(CC)C(N)=O,CHEMBL1081233,5.19
+COC(=O)c1ccc(OC)cc1,CHEMBL1762668,5.42
+COc1ccc(C(=O)NO)cc1,CHEMBL1762669,6.32
+COc1ccc(C(=O)NN)cc1,CHEMBL1588015,5.11
+COc1ccc(C(N)=O)cc1,CHEMBL449635,5.36
+NS(=O)(=O)c1ccc(C(=O)OCCCCO[N+](=O)[O-])cc1,CHEMBL1778431,6.72
+NS(=O)(=O)c1ccc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)cc1,CHEMBL1778432,6.62
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL1778433,7.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCCCO[N+](=O)[O-])c2)s1,CHEMBL1738778,7.4
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL1778434,6.86
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCCCO[N+](=O)[O-])cc2)s1,CHEMBL1778435,7.49
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778436,7.37
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1778437,6.4
+NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1,CHEMBL1777820,6.23
+NS(=O)(=O)c1ccc(OCCCCO[N+](=O)[O-])cc1,CHEMBL1778438,7.39
+NS(=O)(=O)c1ccc(OCCCCCO[N+](=O)[O-])cc1,CHEMBL1778439,6.02
+CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083756,5.38
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1085092,5.61
+CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085095,5.77
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1084064,5.73
+CCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1083382,7.0
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)CC,CHEMBL1084702,5.37
+CCC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083684,6.13
+CCC(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085033,8.03
+CCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085034,8.01
+CCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL73460,7.09
+CCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085467,5.64
+CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1084856,5.44
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1085093,5.52
+CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085094,5.68
+CCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1084063,5.81
+CCC(C)C(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083381,5.6
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1083383,5.42
+CC(C)(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1084951,6.47
+CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1082898,6.39
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1797783,7.04
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL1797784,5.41
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797785,7.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797786,7.03
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL1797787,5.19
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL1797788,5.44
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL1797789,5.2
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797790,8.29
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797791,8.17
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1797792,8.49
+Oc1cccc(O)c1O,CHEMBL307145,5.13
+O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,CHEMBL506247,4.12
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807496,5.43
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807497,5.06
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807498,5.01
+CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1NS(N)(=O)=O,CHEMBL1807499,5.02
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1807500,4.12
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1807501,4.18
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CHEMBL1807502,4.04
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807504,6.23
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807505,6.23
+NS(=O)(=O)c1ccc(Nc2nc(NCC(=O)O)nc(NCC(=O)O)n2)cc1,CHEMBL1813206,5.34
+COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813207,6.3
+COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1738792,5.51
+NS(=O)(=O)c1ccc(Nc2nc(NCCC(=O)O)nc(NCCC(=O)O)n2)cc1,CHEMBL1813208,6.17
+CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O,CHEMBL1813209,5.88
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813210,6.96
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1,CHEMBL1738787,5.96
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1,CHEMBL1813211,5.9
+CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813212,5.46
+COC(=O)CNc1nc(NCC(=O)OC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813213,6.22
+CC(Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813214,5.78
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL1813215,5.63
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813216,5.52
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813217,5.81
+CC(Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813218,5.69
+NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813219,5.43
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,8.15
+COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,CHEMBL1817672,7.05
+NS(=O)(=O)c1cnccc1-n1ccccc1=O,CHEMBL1817907,5.27
+COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O,CHEMBL1817906,5.61
+NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1,CHEMBL1817905,5.21
+CN(C)c1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817904,5.54
+Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817903,5.34
+Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O,CHEMBL1817902,5.26
+NS(=O)(=O)c1cnccc1-[n+]1ccccc1,CHEMBL1817901,5.12
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,6.29
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,6.51
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,6.15
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,6.16
+NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1,CHEMBL1836399,5.25
+Cc1ccc(C#Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1836400,5.25
+COc1cccc(C#Cc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1836401,7.11
+NS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1,CHEMBL1836402,7.06
+NS(=O)(=O)c1ccc(C#Cc2cccc(F)c2)cc1,CHEMBL1836403,7.21
+NS(=O)(=O)c1cccc(C#Cc2ccccc2)c1,CHEMBL1836404,7.23
+Cc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL1836405,6.99
+COc1cccc(C#Cc2cccc(S(N)(=O)=O)c2)c1,CHEMBL1836406,7.12
+NS(=O)(=O)c1cccc(C#Cc2cccc(F)c2)c1,CHEMBL1836407,7.11
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836634,5.16
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1834000,6.98
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL1836633,6.2
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836632,6.85
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836631,5.43
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836630,5.41
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836624,6.92
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836629,6.92
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836628,6.74
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836627,7.0
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836626,5.39
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836625,6.99
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836623,6.94
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836622,6.95
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccccc1,CHEMBL1923674,5.22
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Br)cc1,CHEMBL1923675,5.32
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Cl)cc1,CHEMBL1923676,7.0
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C#N)cc1,CHEMBL1923677,6.0
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(F)cc1,CHEMBL1923678,5.29
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C)cc1,CHEMBL1923679,6.02
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc([N+](=O)[O-])c1,CHEMBL1923680,5.45
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc([N+](=O)[O-])cc1,CHEMBL1923681,5.28
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc(N)c1,CHEMBL1923682,5.32
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(N)cc1,CHEMBL1923683,5.32
+O=C1C=CCCO1,CHEMBL55078,5.1
+O=c1cccco1,CHEMBL1934663,5.1
+Cc1cc(C)oc(=O)c1,CHEMBL372284,4.72
+O=C1CCCCO1,CHEMBL452383,5.02
+CC1CCC(=O)O1,CHEMBL195593,5.33
+O=C1C=CCO1,CHEMBL166223,4.87
+COC1=CC(=O)OC1,CHEMBL370888,4.16
+S=c1cccco1,CHEMBL1934664,5.61
+Cc1cc(C)oc(=S)c1,CHEMBL1934665,5.12
+O=C(O)/C=C/CCO,CHEMBL1934666,5.07
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1441570,6.0
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1393422,6.23
+Cc1cc(=O)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938471,5.47
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938472,6.06
+COc1cc2oc(=O)ccc2cc1C(O)CC(C)C,CHEMBL1938473,7.11
+Oc1c(Br)cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1O,CHEMBL464987,4.46
+Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br,CHEMBL374829,4.45
+O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br,CHEMBL490356,5.78
+COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC,CHEMBL1946085,4.88
+COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC,CHEMBL1946086,4.89
+COc1cc(CC2CCCCC2=O)cc(Br)c1OC,CHEMBL1946087,4.98
+COc1cc(CC2CCCCC2O)cc(Br)c1OC,CHEMBL1946088,5.98
+COc1cc(CC2CCCC[C@@H]2O)cc(Br)c1OC,CHEMBL2092896,5.99
+COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC,CHEMBL1946177,5.95
+COc1cc(CC2CCCC[C@@H]2O)c(Br)c(Br)c1OC,CHEMBL2092897,5.96
+COc1cc(CC2CCCCC2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC,CHEMBL1946178,5.61
+CC1CCCCC1O,CHEMBL1946181,5.12
+CCCC1CCCCC1O,CHEMBL1946182,5.12
+CC1CCCCC1=O,CHEMBL1946183,5.06
+NS(=O)(=O)c1ccccc1Br,CHEMBL1946184,4.84
+c1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL596060,4.83
+COc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL607813,4.92
+COc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL610455,4.9
+COc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL593276,4.87
+COc1ccc2c(c1OC)Cc1c-2[nH]c2ccccc12,CHEMBL607824,4.91
+COc1ccc(OC)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL594224,4.85
+COc1cc2c(cc1OC)-c1[nH]c3ccccc3c1C2,CHEMBL611502,4.88
+COc1cc2c(c(OC)c1)-c1[nH]c3ccccc3c1C2,CHEMBL593037,4.88
+c1ccc2c3c([nH]c2c1)-c1cc2c(cc1C3)OCO2,CHEMBL608978,4.79
+Fc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593759,4.86
+Clc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL595861,4.85
+Brc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593667,4.88
+Oc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL610454,5.67
+Oc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593972,5.49
+Oc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL611504,5.48
+Oc1cccc2c1-c1[nH]c3ccccc3c1C2,CHEMBL596276,5.46
+Oc1ccc2c(c1O)Cc1c-2[nH]c2ccccc12,CHEMBL596277,5.61
+Oc1ccc(O)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL593507,5.6
+Oc1cc2c(cc1O)-c1[nH]c3ccccc3c1C2,CHEMBL594918,5.59
+Oc1cc(O)c2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL607823,5.61
+c1ccc2[nH]ccc2c1,CHEMBL15844,4.56
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,5.21
+OC(=S)c1ccccc1,CHEMBL1955873,4.97
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,4.21
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,8.05
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,8.05
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956743,5.31
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956744,7.0
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956745,5.26
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956746,5.42
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956747,5.17
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956748,5.2
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956749,7.0
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956750,5.19
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956751,5.22
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956752,5.34
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956753,5.43
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956754,5.53
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956755,7.0
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956756,6.96
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956757,5.42
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956758,5.23
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956759,5.11
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956760,5.12
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956761,8.05
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956762,5.1
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956763,5.16
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956764,5.19
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956765,5.24
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956766,5.39
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956767,5.1
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956768,5.2
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956769,5.37
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956770,5.32
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956771,5.1
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956772,5.39
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956773,7.0
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956774,6.96
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1,CHEMBL1957175,5.06
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1,CHEMBL1957176,5.12
+Oc1ccc2oc(=S)ccc2c1,CHEMBL1957177,5.14
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1,CHEMBL1957178,5.08
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1,CHEMBL1957179,5.09
+Oc1ccc2ccc(=S)oc2c1,CHEMBL1955879,5.1
+C=CCOc1ccc2oc(=O)ccc2c1,CHEMBL1957172,4.52
+C=CCOc1ccc2ccc(=O)oc2c1,CHEMBL432745,4.14
+C=CCOc1cc(=O)oc2ccccc12,CHEMBL1957180,4.36
+C=CCOc1ccc2oc(=S)ccc2c1,CHEMBL1957181,5.07
+C=CCOc1ccc2ccc(=S)oc2c1,CHEMBL1957182,5.12
+C=CCOc1cc(=S)oc2ccccc12,CHEMBL1957183,5.03
+O=c1ccc2ccc(OCCO)cc2o1,CHEMBL1957184,4.61
+Cc1ccc(S(=O)(=O)OCCOc2ccc3ccc(=O)oc3c2)cc1,CHEMBL1957185,4.18
+O=c1ccc2ccc(OCCF)cc2o1,CHEMBL1957186,4.37
+CC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL1951641,4.32
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1,CHEMBL1957187,4.41
+Cc1cc(=O)oc2cc(NC(=O)OC(C)(C)C)ccc12,CHEMBL1957188,4.04
+Cc1cc(=O)oc2cc(N)ccc12,CHEMBL270672,5.25
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.9
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.65
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.725
+O=c1c(O)c(-c2ccccc2)oc2ccccc12,CHEMBL294009,5.285
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.465
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.66
+S=C(S)Nc1ccccc1,CHEMBL2023162,8.32
+S=C(S)NN1CCOCC1,CHEMBL2023163,8.32
+CN1CCN(NC(=S)S)CC1,CHEMBL2023164,7.47
+CCC(C)NC(=S)S,CHEMBL2023165,7.68
+S=C(S)NCCN1CCOCC1,CHEMBL2023166,7.5
+S=C(S)NCCN(CCNC(=S)S)CCNC(=S)S,CHEMBL2023167,7.5
+S=C(S)NCc1ccccc1,CHEMBL2023168,8.39
+S=C(S)NCc1ccncc1,CHEMBL2023169,8.46
+S=C(S)NCCN1CCCCC1,CHEMBL2023170,8.35
+S=C(S)Nc1nccs1,CHEMBL2023171,8.41
+O=C(O)CNC(=S)S,CHEMBL2023172,7.88
+S=C(S)NCCCn1ccnc1,CHEMBL2023718,8.07
+CN(C)C(=S)S,CHEMBL569460,6.16
+S=C(S)N1CCCC1,CHEMBL2021946,9.02
+CC(C)CN(CC(C)C)C(=S)S,CHEMBL2023719,9.01
+CCCN(CCC)C(=S)S,CHEMBL2023720,5.74
+CCCCN(CCCC)C(=S)S,CHEMBL2023721,7.37
+CCCCCCN(CCCCCC)C(=S)S,CHEMBL2023722,7.32
+CCCCN(CC)C(=S)S,CHEMBL2023723,6.8
+OCCN(CCO)C(=S)S,CHEMBL2023724,8.04
+CN(C(=S)S)c1ccccc1,CHEMBL2023725,7.4
+CN(Cc1ccccc1)C(=S)S,CHEMBL2023726,7.16
+S=C(S)N1CCOCC1,CHEMBL2023727,9.06
+S=C(S)N1CCN(C(=S)S)CC1,CHEMBL2023728,7.9
+N#CC1(c2ccccc2)CCN(C(=S)S)CC1,CHEMBL2023729,7.32
+O=C(O)[C@@H]1CCCN1C(=S)S,CHEMBL2023730,8.6
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2042371,4.21
+COc1cc(OC)c(Cc2cc(OC)c(OC)c(Br)c2Br)c(OC)c1Br,CHEMBL2042370,4.24
+Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O,CHEMBL477748,4.91
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Cc3cc(OC)c(OC)c(Br)c3Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2040866,4.03
+Oc1c(O)c(Br)c(Br)c(Br)c1Br,CHEMBL506166,4.49
+Oc1c(Br)cc(Br)c(Br)c1O,CHEMBL2042369,4.6
+Oc1ccc(Cc2ccc(O)c(O)c2)cc1O,CHEMBL253691,4.74
+COc1c(Br)cc(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2042368,4.38
+COc1c(Br)c(Br)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2016670,4.36
+COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2048917,8.06
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2,CHEMBL2048918,5.52
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)NCC2,CHEMBL2048919,6.04
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)N(S(N)(=O)=O)CC2,CHEMBL2048920,5.81
+COc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048921,6.32
+CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048922,6.29
+CCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048923,7.3
+NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1,CHEMBL2048924,7.61
+COc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048925,6.17
+CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048926,5.98
+CCCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048927,7.08
+NS(=O)(=O)c1ccc(C2=NCCc3cc(O)ccc32)cc1,CHEMBL2048928,8.29
+COc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048929,8.04
+CCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048930,6.18
+CCCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048931,7.14
+NS(=O)(=O)c1ccc(C2NCCc3cc(O)ccc32)cc1,CHEMBL2048932,7.61
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048933,5.92
+CCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048934,5.38
+CCCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048935,8.17
+NS(=O)(=O)c1ccc(C2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1,CHEMBL2048936,8.17
+NS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2047816,4.37
+O=C(O)/C(O)=C/C(=O)c1ccccc1,CHEMBL467389,5.47
+O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL499273,5.29
+COC(=O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL2070203,5.26
+O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccccc2)c2ccccc12,CHEMBL1673089,5.56
+O=C(O)/C(O)=C(\O)C(=O)O,CHEMBL41028,5.36
+CC(=O)c1c(C(=O)O)n(C)c2cc3c(cc12)OCO3,CHEMBL2070204,5.12
+COc1ccccc1C(=O)CC(=O)/C=C(\O)C(=O)O,CHEMBL2070205,5.4
+COC(=O)/C(O)=C/C(=O)CC(=O)c1ccccc1OC,CHEMBL2070206,5.92
+CCn1cc(-c2cc(C(=O)O)[nH]n2)c2ccccc21,CHEMBL2070207,7.38
+O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070208,5.21
+COC(=O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070209,5.78
+O=C(O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070210,4.42
+COC(=O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070211,5.98
+COC(=O)/C(O)=C1/C(=O)N(c2ccccc2)c2ccccc21,CHEMBL2070212,7.31
+CCn1cc(C2=C(O)C(=O)NC2=O)c2ccccc21,CHEMBL2070213,5.12
+O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070202,5.44
+O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070214,5.73
+O=C(O)c1ccccc1Nc1ccccc1,CHEMBL23832,5.92
+NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL2148104,5.21
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164738,6.42
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164737,6.56
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL2164736,6.555
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2164735,6.265
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164734,7.245
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164733,6.76
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164732,6.11
+NS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164731,7.1
+NS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164730,5.805
+NS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2164729,5.865
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,6.81
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,6.71
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,6.5
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,6.67
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,7.19
+NS(=O)(=O)c1cn(CC(=O)NNC(=O)c2ccco2)ccc1=O,CHEMBL2203350,6.24
+Cc1ccc(S(=O)(=O)NNC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203349,6.65
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL2203348,6.23
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL2203347,5.51
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1=O,CHEMBL2203346,6.63
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203345,5.8
+COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203344,5.61
+NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL2203372,5.39
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O,CHEMBL2203371,5.73
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)ccc1=O,CHEMBL2203356,5.8
+Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203355,5.49
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1=O,CHEMBL2203354,5.34
+Cc1ccc(-n2c(Cn3ccc(=O)c(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1,CHEMBL2203353,5.32
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1=O,CHEMBL2203352,5.36
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)C(C)(C)C1,CHEMBL2203351,6.11
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)CC1,CHEMBL2208446,6.11
+Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1,CHEMBL2203339,6.05
+CCN(c1ccccc1)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208445,5.43
+CN(C)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208444,5.49
+Cc1noc(C)c1Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208443,5.44
+NS(=O)(=O)c1cn(CC2CC2)ccc1=O,CHEMBL2208442,5.6
+CCOC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208441,5.72
+N#CCCCn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208440,5.32
+NS(=O)(=O)c1cn(CCO)ccc1=O,CHEMBL2208439,5.39
+[C-]#[N+][O-],CHEMBL2207071,6.15
+N#Cc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1,CHEMBL2314160,6.09
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(/N=N/c4ccc(O)cc4)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314159,5.97
+CC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)OC(C)(C)C,CHEMBL2314158,6.42
+COC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)C(C)C,CHEMBL2314157,6.31
+CCCC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)OCC,CHEMBL2314156,6.31
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(C)=O,CHEMBL2314155,5.89
+CCOC(=O)/C(=N/Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL2314154,6.94
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(NN=C(C(=O)c4ccccc4)C(=O)c4ccccc4)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314152,6.66
+CC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(C)=O,CHEMBL2314151,6.35
+NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3cccc(/N=N/c4c(O)ccc5ccccc45)c3)c(-c3ccccc3)c2C(=O)O)cc1,CHEMBL2314162,6.5
+CCOC(=O)c1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1,CHEMBL2314161,6.99
+CC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)c1ccccc1,CHEMBL2314153,7.21
+N=C(N)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2323125,6.62
+N=C(N)Nc1ccc(C(=O)O)cc1,CHEMBL20767,6.2
+N=C(N)Nc1ccc(O)cc1,CHEMBL2323124,5.08
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2CO)cc1,CHEMBL2324864,7.197
+NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL2324869,5.167000000000001
+COc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL2326522,5.13
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc2O1,CHEMBL2326521,5.17
+COc1ccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)cc1,CHEMBL2326520,5.05
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)ccc2O1,CHEMBL2326519,5.07
+CCN(CC)Cc1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326518,5.09
+O=S1(=O)C=Cc2cc(-n3cc(CO)nn3)ccc2O1,CHEMBL2326517,5.14
+C[Si](C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326516,5.22
+CCOC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326515,5.05
+COC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326514,5.09
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccccc4)nn3)ccc2O1,CHEMBL2326513,5.16
+Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326511,5.17
+O=[N+]([O-])c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2321923,4.04
+O=S1(=O)C=Cc2cc(OCc3ccccc3)ccc2O1,CHEMBL2326508,4.03
+COS(=O)(=O)c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326507,4.0
+O=S1(=O)C=Cc2cc(O)ccc2O1,CHEMBL2326506,4.04
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.2
+Nc1cccc(O)c1,CHEMBL269755,5.31
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,5.32
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.27
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.49
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.11
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.04
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.16
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.11
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.08
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.19
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.15
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.14
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.17
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.17
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.24
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.01
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.15
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,6.09
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,5.38
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.41
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.2
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.08
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,5.28
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,5.14
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.1
+COC(=O)c1ccc(O)cc1,CHEMBL325372,5.59
+C=C(Cl)CN(CC(=C)Cl)S(=O)(=O)c1ccc(N)cc1,CHEMBL2333977,5.17
+C=C(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333976,5.25
+Nc1ccc(S(=O)(=O)NCCC(F)F)cc1,CHEMBL2333975,5.37
+Nc1ccc(S(=O)(=O)NCCC(F)Cl)cc1,CHEMBL2333974,5.17
+CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333973,6.82
+CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333972,5.29
+CC(=O)Nc1ccc(S(=O)(=O)NCC(C)F)cc1,CHEMBL2333971,5.32
+CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333970,6.76
+C=C(C)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333969,5.15
+CCCNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333968,5.29
+CC1CN(C)S(=O)(=O)c2ccc(N)cc21,CHEMBL2333967,6.2
+CC(F)CNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333966,6.76
+NS(=O)(=O)c1ccc2c(c1)CCCN2,CHEMBL2333965,6.72
+C=CCNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333964,5.68
+Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CHEMBL182659,6.38
+CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL1995684,4.23
+COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34,CHEMBL2334354,4.36
+COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O,CHEMBL2334356,4.4
+COc1c(O)ccc2ccc(=O)oc12,CHEMBL2331585,4.44
+CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,CHEMBL303846,4.67
+COc1cc2oc(=O)ccc2cc1O,CHEMBL390320,4.85
+COc1cc2ccc(=O)oc2cc1O,CHEMBL71851,4.98
+COc1cc2ccc(=O)oc2c(O)c1OC,CHEMBL2334351,5.0
+C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL56918,5.01
+CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O,CHEMBL7121,5.03
+COc1c2c(c(OC)c3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL2334350,5.04
+COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C,CHEMBL1098016,5.04
+COc1c2c(c3ccc(=O)oc3c1/C=C/C(C)(C)O)OC(C)(C)C=C2,CHEMBL258230,5.07
+C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O,CHEMBL2003049,5.11
+COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL501358,5.11
+C=C(C)/C=C/c1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2,CHEMBL2334004,5.12
+C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO,CHEMBL2334353,5.12
+COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(OS(=O)(=O)O)c(OC)cc2-3)cc1O,CHEMBL2334357,5.18
+COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)cc1O,CHEMBL2334355,5.19
+COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL225024,5.23
+C=C(C)C(COC(=O)c1cccnc1)c1c(OC)ccc2ccc(=O)oc12,CHEMBL2334352,5.23
+COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2,CHEMBL479462,5.25
+COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,CHEMBL293864,5.3
+COc1cc2ccc(=O)oc2c(O)c1O,CHEMBL54909,5.31
+COc1cc(OC)c2ccc(=O)oc2c1OC,CHEMBL596221,5.37
+COc1cc2ccc(=O)oc2c(OC)c1OC,CHEMBL253551,8.01
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.26
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.44
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.43
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.17
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.03
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.29
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.24
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.07
+N#Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272457,5.12
+Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272458,5.1
+C/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O,CHEMBL479638,5.16
+C/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O,CHEMBL479836,5.12
+COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1F,CHEMBL449451,5.16
+O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL475278,5.04
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl,CHEMBL1782957,5.4
+O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl,CHEMBL1782958,5.14
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCCC4)cc2)CCCCC1,CHEMBL2335178,4.38
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)CCCC1,CHEMBL2335177,4.41
+c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCC4)cc2)CCC1,CHEMBL2335176,4.37
+COc1ccc2cc(-c3cc(CO)nn3-c3cccc(S(N)(=O)=O)c3)ccc2c1,CHEMBL2336618,5.67
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)c1,CHEMBL2336617,5.92
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1,CHEMBL2336616,5.14
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1,CHEMBL2336615,6.66
+NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2CO)cc1,CHEMBL2336614,5.76
+COc1ccc2cc(-c3nn(-c4ccc(S(N)(=O)=O)cc4)cc3CO)ccc2c1,CHEMBL2336613,5.68
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccc4ccccc4c3)n2)cc1,CHEMBL2336612,5.56
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1,CHEMBL2336630,6.87
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL2331608,7.11
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1Br,CHEMBL2336628,5.69
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1,CHEMBL2336627,5.56
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)cc1,CHEMBL2336626,5.49
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1,CHEMBL2336625,5.23
+COc1ccccc1-c1cc(CO)nn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL2336624,5.93
+COc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2336623,5.77
+COc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336622,5.75
+N#Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336621,5.58
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1,CHEMBL2336620,4.72
+Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336619,5.82
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1,CHEMBL2336632,7.06
+NS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1,CHEMBL2336631,6.45
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1,CHEMBL2336633,5.4
+CC(=O)C1=NN(c2ccccc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL2337539,6.94
+N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=S)Nc1ccccc1,CHEMBL2337538,7.17
+N#C/C(=N\Nc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337537,7.47
+N=c1oc2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337536,7.48
+N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337535,7.61
+N#C/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337534,8.28
+N#C/C(=C\c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1347917,8.21
+N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337533,7.73
+CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337532,7.33
+N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337531,7.23
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337530,7.28
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O,CHEMBL2337529,7.48
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2337528,7.5
+COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1,CHEMBL2337134,7.59
+COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337133,7.37
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL2337132,7.41
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337544,7.4
+COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1594453,7.15
+N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337543,7.4
+N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337542,7.33
+N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337541,7.38
+N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337540,7.28
+NS(=O)(=O)NC1Cc2ccccc2C1,CHEMBL2333822,5.81
+COc1cc2c(cc1OC)CC(NS(N)(=O)=O)C2,CHEMBL2333821,4.99
+NS(=O)(=O)NC1CCc2ccccc2C1,CHEMBL2333820,5.08
+COc1cccc2c1CCCC2NS(N)(=O)=O,CHEMBL2333819,5.17
+NS(=O)(=O)NC1CCc2ccccc21,CHEMBL2333818,6.35
+COc1cc2c(cc1OC)C(NS(N)(=O)=O)CC2,CHEMBL2333817,5.03
+Cc1cc(Cl)ccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331760,8.99
+NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1,CHEMBL2331759,8.99
+COc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331758,9.01
+CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12,CHEMBL2331757,9.11
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1,CHEMBL2331756,9.09
+CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331755,9.15
+COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331769,9.0
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL2331768,9.21
+COc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c(C)c1,CHEMBL2331767,8.97
+Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331766,9.15
+NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2331765,8.91
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL2331764,8.98
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL2331763,8.87
+CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1,CHEMBL2331762,8.84
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL2331761,8.91
+NS(=O)(=O)c1ccc(CCN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2331569,8.14
+NS(=O)(=O)c1ccc(CN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332768,7.58
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c(Cl)c1,CHEMBL2332769,7.45
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332770,7.31
+NS(=O)(=O)c1cccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c1,CHEMBL2332771,7.51
+NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O,CHEMBL2332772,7.29
+COC(=O)CCNS(=O)(=O)Oc1ccccc1O,CHEMBL466083,4.05
+CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC,CHEMBL511132,4.21
+CCCN(CCC)S(=O)(=O)N(CCC)CCC,CHEMBL441884,5.03
+O=S(=O)(NC1CCCCC1)NC1CCCCC1,CHEMBL388325,5.18
+CCCNS(=O)(=O)NCCC,CHEMBL229740,5.33
+CCCCNS(=O)(=O)NCCCC,CHEMBL229137,5.18
+CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL375030,5.16
+CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1,CHEMBL229904,5.05
+CCCN(CCC)S(N)(=O)=O,CHEMBL229954,4.6
+CCCC(CCC)COS(N)(=O)=O,CHEMBL2335233,5.53
+CCCCCCOS(N)(=O)=O,CHEMBL2335232,5.44
+N#CNC(=S)S,CHEMBL2380755,6.27
+S=C(S)SCc1ccccc1,CHEMBL2380754,7.13
+S=C(S)OC1CC2CC1C1CCCC21,CHEMBL404954,7.2
+S=C(S)OCCC12CC3CC(CC(C3)C1)C2,CHEMBL2380753,7.23
+S=C(S)OCC12CC3CC(CC(C3)C1)C2,CHEMBL2380752,7.09
+S=C(S)OCCc1ccccn1,CHEMBL2380751,7.13
+S=C(S)OCC(c1ccccc1)c1ccccc1,CHEMBL2380750,7.19
+S=C(S)OCc1ccccc1,CHEMBL2380749,7.12
+CC(C)(C)OC(=O)NCCCCCCOC(=S)S,CHEMBL2380748,8.2
+CC(C)(C)OC(=O)NCCCCOC(=S)S,CHEMBL2380747,8.25
+CN(C)CCOCCOC(=S)S,CHEMBL2380746,7.35
+CN(C)CCOC(=S)S,CHEMBL2380745,6.49
+S=C(S)OC1CCCCC1,CHEMBL2380744,6.1
+S=C(S)OC1CCCC1,CHEMBL2380743,6.27
+CCCCCCCCOC(=S)S,CHEMBL2380742,6.45
+CCCCCOC(=S)S,CHEMBL2380741,6.42
+CC(C)CCOC(=S)S,CHEMBL2380740,6.2
+CC(C)OC(=S)S,CHEMBL2380739,6.4
+CCOC(=S)S,CHEMBL2380738,6.22
+COC(=S)S,CHEMBL2380737,6.16
+COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC,CHEMBL2387066,5.74
+COc1cccc(CCNS(N)(=O)=O)c1OC,CHEMBL2387067,6.6
+COc1ccc(CCNS(N)(=O)=O)cc1OC,CHEMBL2387068,6.55
+COc1ccc(CCNS(N)(=O)=O)cc1,CHEMBL2387069,7.21
+COc1ccccc1CCNS(N)(=O)=O,CHEMBL2387070,6.6
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,6.89
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,6.12
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1,CHEMBL2391081,6.42
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2)O1,CHEMBL250638,5.26
+COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2402764,8.54
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1,CHEMBL2402763,8.12
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1,CHEMBL2402762,8.31
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1,CHEMBL2402761,6.65
+COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1518649,8.43
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402760,8.09
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL1898609,8.01
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402759,7.0
+COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402758,8.31
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402757,8.37
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402756,6.96
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402755,6.96
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1,CHEMBL2402754,8.06
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1,CHEMBL2402753,8.19
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1,CHEMBL2402752,6.78
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1,CHEMBL2402777,6.61
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1,CHEMBL2402776,8.07
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1,CHEMBL2402775,8.39
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1,CHEMBL2402774,8.01
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1,CHEMBL2402773,6.6
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1,CHEMBL2402772,6.97
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1,CHEMBL2402771,8.07
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(F)c1,CHEMBL2402770,6.63
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1,CHEMBL2402769,6.98
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402768,6.94
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1,CHEMBL2402767,8.32
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402766,6.46
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402765,6.99
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1,CHEMBL2407713,5.95
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1,CHEMBL2407712,5.9
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Br)cc1,CHEMBL2407711,6.03
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1,CHEMBL2407710,6.13
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Cl)c2)cc1,CHEMBL2407709,6.08
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1,CHEMBL2407708,6.13
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1,CHEMBL2407707,5.91
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1,CHEMBL2407715,5.78
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2F)cc1,CHEMBL2407714,5.98
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2)cc1,CHEMBL2216818,6.95
+N#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F,CHEMBL2414076,5.12
+CS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1,CHEMBL2414075,6.65
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)s1,CHEMBL2414074,6.15
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl,CHEMBL2414073,5.37
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1,CHEMBL2414072,5.61
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1,CHEMBL2414071,5.67
+N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414070,6.54
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1,CHEMBL2414069,5.62
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1,CHEMBL2413089,5.51
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1,CHEMBL2414068,6.12
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414067,6.13
+CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414066,5.6
+Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414065,6.28
+Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414064,5.84
+NS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1,CHEMBL2414077,6.3
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Br)c1,CHEMBL2414443,6.55
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1,CHEMBL2414442,6.82
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(F)c1,CHEMBL2414441,6.43
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1,CHEMBL2414439,6.35
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377796,6.37
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2414438,6.49
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377770,6.48
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL2419991,6.07
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419990,5.36
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4Cl)C4=C3CCCC4=O)cc2)cc1,CHEMBL2419989,5.46
+N#Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL2419988,5.67
+COc1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1O,CHEMBL2419987,6.59
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL2419986,5.03
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419985,5.72
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419984,5.27
+CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419983,5.02
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL2419982,5.02
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1,CHEMBL2419981,5.67
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL2419980,5.08
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL2419979,5.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL2419978,5.21
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL2419977,5.45
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL2419976,5.13
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL2419994,5.8
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL2419993,5.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL2419992,6.8
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,5.89
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Br)c1,CHEMBL2424829,6.84
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Cl)c1,CHEMBL2424828,6.68
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(F)c1,CHEMBL2424827,6.11
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1,CHEMBL2424825,6.47
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424832,6.73
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424831,6.6
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424830,6.36
+CSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436875,6.77
+CCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436874,6.56
+CCOC(=O)CCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436873,6.4
+CCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436872,6.27
+Cc1nn(-c2ccncc2S(N)(=O)=O)c(C)c1C,CHEMBL2436871,6.36
+Cc1cc(C)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436870,6.46
+NS(=O)(=O)c1cnccc1N1CCC(Cc2ccccc2)CC1,CHEMBL2436869,5.87
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL2436868,6.14
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2436867,6.06
+NS(=O)(=O)c1cnccc1N1CCN(c2ncccn2)CC1,CHEMBL2436884,5.9
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1,CHEMBL2436883,5.87
+Cc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1,CHEMBL2436882,5.27
+COc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1,CHEMBL2436881,5.27
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL2436880,5.58
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2F)CC1,CHEMBL2436879,5.36
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1,CHEMBL2436878,5.89
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2436877,5.61
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1,CHEMBL2436876,5.48
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,6.6
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,7.09
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,7.05
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,6.62
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,6.69
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,7.06
+Cc1nccn1CCCNS(N)(=O)=O,CHEMBL3087327,5.06
+NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-],CHEMBL3087324,5.04
+Cc1ncc([N+](=O)[O-])n1CCOS(N)(=O)=O,CHEMBL3085793,5.35
+Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,CHEMBL3087323,5.02
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3087322,7.08
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087321,7.1
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087320,6.32
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3087319,6.98
+NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+](=O)[O-])c1,CHEMBL3087318,7.0
+NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087317,7.1
+NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087316,6.97
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087315,5.49
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092810,5.73
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092811,7.13
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092812,7.08
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092813,5.63
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3092814,5.42
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092815,5.19
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092816,5.49
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092817,5.67
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092818,6.59
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092819,7.1
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092934,5.01
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092935,5.04
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092936,5.53
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092938,5.65
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3092937,5.65
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092939,5.02
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092940,5.02
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092941,5.03
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092942,5.75
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092943,5.69
+C#Cc1cccc(S(N)(=O)=O)c1,CHEMBL1232090,6.07
+NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1,CHEMBL3092995,5.66
+NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,CHEMBL3098848,8.05
+NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1,CHEMBL3098849,8.07
+Cc1nn2c(C)nnc2s/c1=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098529,7.06
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL3098533,5.18
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)/C(=C(\C#N)C(=O)c2ccccc2)S1,CHEMBL3098532,4.48
+CCOC(=O)/C(C#N)=C1\SC(C(C)=O)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3098531,4.56
+CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=C(C#N)C#N)S1,CHEMBL3098135,4.79
+Cc1nn2c(-c3ccccc3)nnc2s/c1=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098530,6.41
+CC(=N\NC(=O)c1cccs1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098528,6.12
+COc1ccc(C(=O)N/N=C(C)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL3098527,6.79
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098526,6.44
+CC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1,CHEMBL3098525,6.89
+CC(=N\NC(=O)c1cccs1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098524,7.04
+COc1ccc(C(=O)N/N=C(C)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)N2CCCCC2)cc1,CHEMBL3098523,6.61
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098522,6.88
+CC(=N\NC(=O)c1ccccc1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1,CHEMBL3098521,6.82
+CC(=N\NC(=O)c1cccs1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098520,6.71
+COc1ccc(C(=O)N/N=C(C)/C(Cl)=N/Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3098519,6.74
+CC(=N\NC(=O)c1ccc(Cl)cc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098535,6.73
+CC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3098534,6.87
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,6.57
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,4.61
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104164,5.34
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104163,5.45
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104162,5.26
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104161,5.19
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104160,5.27
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104159,5.46
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104158,5.19
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104157,5.23
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104156,5.27
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104155,5.61
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104065,5.42
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104064,5.37
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104063,5.35
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104062,5.36
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104061,5.34
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104060,6.01
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104059,5.87
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104058,5.8
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104057,5.62
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104056,5.82
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104055,5.91
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104054,6.47
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104053,6.28
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104052,6.17
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104051,6.07
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104050,6.29
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104049,6.26
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccccc2)cc1Cl,CHEMBL3104369,7.06
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104368,6.7
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104367,6.56
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccccc2)cc1Cl,CHEMBL3104366,6.12
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccccc2)cc1Cl,CHEMBL3104365,6.56
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104364,6.47
+CCOc1ccccc1C1=NOC(C(=O)NO)C1,CHEMBL3110149,4.14
+CC1(C(=O)NO)CC(c2ccccc2F)=NO1,CHEMBL3110155,4.19
+CC1(C(=O)NO)CC(c2cccc(F)c2)=NO1,CHEMBL3110154,4.32
+CCOc1ccc(C2=NOC(C(=O)NO)C2)cc1,CHEMBL3110150,4.33
+CC1(C(=O)NO)CC(c2cccc(Cl)c2)=NO1,CHEMBL3110152,4.55
+O=C(NO)C1CC(c2ccc(Cl)cc2)=NO1,CHEMBL3110148,5.49
+O=C(NO)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1,CHEMBL3110151,6.19
+O=C(NO)C1CC(c2ccccc2)=NO1,CHEMBL3110145,6.21
+CC1(C(=O)NO)CC(c2cccc(Br)c2)=NO1,CHEMBL3110153,6.22
+O=C(NO)C1CC(c2ccccc2Cl)=NO1,CHEMBL3110146,6.29
+O=C(NO)C1CC(c2cccc(Cl)c2)=NO1,CHEMBL3110147,6.88
+NS(=O)(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1,CHEMBL3113923,6.28
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1,CHEMBL3113922,6.31
+NS(=O)(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,CHEMBL3113926,6.3
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL3113927,6.53
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377772,6.39
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377773,6.5
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL3121765,5.07
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL3121764,5.18
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1,CHEMBL3121760,5.35
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1,CHEMBL3121759,6.33
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CHEMBL3121758,7.05
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1,CHEMBL3121757,6.06
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1,CHEMBL3121756,6.29
+COc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121755,7.08
+Cc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121754,6.53
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,CHEMBL3121753,6.15
+NS(=O)(=O)c1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121752,6.66
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Br)cc3)n[nH]c2=S)cc1,CHEMBL3121772,6.88
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1,CHEMBL3121771,7.07
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1,CHEMBL3121770,6.77
+COc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121769,6.57
+Cc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121768,6.78
+NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,CHEMBL3121767,6.54
+COc1ccc(Nc2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3120745,6.96
+Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)n1,CHEMBL3120744,7.06
+Nc1cccnc1Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3120743,6.38
+NCCCNc1nc(NCCCN)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120742,5.36
+CN(CCO)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCO)n1,CHEMBL3120741,5.63
+CC(C)(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)(C)C)n1,CHEMBL3120740,6.39
+NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CHEMBL242764,6.23
+Nc1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120739,7.05
+Cc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)c1,CHEMBL3120738,6.35
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1,CHEMBL3120746,7.06
+Cc1cccc(Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,CHEMBL3120747,6.45
+CN(CCO)c1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120748,5.97
+NCCCNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120749,5.86
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1,CHEMBL3120750,5.6
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1,CHEMBL243806,6.37
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126809,7.49
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126808,7.44
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126807,8.41
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126806,8.15
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126805,7.04
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126804,8.02
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126821,8.1
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126820,7.4
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126819,7.92
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126818,8.02
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126817,6.75
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(OC)cc1,CHEMBL3126816,8.08
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1,CHEMBL3126815,7.55
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126814,7.67
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1cccs1,CHEMBL3126813,7.41
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126812,6.42
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126811,7.27
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126825,7.48
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126824,7.49
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126823,6.59
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126822,7.17
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126810,7.11
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccccc2)cc1,CHEMBL3235165,6.52
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccc(Cl)cc2)cc1,CHEMBL3235166,6.39
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccccc2)cc1,CHEMBL3235167,6.4
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(Cl)cc2)cc1,CHEMBL3235168,6.47
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(F)cc2)cc1,CHEMBL3235169,6.36
+Cc1ccc(C(=O)CN(/C=C/C(=O)C(F)(F)F)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3235170,6.34
+CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235171,6.3
+CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235172,6.23
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1,CHEMBL3235173,6.24
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)cc1,CHEMBL3235174,6.3
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1,CHEMBL3235175,6.28
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=S)cc1,CHEMBL3235176,6.3
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]2)cc1,CHEMBL3235177,6.39
+N#[N+][N-]c1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL3233387,5.31
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4C(F)(F)F)nn3)ccc21,CHEMBL3233390,5.1
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)cc1,CHEMBL3233391,5.27
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c(C)c1,CHEMBL3233393,5.06
+NS(=O)(=O)c1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233394,6.45
+O=C(O)c1ccc(/N=C/c2ccccc2)cc1,CHEMBL567820,5.91
+O=C(O)c1ccc(NCc2ccccc2)cc1,CHEMBL32051,7.25
+CC(C)(C)c1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1,CHEMBL567821,5.08
+CC(C)(C)c1ccc(CNc2ccc(C(=O)O)cc2)cc1,CHEMBL3264961,6.58
+O=C(O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264962,6.93
+COc1ccc(O)c(/C=N/c2ccc(C(=O)O)cc2)c1,CHEMBL573209,5.89
+COc1ccc(O)c(CNc2ccc(C(=O)O)cc2)c1,CHEMBL3264963,6.72
+COC(=O)c1ccc(/N=C/c2ccccc2)cc1,CHEMBL574452,5.07
+COC(=O)c1ccc(NCc2ccccc2)cc1,CHEMBL3264964,6.7
+COC(=O)c1ccc(/N=C/c2ccc(C(C)(C)C)cc2)cc1,CHEMBL572526,5.13
+COC(=O)c1ccc(NCc2ccc(C(C)(C)C)cc2)cc1,CHEMBL3264965,6.6
+COC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1,CHEMBL575341,5.98
+COC(=O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264966,6.68
+COC(=O)c1ccc(/N=C/c2cc(OC)ccc2O)cc1,CHEMBL575342,5.13
+COC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1,CHEMBL3264967,6.64
+CC(C)(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL572753,7.07
+CC(C)(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264968,7.73
+NS(=O)(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1,CHEMBL270670,7.1
+NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)cc1,CHEMBL3264969,7.54
+COc1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL566297,7.28
+COc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264970,7.63
+NS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1,CHEMBL3264971,7.03
+NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1,CHEMBL3264972,7.52
+CC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264973,7.14
+CC(C)(C)c1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264974,7.59
+NS(=O)(=O)c1ccc(/C=N/Cc2ccc(O)cc2)cc1,CHEMBL3264975,7.12
+NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1,CHEMBL3264976,7.23
+COc1ccc(O)c(/C=N/Cc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264977,7.04
+COc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264978,7.28
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2)cc1,CHEMBL3264979,6.17
+CC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264981,6.18
+CC(C)(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3264982,7.3
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(O)cc2)cc1,CHEMBL3264983,6.98
+NS(=O)(=O)c1ccc(CCNCc2ccc(O)cc2)cc1,CHEMBL3264984,7.04
+COc1ccc(O)c(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264985,7.15
+COc1ccc(O)c(CNCCc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3264986,7.25
+Cc1nn(C)c2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3237855,6.57
+N#CC1=CCc2ccccc2C=C1,CHEMBL3290054,5.39
+N#CC1=Cc2ccccc2CC=C1,CHEMBL3290055,5.54
+N#Cc1ccc(=O)c2ccccc2c1,CHEMBL3290056,5.41
+N#Cc1cccc2ccccc2c1=O,CHEMBL3290057,5.4
+N#Cc1cc2ccccc2ccc1=O,CHEMBL3290058,5.44
+N#Cc1ccc2ccccc2c(=O)c1,CHEMBL3290059,5.44
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291105,5.21
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291106,5.26
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291107,5.14
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl,CHEMBL3291108,5.46
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291109,5.56
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291110,5.52
+Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291111,5.62
+NS(=O)(=O)c1cc(-c2nnco2)c(Cl)cc1Cl,CHEMBL3291086,6.19
+Cc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1,CHEMBL3291087,6.14
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291088,5.87
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291089,5.93
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291090,5.49
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291091,5.63
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291092,6.25
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291093,6.17
+Cc1ccc(-c2nnc(-c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cc1,CHEMBL3291094,6.46
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)s2)c(Cl)cc1Cl,CHEMBL3291095,5.88
+NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291096,5.63
+NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291097,5.49
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291098,6.24
+NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291099,5.93
+NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291100,6.03
+NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291101,5.9
+NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc32)c(Cl)cc1Cl,CHEMBL3291102,5.27
+NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl,CHEMBL3291103,5.19
+NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)cc1Cl,CHEMBL3291104,5.13
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N,CHEMBL3298343,7.07
+CCO/C=N/c1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3298344,6.8
+N=c1c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2ncn1N,CHEMBL3298345,7.67
+N#Cc1c(N)nn2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c12,CHEMBL3298346,7.49
+CCOC(=O)c1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298347,7.18
+CCOC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298348,7.56
+CC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298349,7.48
+CCOC(=O)n1c(=O)nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn21,CHEMBL3298350,7.63
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nnnc32)cc1,CHEMBL3298351,7.55
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2N=CN2NC(=O)CN=C32)cc1,CHEMBL3298352,7.03
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc(O)c(=O)nc32)cc1,CHEMBL3298353,7.16
+CC1=CC(C)=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=N1,CHEMBL3298354,7.6
+N#CC1C=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC1=N,CHEMBL3298355,7.09
+CCOC(=O)C1=C(N)N=C2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3N=CN2N=C1,CHEMBL3298838,6.9
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc4c5ccccc5nc-4nc32)cc1,CHEMBL3298839,6.3
+CC(=O)N1C(=O)/C(=N\n2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c2=N)c2ccccc21,CHEMBL3298840,7.6
+CC(=CC(=O)c1ccccc1)Nn1cnc2c(c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c1=N,CHEMBL3297802,7.79
+CC1=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC(c2ccccc2)=C1,CHEMBL3297803,7.55
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cccc(C)c2c1=O,CHEMBL3337907,6.98
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccc(C)cc2c1=O,CHEMBL3337908,6.92
+Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1,CHEMBL3337909,7.06
+Cc1cccc2c(=O)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337910,5.68
+COc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1,CHEMBL3337911,5.32
+COc1cccc2c(=O)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337912,5.27
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccc([N+](=O)[O-])cc2c1=O,CHEMBL3337913,6.17
+NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccccc2)cc1,CHEMBL3337914,5.47
+Cc1cccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=S)c12,CHEMBL3337993,5.38
+Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=S)c2c1,CHEMBL3337994,6.1
+Cc1cccc2c(=S)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337995,5.67
+COc1cccc2c(=S)n(Cc3ccccc3)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3337996,6.1
+NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3c(=S)n2Cc2ccccc2)cc1,CHEMBL3337997,5.34
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O,CHEMBL3343177,6.09
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O,CHEMBL3343178,6.12
+O=S(=O)(NO)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3343323,6.04
+O=S(=O)(NO)NC1C=C[C@H](O)CO1,CHEMBL3343324,6.03
+Cc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377787,7.66
+O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL312097,7.52
+NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL520850,7.55
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL2377786,7.51
+O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377785,7.53
+NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377784,7.51
+NS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377783,7.47
+O=C(O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377782,6.83
+NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377781,7.45
+NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1,CHEMBL2377780,6.75
+Cc1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377788,7.61
+Cc1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377789,7.58
+CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377790,7.65
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377791,7.67
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377792,6.9
+NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377793,7.56
+NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377794,7.62
+O=C(O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377795,7.57
+O=C(O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377771,7.55
+NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377775,6.31
+NS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377776,6.58
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377778,6.39
+NS(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343261,5.36
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343262,5.36
+NS(=O)(=O)c1ccc(/N=C/c2csc3ccccc23)cc1,CHEMBL3343263,5.51
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1,CHEMBL3343264,6.3
+NS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1,CHEMBL3343265,6.61
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1,CHEMBL3343266,5.82
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3343267,5.15
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc(Br)c2O)cc1,CHEMBL3343269,5.27
+COc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c(O)c1,CHEMBL3343270,5.36
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343271,5.37
+COc1cc([N+](=O)[O-])ccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL3343272,6.67
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343273,5.87
+CSc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343274,5.53
+N#Cc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343275,5.66
+NS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1,CHEMBL3343276,5.76
+NS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1,CHEMBL3343277,5.58
+NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,CHEMBL3342257,5.62
+NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342255,5.62
+NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342254,5.05
+COC(=O)[C@@H]1C[C@@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342252,5.02
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CC[C@@H](OS(N)(=O)=O)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342251,5.81
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342250,5.62
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342249,6.46
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342248,5.87
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342247,5.98
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1,CHEMBL3354126,7.14
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3354127,6.69
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1,CHEMBL3354128,7.06
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1,CHEMBL3354129,7.09
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1,CHEMBL3354130,7.24
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL3354131,7.67
+Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3354132,7.17
+Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3354133,7.19
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3354134,7.24
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3354135,7.08
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3354136,7.28
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL3354139,5.3
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12,CHEMBL3354142,5.62
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12,CHEMBL3354140,5.24
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356279,4.64
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356278,4.57
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356277,5.15
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356275,4.54
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356274,4.54
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(F)cc1,CHEMBL3356271,4.92
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccccc1,CHEMBL3356268,5.01
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356267,6.42
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356266,6.39
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356265,6.5
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3356264,6.16
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3352855,6.57
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356263,6.8
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356262,5.63
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356261,5.58
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356260,4.8
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356259,4.99
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356258,5.13
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356257,5.06
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1,CHEMBL3342502,6.66
+CC(=O)CC(=O)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342501,6.83
+Cc1nc(=S)c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2[nH]1,CHEMBL3342500,6.67
+CC(=S)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342499,7.39
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=S)[nH]c(=S)[nH]c32)cc1,CHEMBL3342498,6.82
+Nc1[nH]c(=S)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342497,6.63
+Nc1[nH]c(=O)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342496,7.22
+Cc1ccc(S(=O)(=O)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342495,6.15
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NS(=O)(=O)c1ccccc1,CHEMBL3342494,5.73
+Cc1ccc(-n2c(N)c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3nc2=S)cc1,CHEMBL3342493,6.09
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3342492,6.55
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(I)cc1,CHEMBL3342491,6.05
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Br)cc1,CHEMBL3342490,6.32
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1,CHEMBL3342489,6.38
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Cl)cc1,CHEMBL3342488,6.32
+COc1ccc(NC(=S)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342487,6.42
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccccc1,CHEMBL3342486,6.7
+CC(C)(C)OC(=O)NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359164,8.28
+CC(C)(C)OC(=O)NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359165,8.18
+CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359166,7.39
+CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359167,8.1
+CC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359168,8.21
+NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359169,6.19
+NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359170,6.34
+NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359171,6.54
+NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359172,7.28
+NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359173,7.2
+NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359174,7.74
+NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359175,7.77
+NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359176,7.04
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359177,6.08
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359178,6.82
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,7.38
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,7.28
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,6.67
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,6.44
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,7.49
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,6.43
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1,CHEMBL3311028,6.45
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1,CHEMBL3311027,6.49
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL3311026,6.46
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL3311025,6.44
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CHEMBL3311024,6.47
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1,CHEMBL3311023,6.46
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,CHEMBL3310915,6.49
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1,CHEMBL3310914,6.46
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1,CHEMBL3310913,6.5
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1,CHEMBL3310912,6.51
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC)cc1,CHEMBL3310911,5.7
+CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314167,7.7
+CC(C)(C)OC(=O)NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314168,6.6
+NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314169,5.64
+NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314170,6.29
+CC(C)(C)OC(=O)NC(=NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1)NC(=O)OC(C)(C)C,CHEMBL3314171,6.71
+CC(C)(C)OC(=O)NC(=NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)NC(=O)OC(C)(C)C,CHEMBL3314172,6.57
+N=C(N)NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314173,6.01
+N=C(N)NCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314174,5.67
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314175,6.32
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314176,6.37
+CC(=O)NC(CCCCN)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314177,5.63
+CC(=O)NC(CCCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314178,6.2
+CC(=O)NC(CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314179,5.64
+CC(=O)NC(CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314180,6.28
+CC(=O)NC(CCCCNC(=N)N)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314181,5.5
+CC(=O)NC(CCCCNC(=N)N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3314182,6.54
+CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3313934,5.22
+CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3314183,7.66
+CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3314184,6.82
+COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3314185,7.05
+CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323213,7.38
+COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323212,7.33
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CHEMBL3323211,7.28
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3323210,7.31
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323209,7.32
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3323208,7.31
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3323207,7.4
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3323206,7.08
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1,CHEMBL3323205,7.39
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1,CHEMBL3329931,5.14
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL3329930,5.13
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329929,5.06
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL562109,5.19
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329927,5.13
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329926,5.18
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329925,5.33
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329924,5.06
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329922,5.08
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329921,5.25
+NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326419,6.48
+CC(C)(C)OC(=O)NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326418,7.35
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CO)nn2)c(F)c1F,CHEMBL3326417,6.59
+COC(=O)c1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326416,7.3
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F,CHEMBL3326415,6.08
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCl)nn2)c(F)c1F,CHEMBL3326414,6.19
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCBr)nn2)c(F)c1F,CHEMBL3326413,6.38
+CCCCCc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326412,5.84
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F,CHEMBL3326411,7.37
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(-c3ccccc3)nn2)c(F)c1F,CHEMBL3326410,7.38
+Cc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326409,7.38
+NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326408,6.12
+CC(C)(C)OC(=O)NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326407,6.38
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326406,5.82
+NS(=O)(=O)c1ccc(-n2cc(CCCCCl)nn2)cc1,CHEMBL3326405,5.87
+NS(=O)(=O)c1ccc(-n2cc(CCCCl)nn2)cc1,CHEMBL3326404,5.93
+NS(=O)(=O)c1ccc(-n2cc(CCBr)nn2)cc1,CHEMBL3326403,5.9
+CCCCCc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL3326402,5.49
+NS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1,CHEMBL3326401,6.45
+CC1=CC(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322525,5.89
+CC(=O)COC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322441,5.6
+CC(=O)CN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3322440,4.81
+CC1=CC(OCC#N)=NS(=O)(=O)O1,CHEMBL3322439,5.54
+Cc1nonc1S(N)(=O)=O,CHEMBL3309352,8.05
+Cc1c(S(N)(=O)=O)no[n+]1[O-],CHEMBL3309353,7.96
+C=C1NO[N+]([O-])=C1S(N)(=O)=O,CHEMBL3309354,8.0
+NS(=O)(=O)c1nonc1-c1ccccc1,CHEMBL3309355,7.95
+NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1,CHEMBL1215508,7.38
+NS(=O)(=O)c1c(-c2ccccc2)no[n+]1[O-],CHEMBL1215509,7.25
+COc1nonc1S(N)(=O)=O,CHEMBL3309356,7.8
+CCOc1nonc1S(N)(=O)=O,CHEMBL3309357,7.91
+CCCCOc1nonc1S(N)(=O)=O,CHEMBL3309358,8.07
+CC(C)COc1nonc1S(N)(=O)=O,CHEMBL3309359,7.8
+NS(=O)(=O)c1nonc1OCc1ccccc1,CHEMBL3309360,7.7
+NS(=O)(=O)c1nonc1Oc1ccccc1,CHEMBL3309361,7.68
+NS(=O)(=O)c1ccc(-c2nonc2-c2ccccc2)cc1,CHEMBL3309362,6.21
+NS(=O)(=O)c1ccc(-c2no[n+]([O-])c2-c2ccccc2)cc1,CHEMBL3309363,6.18
+NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309364,6.25
+NS(=O)(=O)c1ccc(-c2nonc2[N+](=O)[O-])cc1,CHEMBL3309365,6.31
+NS(=O)(=O)c1ccc(-c2c([N+](=O)[O-])no[n+]2[O-])cc1,CHEMBL3309366,6.23
+NS(=O)(=O)c1ccc(-c2nonc2Oc2ccccc2)cc1,CHEMBL3309367,6.67
+NS(=O)(=O)c1ccc(-c2c(Oc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309368,6.3
+NS(=O)(=O)c1ccc(-c2nonc2Sc2ccccc2)cc1,CHEMBL3309369,6.61
+NS(=O)(=O)c1ccc(-c2c(Sc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309370,6.58
+NS(=O)(=O)c1ccc(-c2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309371,6.52
+NS(=O)(=O)c1ccc(-c2c(S(=O)(=O)c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309372,6.55
+NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1,CHEMBL3309373,6.41
+NS(=O)(=O)c1ccc(OC=C2NO[N+]([O-])=C2c2ccccc2)cc1,CHEMBL3309374,6.45
+NC(=O)c1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309375,6.47
+NC(=O)C1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309376,6.64
+N#Cc1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309377,7.0
+N#CC1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309378,6.97
+NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309853,8.02
+NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309854,6.99
+Cc1ccc(S(=O)(=O)NC(=O)C2C(C(=O)OCc3ccccc3)[C@@H]3C=C[C@H]2CC3)cc1,CHEMBL3402244,6.73
+Cc1ccc(S(=O)(=O)NC(=O)C2[C@H]3C=C[C@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1,CHEMBL3402245,6.72
+Cc1ccc(S(=O)(=O)NC(=O)C2CC=CCC2C(=O)OCc2ccccc2)cc1,CHEMBL3402246,6.76
+CC1=CCC(C(=O)OCc2ccccc2)C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C1,CHEMBL3402247,6.91
+Cc1ccc(S(=O)(=O)NC(=O)C2[C@H](C(=O)OCc3ccccc3)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1,CHEMBL3402248,7.44
+Cc1ccc(S(=O)(=O)NC(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2[C@H](O)[C@@H]3O)cc1,CHEMBL3402249,7.01
+Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)O)cc1,CHEMBL3402250,6.59
+Cc1ccc(S(=O)(=O)NC(=O)C2CC(O)C(O)CC2C(=O)O)cc1,CHEMBL3402251,6.84
+Cc1ccc(S(=O)(=O)NC(=O)C2CC(C)(O)C(O)CC2C(=O)O)cc1,CHEMBL3402252,6.98
+Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H](C(=O)O)[C@]3(Cl)C(Cl)(Cl)[C@]2(Cl)[C@@](O)(Cl)[C@]3(O)Cl)cc1,CHEMBL3402253,7.29
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401465,5.17
+C#CCN(CC#C)c1ccc(S(N)(=O)=O)cc1,CHEMBL3402973,5.19
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F,CHEMBL3402974,7.46
+NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1,CHEMBL3402972,5.62
+NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1,CHEMBL3402971,7.32
+NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1,CHEMBL3402970,6.34
+NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1,CHEMBL3402969,5.25
+NS(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1,CHEMBL3402968,5.46
+NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1,CHEMBL3402967,6.68
+NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3402966,6.84
+NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1,CHEMBL3402965,6.61
+NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL3402964,6.64
+NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1,CHEMBL3402963,6.5
+NS(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL3402962,6.12
+C#CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402961,5.63
+C=CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402960,6.11
+CCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL1338403,6.1
+CCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402959,6.11
+CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402958,6.61
+NS(=O)(=O)c1ccc(CCNC(=S)S)cc1,CHEMBL3400816,7.01
+S=C(S)NCCc1ccccc1,CHEMBL3400815,6.37
+O=C(CN1CCN(C(=S)S)CC1)NC1CCCCC1,CHEMBL3400814,6.38
+O=C(O)C1COCCN1C(=S)S,CHEMBL3400813,7.07
+CC1COCCN1C(=S)S,CHEMBL3400812,6.36
+CC(C)(C)C(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400811,6.17
+CC(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400810,6.04
+O=C(O)C1CCN(C(=S)S)CC1,CHEMBL3400809,6.47
+O=C(O)[C@H]1CCCN(C(=S)S)C1,CHEMBL3400808,6.96
+O=C(O)[C@@H]1CCCN(C(=S)S)C1,CHEMBL3400807,6.3
+O=C(O)C1CCCN(C(=S)S)C1,CHEMBL3400806,6.54
+O=C(O)C1CCCCN1C(=S)S,CHEMBL3400156,6.31
+OC1CCCN(C(=S)S)C1,CHEMBL3400805,6.37
+S=C(S)N1CCCCC1,CHEMBL3400804,6.6
+S=C(S)N[C@@H]1CN2CCC1CC2,CHEMBL3400803,6.21
+S=C(S)N[C@H]1CN2CCC1CC2,CHEMBL3400802,6.62
+S=C(S)NC1CN2CCC1CC2,CHEMBL3400801,6.31
+OCCCCCNC(=S)S,CHEMBL3400800,7.18
+OCCCCNC(=S)S,CHEMBL3400799,6.53
+OCCCNC(=S)S,CHEMBL3400798,6.15
+CN(C)CCNC(=S)S,CHEMBL3400797,7.07
+NS(=O)(=O)c1nnc(NCc2cn(-c3ccccc3)nn2)s1,CHEMBL3410762,6.85
+NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(-c3ccccc3)nn2)s1,CHEMBL3410760,5.5
+NS(=O)(=O)c1nnc(N(Cc2cn(-c3ccccc3)nn2)Cc2cn(-c3ccccc3)nn2)s1,CHEMBL3410758,5.13
+NS(=O)(=O)c1nnc(NCc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)s1,CHEMBL3410763,7.06
+C#CCN(CC#C)c1nnc(S(N)(=O)=O)s1,CHEMBL3410761,5.25
+NS(=O)(=O)c1nnc(N(Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)Cc2cn(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)s1,CHEMBL3410759,4.7
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)S2)cc1,CHEMBL3416235,6.4
+NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1,CHEMBL3040927,6.02
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccccc2)cc1,CHEMBL3416241,5.1
+COc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423252,6.35
+Cc1cccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423251,6.35
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2)cc1,CHEMBL3423250,6.36
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)cc(Br)c2O)cc1,CHEMBL3423249,6.38
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2O)cc1,CHEMBL3421649,6.41
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)ccc2O)cc1,CHEMBL3423253,6.45
+Cc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423254,6.51
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1,CHEMBL3423255,6.42
+NS(=O)(=O)c1ccc(CC/N=C\c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423256,5.77
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423257,6.34
+CN(C)c1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423258,6.34
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423267,7.35
+CN(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423268,7.81
+NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1,CHEMBL3423259,8.28
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3423260,6.39
+Cc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423261,8.14
+COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423262,8.34
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1,CHEMBL3423263,7.91
+Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423264,8.35
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1,CHEMBL3423265,7.77
+NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423266,7.81
+CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585758,5.38
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585757,6.07
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(Cl)c1,CHEMBL3585756,6.24
+CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585755,5.43
+CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585754,5.46
+CCOc1ccc(S(=O)(=O)NC[C@@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585753,6.1
+CCOc1ccc(S(=O)(=O)NC[C@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585752,6.09
+CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585751,6.22
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585750,6.48
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585749,5.35
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CHEMBL3585748,6.33
+COc1cccc(OC)c1C(C)NS(N)(=O)=O,CHEMBL3585784,9.16
+COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1,CHEMBL3585783,9.25
+COc1ccc(C(C)NS(N)(=O)=O)cc1OC,CHEMBL3585782,9.18
+COc1ccc(C(C)NS(N)(=O)=O)cc1,CHEMBL3585781,9.32
+COc1ccccc1C(C)NS(N)(=O)=O,CHEMBL3585780,9.56
+COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3585779,10.34
+COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1,CHEMBL3585778,9.85
+COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC,CHEMBL3585777,10.32
+COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1,CHEMBL3585776,9.9
+COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3585775,9.9
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)N1CCN(/C(=N/c2nc3ccc(S(N)(=O)=O)cc3s2)SC)CC1,CHEMBL3594422,7.43
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)NCCN/C(=N/c1nc2ccc(S(N)(=O)=O)cc2s1)SC,CHEMBL3594421,7.58
+NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(C(=S)Nc4nc5ccc(S(N)(=O)=O)cc5s4)CC3)sc2c1,CHEMBL3594420,7.92
+NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(S(N)(=O)=O)cc4s3)sc2c1,CHEMBL3594419,7.44
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(NC(=S)Nc2ccccc2)c1C#N,CHEMBL3594418,6.8
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1NC(=S)Nc1ccccc1,CHEMBL3594417,7.11
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2[nH]cnc(=O)c12,CHEMBL3594416,7.39
+NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c(=O)nc[nH]c43)sc2c1,CHEMBL3594415,8.12
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2ncnc(N)c12,CHEMBL3594414,7.27
+Nc1ncnc2c1cnn2CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594413,7.31
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(N)c1C#N,CHEMBL3594412,7.58
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1N,CHEMBL3594411,7.57
+NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1,CHEMBL3594410,8.06
+Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594409,6.59
+Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)n2N)cc1Cl,CHEMBL3594408,6.65
+Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594407,6.8
+Nc1nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)nc2n[nH]cc12,CHEMBL3594406,6.74
+NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(=O)cc(O)[nH]3)sc2c1,CHEMBL3594405,7.58
+Nc1cc(=O)nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)[nH]1,CHEMBL3594404,6.89
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3601602,6.46
+Cc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1,CHEMBL3601880,4.97
+Cc1cc(=O)[nH]c(=O)[nH]1,CHEMBL1650614,4.24
+O=c1[nH]cc(CO)c(=O)[nH]1,CHEMBL1233360,4.31
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1,CHEMBL3601893,5.65
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1,CHEMBL3601892,8.74
+COc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601891,6.76
+Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601890,5.8
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1,CHEMBL3601889,5.72
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1,CHEMBL3601888,5.66
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3F)n2C2CCCCC2)cc1,CHEMBL3601887,6.08
+N#Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601886,5.66
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1,CHEMBL3601885,5.82
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1,CHEMBL3601884,5.75
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CCCCC2)cc1,CHEMBL3601883,5.68
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1,CHEMBL3601882,5.8
+Cc1cccc(N2CCN(C(=O)Nc3ccc(O)cc3)CC2)c1,CHEMBL3601545,5.28
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1,CHEMBL3601543,6.1
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,CHEMBL3601542,6.52
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cc5ccccc5o4)n3)CC2)cc1,CHEMBL3601540,7.15
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1,CHEMBL3601539,6.54
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(Br)cc4)n3)CC2)cc1,CHEMBL3601538,6.56
+COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1,CHEMBL3601537,6.55
+COc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601536,7.06
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1C,CHEMBL3601535,7.2
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601534,6.07
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3601533,6.24
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3601532,8.03
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3601531,6.05
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL3601530,6.5
+CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601464,6.83
+CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601463,7.63
+CC(=O)N1N=C(c2ccc(F)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601462,5.96
+COc1ccc(C2=NN(C(C)=O)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601461,7.07
+CC(=O)N1N=C(c2ccc(C)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601460,7.57
+CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601459,7.69
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601395,7.68
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601394,6.49
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601393,6.84
+COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601392,6.73
+Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601391,7.49
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601390,6.61
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(N)=O)cc1,CHEMBL3604514,5.56
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1,CHEMBL3604513,6.12
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL3604512,6.52
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1,CHEMBL3604511,6.67
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1,CHEMBL3604510,6.66
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1,CHEMBL3604509,6.57
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL3604420,6.63
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1,CHEMBL3604419,6.58
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1,CHEMBL3604418,6.64
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1,CHEMBL3604417,6.61
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1,CHEMBL3604416,6.52
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1,CHEMBL3604415,5.23
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL3604414,6.03
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1,CHEMBL3604413,6.9
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1,CHEMBL3604412,6.91
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL3604411,6.19
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL3604410,5.93
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL3604409,6.89
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL3604408,6.21
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL3604407,5.11
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1,CHEMBL3604406,5.09
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)O)cc1,CHEMBL3604405,5.15
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL3604404,6.89
+Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1,CHEMBL3608870,7.02
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1,CHEMBL3608871,8.32
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1,CHEMBL3608872,7.26
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1,CHEMBL3608873,11.0
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1,CHEMBL3608874,11.0
+Cc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1,CHEMBL3608875,7.34
+Cc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608876,6.54
+Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608877,6.64
+COc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608880,5.21
+Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608881,8.07
+Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608882,7.23
+Cc1ncc(-c2ccc(S(N)(=O)=O)s2)o1,CHEMBL3608885,6.85
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1,CHEMBL3608886,6.89
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1,CHEMBL3608887,7.43
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1,CHEMBL3608888,7.38
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1,CHEMBL3608889,7.65
+Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1,CHEMBL3608890,10.3
+NS(=O)(=O)c1cc(-c2cnc(C3CC3)o2)cs1,CHEMBL3608891,7.66
+NS(=O)(=O)c1cc(-c2cnc(C3CCC3)o2)cs1,CHEMBL3608892,8.05
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1,CHEMBL3608893,7.1
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1,CHEMBL3608894,10.05
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1,CHEMBL3609195,6.67
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL1736901,7.3
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL3609196,7.11
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3609197,6.09
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3609198,5.71
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3609199,6.07
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL3609201,5.02
+COc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609475,6.82
+COc1cccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1,CHEMBL3609476,7.47
+COc1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL1714980,6.43
+CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL3609477,6.03
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,CHEMBL3609478,7.58
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1,CHEMBL3609479,7.29
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,CHEMBL3609480,6.29
+N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609481,8.12
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,CHEMBL3609482,7.36
+C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O,CHEMBL3609440,7.22
+NOS(=O)(=O)NC1C=C[C@@H](O)CO1,CHEMBL3609439,7.19
+NOS(=O)(=O)NC1C=C[C@H](O)CO1,CHEMBL3609438,7.3
+NOS(=O)(=O)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3609437,6.6
+NOS(=O)(=O)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3608320,6.26
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)O[C@H]1C,CHEMBL3609436,7.06
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609435,7.26
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609434,7.43
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O,CHEMBL3609433,7.16
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O,CHEMBL3609432,7.05
+NOS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3609431,6.52
+NS(=O)(=O)ONC(=O)OCc1ccccc1,CHEMBL3609430,7.51
+NS(=O)(=O)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3613287,6.04
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL3613286,6.25
+CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H]1OC(C)=O,CHEMBL3613285,6.07
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613284,6.28
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613283,6.36
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1,CHEMBL3613783,7.1
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(O)ccc32)cc1,CHEMBL3613782,7.24
+COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3613781,7.73
+NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1,CHEMBL3613780,7.12
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1,CHEMBL3613779,6.73
+COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2,CHEMBL3613778,7.54
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1,CHEMBL3613777,8.07
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2,CHEMBL3613776,7.4
+NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1,CHEMBL3613775,7.51
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL3623646,5.19
+Cc1cc(C)c(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)c(C)c1,CHEMBL3623645,5.19
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1,CHEMBL3623644,5.27
+COc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623643,5.37
+Cc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623642,5.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL3623641,5.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL3623640,5.41
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)c(C)c1,CHEMBL3623639,5.25
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3623638,5.19
+COc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623637,5.16
+Cc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623636,5.34
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL3623635,5.68
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(N)c1,CHEMBL3623634,5.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(N)cc1,CHEMBL3623633,5.6
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL3623632,6.16
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL3623631,5.29
+Cc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12,CHEMBL3623676,6.61
+Cc1cc(=O)oc2cc(-n3cc(CSc4ccccc4)nn3)ccc12,CHEMBL3623675,5.67
+Cc1cc(=O)oc2cc(-n3cc(COc4ccccc4)nn3)ccc12,CHEMBL3623674,5.91
+NS(=O)(=O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623672,6.76
+O=C(O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623671,6.62
+O=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1,CHEMBL3623670,6.62
+O=c1ccc2ccc(OCc3cn(-c4ccc(C(F)(F)F)cc4)nn3)cc2o1,CHEMBL3623669,6.62
+O=c1ccc2ccc(OCc3cn(-c4ccc(F)cc4)nn3)cc2o1,CHEMBL3623668,5.8
+COc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1,CHEMBL3623667,6.68
+O=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1,CHEMBL3623664,6.04
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,5.44
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,5.41
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,5.02
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,5.28
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1,CHEMBL3627999,4.83
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1,CHEMBL3627998,4.2
+Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1,CHEMBL1885780,4.53
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2-c2ccccc2)cc1,CHEMBL3633379,7.27
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2-c2ccccc2)cc1,CHEMBL3633380,6.99
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc2-c2ccccc2)cc1,CHEMBL3633381,8.05
+Cc1ccc2c(c1)/C(=N/NC(=O)c1cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n1)C(=O)N2,CHEMBL3633382,7.28
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633383,8.01
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)c2-c2ccccc2)cc1,CHEMBL3633384,7.42
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)c2-c2ccccc2)cc1,CHEMBL3633385,8.17
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-c1ccccc1)C(=O)N2,CHEMBL3633386,8.12
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c2-c2ccccc2)cc1,CHEMBL3633547,7.31
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633548,7.21
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633549,8.24
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633550,8.15
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633551,8.28
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1N)C(=O)N2,CHEMBL3633552,8.15
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633553,7.15
+Nc1c(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633554,7.83
+COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632825,7.11
+CC(C)(C)OC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632826,7.1
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3632827,6.47
+NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632828,7.17
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCO)cc2)cc1,CHEMBL3632829,7.33
+NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3632830,7.21
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,CHEMBL3632832,5.79
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1,CHEMBL3632833,7.28
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1,CHEMBL3632834,7.12
+COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632835,7.13
+COC(=O)c1ccc(C(O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632836,8.2
+COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632837,6.91
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632838,6.58
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632839,7.14
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632840,6.63
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632841,7.1
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632842,8.05
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632843,7.15
+Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632844,7.21
+Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632845,6.23
+C=CCNC(=S)NNC(=O)c1ccccc1O,CHEMBL3633783,6.39
+O=C(NNC(=S)NCc1ccccc1)c1ccccc1O,CHEMBL3633782,6.08
+Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1,CHEMBL3633781,7.36
+O=C(NNC(=S)Nc1ccccc1)c1ccccc1O,CHEMBL3633780,7.06
+CCNC(=S)NNC(=O)c1ccccc1O,CHEMBL3633779,6.68
+NC(=S)NNC(=O)c1ccccc1O,CHEMBL3633778,6.4
+C=CCNC(=S)NNC(=O)c1ccncc1,CHEMBL1479002,6.06
+O=C(NNC(=S)NCc1ccccc1)c1ccncc1,CHEMBL3633777,7.31
+Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1,CHEMBL3127420,7.33
+O=C(NNC(=S)Nc1ccccc1)c1ccncc1,CHEMBL1412565,7.47
+CCNC(=S)NNC(=O)c1ccncc1,CHEMBL1442294,7.01
+NC(=S)NNC(=O)c1ccncc1,CHEMBL3633776,6.21
+Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON,CHEMBL3654432,5.02
+Cc1ncc([N+](=O)[O-])n1CCOS(=O)(=O)ON,CHEMBL3654431,5.35
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3739554,5.38
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3740241,5.46
+COc1cc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)cc1OC,CHEMBL3740966,5.36
+Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)c1,CHEMBL3740404,5.32
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741546,7.47
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3742377,7.38
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741601,7.33
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CHEMBL3740074,5.61
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O,CHEMBL3742007,5.45
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3741011,5.84
+NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1,CHEMBL3741975,5.59
+NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1,CHEMBL3740300,5.12
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc(S(N)(=O)=O)c5)nn4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3740484,5.19
+Cc1ccc2c(n1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752481,7.16
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1,CHEMBL3754807,7.17
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752163,7.08
+COc1ccc2c(c1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752794,7.17
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1,CHEMBL3753359,7.09
+Cc1ccc2c(n1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3753066,6.43
+CN(CC(=O)O)c1ccc2c(c1)-c1cccnc1SC2,CHEMBL3752729,6.36
+COc1ccc2c(c1)SCc1ccc(NCC(=O)O)cc1-2,CHEMBL3753865,6.06
+COc1ccc2c(c1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3752864,6.29
+Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752602,7.43
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1,CHEMBL3753927,7.65
+COc1ccc2c(c1)SCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3751874,7.16
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752378,7.38
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,CHEMBL3760079,6.37
+Cc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758347,6.33
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1,CHEMBL3758993,6.34
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758702,6.35
+CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL270671,6.38
+NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1,CHEMBL3758614,7.31
+NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3759587,7.37
+Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758537,7.61
+COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1579806,7.66
+NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1,CHEMBL3760099,7.37
+Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3758188,7.75
+NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1,CHEMBL248691,7.51
+NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3759307,7.42
+NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758586,7.68
+CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3759945,7.67
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCCC4)ccc2=O)cc1,CHEMBL3760111,8.29
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cc4ccccc4)cc3)ccc2=O)cc1,CHEMBL3758698,8.07
+CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3759134,8.95
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c5c(cccc35)CC4)ccc2=O)cc1,CHEMBL3759757,8.56
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCC4)ccc2=O)cc1,CHEMBL3758504,8.44
+CCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3759464,8.63
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1,CHEMBL3760118,8.77
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1,CHEMBL3759894,8.31
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)ccc2=O)cc1,CHEMBL3758784,8.51
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1,CHEMBL3759883,8.46
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Br)cc3)ccc2=O)cc1,CHEMBL3758388,8.26
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1,CHEMBL3759344,8.44
+Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1489759,5.86
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1C(F)(F)F,CHEMBL3759443,5.45
+Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3758327,5.82
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1,CHEMBL3760060,5.87
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1,CHEMBL3759608,5.61
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)cc1,CHEMBL3759331,5.63
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1,CHEMBL3759882,6.49
+COc1cccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3759447,5.87
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1,CHEMBL1391313,5.96
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1Cl,CHEMBL1472681,5.83
+CC1=CC(=O)N(CC(=O)c2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3759876,6.5
+CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3759567,5.69
+CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1,CHEMBL3759518,5.01
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1,CHEMBL3759678,5.31
+C#CCOc1ccc2ccc(=O)oc2c1,CHEMBL308819,4.14
+Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3765191,7.11
+Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3764707,7.02
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3765561,7.02
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3763581,8.05
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3764098,8.04
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765057,8.1
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3765409,7.99
+Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3765390,8.07
+COc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764657,7.53
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3589744,6.17
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3589808,6.05
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3589200,7.07
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765128,6.34
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3763750,7.2
+Cc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764056,7.34
+COc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764810,6.41
+NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3764182,7.38
+Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3764580,5.46
+CC(C)c1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3763192,6.84
+NS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1,CHEMBL3763914,6.0
+NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1,CHEMBL3765495,5.93
+COC(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763795,5.16
+Nc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763967,5.63
+N#Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3763508,5.87
+NS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1,CHEMBL3763884,5.16
+COc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL3764506,5.02
+NS(=O)(=O)c1ccc(-c2cccnc2)cc1,CHEMBL3763387,5.62
+NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1,CHEMBL3764628,7.45
+NS(=O)(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1,CHEMBL3764718,7.61
+NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CHEMBL3765197,7.08
+NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1,CHEMBL3764340,6.18
+COc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc2c1,CHEMBL3765726,5.58
+NS(=O)(=O)c1ccc(-c2cc3ccccc3o2)cc1,CHEMBL3763167,6.73
+NS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1,CHEMBL3763841,6.43
+COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3763877,8.05
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1OC,CHEMBL3765532,7.9
+COc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764087,5.51
+COc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3763255,6.7
+Cc1cc(C)c2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764536,6.82
+Cc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3765745,7.47
+Cc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3765657,6.86
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3763607,6.66
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(F)cccc3c2=O)cc1,CHEMBL3765739,6.55
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(I)cccc3c2=O)cc1,CHEMBL3765033,6.55
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,CHEMBL3765404,6.5
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3764181,6.54
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Br)cccc3c2=O)cc1,CHEMBL3765244,6.79
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3763880,6.62
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1,CHEMBL3763861,6.76
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3763168,7.09
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21,CHEMBL3785289,6.84
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CHEMBL3765353,6.64
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1,CHEMBL3787255,6.53
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Br)ccc21,CHEMBL3786062,6.34
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21,CHEMBL3785827,6.43
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1,CHEMBL3787472,6.6
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(F)ccc21,CHEMBL3786969,6.59
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1,CHEMBL3786724,6.43
+Cc1ccc2c(c1)/C(=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2C,CHEMBL3785654,6.27
+Cc1ccc2c(c1)/C(=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2,CHEMBL3787222,6.38
+CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc21,CHEMBL3785209,6.23
+NS(=O)(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1,CHEMBL1369708,6.37
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1,CHEMBL3785846,6.42
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)c1,CHEMBL3786477,6.27
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)c1,CHEMBL3787586,6.31
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccc(F)cc32)c1,CHEMBL3785591,6.37
+Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2,CHEMBL3633555,6.29
+NS(=O)(=O)c1cccc(/N=C2\C(=O)Nc3ccccc32)c1,CHEMBL3785467,6.24
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21,CHEMBL3787148,6.13
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(Cl)cc21,CHEMBL3786965,6.11
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccc(F)cc21,CHEMBL3787489,6.19
+Cc1ccc2c(c1)/C(=N/c1ccccc1S(N)(=O)=O)C(=O)N2,CHEMBL3785735,6.22
+NS(=O)(=O)c1ccccc1/N=C1\C(=O)Nc2ccccc21,CHEMBL3785153,6.09
+CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1,CHEMBL3786719,8.52
+CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1,CHEMBL3786442,8.5
+CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1,CHEMBL3786873,8.58
+CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1,CHEMBL3785207,8.47
+CN(C)C(=O)NC1CCc2cc(O)ccc2C1,CHEMBL3785391,8.45
+CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1,CHEMBL3786937,8.44
+COc1ccc2c(c1)CC(NS(=O)(=O)N(C)C)CC2,CHEMBL3786448,8.52
+COc1ccc2c(c1)CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3787223,8.55
+COc1cccc2c1CCC(NS(=O)(=O)N(C)C)C2,CHEMBL3785269,8.56
+COc1ccc2c(c1)C[C@@H](NC(=O)N(C)C)CC2,CHEMBL3787502,8.49
+COc1ccc2c(c1)CCC(NC(=O)N(C)C)C2,CHEMBL3786516,8.5
+COc1cccc2c1CC[C@H](NC(=O)N(C)C)C2,CHEMBL3786651,8.43
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O,CHEMBL3805919,7.66
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Cl)ccc2oc1=O,CHEMBL3805906,7.64
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O,CHEMBL3805222,6.66
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12,CHEMBL2316108,6.65
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12,CHEMBL2316107,7.63
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12,CHEMBL2316106,6.65
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3804869,6.61
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805418,5.72
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805861,6.53
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3806068,5.49
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805886,5.7
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805892,7.53
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804909,5.84
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3806054,6.46
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804902,6.58
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806081,6.56
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805545,6.5
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805723,6.51
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806010,6.56
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805133,5.51
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805080,6.53
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3804879,6.52
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805601,6.06
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805263,6.43
+N#Cc1c(-c2ccccc2)[nH]c(NNc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1=O,CHEMBL3810023,7.39
+NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1,CHEMBL3808852,6.15
+NS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1,CHEMBL3809959,9.08
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1,CHEMBL3809207,8.49
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)cs2)cc1,CHEMBL3808746,8.18
+NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3808876,8.19
+N=C(N)NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809123,9.07
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(C(=O)O)cc3)S2)cc1,CHEMBL3809540,8.12
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(Cl)cc3)S2)cc1,CHEMBL3809527,8.1
+NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809698,8.19
+Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809848,4.47
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3808553,7.06
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3810298,7.42
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3808953,7.46
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1,CHEMBL3809038,7.47
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)n2)cc1,CHEMBL3809086,7.48
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809966,7.49
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL3814449,7.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814291,6.47
+CSc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814927,7.32
+CCc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3815009,7.16
+Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814420,7.39
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Br)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814976,7.02
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814523,7.54
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL3814942,6.89
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O,CHEMBL3814163,7.31
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1,CHEMBL3814718,6.53
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814802,6.65
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814664,7.16
+CSc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814887,7.09
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3813758,7.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL3814764,6.83
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL3815152,7.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL3814117,8.17
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL3814808,7.32
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL3814309,7.15
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL3814242,7.47
+Nc1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL3813924,7.19
+NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL3814487,7.22
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(F)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382403,7.47
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)cc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382401,7.08
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382402,7.32
+CCC(Sc1nc(=O)c(C#N)c(-c2cccc(OC)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382405,7.49
+N#Cc1c(-c2ccc(Cl)cc2)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1=O,CHEMBL2382337,7.23
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,7.32
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,6.74
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,6.65
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,6.57
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,6.72
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,6.74
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,6.66
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,6.74
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,6.61
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,6.6
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,CHEMBL325041,5.89
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1,CHEMBL1383680,6.67
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1,CHEMBL1433252,7.5
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3828667,7.4
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3828207,6.82
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3828598,7.38
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3828641,6.98
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(I)cc3c2=O)cc1,CHEMBL3828520,7.46
+Cc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827381,6.53
+Cc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828646,5.53
+Cc1cc(C)c2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3828605,5.85
+COc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827651,6.82
+COc1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3828241,7.55
+COc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828573,7.37
+COc1cc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC,CHEMBL3827113,6.17
+COc1cc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3827090,6.57
diff --git a/chembl_200/CHEMBL262.csv b/chembl_200/CHEMBL262.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9a3c00ffe00ceefb399f25eed846ee9e2ad9fd2e
--- /dev/null
+++ b/chembl_200/CHEMBL262.csv
@@ -0,0 +1,847 @@
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,7.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,8.0
+O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1,CHEMBL322970,7.62
+CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL388978,7.66
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.8
+Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL298445,7.7
+Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nn2n1,CHEMBL182493,7.7
+Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1,CHEMBL182326,8.0
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3ccc(F)cc3)nn2n1,CHEMBL183064,8.0
+Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nn2n1,CHEMBL361038,7.3
+c1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1,CHEMBL362296,4.72
+Fc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F,CHEMBL185516,4.64
+COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1,CHEMBL180593,7.1
+Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccccc3)nn2n1,CHEMBL364197,7.52
+Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1,CHEMBL186010,7.0
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3ccccc3)nn2n1,CHEMBL361723,7.52
+Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,CHEMBL364539,6.1
+Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,CHEMBL186195,5.8
+Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,CHEMBL184657,6.2
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,CHEMBL189617,6.82
+Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(F)cc3)nn2n1,CHEMBL189459,7.7
+c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL359554,7.86
+CN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1,CHEMBL360866,4.7
+Cc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1,CHEMBL366259,5.22
+COc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL187081,8.0
+CC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL359963,7.52
+CCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL185871,6.92
+CC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL364587,7.3
+COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC,CHEMBL186054,7.96
+Fc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F,CHEMBL364370,8.0
+Clc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1Cl,CHEMBL186890,8.0
+COc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(OC)c1,CHEMBL359999,8.0
+O=c1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2[nH]1,CHEMBL187750,8.0
+COc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL189235,7.3
+CCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL183993,6.72
+CCCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL187287,6.1
+COc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1,CHEMBL188312,7.0
+COc1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3)cnn2n1,CHEMBL365248,7.3
+COc1ccc2c(-c3ccnc(Nc4ccc(C#N)cc4)n3)cnn2n1,CHEMBL189352,7.3
+COc1ccc2c(-c3ccnc(Nc4ccc([N+](=O)[O-])cc4)n3)cnn2n1,CHEMBL186288,7.15
+COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1,CHEMBL188417,6.92
+COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1,CHEMBL187139,6.72
+CCOc1ccc2c(-c3ccnc(Nc4cc(OC)cc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL188426,5.5
+COc1ccc2c(-c3ccnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL188205,6.2
+COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,CHEMBL188785,7.52
+Cc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1,CHEMBL188303,7.3
+COc1cc(Nc2nccc(-c3cnn4nc(C)ccc34)n2)cc(C(F)(F)F)c1,CHEMBL186680,8.0
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,CHEMBL434337,8.0
+FC(F)(F)c1cccc(Nc2nccc(-c3cnn4nc(-c5ccccc5)ccc34)n2)c1,CHEMBL189415,6.82
+c1ccc(-c2ccc3c(-c4ccnc(Nc5ccc6c(c5)OCCO6)n4)cnn3n2)cc1,CHEMBL186606,6.92
+c1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1,CHEMBL360408,8.0
+FC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1,CHEMBL263448,8.0
+Fc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F,CHEMBL439850,8.0
+Fc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1,CHEMBL186476,8.0
+FC(F)(F)c1cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)ccc1Cl,CHEMBL365251,7.7
+Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,CHEMBL186425,7.7
+Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1,CHEMBL189343,7.7
+Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1,CHEMBL186166,7.7
+Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1,CHEMBL189288,7.4
+Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,CHEMBL365297,8.0
+COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,CHEMBL186116,5.3
+COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1,CHEMBL186213,4.5
+COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1,CHEMBL427159,5.1
+COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1,CHEMBL188794,4.51
+COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,CHEMBL188257,5.3
+FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)c1,CHEMBL185910,6.82
+Fc1ccc(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nn4ncccc34)n2)cc1F,CHEMBL184656,6.51
+FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1,CHEMBL362155,7.3
+FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1,CHEMBL187135,6.0
+Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,CHEMBL189148,5.9
+FC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)c1,CHEMBL362086,5.6
+Fc1ccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)cc1F,CHEMBL364646,6.0
+FC(F)(F)c1cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)ccc1Cl,CHEMBL189874,5.4
+Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,CHEMBL186826,6.1
+Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccccc3)nn2n1,CHEMBL434158,7.3
+Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1,CHEMBL434729,7.4
+Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,CHEMBL379218,6.96
+COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL384304,5.1
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,6.8
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.8
+O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL494221,6.64
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1,CHEMBL493169,5.54
+Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL359482,7.66
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL484950,5.99
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.0
+O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1,CHEMBL461262,10.05
+Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)[nH]n1,CHEMBL549536,7.14
+Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL552038,7.62
+Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL550825,6.51
+Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL565205,7.29
+Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL549322,6.77
+Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1,CHEMBL562415,6.9
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1,CHEMBL562416,7.48
+Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1,CHEMBL562157,7.36
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1,CHEMBL564459,7.32
+Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1,CHEMBL551633,8.1
+Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1,CHEMBL561834,6.95
+COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1,CHEMBL551634,6.67
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL552500,6.91
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC,CHEMBL564290,5.93
+Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1,CHEMBL552033,7.17
+CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL549668,7.77
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL564941,5.82
+Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1,CHEMBL564449,5.88
+CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1,CHEMBL560158,6.22
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1,CHEMBL561421,6.47
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,6.6
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.8
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.8
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,8.4
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.5
+COc1cc2c(C)cc3c(c2cc1OC)C(=O)NC3=O,CHEMBL571486,6.59
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.7
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.0
+O=C1NN=C(c2cccnc2)/C1=N/Nc1ccccc1Cl,CHEMBL1080376,6.7
+O=C1NN=C(c2ccncc2)/C1=N/Nc1ccccc1Cl,CHEMBL1080377,6.6
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccc2Cl)c1,CHEMBL1081063,6.07
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccccc2Cl)cc1OC,CHEMBL1081429,7.36
+O=C1NN=C(c2ccccc2)/C1=N/Nc1ccccc1,CHEMBL1081430,7.0
+O=C1NN=C(c2ccccc2)/C1=N/Nc1cccc(Cl)c1,CHEMBL1081431,6.92
+O=C1NN=C(c2ccccc2)/C1=N/Nc1ccc(Cl)cc1,CHEMBL1081432,7.64
+COc1cccc(N/N=C2\C(=O)NN=C2c2ccccc2)c1,CHEMBL1081278,7.46
+COc1ccc(N/N=C2\C(=O)NN=C2c2ccccc2)cc1,CHEMBL1076682,7.7
+COc1ccc(N/N=C2\C(=O)NN=C2c2ccccn2)cc1,CHEMBL1081454,6.19
+COc1ccc(N/N=C2\C(=O)NN=C2c2cccnc2)cc1,CHEMBL1081630,7.7
+COc1ccc(N/N=C2\C(=O)NN=C2c2ccncc2)cc1,CHEMBL1081631,7.52
+COc1ccc(N/N=C2\C(=O)NN=C2c2cccc(OC)c2)cc1,CHEMBL1081632,7.74
+COc1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)cc2)cc1,CHEMBL1081633,8.7
+COc1ccc(N/N=C2\C(=O)NN=C2c2cc(OC)c(OC)c(OC)c2)cc1,CHEMBL1082157,8.05
+COc1ccc(N/N=C2\C(=O)NN=C2c2cnccc2OC)cc1,CHEMBL1079966,8.7
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccc2)c1,CHEMBL1079967,7.41
+COc1cccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)c1,CHEMBL1079968,8.1
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)c1,CHEMBL1076695,8.05
+COc1cccc(N/N=C2\C(=O)NN=C2c2cccc(OC)c2)c1,CHEMBL1081833,8.3
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(C#N)cc2)c1,CHEMBL1082009,8.4
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccn2)c1,CHEMBL1082010,8.1
+COc1cccc(C2=NNC(=O)/C2=N\Nc2cccnc2)c1,CHEMBL1082011,7.52
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccncc2)c1,CHEMBL1082176,7.64
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(C(=O)O)cc2)c1,CHEMBL1082188,8.19
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)c1,CHEMBL1080847,8.05
+COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)c1,CHEMBL1080848,7.23
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1,CHEMBL1076701,8.72
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)cc1,CHEMBL1080849,8.7
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(OC)c2)cc1,CHEMBL1080902,9.1
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,CHEMBL1076721,8.7
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccncc2)cc1,CHEMBL1081069,7.85
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1,CHEMBL1081070,6.96
+CCN(CC)c1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)cc2)cc1,CHEMBL1081071,7.8
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)cc1,CHEMBL1088725,8.1
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1OC,CHEMBL1088011,9.4
+COc1cccc(N/N=C2\C(=O)NN=C2c2ccc(OC)c(OC)c2)c1,CHEMBL1088145,9.4
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1OC,CHEMBL1086601,7.06
+CCN(CC)c1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)c(OC)c2)cc1,CHEMBL1086602,8.7
+COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)cc1OC,CHEMBL1086735,8.52
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,CHEMBL1086736,8.35
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(Cl)cc1,CHEMBL1088021,8.52
+COc1ccccc1N/N=C1\C(=O)NN=C1c1cnccc1OC,CHEMBL1088154,6.57
+COc1cccc(N/N=C2\C(=O)NN=C2c2cnccc2OC)c1,CHEMBL1076755,8.43
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(C#N)cc1,CHEMBL1081102,8.08
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1cccnc1,CHEMBL1081103,7.64
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccncc1,CHEMBL1076552,7.8
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(C(=O)O)cc1,CHEMBL1081446,8.11
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(N2CCOCC2)cc1,CHEMBL1081447,7.3
+O=C1NN=C/C1=N/Nc1ccccc1Cl,CHEMBL1080868,5.83
+CC1=NNC(=O)/C1=N\Nc1ccccc1Cl,CHEMBL1076619,6.34
+O=C1NN=C(c2ccccc2)/C1=N/Nc1ccccc1Cl,CHEMBL1080544,6.14
+O=C1NN=C(c2ccccn2)/C1=N/Nc1ccccc1Cl,CHEMBL1080375,6.19
+Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1078717,5.14
+CCn1c(-c2nonc2N)nc2ccccc21,CHEMBL365286,6.15
+CC(C)n1c(-c2nonc2N)nc2ccccc21,CHEMBL1079208,5.82
+Nc1nonc1-c1nc2ccccc2n1C1CCC1,CHEMBL1079294,6.42
+Nc1nonc1-c1nc2ccccc2n1C1CCCC1,CHEMBL1079295,6.68
+Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,CHEMBL1078929,6.62
+Nc1nonc1-c1nc2ccccc2n1CC1CC1,CHEMBL1078930,6.54
+Nc1nonc1-c1nc2ccccc2n1CC1CCC1,CHEMBL1078820,6.16
+CC(C)Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1079040,6.41
+Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,CHEMBL1078426,6.21
+N#Cc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1,CHEMBL1078538,6.0
+Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1,CHEMBL1079032,5.96
+Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080071,5.68
+COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080072,6.34
+Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1079135,5.49
+Cc1cn(CC(C)C)c(-c2nonc2N)n1,CHEMBL1077670,6.16
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,6.1
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.4
+CCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682335,5.69
+OCCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682337,5.28
+c1cc2n[nH]cc2cc1-n1cc(C2CC2)nn1,CHEMBL1682338,5.46
+c1cc2n[nH]cc2cc1-n1cc(C2CCCC2)nn1,CHEMBL1682339,5.89
+c1cc2n[nH]cc2cc1-n1cc(CC2CCCCC2)nn1,CHEMBL1682340,6.05
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,6.27
+c1ccc(CCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682342,6.35
+c1ccc(CCCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682343,6.28
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,6.35
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.58
+Clc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682347,7.35
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682348,7.64
+Clc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682349,6.71
+Fc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682350,7.04
+Fc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682351,7.59
+Fc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682352,7.15
+Cc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682353,7.15
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1Cl,CHEMBL1682354,7.32
+Clc1ccc(Cl)c(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682355,7.8
+Clc1cc(Cl)cc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682356,7.55
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.12
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,6.575
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.6
+CNC(=O)c1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1681795,5.37
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.42
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,7.025
+c1ccc(-c2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682541,8.0
+Cc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682542,5.54
+Nc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682543,5.35
+CCNc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682544,5.41
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.37
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)c(-c3ccccc3)s2)cc1,CHEMBL1682549,5.47
+c1ccn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2c1,CHEMBL1682550,5.58
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.585
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,7.76
+Clc1ccc(Nc2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682555,6.92
+c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2s1,CHEMBL1682556,6.19
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.7
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.7
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,7.6
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,6.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.7
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,6.8
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.3
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.7
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,6.2
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.2
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,5.4
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.3
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,7.0
+Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,CHEMBL2001646,5.7
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.1
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.6
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.8
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,8.3
+COc1ccccc1C(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1997643,8.3
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.9
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.0
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.0
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.3
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,5.5
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,7.1
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.8
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,6.5
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,5.7
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.2
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.6
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,5.8
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,7.0
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,5.7
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.8
+O=c1cc(-c2ccc(F)cc2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004443,6.3
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,5.4
+Cc1[nH]nc2c1C(c1ccccc1I)C(C#N)C(=N)O2,CHEMBL1979318,5.5
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,5.6
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.3
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,7.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,5.2
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,7.1
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,5.2
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,6.0
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,7.3
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.2
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.7
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,7.0
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,6.2
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.7
+CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1,CHEMBL1992732,7.4
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,6.7
+O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,CHEMBL2003482,6.7
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.1
+COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1964340,6.9
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.3
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.4
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(OC(F)F)ccc12,CHEMBL1981215,7.9
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.6
+CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1967662,7.5
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.9
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1,CHEMBL1979855,5.9
+CCNc1nc2cc(Cl)c(OC)cc2nc1NCC,CHEMBL1995927,6.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)ccc(F)c12,CHEMBL2001987,8.1
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,8.5
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,6.1
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,6.4
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,7.0
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.3
+Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1,CHEMBL1991143,5.5
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.6
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,7.2
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,6.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.3
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.2
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,7.3
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,6.6
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,6.0
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,6.6
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,7.0
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.2
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.6
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.5
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.5
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,8.2
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,5.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.3
+Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1971149,5.7
+CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1,CHEMBL1994040,5.2
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.5
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.7
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.3
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.8
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.5
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1976093,5.2
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.7
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,6.8
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.7
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.8
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,6.8
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,6.4
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,8.1
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,8.1
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,6.0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.8
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,6.1
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.5
+CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1,CHEMBL1969221,7.6
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.9
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,6.5
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,6.3
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,6.9
+CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1969920,7.4
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.4
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,6.0
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.7
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.7
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,7.0
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.4
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,6.4
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,5.2
+Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccncc2)c1,CHEMBL1999496,6.4
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.4
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.7
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.2
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,5.8
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,6.2
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.2
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.8
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.9
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.8
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.5
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.8
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,7.4
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,6.3
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.1
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,5.5
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,6.3
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.7
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.9
+CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,CHEMBL1998477,5.9
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.9
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.8
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.7
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.9
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.5
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.4
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,5.7
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.5
+NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,CHEMBL1971951,6.0
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.6
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.95
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,6.7
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.1
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,6.6
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.8
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,7.0
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,6.0
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.7
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.2
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,5.6
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.6
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,7.6
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.5
+OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,CHEMBL2002373,5.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.9
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,8.1
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,7.0
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.5
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,6.7
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,7.5
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.9
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,6.6
+N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1,CHEMBL1999718,8.4
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.9
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,7.0
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,6.8
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.2
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.1
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.3
+CC1c2cccn2CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1,CHEMBL2003119,5.5
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.2
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.7
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,5.6
+O=c1cc(-c2cccc(F)c2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004156,5.7
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.6
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.0
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,6.2
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,7.7
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.6
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,5.8
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,6.2
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,6.1
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.5
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,6.6
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,5.3
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.3
+O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,5.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCC(O)CO,CHEMBL1981045,6.2
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.5
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,4.5
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,5.4
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.2
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.8
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.1
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,6.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL2004072,6.2
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.9
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.5
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.9
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,5.9
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.0
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.7
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,6.6
+O=C1NC(=O)C(Nc2ccccc2)=C1Cl,CHEMBL2007138,6.0
+CC(C)Nc1[nH]nc2ccc(N)cc12,CHEMBL1995391,6.1
+Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,CHEMBL1980592,6.2
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.7
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.8
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.2
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.2
+O=C(Nc1ccccc1)Nc1nccs1,CHEMBL1487428,5.0
+O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,CHEMBL2003637,7.4
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,7.8
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,7.0
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.1
+N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,CHEMBL1980802,5.2
+CCc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1986756,7.5
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,CHEMBL1419458,5.4
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,6.3
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.8
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.1
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.5
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,5.5
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,7.1
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.1
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.8
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,8.6
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,4.1
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.9
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.6
+O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,8.0
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,8.4
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.9
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.8
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.8
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.9
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.4
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,7.0
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.7
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,6.4
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.0
+NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12,CHEMBL1624529,7.5
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.2
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.7
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.5
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.5
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,6.4
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.3
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.9
+O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)[nH][nH]c-2n1,CHEMBL1230164,5.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.6
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,8.5
+COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N,CHEMBL1999778,5.6
+CCCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1987430,8.2
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.6
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,6.2
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,5.2
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.9
+O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,6.7
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.5
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,5.3
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.1
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.3
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.7
+COc1ccc(OC)c(CNC(=O)c2cc(N)c(C#N)c(OC(C)C)n2)c1,CHEMBL1982541,5.8
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,5.2
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,6.8
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.1
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.4
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.6
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.5
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.3
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.7
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,6.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,5.7
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.4
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.1
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.3
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.0
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,7.0
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.0
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,5.3
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,8.4
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.5
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.6
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.5
+CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1,CHEMBL1890036,5.7
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.6
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,CHEMBL1971606,5.6
+CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,CHEMBL1999279,6.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.9
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cc(F)cc12,CHEMBL1967336,7.6
+Cc1ccc(Nc2c(C(=O)O)n(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C)c23)cc1,CHEMBL1978645,5.4
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.3
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.3
+Cc1[nH]nc2c1C(c1ccccc1F)C1C(=O)CC(C)(C)CC1=N2,CHEMBL1966703,7.7
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,7.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.8
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,8.2
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.3
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.9
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.1
+Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,CHEMBL1981511,6.2
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,7.2
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,5.7
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.5
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,8.0
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,6.4
+CCOC(=O)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1990708,6.5
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.4
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21,CHEMBL1977604,5.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.1
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,6.6
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.1
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,7.0
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.9
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1,CHEMBL1968127,5.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,8.6
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.2
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,6.5
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,6.3
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,7.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.3
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,8.4
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.3
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.5
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.4
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,7.2
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.6
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,5.7
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,6.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,8.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.4
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.3
+O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,CHEMBL226232,6.1
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,7.1
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.8
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,8.1
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.3
+NC1CCCCC1Nc1nccc(Nc2ccccc2C(=O)O)n1,CHEMBL1985153,5.2
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.4
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,6.9
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,7.2
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,6.2
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,7.0
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,7.0
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,7.4
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.4
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.6
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.1
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.7
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,5.5
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,7.6
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.9
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.4
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.4
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,6.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.4
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,7.5
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,6.2
+C(=Cc1cncc(OCCc2c[nH]c3ccccc23)c1)c1ccncc1,CHEMBL1996282,5.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.5
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.5
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,6.8
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.5
+CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,CHEMBL1978014,7.5
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,8.6
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,7.8
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.6
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,7.6
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,6.4
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,5.6
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.2
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,6.8
+c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,CHEMBL213207,6.9
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.2
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.6
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.7
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,6.7
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,8.0
+FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1999153,7.9
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.3
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,8.2
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.5
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.6
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,6.3
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.4
+COc1ccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)cc1,CHEMBL1992536,7.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,5.9
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.2
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,6.9
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.3
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,7.9
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,8.1
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.4
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.6
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.2
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.5
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.4
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.5
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.1
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,7.5
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.2
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.3
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,6.1
+COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2006299,5.7
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.0
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.1
+CC(=O)Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2006609,5.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,7.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.9
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.4
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.5
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,6.5
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,6.1
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.2
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.3
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,7.7
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.3
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.3
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,7.4
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.4
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,5.9
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.8
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.8
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,5.6
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.2
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.3
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.0
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,5.9
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.4
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.1
+Cc1[nH]nc2c1C(c1ccccc1Br)C(C#N)C(=N)O2,CHEMBL2005214,5.4
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.8
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,7.1
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,7.4
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2003514,5.8
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,5.5
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.3
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.4
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,6.8
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.9
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.8
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,6.6
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,6.7
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.4
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.0
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.6
+O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,5.9
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.6
+Nc1ncnc2sccc12,CHEMBL1972934,4.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.9
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL2001477,5.8
+Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL316264,6.2
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.8
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,6.4
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.5
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,8.1
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.3
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,7.5
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.8
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,5.5
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.7
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.5
+CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL2007375,7.4
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,8.4
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,7.0
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.9
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,6.7
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.4
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,7.0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1980142,8.2
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,7.1
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.4
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.0
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.4
+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,7.6
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.8
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,5.6
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.6
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.2
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,7.2
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,8.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.9
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.7
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,8.7
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.7
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.9
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,6.0
+CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12,CHEMBL1990541,5.4
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,5.9
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,6.2
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.5
+O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1,CHEMBL1970950,5.9
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.7
+CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,CHEMBL2006674,5.9
+O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,8.1
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,6.6
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.3
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.7
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,5.6
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.5
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,8.2
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,7.4
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,6.8
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.7
+Oc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1,CHEMBL2163771,8.0
+Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12,CHEMBL2163770,5.8
+Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O,CHEMBL2163769,5.24
+COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1,CHEMBL2163774,7.7
+Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1,CHEMBL2163772,7.7
+Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1,CHEMBL1165662,5.24
+COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,CHEMBL183408,4.83
+COCCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,CHEMBL2177180,7.66
+COCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,CHEMBL2177179,7.05
+COc1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1,CHEMBL2177178,7.13
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ncns4)n3)cc2)CC1,CHEMBL2177177,9.0
+COc1ccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)cc1,CHEMBL2177176,6.16
+COc1ccccc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,CHEMBL2177175,7.92
+CN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N,CHEMBL2177174,9.32
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4CN4CCCC4)n3)cc2)CC1,CHEMBL2177173,9.66
+CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)Nc4cccnc4)n3)cc2)CC1,CHEMBL2177172,6.43
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1,CHEMBL2177171,7.19
+CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1,CHEMBL2177170,6.92
+CN(C)CCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,CHEMBL2177169,7.8
+CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,CHEMBL2177168,8.51
+CCN(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,CHEMBL2177167,8.08
+CN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,CHEMBL2177166,7.7
+Nc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C(=O)Nc1cccnc1,CHEMBL2177165,9.17
+Nc1ncc(-c2ccc(S(N)(=O)=O)cc2)nc1C(=O)Nc1cccnc1,CHEMBL2177164,7.92
+Nc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1,CHEMBL2177163,9.4
+Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(=O)Nc1cccnc1,CHEMBL2177162,8.36
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,CHEMBL2177161,8.31
+Nc1ncc(-c2ccc(OCCN3CCCCC3)cc2)nc1C(=O)Nc1cccnc1,CHEMBL2177160,7.74
+COCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,CHEMBL2177159,8.7
+Cc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,CHEMBL2177158,8.2
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2F)CC1,CHEMBL2177157,8.05
+Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1,CHEMBL2177156,8.82
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(C(F)(F)F)c2)CC1,CHEMBL2177155,8.96
+Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1,CHEMBL2182002,9.34
+CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(F)c2)CC1,CHEMBL2182001,8.89
+CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N)c(C(=O)Nc3cccnc3)n2)CC1,CHEMBL2182000,6.52
+CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c2)CC1,CHEMBL2181999,7.13
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.99
+Clc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1,CHEMBL2322677,7.24
+COc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O,CHEMBL3217793,5.27
+CNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,CHEMBL3221392,5.05
+CCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,CHEMBL3221394,5.36
+NCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,CHEMBL3221395,5.32
+O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3318007,5.8
+COCCN1CCC(CNC(=O)c2[nH]nc3ccc(-c4cccc(F)c4F)cc23)CC1,CHEMBL3735506,7.82
+COc1ccc2n[nH]c(C(=O)NCC3CCN(CCC(=O)O)CC3)c2c1,CHEMBL3735293,6.22
diff --git a/chembl_200/CHEMBL264.csv b/chembl_200/CHEMBL264.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4c9c4a8fe2097457e7f8f8c07f927b4db47edbe6
--- /dev/null
+++ b/chembl_200/CHEMBL264.csv
@@ -0,0 +1,2914 @@
+N[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL13795,8.03
+N=C(N)SCCc1cnc[nH]1,CHEMBL19439,8.958
+NCC[C@@H]1C[C@@H]1c1cnc[nH]1,CHEMBL60716,8.89
+N[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL13559,7.17
+NCCCCCCc1cnc[nH]1,CHEMBL554031,8.0
+C=C(c1cnc[nH]1)C1CCNCC1,CHEMBL152936,8.4
+c1ncc(CCC2CCNCC2)[nH]1,CHEMBL150701,7.7
+c1ncc(C[C@H]2CCNC2)[nH]1,CHEMBL440730,8.28
+c1ncc(CCCC2CCCNC2)[nH]1,CHEMBL154529,7.08
+c1ncc(CCCC2CCCCN2)[nH]1,CHEMBL152948,7.03
+NCCCc1cnc[nH]1,CHEMBL91353,7.305
+C(=C1CCNCC1)c1cnc[nH]1,CHEMBL356666,8.215
+NCCCCc1cnc[nH]1,CHEMBL90019,8.39
+O=C(c1cnc[nH]1)C1CCNCC1,CHEMBL345954,5.41
+c1ncc(C[C@@H]2CCNC2)[nH]1,CHEMBL153051,8.85
+NCCCCCc1cnc[nH]1,CHEMBL417096,8.297
+c1ncc(CC2CCCCN2)[nH]1,CHEMBL150703,5.94
+C1=C(c2cnc[nH]2)CCNC1,CHEMBL150243,5.37
+c1ncc(C2CCNCC2)[nH]1,CHEMBL358028,6.06
+c1ncc(CC2CCNC2)[nH]1,CHEMBL153061,8.44
+c1ncc(CC2CCCNC2)[nH]1,CHEMBL151467,7.17
+c1ncc(CCC2CCCNC2)[nH]1,CHEMBL153207,6.74
+c1ncc(CC2CCNCC2)[nH]1,CHEMBL18661,9.366
+NCC1CC1c1cnc[nH]1,CHEMBL153284,7.45
+c1ncc(CCCC2CCNCC2)[nH]1,CHEMBL78498,8.35
+C#CC(C)(C)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1,CHEMBL2447985,7.05
+CCC(C)(C)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1,CHEMBL2447986,9.27
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+CC(C)CCc1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1,CHEMBL158714,8.07
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL158659,8.07
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4cncs4)n3)c(F)c2)CC1,CHEMBL161232,6.62
+C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL158532,7.44
+C[C@@H](N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CC4)n3)c(F)c2)CC1,CHEMBL161646,6.62
+CCOCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL423070,7.0
+C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL161376,6.89
+COc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1,CHEMBL351918,7.96
+C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL346711,7.62
+Cc1ccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn2c1,CHEMBL299356,7.55
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1,CHEMBL49532,8.7
+c1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1,CHEMBL52160,7.89
+Cc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12,CHEMBL294962,8.7
+c1ccc(CCc2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1,CHEMBL299192,7.43
+CCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12,CHEMBL51462,8.3
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1,CHEMBL48523,7.4
+Cc1cccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc12,CHEMBL51873,7.4
+c1ccc(-c2cc3ccccn3c2)c(OCCCN2CCCCC2)c1,CHEMBL49723,6.63
+c1ccc(-c2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1,CHEMBL299075,7.4
+c1cc(OCCCN2CCCCC2)cc(-c2cc3ccccn3c2)c1,CHEMBL300716,6.51
+CCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12,CHEMBL49919,7.72
+Cc1cc(OCCCN2CCCCC2)ccc1-c1cc2ccccn2c1,CHEMBL299223,6.82
+c1ccn2nc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1,CHEMBL49156,7.96
+c1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1,CHEMBL48512,7.33
+CS(=O)(=O)n1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccc21,CHEMBL51877,7.8
+Cc1cccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn12,CHEMBL51418,7.34
+Cc1cc(OCCCN2CCCCC2)ccc1-c1cn2ccccc2c1C,CHEMBL51123,7.96
+Cc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12,CHEMBL50138,7.8
+c1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1,CHEMBL48982,8.22
+CC1CCCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL161130,8.52
+CC1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161781,9.02
+N#Cc1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1,CHEMBL161825,8.06
+N#Cc1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1,CHEMBL161133,7.995
+O=C(c1ccc(-c2ccc3oc(CCN4CC[C@@H](O)C4)cc3c2)cc1)N1CCOCC1,CHEMBL2112921,8.21
+N#Cc1ccc(-c2ccc3oc(CCn4ccnc4)cc3c2)cc1,CHEMBL162536,6.22
+N#Cc1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)cc1,CHEMBL350007,8.11
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@H]4CO)cc3c2)cc1,CHEMBL160113,8.655
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL422893,9.15
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL161142,7.91
+O=C(c1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CO)cc3c2)nc1)N1CCOCC1,CHEMBL159343,7.44
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL350639,8.23
+O=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL422360,8.405
+O=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)nc1)N1CCOCC1,CHEMBL436237,6.825
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CC(=O)O)cc3c2)cc1,CHEMBL158774,6.495
+N#Cc1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)cc1,CHEMBL161624,8.055
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL159617,8.655
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)cc1)N1CCOCC1,CHEMBL346562,8.46
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1)N1CCOCC1,CHEMBL159565,8.64
+CC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3o2)CC1,CHEMBL159463,7.06
+N#Cc1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)cc1,CHEMBL439645,8.375
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL159519,8.92
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL159087,9.26
+CN(C)[C@@H]1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)C1,CHEMBL159648,7.8
+CN(C)[C@H]1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)C1,CHEMBL159281,7.31
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161796,8.29
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL162591,8.62
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CO)cc3c2)cc1,CHEMBL159282,7.745
+CC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc3o2)CC1,CHEMBL158164,7.765
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL159858,7.8
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL159476,8.25
+O=C(c1ccc(-c2ccc3oc(CCN4CCC[C@H]4CO)cc3c2)cc1)N1CCOCC1,CHEMBL345588,8.72
+O=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1,CHEMBL161101,8.23
+O=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1,CHEMBL159913,7.925
+CC1CCCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161534,8.235
+O=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)cc1)N1CCOCC1,CHEMBL161198,7.35
+CC1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)CC1,CHEMBL158740,7.82
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1,CHEMBL308142,5.485
+Cc1cccn2cc(-c3ccc(OCCCN4CCOCC4)cc3)nc12,CHEMBL70756,7.1
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3C)nc2c1,CHEMBL112621,8.7
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cc(Br)ccc3n2)cc1,CHEMBL70946,5.54
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(O)c3n2)cc1,CHEMBL70383,5.82
+Cc1cccn2cc(-c3ccc(OCCCN(C)C)cc3)nc12,CHEMBL70944,7.89
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc([N+](=O)[O-])c3n2)cc1,CHEMBL71047,4.96
+CCCN(CCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1,CHEMBL306911,7.37
+Cc1ccn2cc(-c3ccc(CCCCN4CCCCC4)cc3)nc2c1,CHEMBL110015,7.77
+Cc1cccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc12,CHEMBL72022,8.52
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1OC,CHEMBL71693,5.77
+CCCCN(CCCC)CCCOc1c(OC)cc(-c2cn3cccc(C)c3n2)cc1OC,CHEMBL71530,5.48
+Cc1ccn2cc(-c3ccc(/C=C/CCN4CCCCC4)cc3)nc2c1,CHEMBL326718,7.66
+CCCCN(CCCC)CCCOc1ccc(-c2nc3c(C)cccn3c2C)cc1,CHEMBL445619,6.06
+COc1cc(-c2cn3ccc(C)cc3n2)ccc1OCCCN1CCCCC1,CHEMBL112912,7.16
+Cc1ccn2cc(-c3ccc(C#CCCN4CCCCC4)cc3)nc2c1,CHEMBL111930,8.15
+CCCCN(CCCC)CCCOc1ccc(-c2cn3c(C)cc(C)cc3n2)cc1,CHEMBL113145,5.7
+Cc1cccn2cc(-c3ccc(OCCCNCc4ccccc4)cc3)nc12,CHEMBL112647,5.27
+Cc1cccn2cc(-c3ccc(OCCCN(C(C)c4ccccc4)C(C)c4ccccc4)cc3)nc12,CHEMBL112163,5.4
+Cc1cccn2cc(-c3ccc(OCCCn4ccnc4)cc3)nc12,CHEMBL421680,6.0
+Cc1cc(-c2cn3ccccc3n2)ccc1OCCCN1CCCCC1,CHEMBL431083,7.55
+CCCCN(CCCC)CCCOc1ccc(-c2cn3c(C)cccc3n2)cc1,CHEMBL70313,5.54
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)c(C)c1,CHEMBL70874,5.38
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3n2)cc1,CHEMBL310907,5.72
+Cc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12,CHEMBL325465,6.3
+CCCCN(CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1,CHEMBL71352,5.89
+Cc1cccn2cc(-c3ccc(NCCCN4CCCCC4)cc3)nc12,CHEMBL113236,7.82
+CCCCCN(CCCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1,CHEMBL70945,5.1
+CCCCN(CCCC)CCCOc1ccc(-c2cn3ccc(C)cc3n2)cc1,CHEMBL71248,5.96
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3F)nc2c1,CHEMBL113551,8.0
+Cc1cccn2cc(-c3ccc(NC(=O)CCN4CCCCC4)cc3)nc12,CHEMBL114231,6.52
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1,CHEMBL114470,5.32
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(OCc4ccccc4)c3n2)cc1,CHEMBL302591,5.62
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3)nc2c1,CHEMBL112011,8.22
+CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1C,CHEMBL71476,5.1
+Cc1ccn2cc(-c3ccc(OCCCN4CCCC4)cc3)nc2c1,CHEMBL324650,8.3
+CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL65849,8.01
+CCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39369,6.77
+CC(=O)c1ccc(COCCCc2cnc[nH]2)cc1,CHEMBL39705,7.06
+COc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL288125,6.92
+Cc1cccc(OCc2ccc(CN3CCCCC3)cc2)c1,CHEMBL34844,6.48
+c1cn(-c2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cn1,CHEMBL38123,7.57
+Cc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1C,CHEMBL36590,6.83
+C(=C/c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)\c1ccccc1,CHEMBL289935,6.12
+CCN(CC)Cc1ccc(COc2ccc(C(C)=O)cc2)cc1,CHEMBL544242,7.04
+c1cc(CN2CCCCC2)ccc1COc1ccc(CN2CCCCC2)cc1,CHEMBL416053,8.55
+c1ccc(Cc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL39980,6.62
+O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CCCC1,CHEMBL39951,6.8
+CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39603,7.08
+C/C(=N\O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39716,7.26
+Brc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL285060,6.94
+Ic1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL289641,6.97
+Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL290712,6.91
+Cc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl,CHEMBL36630,7.38
+Cc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL441780,6.9
+FC(F)(F)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL38207,6.9
+O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CC1,CHEMBL284528,7.18
+c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL40005,6.64
+CCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL38378,6.59
+CCCOc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL36549,7.06
+Fc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39791,6.91
+CC(C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39846,6.6
+c1cc(CN2CCCCC2)ccc1COc1ccc2c(c1)CCC2,CHEMBL37709,7.06
+c1ccc(NCc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL288431,7.05
+CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1,CHEMBL544243,7.43
+CCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL39644,6.79
+c1ccc(COc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL37997,6.26
+CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1,CHEMBL290613,7.59
+c1ccc(CCc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL415878,6.05
+c1ccc(Oc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL36548,6.28
+c1cc(CN2CCCCC2)ccc1COc1ccc(C2CCCC2)cc1,CHEMBL37737,6.7
+Fc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl,CHEMBL39956,7.02
+c1cc(CN2CCCCC2)ccc1COc1ccc2c(c1)CCCC2,CHEMBL417888,7.04
+CO/N=C(\C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL35869,6.89
+Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1Cl,CHEMBL417156,6.78
+CCCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1,CHEMBL38149,5.95
+CC(C)(C)CCCOCCCc1cnc[nH]1,CHEMBL130958,8.27
+C[C@@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL1788227,8.17
+CC(CC(C)(C)C)OCCCc1cnc[nH]1,CHEMBL128714,6.92
+CC(NC(=O)OCCCc1cnc[nH]1)C1CC1,CHEMBL419975,7.7
+C[C@@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1,CHEMBL1788247,8.01
+CC(NC(=O)OCCCc1cnc[nH]1)C1CCCCC1,CHEMBL128677,7.8
+CC(C)(C)CCCCOCCCc1cnc[nH]1,CHEMBL131117,7.85
+C[C@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL2092970,7.85
+CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1,CHEMBL128635,8.22
+CC(C)(C)CCOCCCc1cnc[nH]1,CHEMBL110098,7.96
+O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1,CHEMBL340932,8.09
+CC(C)(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL128773,7.11
+O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1,CHEMBL289855,7.41
+c1cc(OCCCN2CCCCC2)ccc1CNC1CCCCC1,CHEMBL129411,9.29
+c1cc(OCCN2CCCCC2)ccc1CN1CCCCC1,CHEMBL126904,8.05
+CN(C)CCOc1ccc(CN2CCCCC2)cc1,CHEMBL337942,8.41
+c1cc(OCCCN2CCCCC2)ccc1CN1CCOCC1,CHEMBL339867,9.06
+OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL129306,9.163
+c1ccc(Cc2cnc[nH]2)nc1,CHEMBL81644,5.985
+c1ccc(CCc2cnc[nH]2)nc1,CHEMBL310360,5.93
+c1cc(CCCc2cnc[nH]2)ccn1,CHEMBL309654,7.81
+c1cncc(CCCc2cnc[nH]2)c1,CHEMBL78497,7.48
+c1ccc(CCCc2cnc[nH]2)nc1,CHEMBL79126,5.98
+c1cncc(Cc2cnc[nH]2)c1,CHEMBL78838,7.2
+c1cncc(CCc2cnc[nH]2)c1,CHEMBL82244,6.85
+c1cc(Cc2cnc[nH]2)ccn1,CHEMBL82298,9.095
+c1cc(CCc2cnc[nH]2)ccn1,CHEMBL311473,8.16
+c1ncc(CCC2CCCCN2)[nH]1,CHEMBL150512,5.55
+c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,CHEMBL274041,9.11
+c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3,CHEMBL15056,9.49
+Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,CHEMBL14587,9.3
+c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3,CHEMBL14868,8.7
+c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,CHEMBL276938,9.29
+c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,CHEMBL14484,8.81
+c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3,CHEMBL14754,8.875
+Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,CHEMBL14364,10.085
+CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL105515,8.67
+N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1,CHEMBL106596,7.52
+N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL106483,7.44
+CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL102984,8.15
+N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1,CHEMBL421026,7.82
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,CHEMBL320178,6.0
+CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,CHEMBL323562,7.86
+CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL322873,8.77
+CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL106545,8.07
+N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1,CHEMBL105967,8.08
+N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1,CHEMBL105594,6.93
+N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1,CHEMBL102416,6.91
+C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL2112461,8.39
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1,CHEMBL101692,6.0
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL319000,8.48
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL105762,9.17
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL283313,9.11
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4C)cc3)cc2)CC1,CHEMBL433031,8.43
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282062,8.09
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL25290,6.64
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)C1,CHEMBL2113223,8.54
+CC(C)NC(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL25519,9.07
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)cc2)cc1,CHEMBL281640,8.32
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3CCCC3C)cc2)cc1,CHEMBL24921,8.01
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,CHEMBL27501,9.16
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)NC(C)C)cc2)cc1,CHEMBL24468,8.21
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1,CHEMBL25685,8.46
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL27933,9.01
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL25126,7.43
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)cc2)CC1,CHEMBL27115,7.97
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4[C@@H](C)CC[C@@H]4C)cc3)cc2)CC1,CHEMBL24863,9.22
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL28271,7.61
+CC(C)N(C)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282685,8.09
+O=C(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCCC1,CHEMBL26880,8.95
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@H](O)C4)cc3)cc2)CC1,CHEMBL24865,8.16
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCCC3C)cc2)cc1,CHEMBL279463,8.67
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@@H](N(C)C)C4)cc3)cc2)CC1,CHEMBL2113224,8.41
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL24352,7.79
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1,CHEMBL27444,8.44
+CC(C)NC(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL27343,7.41
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL282903,8.29
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCNC(C)C)cc2)cc1,CHEMBL284320,6.96
+CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL278462,8.535
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27697,8.62
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL25501,8.08
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1,CHEMBL2113222,8.26
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,CHEMBL27665,8.52
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)NC(C)C)cc3)cc2)CC1,CHEMBL25342,8.68
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL24126,7.49
+O=C(c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1)N1CCOCC1,CHEMBL24198,8.21
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282016,7.95
+O=C(c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1)N1CCCC1,CHEMBL27339,8.19
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL27835,8.19
+N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,CHEMBL25688,8.14
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL280590,9.11
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL436340,8.36
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3)cc2)CC1,CHEMBL25205,8.33
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL280895,8.16
+O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)N1CCCC1,CHEMBL281287,7.39
+O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)N1CCOCC1,CHEMBL24847,7.74
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCNC(C)C)cc3)cc2)CC1,CHEMBL283451,6.74
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1,CHEMBL27209,8.14
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)CC1,CHEMBL27545,7.63
+NC[C@H]1C=C[C@@H](c2cnc[nH]2)O1,CHEMBL107877,4.7
+c1ccc(COC[C@@H]2CC[C@@H](c3cnc[nH]3)O2)cc1,CHEMBL322256,4.99
+c1ccc(COC[C@H]2CC[C@H](c3cnc[nH]3)O2)cc1,CHEMBL105803,6.605
+NC[C@@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106931,6.68
+c1ccc(COC[C@@H]2CC[C@H](c3cnc[nH]3)O2)cc1,CHEMBL320331,6.49
+NC[C@H]1C=C[C@H](c2cnc[nH]2)O1,CHEMBL109130,5.99
+C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL106158,5.175
+NC[C@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106913,5.785
+C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106570,4.715
+c1ccc(COC[C@H]2CC[C@@H](c3cnc[nH]3)O2)cc1,CHEMBL1632410,5.18
+C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL108649,5.095
+NC[C@@H]1C=C[C@@H](c2cnc[nH]2)O1,CHEMBL319658,5.6
+C/N=C(\NC#N)NC[C@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL321860,5.672999999999999
+NC[C@@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL321920,5.695
+NC[C@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL106612,6.62
+NC[C@@H]1C=C[C@H](c2cnc[nH]2)O1,CHEMBL320279,4.94
+CN(C)CCCCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL291830,7.36
+CN(C)CCC#Cc1c2c(nc3ccccc13)CCCCC2,CHEMBL66880,6.41
+CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@@H]21,CHEMBL305248,7.33
+CN1CCN(CCCNc2c3c(nc4ccccc24)CCCCC3)CC1,CHEMBL67495,7.29
+C(=C\c1c2c(nc3ccccc13)CCCCC2)\CCN1CCCCC1,CHEMBL66437,7.06
+C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCC1,CHEMBL65311,6.67
+C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCCC1,CHEMBL66832,6.36
+C(#Cc1c2c(nc3ccccc13)CCCCCC2)CCN1CCCCC1,CHEMBL69752,6.8
+N[C@H]1[C@@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@H]12,CHEMBL68547,7.35
+c1ccc2c(NCCCN3CCOCC3)c3c(nc2c1)CCCCC3,CHEMBL67496,6.12
+CC(=O)N(CCCN(C)C)c1c2c(nc3ccccc13)CCCCC2,CHEMBL67518,6.0
+OC[C@H]1CCN(CCC#Cc2c3c(nc4ccccc24)CCCCC3)C1,CHEMBL68176,6.02
+CN(C)CCCNc1c2c(nc3ccccc13)CCSC2,CHEMBL419993,7.27
+CN(C)CCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL66336,7.32
+CN1CCN(CCC#Cc2c3c(nc4ccccc24)CCCCC3)CC1,CHEMBL65797,6.14
+OC[C@@H]1CCN(CCC#Cc2c3c(nc4ccccc24)CCCCC3)C1,CHEMBL304737,6.6
+CN(C)CCCNc1c2c(nc3c1CCCC3)CCCCC2,CHEMBL303676,6.8
+CCN(CC)CCCOc1ccc(CN2CCCCC2)cc1,CHEMBL340688,8.91
+c1ccc(CC2CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC2)cc1,CHEMBL340023,8.82
+c1ccc(NCc2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL129820,8.08
+CN1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL126829,8.87
+c1ccc2c(c1)CCC2NCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL126321,9.08
+c1cc(OCCCN2CCOCC2)ccc1CN1CCCCC1,CHEMBL341491,8.64
+c1cc(OCCCC2CCCCC2)ccc1CN1CCCCC1,CHEMBL126495,6.2
+c1ccc2c(c1)CCN(Cc1ccc(OCCCN3CCCCC3)cc1)C2,CHEMBL129785,8.69
+NC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL421624,9.02
+CN1CCN(CCCOc2ccc(CN3CCCCC3)cc2)CC1,CHEMBL128190,7.87
+CN(C)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL339324,9.03
+CCN(CC)CCOc1ccc(CN2CCCCC2)cc1,CHEMBL129133,7.3
+c1cc(OCCCN2CCCCC2)ccc1CC1CCCCC1,CHEMBL339215,7.3
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL318801,7.71
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1,CHEMBL104669,8.08
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1,CHEMBL105267,8.21
+N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1,CHEMBL102452,6.7
+Clc1ccc2c(NCCCCCCCN3CCCCC3)ccnc2c1,CHEMBL15101,8.0
+Clc1ccc2c(NCCCCCCCCCCCCN3CCCCC3)ccnc2c1,CHEMBL14283,7.49
+Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1,CHEMBL15289,8.11
+CN(CCCN1CCCCC1)c1ccnc2ccccc12,CHEMBL14740,6.39
+Clc1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1,CHEMBL14665,7.74
+CN(CCN1CCCCC1)c1c2c(nc3ccccc13)CCCC2,CHEMBL14781,7.11
+c1ccc2c(NCCCCN3CCCCC3)ccnc2c1,CHEMBL14524,7.05
+Cc1cnc2ccccc2c1NCCCCCCN1CCCCC1,CHEMBL14595,8.44
+c1ccc2c(NCCCN3CCCCC3)c3c(nc2c1)CCCC3,CHEMBL275617,7.47
+c1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1,CHEMBL14573,8.12
+Clc1ccc2c(NCCCN3CCCCC3)ccnc2c1,CHEMBL14498,6.42
+Clc1ccc2c(NCCCCCCCCCCN3CCCCC3)ccnc2c1,CHEMBL276305,7.92
+Clc1ccc2c(NCCCCCN3CCCCC3)ccnc2c1,CHEMBL14816,7.59
+CN(CCN1CCCCC1)c1ccnc2ccccc12,CHEMBL14860,6.44
+c1ccc2c(NCCCN3CCCCC3)c3ccccc3nc2c1,CHEMBL277988,6.73
+c1ccc2c(NCCCCCN3CCCCC3)ccnc2c1,CHEMBL15098,7.82
+c1ccc2c(NCCN3CCCCC3)c3c(nc2c1)CCCC3,CHEMBL14657,7.72
+CN(CCCN1CCCCC1)c1c2c(nc3ccccc13)CCCC2,CHEMBL14656,7.3
+CCN(CCCN1CCCCC1)c1ccnc2ccccc12,CHEMBL277113,5.95
+c1ccc2c(NCCCN3CCCCC3)ccnc2c1,CHEMBL14753,7.07
+c1ccc2c(NCCN3CCCCC3)ccnc2c1,CHEMBL280011,6.72
+Clc1ccc2c(NCCCCN3CCCCC3)ccnc2c1,CHEMBL14849,7.09
+c1ccc2c(NCCCCCCN3CCCCC3)c3c(nc2c1)CCCC3,CHEMBL277061,8.74
+Cc1cnc2ccccc2c1NCCCN1CCCCC1,CHEMBL275874,7.15
+O/N=C1\c2ccccc2-c2ccc(OCCN3CCOCC3)cc21,CHEMBL90684,6.49
+CN(C)CCOc1ccc2c(c1)/C(=N/O)c1ccccc1-2,CHEMBL88748,7.4
+CN1CCCCC(Oc2ccc3c(c2)/C(=N/O)c2ccccc2-3)C1,CHEMBL89616,6.96
+O/N=C1/c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL87062,7.19
+CN1CCCC1CCOc1ccc2c(c1)/C(=N/O)c1ccccc1-2,CHEMBL90044,6.51
+CN1CCCC(COc2ccc3c(c2)/C(=N/O)c2ccccc2-3)C1,CHEMBL89165,6.04
+O/N=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL316036,7.35
+CN(C)C1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL92558,6.19
+O/N=C1\c2ccccc2-c2ccc(OCCN3CCCC3)cc21,CHEMBL89224,7.19
+OC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL89604,6.72
+OCC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL89623,6.24
+CN(C)CCCOc1ccc2c(c1)/C(=N/O)c1ccccc1-2,CHEMBL89869,7.32
+CN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL288591,6.39
+CCN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL180478,8.22
+CC(C)N1CCN(c2ccc3ccccc3n2)CC1,CHEMBL360253,8.17
+CCC(CC)N1CCN(c2ccc3ccccc3n2)CC1,CHEMBL360156,8.54
+c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL179578,7.89
+c1ccc2nc(N3CCN(C4CCCC4)CC3)ccc2c1,CHEMBL178608,7.55
+c1ccc2nc(N3CCN4CCCC[C@@H]4C3)ccc2c1,CHEMBL178609,7.74
+Clc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL368701,7.62
+Clc1ccc2ccc(N3CCN(C4CC4)CC3)nc2c1,CHEMBL178962,6.49
+Clc1cc(Cl)c2ccc(N3CCN(C4CC4)CC3)nc2c1,CHEMBL179623,6.52
+COc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL179624,8.52
+FC(F)(F)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL179629,7.28
+N#Cc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL179672,8.32
+c1cc2nc(N3CCN(C4CC4)CC3)ccc2cc1C1CCCCC1,CHEMBL362399,7.48
+c1cnn(-c2ccc3nc(N4CCN(C5CC5)CC4)ccc3c2)c1,CHEMBL360997,8.96
+O=C(c1ccc(F)cc1)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1,CHEMBL179306,6.96
+O=C(c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1)C1CC1,CHEMBL179234,8.74
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2o1,CHEMBL178191,9.28
+Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1F,CHEMBL178192,9.685
+C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL180368,9.16
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1,CHEMBL426603,9.29
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(F)c3)ccc2o1,CHEMBL179539,10.0
+Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1Cl,CHEMBL179372,9.455
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(Cl)c3)ccc2o1,CHEMBL179263,9.715
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2o1,CHEMBL178682,10.06
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3)ccc2o1,CHEMBL362662,9.66
+CC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL178853,10.09
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(C)(C)O)c3)ccc2o1,CHEMBL360885,9.605
+CC(O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL179015,9.36
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(CO)c3)ccc2o1,CHEMBL359462,9.31
+CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL179472,9.64
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1,CHEMBL369502,9.685
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(CO)cc3)ccc2o1,CHEMBL180125,9.06
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C#N)c3)ccc2o1,CHEMBL361801,9.57
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1,CHEMBL178950,9.585
+CC(C)(C)CCC#CC1CC1c1cnc[nH]1,CHEMBL368398,8.67
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL361355,7.02
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL179702,9.39
+Cc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1,CHEMBL368699,9.675
+COc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1,CHEMBL178410,9.28
+CC(C)N1CCC(Oc2ccc(CN(C)C)cc2)CC1,CHEMBL191992,8.52
+CCN(CC)Cc1ccc(OC2CCN(C(C)C)CC2)cc1,CHEMBL191405,8.91
+CCCCN(C)Cc1ccc(OC2CCN(C(C)C)CC2)cc1,CHEMBL439676,8.83
+CC(C)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1,CHEMBL370169,8.71
+CC(C)N1CCC(Oc2ccc(CN3CCCCC3)cc2)CC1,CHEMBL194441,9.2
+CC(C)N1CCC(Oc2ccc(CN3CCCCCC3)cc2)CC1,CHEMBL427177,8.77
+CC(C)N1CCC(Oc2ccc(CN3CCOCC3)cc2)CC1,CHEMBL194092,8.677999999999999
+CC(C)N1CCC(Oc2ccc(CN3CCC(O)CC3)cc2)CC1,CHEMBL193934,8.85
+CC(C)N1CCC(Oc2ccc(CN3CCC(CO)CC3)cc2)CC1,CHEMBL194541,9.0
+CC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1,CHEMBL195099,8.84
+CC(C)N1CCC(Oc2ccc(CNC3CC3)cc2)CC1,CHEMBL195826,8.79
+CC(C)N1CCC(Oc2ccc(CNc3ccccc3)cc2)CC1,CHEMBL194548,8.26
+CC(C)N1CCC(Oc2ccc(CNc3ccccn3)cc2)CC1,CHEMBL372935,8.65
+CC(C)N1CCC(Oc2ccc(CN3CCN(C)CC3)cc2)CC1,CHEMBL372471,9.13
+CC(C)N1CCC(Oc2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1,CHEMBL193861,8.7
+CC(C)N1CCC(Oc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1,CHEMBL194090,8.7
+CC(C)N1CCC(Oc2ccc(CN3CCCN(C)CC3)cc2)CC1,CHEMBL195815,9.0
+CC(C)N1CCC(Oc2ccc(CN(C)CCN(C)C)cc2)CC1,CHEMBL193381,8.94
+N#Cc1ccc(OCCCCCN2CCCC2)cc1,CHEMBL195485,7.72
+C[C@@H]1CCCN1CCc1cc2cc(C#N)ccc2o1,CHEMBL195408,9.35
+CN1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL194071,5.37
+CCN1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL193484,7.09
+CCCN1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL193552,6.97
+CC(C)N1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL370748,7.55
+CC(CO)N1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL193842,6.12
+CCC(C)N1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL195487,7.82
+CC(C)CN1CCC(Oc2ccc(C#N)cc2)CC1,CHEMBL193540,7.18
+N#Cc1ccc(OC2CCN(C3CCCC3)CC2)cc1,CHEMBL383377,7.89
+N#Cc1ccc(OC2CCN(C3CCCCC3)CC2)cc1,CHEMBL193953,7.49
+N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL193541,5.27
+C(=C1CCN(CCc2ccccc2)CC1)c1cnc[nH]1,CHEMBL179479,7.2
+c1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL369096,7.4
+CN1CCC(Cc2cnc[nH]2)CC1,CHEMBL175782,9.0
+CN1CCC(CCc2cnc[nH]2)CC1,CHEMBL175800,7.3
+CN1CCC(=Cc2cnc[nH]2)CC1,CHEMBL179302,8.2
+CCN1CCC(Cc2cnc[nH]2)CC1,CHEMBL176269,7.8
+CCN1CCC(CCc2cnc[nH]2)CC1,CHEMBL176608,7.2
+CCN1CCC(=Cc2cnc[nH]2)CC1,CHEMBL175741,7.3
+CC(C)N1CCC(Cc2cnc[nH]2)CC1,CHEMBL176105,7.2
+CC(C)N1CCC(CCc2cnc[nH]2)CC1,CHEMBL180061,7.0
+CC(C)N1CCC(=Cc2cnc[nH]2)CC1,CHEMBL368774,7.2
+c1ncc(CC2CCN(C3CCCCC3)CC2)[nH]1,CHEMBL176178,7.8
+c1ncc(CCC2CCN(C3CCCCC3)CC2)[nH]1,CHEMBL369158,6.8
+C(=C1CCN(C2CCCCC2)CC1)c1cnc[nH]1,CHEMBL177612,7.5
+c1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL369819,7.3
+c1ccc(CN2CCC(CCc3cnc[nH]3)CC2)cc1,CHEMBL175771,7.1
+C(=C1CCN(Cc2ccccc2)CC1)c1cnc[nH]1,CHEMBL179747,6.4
+c1ccc(CCN2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL179873,8.0
+c1ccc(CCN2CCC(CCc3cnc[nH]3)CC2)cc1,CHEMBL176018,7.4
+CN(C)CCNC(=O)c1nc2ccc(Cl)cc2[nH]1,CHEMBL187210,4.6
+CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1,CHEMBL128613,5.5
+CN1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1,CHEMBL186108,5.6
+CN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1,CHEMBL185842,5.3
+O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1,CHEMBL365257,5.2
+CN1CCC(C(O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL362163,5.8
+CN1CCC(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL186456,5.5
+CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1,CHEMBL292195,7.82
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccccc3[N+](=O)[O-])ccc2o1,CHEMBL194620,9.51
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL198325,9.13
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C(=O)C(F)(F)F)cc3)ccc2o1,CHEMBL380557,9.13
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cccc(C#N)c3)ccc2o1,CHEMBL194418,9.4
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(Cl)nn3)ccc2o1,CHEMBL362952,9.51
+C[C@@H]1CCCN1CCc1cc2cc(CNc3nccnc3C#N)ccc2o1,CHEMBL193607,8.98
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1,CHEMBL371210,9.54
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(Br)cn3)ccc2o1,CHEMBL363645,8.91
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1,CHEMBL197608,9.16
+CCc1cnc(NCc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1,CHEMBL445144,9.48
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1,CHEMBL372546,9.08
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])s3)ccc2o1,CHEMBL424842,9.72
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3[N+](=O)[O-])ccc2o1,CHEMBL199187,9.37
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1,CHEMBL196480,9.15
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(C#N)nc(C#N)c3)ccc2o1,CHEMBL194506,9.89
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1,CHEMBL366183,9.13
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1,CHEMBL198625,9.47
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2o1,CHEMBL196629,9.52
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+](=O)[O-])ccc2o1,CHEMBL371258,9.66
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(C#N)cc3)ccc2o1,CHEMBL196868,9.57
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cccc(C#N)c3)ccc2o1,CHEMBL194857,9.54
+CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1,CHEMBL364222,9.21
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1,CHEMBL198703,9.51
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1,CHEMBL199245,10.1
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1,CHEMBL196467,9.96
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2o1,CHEMBL197747,10.3
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+](=O)[O-])ccc2o1,CHEMBL196294,9.85
+Cc1ccc(C#N)c(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)n1,CHEMBL425023,8.53
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(C(F)(F)F)cn3)ccc2o1,CHEMBL197890,9.27
+O=C(c1cc2ccccc2[nH]1)N1CCNCC1,CHEMBL129660,5.05
+O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1ccc(Cl)cc1,CHEMBL371730,8.77
+O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1cccc(Cl)c1,CHEMBL373000,9.4
+O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1cccc(F)c1,CHEMBL200382,8.72
+CN(C)CCCOc1ccc(CN2CCCCC2)cc1,CHEMBL381717,8.52
+Brc1cc(CN2CCCCC2)cc(Br)c1OCCCN1CCCCC1,CHEMBL201861,8.1
+CN(C)CCCOc1ccc(CN(C)C)cc1,CHEMBL203670,7.74
+CN(C)CCCOc1c(Br)cc(CN(C)C)cc1Br,CHEMBL204113,7.44
+CN(C)CCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL204872,9.3
+CN(C)CCc1ccc(OCCN2CCCCC2)cc1,CHEMBL382429,7.85
+CN(C)CCOc1ccc(CCN(C)C)cc1,CHEMBL203901,7.4
+CN(C)CCCOc1ccc(CCN(C)C)cc1,CHEMBL204377,8.22
+CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br,CHEMBL380697,7.52
+c1ncc(CCCCNC2CCCC2)[nH]1,CHEMBL379447,7.4
+c1ncc(CCCCN2CCCCCC2)[nH]1,CHEMBL205868,7.4
+c1ncc(CCCCN2CCCCC2)[nH]1,CHEMBL205583,7.7
+c1ncc(CCCCN2CCCC2)[nH]1,CHEMBL204360,7.4
+CN(C)CCCCc1cnc[nH]1,CHEMBL206000,8.5
+CCCCNCCCCc1cnc[nH]1,CHEMBL206303,8.2
+CCCNCCCCc1cnc[nH]1,CHEMBL205731,8.1
+CCNCCCCc1cnc[nH]1,CHEMBL204843,7.6
+CC(C)NCCCCc1cnc[nH]1,CHEMBL205732,7.1
+CC(C)CNCCCCc1cnc[nH]1,CHEMBL205559,8.5
+CC(C)(C)NCCCCc1cnc[nH]1,CHEMBL377491,6.2
+CCN(CC)CCCCc1cnc[nH]1,CHEMBL204615,7.0
+c1ncc(CCCCNC2CCCCCC2)[nH]1,CHEMBL202728,7.4
+c1ncc(CCCCNC2CCCCC2)[nH]1,CHEMBL383324,7.5
+Clc1ccc(CNCCCCc2cnc[nH]2)cc1,CHEMBL379027,7.8
+c1ncc(CCCCCN2CCCCCC2)[nH]1,CHEMBL203390,7.8
+c1ncc(CCCCCN2CCCCC2)[nH]1,CHEMBL203389,8.1
+c1ncc(CCCCCN2CCCC2)[nH]1,CHEMBL203228,7.5
+CN(C)CCCCCc1cnc[nH]1,CHEMBL206548,7.8
+CC(C)CNCCCCCc1cnc[nH]1,CHEMBL205834,8.8
+CCCCNCCCCCc1cnc[nH]1,CHEMBL203441,8.4
+CCCNCCCCCc1cnc[nH]1,CHEMBL381074,8.3
+CCNCCCCCc1cnc[nH]1,CHEMBL204413,8.1
+CC(C)NCCCCCc1cnc[nH]1,CHEMBL206451,7.9
+Clc1ccc(CNCCCCCc2cnc[nH]2)cc1,CHEMBL203263,8.6
+c1ncc(CCCCCNC2CCCCCC2)[nH]1,CHEMBL377954,8.5
+c1ncc(CCCCCNC2CCCCC2)[nH]1,CHEMBL206346,8.0
+CCN(CC)CCCCCc1cnc[nH]1,CHEMBL205511,7.2
+c1ncc(CCCCCNC2CCCC2)[nH]1,CHEMBL202744,8.4
+CC(C)(C)NCCCCCc1cnc[nH]1,CHEMBL202638,7.4
+N#Cc1c2ccccc2cn1CCCN1CCCCC1,CHEMBL207921,6.45
+O=[N+]([O-])c1ccc(NCCCCCN2CCCCC2)c2nonc12,CHEMBL206420,7.96
+O=[N+]([O-])c1ccc(NCCCCN2CCCCC2)c2nonc12,CHEMBL206366,6.77
+N#Cc1c2ccccc2cn1CCCCCCN1CCCCC1,CHEMBL206138,7.51
+N#Cc1c2ccccc2cn1CCCCCN1CCCCC1,CHEMBL204563,7.51
+N#Cc1c2ccccc2cn1CCCCN1CCCCC1,CHEMBL204788,6.75
+O=C(c1cc2ccccc2s1)N1CCC[C@H]1CN1CCCC1,CHEMBL382986,8.4
+CCOc1cccc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)oc12,CHEMBL207231,8.15
+CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2o1,CHEMBL380621,7.34
+O=C(c1cc2ccc(C(F)(F)F)cc2o1)N1CCC[C@H]1CN1CCCCC1,CHEMBL207042,7.66
+O=C(c1cc2ccc(C(F)(F)F)cc2o1)N1CCC[C@H]1CN1CCCC1,CHEMBL208003,7.82
+N#Cc1ccc2oc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2c1,CHEMBL207693,8.3
+O=C(c1cc2cc(OC(F)(F)F)ccc2o1)N1CCC[C@H]1CN1CCCC1,CHEMBL381088,7.96
+CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2o1,CHEMBL377260,7.85
+O=C(c1cc2cc(C(F)(F)F)ccc2o1)N1CCC[C@H]1CN1CCCCC1,CHEMBL208746,8.15
+O=C(c1cc2cc(C(F)(F)F)ccc2o1)N1CCC[C@H]1CN1CCCC1,CHEMBL208820,8.4
+O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H]1CN1CCCC1,CHEMBL209041,8.3
+O=C(c1sc2ccccc2c1Cl)N1CCC[C@H]1CN1CCCC1,CHEMBL376957,7.92
+CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1,CHEMBL213912,5.04
+CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL210291,7.87
+CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL209120,7.92
+CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL377975,7.37
+CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL209664,9.14
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCCC1)CC2,CHEMBL212730,9.28
+CCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL207078,9.59
+CS(=O)(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL207062,8.54
+CC(C)NC(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL209099,7.77
+CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL210051,9.7
+c1ccc(CN2CCCc3cc(OCCCN4CCCCC4)ccc3C2)cc1,CHEMBL208611,9.7
+CCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL208610,9.47
+CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL211290,7.71
+CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208830,7.62
+CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208829,8.31
+CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208650,9.77
+O=C(c1cccs1)N1CCCc2ccc(OCCCN3CCCCC3)cc21,CHEMBL208626,7.65
+O=S(=O)(c1ccccc1)N1CCCc2ccc(OCCCN3CCCCC3)cc21,CHEMBL209139,8.14
+c1cc2c(cc1OCCCN1CCCCC1)N(CC1CCCCC1)CCC2,CHEMBL210346,6.73
+CCN1CCCc2ccc(OCCCN3CCCCC3)cc21,CHEMBL210761,6.81
+c1cc2c(cc1OCCCN1CCCCC1)NCCC2,CHEMBL208564,6.89
+O=S(=O)(c1ccccc1)N1CCCc2cc(OCCCN3CCCCC3)ccc21,CHEMBL208892,7.74
+c1cc2c(cc1OCCCN1CCCCC1)CCCN2CC1CCCCC1,CHEMBL210252,7.51
+CCN1CCCc2cc(OCCCN3CCCCC3)ccc21,CHEMBL208691,7.39
+c1cc2c(cc1OCCCN1CCCCC1)CCCN2,CHEMBL441527,7.27
+c1cc(OCCCN2CCCCC2)c2c(c1)N(CC1CCCCC1)CCC2,CHEMBL210503,6.85
+c1cc2c(c(OCCCN3CCCCC3)c1)CN(CC1CCCCC1)CC2,CHEMBL380261,7.23
+CCN1CCc2cccc(OCCCN3CCCCC3)c2C1,CHEMBL209098,7.02
+c1cc2c(c(OCCCN3CCCCC3)c1)CNCC2,CHEMBL211517,6.81
+O=C(c1cccs1)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL210401,8.09
+O=S(=O)(c1ccccc1)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL378842,9.28
+c1cc2c(cc1OCCCN1CCCCC1)CN(CC1CCCCC1)CC2,CHEMBL210908,9.46
+CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL378072,9.47
+c1cc2c(cc1OCCCN1CCCCC1)CNCC2,CHEMBL209057,9.22
+O=C(c1cccs1)N1CCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL377099,8.68
+O=S(=O)(c1ccccc1)N1CCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL210410,8.13
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCCC1)C2,CHEMBL212222,9.0
+CCN1CCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL211351,9.27
+c1cc2c(c(OCCCN3CCCCC3)c1)CCN(CC1CCCCC1)C2,CHEMBL379741,7.81
+CCN1CCc2c(cccc2OCCCN2CCCCC2)C1,CHEMBL211738,7.075
+CN(C)Cc1ccc(-c2ccc(CN(C)C)cc2)cc1,CHEMBL209478,8.808
+CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1,CHEMBL379545,6.12
+CC1CCN(Cc2ccc(-c3ccc(CN4CCC(C)CC4)cc3)cc2)CC1,CHEMBL214269,8.21
+CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1,CHEMBL212869,6.4
+CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(C)=O)CC4)cc3)cc2)CC1,CHEMBL214390,5.85
+c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCOCC1,CHEMBL213085,7.91
+c1cc(-c2ccc(CNC3CCCCC3)cc2)ccc1CNC1CCCCC1,CHEMBL447846,6.25
+CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1,CHEMBL212775,7.43
+O=C1CCCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL211370,7.33
+CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1,CHEMBL211439,8.2
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CNC1CCCCC1,CHEMBL211486,8.77
+c1cc(-c2ccc(CCN3CCCCC3)cc2)ccc1CCN1CCCCC1,CHEMBL378178,8.927
+c1cc(CN2CCCCC2)ccc1CN1CCCCC1,CHEMBL434601,5.91
+NCc1ccc(-c2ccc(CN)cc2)cc1,CHEMBL119918,5.35
+Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL376954,7.06
+c1ncc([C@H]2C[C@@H]2CCNCC2CCCCC2)[nH]1,CHEMBL214312,8.28
+Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL214311,8.44
+c1ncc([C@H]2C[C@@H]2CNCC2CCCCC2)[nH]1,CHEMBL214156,6.54
+Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL209598,6.69
+c1ncc([C@@H]2C[C@H]2CCNCC2CCCCC2)[nH]1,CHEMBL378619,7.46
+Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1,CHEMBL213886,8.08
+c1ncc([C@@H]2C[C@H]2CNCC2CCCCC2)[nH]1,CHEMBL212705,7.46
+Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1,CHEMBL377572,7.86
+c1ncc([C@H]2C[C@H]2CCNCC2CCCCC2)[nH]1,CHEMBL213133,7.69
+Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL215628,7.36
+N=C(N)NCCSC(=N)N,CHEMBL557151,6.167000000000001
+O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL218790,8.238
+O=C(NCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL218915,7.06
+O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL216669,6.92
+O=C(NCc1ccc(Cl)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL387251,6.78
+O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL218836,6.79
+O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL219647,8.43
+O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL218929,7.87
+O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL218991,7.95
+O=C(NCc1ccccc1)N1CCC[C@H]1CN1CCCC1,CHEMBL384428,6.71
+O=C(NC1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1,CHEMBL216160,7.28
+O=C(NCCc1ccccc1)N1CCC[C@H]1CN1CCCC1,CHEMBL386521,6.65
+O=C(NCC1CCCCC1)N1CCC[C@H]1CN1CCCC1,CHEMBL216708,6.34
+O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1CN1CCCC1,CHEMBL218300,7.33
+O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL385201,7.47
+NCc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1,CHEMBL376247,6.96
+NCc1cccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)c1,CHEMBL376019,7.11
+O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1,CHEMBL218930,6.93
+COc1cccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)c1,CHEMBL218993,6.73
+COc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1,CHEMBL218792,6.53
+CC(C)N1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL374023,7.7
+O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCC2)CC1,CHEMBL218984,7.82
+CC(C)N1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1,CHEMBL441708,7.47
+O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1,CHEMBL218860,7.42
+CCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1,CHEMBL218807,7.4
+CCN1CCN(C(=O)NC2Cc3ccccc3C2)CC1,CHEMBL373540,7.36
+CC(C)N1CCN(C(=O)NC2Cc3ccccc3C2)CC1,CHEMBL219368,7.52
+O=C(NC1Cc2ccccc2C1)N1CCN(C2CCCC2)CC1,CHEMBL376705,7.54
+O=C(NCc1ccccc1)N1CCN(C2CCCC2)CC1,CHEMBL219757,7.03
+CC(C)N1CCN(C(=O)N2CC=C(c3ccccc3)CC2)CC1,CHEMBL375571,7.57
+CC(C)N1CCN(C(=O)N2CCC(c3ccccc3)CC2)CC1,CHEMBL374493,7.07
+COc1cc2c(cc1OC)CN(C(=O)N1CCN(C(C)C)CC1)CC2,CHEMBL218992,7.8
+CC(C)N1CCN(C(=O)N2CCc3ccccc3C2)CC1,CHEMBL219803,7.14
+CC(C)N1CCN(C(=O)N2CCC(C(C)(C)C)CC2)CC1,CHEMBL219128,7.33
+CC(C)N1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)CC1,CHEMBL219074,7.85
+CC(C)N1CCN(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1,CHEMBL218410,7.6
+CC(C)N1CCN(C(=O)N2CCC(C(=O)N3CC4CCC(CC4)C3)CC2)CC1,CHEMBL218834,7.85
+CC(C)N1CCN(C(=O)N2CCC(NC(=O)C3CCCC3)CC2)CC1,CHEMBL220407,7.77
+O=C(N1CCN(C2CCCC2)CC1)N1Cc2ccccc2C1,CHEMBL441705,7.64
+O=C(N1CCN(C2CC2)CC1)N1Cc2ccccc2C1,CHEMBL373860,7.35
+CC(C)N1CCN(C(=O)N2Cc3ccccc3C2)CC1,CHEMBL219592,7.23
+O=C(N1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1,CHEMBL384427,7.03
+CC(C)N1CCN(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)CC1,CHEMBL219072,7.43
+CN(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CN1CCCC1,CHEMBL216666,6.55
+COc1ccccc1COc1ccc(OCCCN2CCOCC2)cc1C(=O)N(C)C,CHEMBL396197,5.86
+CN(C)CCCOc1ccc(Nc2ncnc3ccccc23)c(CN(C)C)c1,CHEMBL231042,7.74
+COc1ccccc1COc1ccc(OCCCN2CCCCC2)cc1C(=O)N(C)C,CHEMBL230089,7.92
+CN(C)C(=O)c1cc(OCCC2CCCN2C)ccc1OCc1ccccc1Cl,CHEMBL230088,5.74
+CN(C)C(=O)c1cc(OCCCN2CCOCC2)ccc1OCc1ccccc1Cl,CHEMBL230087,5.96
+CN(C)C(=O)c1cc(OCCCN2CCCCC2)ccc1OCc1ccccc1Cl,CHEMBL396196,7.33
+CN(C)Cc1cc(OCCCN2CCCCC2)ccc1OCc1ccccc1Cl,CHEMBL230939,8.62
+CN(C)CCCOc1ccc(OCc2ccccc2Cl)c(CN(C)C)c1,CHEMBL231146,6.87
+CC(C)N1CCC(Oc2ccc(OCc3ccccc3Cl)c(CN(C)C)c2)C1,CHEMBL231145,7.06
+CN(C)Cc1cc(OCC2CCCN(C)C2)ccc1OCc1ccccc1Cl,CHEMBL231144,6.82
+CN(C)CCCOc1ccc(Oc2ncnc3ccccc23)c(C(=O)N(C)C)c1,CHEMBL397959,5.99
+CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12,CHEMBL425994,9.52
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,5.14
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1,CHEMBL429440,5.55
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1,CHEMBL232218,5.58
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)C(C)C)CC4)ccc32)cc1,CHEMBL232621,6.29
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)=O)CC4)ccc32)cc1,CHEMBL232620,6.57
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1,CHEMBL232010,5.84
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccncc5)CC4)ccc32)cc1,CHEMBL242820,8.48
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5nccs5)CC4)ccc32)cc1,CHEMBL396981,6.57
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C#N)cc5)CC4)ccc32)cc1,CHEMBL395022,6.84
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccccc5O)CC4)ccc32)cc1,CHEMBL242817,5.96
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C5CC5)CC4)ccc32)cc1,CHEMBL245130,7.52
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)C)CC4)ccc32)cc1,CHEMBL394787,8.01
+CCN1CCN(CCCOc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)CC1,CHEMBL396459,7.92
+COc1ccc(C2CN(C)Cc3cc(OCCCN(C4CC4)C4CC4)ccc32)cc1,CHEMBL232661,8.13
+COc1ccc(C2CN(C)Cc3cc(OCCCNC4CC4)ccc32)cc1,CHEMBL232660,7.42
+CCN(CC)CCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL427845,8.77
+CCNCCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL396945,7.33
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)C4)ccc32)cc1,CHEMBL234732,8.02
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CC(F)(F)C4)ccc32)cc1,CHEMBL396703,7.16
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC4)ccc32)cc1,CHEMBL234526,8.4
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCS(=O)(=O)CC4)ccc32)cc1,CHEMBL234525,6.97
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C(F)(F)F)CC4)ccc32)cc1,CHEMBL233681,7.4
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C#N)CC4)ccc32)cc1,CHEMBL394801,8.13
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(CO)CC4)ccc32)cc1,CHEMBL233471,8.02
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(O)CC4)ccc32)cc1,CHEMBL394800,7.96
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCC(F)(F)C4)ccc32)cc1,CHEMBL233470,7.85
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ccc32)cc1,CHEMBL395096,8.06
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL233054,8.555
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL233053,8.42
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL394861,8.7
+CNCc1cc(C#CCCN2CCCCC2)ccc1Oc1ccc(SC)cc1,CHEMBL393036,8.77
+CNCc1cc(C#CCCN2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL398981,7.03
+CNCc1cc(C#CCCN2CCN(C(C)C)C(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL393009,5.73
+CNCc1cc(C#CCCN2CCNC(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL237514,6.06
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237513,8.01
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL237512,8.21
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL235814,7.77
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL442080,7.77
+CNCc1cc(C#CCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238182,7.28
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237747,7.85
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL391074,8.22
+CNCc1cc(C#CCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL441137,7.51
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237319,7.89
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL237317,8.27
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(F)cc1Cl,CHEMBL397577,8.22
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1,CHEMBL236674,8.52
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL236676,7.89
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL236675,8.14
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1,CHEMBL428024,8.24
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)cc1,CHEMBL236475,8.15
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL391947,7.96
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL236047,7.96
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236046,7.96
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(Cl)c1,CHEMBL397575,8.52
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CN(C)C2,CHEMBL236252,7.975
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL235824,8.4
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL235614,9.15
+C(#Cc1cccc(CN2CCOCC2)c1)CCN1CCCCC1,CHEMBL237087,8.98
+CNCc1cc(CCCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238143,8.33
+CNCc1cc(CCCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238141,8.28
+CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236010,8.01
+CNCc1ccc(C#CCCN2CCOCC2)cc1Oc1ccc(SC)cc1,CHEMBL235794,6.37
+CNCc1cc(Br)ccc1Oc1ccc(SC)cc1,CHEMBL237521,5.05
+Cc1nc2ncccc2cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL263101,9.483
+Cc1nn(C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL442242,9.338
+Cc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1,CHEMBL392573,9.62
+Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL237191,9.535
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccccn1,CHEMBL393581,9.59
+CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1,CHEMBL237394,9.718
+O=C(c1ccc(F)cc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1,CHEMBL537219,9.2
+O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1,CHEMBL540634,9.2
+Cc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1,CHEMBL556782,9.0
+O=C(c1ccccc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1,CHEMBL540633,8.5
+CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3=O)cc2)CC1,CHEMBL535631,8.4
+CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3=O)cc2)CC1,CHEMBL539093,8.6
+O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1,CHEMBL240352,8.4
+O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1,CHEMBL394015,8.7
+O=C(C1CC1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL534737,8.6
+CC(C)(C)C(=O)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL537218,8.5
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,CHEMBL240187,8.6
+N#Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,CHEMBL534958,8.8
+O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL239975,8.7
+O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL534512,8.7
+Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1,CHEMBL536991,9.1
+O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1,CHEMBL559206,8.4
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL395609,8.25
+COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL247161,8.16
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL246955,7.95
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(OC(F)F)cc2)C1,CHEMBL246954,8.0
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(S(C)(=O)=O)cc2)C1,CHEMBL395608,8.7
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(SC(F)(F)F)cc2)C1,CHEMBL246953,7.34
+Cc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246749,8.08
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C#N)cc2)C1,CHEMBL246748,8.46
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL395368,7.927
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(C(F)(F)F)c2)C1,CHEMBL246747,7.96
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C(F)(F)F)cc2)C1,CHEMBL246542,7.74
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2)C1,CHEMBL397065,8.48
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cc(Cl)ccc2Cl)C1,CHEMBL246541,8.03
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL246540,7.51
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2Cl)C1,CHEMBL246333,8.25
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(Cl)c2)C1,CHEMBL397300,8.52
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)cc2)C1,CHEMBL246332,8.08
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1Cl,CHEMBL246331,8.01
+CCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246127,8.14
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)c1,CHEMBL397299,8.7
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL247953,9.66
+C[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248155,9.62
+C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCCCC1,CHEMBL391168,9.045
+CC[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246680,8.06
+N#Cc1ccc(-c2ccc3cc(CCC4CCNC4)ccc3c2)cc1,CHEMBL246679,8.48
+N#Cc1ccc(-c2ccc3cc(CCN4CCCC4)ccc3c2)cc1,CHEMBL247702,9.31
+CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL395190,9.745
+C[C@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL247505,9.92
+C[C@@H]1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL245292,8.06
+N#Cc1ccc(-c2ccc3cc(CCN4CC[C@@H](O)C4)ccc3c2)cc1,CHEMBL393899,8.81
+CN(C)[C@@H]1CCN(CCc2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)C1,CHEMBL393700,7.7
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4CF)ccc3c2)cc1,CHEMBL248361,9.09
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4CO)ccc3c2)cc1,CHEMBL392653,9.36
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@@H]4CO)ccc3c2)cc1,CHEMBL392443,8.54
+CC(C)CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248157,6.56
+CC(C)C1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248156,7.56
+CNC(O)Cc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246940,7.98
+CCN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)C,CHEMBL395131,8.34
+CN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)(C)C,CHEMBL394898,8.96
+CCCN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL396820,8.68
+CCN(CC)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246317,9.075
+CN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246316,8.58
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl,CHEMBL394732,8.3
+COc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247671,7.89
+COc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247670,8.4
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CN(C)C3)CC1,CHEMBL392933,7.89
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CNC3)CC1,CHEMBL247669,7.89
+c1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL391605,7.89
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247472,7.05
+COc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247470,7.37
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2,CHEMBL247268,8.4
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2,CHEMBL247267,7.89
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CNC2,CHEMBL247266,7.64
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CNC2,CHEMBL247265,8.15
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2F)C1,CHEMBL247063,8.7
+c1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL247062,9.0
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2)C1,CHEMBL247061,8.3
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(F)cc2)C1,CHEMBL241712,8.05
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL238052,7.92
+COc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL241706,8.4
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1,CHEMBL241705,8.1
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL247094,8.15
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1,CHEMBL392429,8.15
+Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21,CHEMBL247076,9.0
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1,CHEMBL246874,7.82
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL246873,8.7
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL247683,7.74
+CSc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240412,8.44
+FC(F)(F)Oc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL392283,8.23
+Fc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL391284,8.57
+Cc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240466,8.515
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL198298,5.18
+CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1,CHEMBL245307,9.15
+CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1,CHEMBL248377,9.0
+CN(C)CCC(Oc1ccccc1)c1cccc(OCCCN2CCCCC2)c1,CHEMBL248376,8.48
+CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL438490,9.21
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL248375,8.57
+CN(C)CCC(Oc1ccc(C#N)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246126,9.7
+CN(C)CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246125,9.05
+CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245921,9.0
+CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL391193,8.77
+CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245919,9.05
+CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245716,8.77
+CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL394322,9.0
+COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL245715,9.15
+COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245714,9.0
+Cc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245516,9.15
+CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL394321,9.05
+CN(C)CCC(Oc1ccccc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245515,8.89
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245514,8.3
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245309,9.1
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1,CHEMBL393071,8.64
+CC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245308,9.1
+c1cnn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)c1,CHEMBL392196,8.28
+c1ccn2c([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cnc2c1,CHEMBL245294,8.7
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)[nH]n1,CHEMBL397597,8.4
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)n1,CHEMBL391829,8.48
+c1ncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)s1,CHEMBL247136,8.43
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cs1,CHEMBL439389,8.52
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cs1,CHEMBL394928,9.15
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL246927,8.52
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL246716,9.0
+c1cnc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cn1,CHEMBL397643,8.4
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)nc1,CHEMBL247335,8.57
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)nc1,CHEMBL247935,9.1
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL439561,8.8
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,9.1
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)ccn1,CHEMBL393669,9.0
+c1cn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)cn1,CHEMBL246913,8.24
+C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@@H]2C)C1=C(C#N)C#N,CHEMBL257812,9.47
+C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N,CHEMBL257811,9.33
+C[C@@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N,CHEMBL257607,8.89
+CC1CCCN1CCN1CCN(CCN2CCCC2C)C1=C(C#N)C#N,CHEMBL404288,9.48
+CC1CCCN1CCN1CCN(CCN2CCCCC2)C1=C(C#N)C#N,CHEMBL257606,9.42
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCCN1CCCCC1,CHEMBL257391,8.62
+N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL257179,7.8
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL254374,8.18
+N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL254983,7.62
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1Cc1cccc2ccccc12,CHEMBL403014,7.44
+CCN(CCCN(C)C)CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N,CHEMBL254985,7.08
+N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCCN1CCCCC1,CHEMBL404287,7.21
+N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCCCN1CCCCC1,CHEMBL257392,7.25
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1,CHEMBL402286,8.26
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C#N)cc1,CHEMBL404572,8.96
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1OC(F)(F)F,CHEMBL255127,8.68
+CSc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL257917,7.97
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270625,8.66
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL269966,7.43
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL270411,7.82
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL270396,8.17
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL270607,7.85
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,CHEMBL403148,8.96
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256390,8.47
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257743,8.62
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL404247,7.96
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256044,8.96
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402590,7.7
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL258153,8.11
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402644,7.64
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL408206,8.62
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL409877,7.68
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL273157,8.37
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270165,7.54
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272289,9.0
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL272077,9.3
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL272503,8.92
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL267267,8.96
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257909,8.96
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL257738,8.74
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL257221,8.39
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL257434,8.85
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C#N,CHEMBL257009,9.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1F,CHEMBL272698,8.85
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)c(Cl)c1,CHEMBL272917,8.82
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL403377,8.7
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C(F)(F)F,CHEMBL439246,8.7
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)cc1,CHEMBL258349,9.1
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL401867,9.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1F,CHEMBL402949,9.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL401683,9.1
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272699,9.05
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(OC)c1,CHEMBL273136,9.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(C#N)c1,CHEMBL257208,9.15
+C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1,CHEMBL429914,9.41
+C[C@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1,CHEMBL269951,8.8
+c1ccc(COc2ccc(CCN3CCCC3)cc2)cc1,CHEMBL271661,8.3
+C[C@@H]1CCCN1CCc1ccc2ccccc2c1,CHEMBL441903,8.89
+C[C@H]1CCCN1CCc1ccc2ccccc2c1,CHEMBL402377,7.85
+c1ccc2cc(CCN3CCCC3)ccc2c1,CHEMBL270410,7.52
+Cc1oc(-c2ccccc2)nc1CCN1CCC[C@H]1C,CHEMBL402187,8.46
+Cc1oc(-c2ccccc2)nc1CCN1CCC[C@@H]1C,CHEMBL402415,7.55
+Cc1oc(-c2ccccc2)nc1CCN1CCCC1,CHEMBL271237,7.59
+COc1ccc2[nH]c(CCN3CCC[C@H]3C)cc2c1,CHEMBL402220,7.82
+COc1ccc2[nH]c(CCN3CCC[C@@H]3C)cc2c1,CHEMBL403736,7.0
+COc1ccc2[nH]c(CCN3CCCC3)cc2c1,CHEMBL403264,6.64
+C[C@@H]1CCCN1CCc1cc2ccccc2[nH]1,CHEMBL271252,6.88
+C[C@H]1CCCN1CCc1cc2ccccc2[nH]1,CHEMBL272988,7.74
+c1ccc2[nH]c(CCN3CCCC3)cc2c1,CHEMBL271899,6.66
+COc1ccc(CCN2CCC[C@H]2C)cc1,CHEMBL271898,8.64
+COc1ccc(CCN2CCC[C@@H]2C)cc1,CHEMBL404532,8.05
+COc1ccc(CCN2CCCC2)cc1,CHEMBL272307,7.39
+COc1cccc(CCN2CCC[C@H]2C)c1,CHEMBL439429,7.8
+COc1cccc(CCN2CCC[C@@H]2C)c1,CHEMBL272306,7.19
+COc1cccc(CCN2CCCC2)c1,CHEMBL404911,6.59
+COc1ccccc1CCN1CCC[C@H]1C,CHEMBL404375,7.46
+COc1ccccc1CCN1CCC[C@@H]1C,CHEMBL404912,7.51
+COc1ccccc1CCN1CCCC1,CHEMBL257913,6.47
+Cc1ccc(CCN2CCC[C@H]2C)cc1,CHEMBL403052,8.3
+Cc1ccc(CCN2CCC[C@@H]2C)cc1,CHEMBL257911,7.57
+Cc1ccc(CCN2CCCC2)cc1,CHEMBL257912,7.09
+Cc1cccc(CCN2CCC[C@H]2C)c1,CHEMBL257915,8.3
+Cc1cccc(CCN2CCC[C@@H]2C)c1,CHEMBL257914,7.49
+Cc1cccc(CCN2CCCC2)c1,CHEMBL257919,6.7
+Cc1cc(C)c(CCN2CCC[C@H]2C)c(C)c1,CHEMBL270630,7.96
+Cc1cc(C)c(CCN2CCC[C@@H]2C)c(C)c1,CHEMBL272141,8.0
+Cc1cc(C)c(CCN2CCCC2)c(C)c1,CHEMBL272140,6.4
+C[C@@H]1CCCN1CCc1ccccc1O,CHEMBL404834,7.68
+C[C@H]1CCCN1CCc1ccccc1O,CHEMBL408617,7.02
+Oc1ccccc1CCN1CCCC1,CHEMBL273002,6.57
+C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1,CHEMBL440996,7.02
+C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1,CHEMBL257235,7.7
+O=[N+]([O-])c1ccc(CCN2CCCC2)cc1,CHEMBL273004,6.44
+C[C@@H]1CCCN1CCc1ccc(N(C)C)cc1,CHEMBL402872,8.22
+C[C@H]1CCCN1CCc1ccc(N(C)C)cc1,CHEMBL271489,7.37
+C[C@@H]1CCCN1CCc1cccs1,CHEMBL402873,7.47
+C[C@H]1CCCN1CCc1cccs1,CHEMBL271492,6.96
+C[C@@H]1CCCN1CCc1ccns1,CHEMBL255141,7.77
+C[C@H]1CCCN1CCc1ccns1,CHEMBL406698,7.48
+c1cc(CCN2CCCC2)sn1,CHEMBL272131,6.72
+CCc1ccc(CCN2CCC[C@H]2C)nc1,CHEMBL408259,7.47
+CCc1ccc(CCN2CCC[C@@H]2C)nc1,CHEMBL271504,6.52
+CCc1ccc(CCN2CCCC2)nc1,CHEMBL271300,6.64
+C[C@@H]1CCCN1CCc1ccncc1,CHEMBL271722,7.15
+C[C@H]1CCCN1CCc1ccncc1,CHEMBL405069,6.85
+c1cc(CCN2CCCC2)ccn1,CHEMBL405070,6.46
+C[C@@H]1CCCN1CCc1cccnc1,CHEMBL271226,6.52
+C[C@@H]1CCCN1CCc1ccccn1,CHEMBL270807,6.7
+C[C@H]1CCCN1CCc1ccccn1,CHEMBL429740,6.47
+OCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL259482,9.17
+CC(C)N1CCC(Oc2ccc3cc(C(=O)NC4CCCCC4)ccc3c2)CC1,CHEMBL477181,7.06
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4)ccc3c2)CC1,CHEMBL479246,7.24
+O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1,CHEMBL476099,8.4
+C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(CC3CC3)C[C@@H]2C1,CHEMBL408934,9.025
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]23)cc1,CHEMBL471555,8.55
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240,6.03
+CC1CC(C)CN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1,CHEMBL495903,7.96
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCOCC2)cc1,CHEMBL522894,8.47
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL500637,8.7
+CN1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL497355,7.89
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCC2)cc1,CHEMBL497147,8.92
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-n2c(-c3ccccn3)nc3cc(F)ccc32)cc1,CHEMBL497354,8.29
+CC(C)[C@@H]1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1,CHEMBL521566,8.32
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1,CHEMBL496523,7.7
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCCCC2)cc1,CHEMBL496524,8.28
+CN1CCCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL495914,8.44
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL524467,6.97
+Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2Cc3cccc4cccc(c34)C2)cc1,CHEMBL501702,6.15
+OC1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL526450,8.74
+COC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL497575,7.8
+NC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1,CHEMBL497584,7.7
+NC(=O)C1CCCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1,CHEMBL527017,7.96
+CNCCCOc1ccc(-n2c(-c3ccccn3)nc3cc(F)ccc32)cc1,CHEMBL503733,7.0
+O=c1[nH]c2cc(F)ccc2n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL497787,8.06
+Fc1ccc2c(c1)[nH]c(=S)n2-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL495723,8.1
+CCSC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1,CHEMBL495724,8.59
+CCOC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1,CHEMBL497997,7.82
+c1cc(OCC2CN(C3CCC3)CCO2)ccc1CN1CCOCC1,CHEMBL496554,7.74
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL448825,8.44
+CC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1,CHEMBL525376,6.99
+c1cc(CN2CCOCC2)cc(OCC2CN(C3CCC3)CCO2)c1,CHEMBL495744,7.43
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCC1,CHEMBL496167,8.66
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCCC1,CHEMBL496366,8.6
+c1cc(OC[C@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL524088,7.51
+c1cc(OC[C@@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL497192,8.72
+CCN1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,CHEMBL498201,6.78
+c1cc(OCC2CN(C3CC3)CCO2)ccc1CN1CCOCC1,CHEMBL496553,6.97
+CN1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,CHEMBL447516,5.68
+CC(C)N1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,CHEMBL522234,7.31
+c1cc(CN2CCOCC2)cc(OCC2CN(C3CC3)CCO2)c1,CHEMBL498626,6.25
+CC(C)N1CCOC(COc2ccccc2)C1,CHEMBL510654,5.32
+CCOc1ccccc1OCC1CN(C(C)C)CCO1,CHEMBL495543,5.05
+CCOc1ccccc1OCC1CN(C2CCC2)CCO1,CHEMBL496361,5.15
+CCOc1ccccc1OCC1CN(C2CCCC2)CCO1,CHEMBL496362,5.28
+FCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL469388,7.76
+FCCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL449484,7.37
+FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL513193,10.03
+F[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1,CHEMBL471437,9.55
+F[C@@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1,CHEMBL470599,9.55
+FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1,CHEMBL513729,9.59
+F[C@@H]1CCN(Cc2ccc(OCCCN3CCCC3)cc2)C1,CHEMBL452877,9.51
+FC1CCN(CCCOc2ccc(CN3CCCC3)cc2)CC1,CHEMBL470600,9.0
+FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL470601,9.62
+BrC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL472466,9.7
+ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL470609,10.17
+CS(=O)(=O)OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL470610,9.08
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL191703,8.307
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL488891,7.71
+CN1C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]3C1=O,CHEMBL519889,6.27
+CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)C(=O)[C@H]2CC[C@@H]34)C1,CHEMBL488209,7.42
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL502704,8.94
+CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL510825,8.79
+CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C,CHEMBL451821,9.68
+CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL510387,9.43
+CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL454109,9.655
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+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL453878,8.11
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+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455401,7.51
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455400,7.3
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+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL454664,8.78
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)Cc6cccs6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL507565,8.48
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL454425,7.79
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL510426,7.4
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455645,7.91
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)C6CC6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455644,7.22
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+c1cc(Sc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)ccn1,CHEMBL480246,7.92
+CN(C)CCCSc1ncc(C(=O)c2ccc(Cl)cc2)n1C,CHEMBL521118,8.3
+CN(C)CCCSc1ncc(/C(=N\O)c2ccc(Cl)cc2)n1C,CHEMBL482306,8.7
+CN(C)CCCSc1ncc(C(O)c2ccc(Cl)cc2)n1C,CHEMBL480245,7.74
+CN(C)CCCSc1ncc(Cc2ccc(Cl)cc2)n1C,CHEMBL482142,7.7
+Cn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCN1CCCCC1,CHEMBL474597,8.22
+CC(C)N1CCC(Sc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1,CHEMBL474440,8.7
+CN(C)CCSc1ncc(Cc2ccc(Cl)cc2)n1C,CHEMBL482305,7.15
+Cn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCCN1CCCCC1,CHEMBL474598,7.3
+Cn1c(C(=O)c2ccc(Cl)cc2)cnc1OCCCN1CCCCC1,CHEMBL474429,7.85
+Cn1c(C(=O)c2ccc(Cl)cc2)cnc1NCCCN1CCCCC1,CHEMBL474430,7.3
+Cn1c(C(=O)c2ccc(Cl)cc2)cnc1CCCCN1CCCCC1,CHEMBL521256,7.62
+CC(C)N1CCC(Oc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1,CHEMBL520100,8.0
+CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1,CHEMBL481745,8.52
+CC(C)N1CCC(CCOc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1,CHEMBL482007,7.15
+CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1,CHEMBL482008,9.0
+CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3Cl)n2C)CC1,CHEMBL519951,9.0
+CC(C)N1CCC(COc2ncc(C(=O)c3cccc(Cl)c3)n2C)CC1,CHEMBL480829,8.3
+CC(C)N1CCC(COc2ncc(C(=O)c3cc(Cl)cc(Cl)c3)n2C)CC1,CHEMBL521415,8.4
+CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1,CHEMBL480048,8.52
+CC(C)N1CCC(COc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)n2C)CC1,CHEMBL479452,8.4
+CC(C)N1CCC(COc2ncc(C(=O)c3ccc([N+](=O)[O-])cc3)n2C)CC1,CHEMBL480633,8.4
+CC(C)N1CCC(COc2ncc(C(=O)c3ccc(F)cc3)n2C)CC1,CHEMBL480828,8.52
+CC(C)c1ccc(C(=O)c2cnc(OCC3CCN(C(C)C)CC3)n2C)cc1,CHEMBL520085,8.05
+O=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1,CHEMBL522555,7.15
+O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1,CHEMBL496008,8.7
+CC(C)(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL495611,8.4
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL495612,8.3
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCCCC4)cc3c2)CC1,CHEMBL522715,8.22
+COC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1,CHEMBL522236,8.05
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1,CHEMBL496616,8.1
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC(F)(F)C4)cc3c2)CC1,CHEMBL496617,8.7
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1,CHEMBL496816,8.7
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1,CHEMBL497025,8.15
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)[nH]c3c2)CC1,CHEMBL522243,7.48
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCOCC2)n3CC(F)(F)F)CC1,CHEMBL497030,8.52
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC(F)(F)F)CC1,CHEMBL524077,8.52
+CC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21,CHEMBL496080,7.89
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(C)(=O)=O)CC1,CHEMBL495639,8.52
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL503070,8.7
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC#N)CC1,CHEMBL521710,8.52
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2ccc(Cl)c(Cl)c2)CC1,CHEMBL523948,9.0
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC(F)(F)F)CC1,CHEMBL489855,7.96
+O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL483672,9.0
+O=C(c1cc2cc(OC3CCN(C4COC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL520148,7.64
+O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL482844,8.7
+CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL496209,7.19
+CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1,CHEMBL503643,8.7
+O=C(c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2CC(F)(F)F)N1CCN(C2CCC2)CC1,CHEMBL522739,8.15
+Cc1[nH]c2ccc(OC3CCN(C(C)C)CC3)cc2c1C(=O)N1CCOCC1,CHEMBL496814,7.07
+CC(C)N1CCC(Oc2cc3[nH]c(C(=O)N4CCOCC4)cc3cc2F)CC1,CHEMBL497632,6.44
+CN(C)[C@@H]1CCN(CCCOc2c(F)cc(-c3ccc(C#N)cc3)cc2F)C1,CHEMBL498228,8.7
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL517140,9.767
+CCN(CC)Cc1ccc(-c2ccc(CN(CC)CC)cc2)cc1,CHEMBL500825,8.55
+CCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1,CHEMBL458718,8.03
+CN(Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C1CCCCC1,CHEMBL511687,8.56
+CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)C1,CHEMBL457004,9.06
+c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1,CHEMBL511850,7.71
+N#Cc1ccc(OCc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL457005,7.12
+CN(C)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457006,8.66
+CCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457007,8.71
+CCCN(CCC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457862,8.76
+CC1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1,CHEMBL458082,8.62
+CN(Cc1ccccc1)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL447953,8.17
+CN(C)CCc1ccc(-c2ccc(CCN(C)C)cc2)cc1,CHEMBL457868,8.29
+CC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1,CHEMBL459542,7.78
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1,CHEMBL459756,8.7
+CCCN(CCC)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2)cc1,CHEMBL512197,6.6
+CCCN(CCC)C(=O)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL458507,8.07
+CCCN(CCC)Cc1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1,CHEMBL458722,8.41
+C(CCCCN1CCCCC1)CCCCN1CCCCC1,CHEMBL458723,8.35
+Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL483400,8.17
+Cc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12,CHEMBL484946,8.77
+Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL485543,8.44
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,5.89
+N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1,CHEMBL494890,6.03
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,8.03
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL457957,8.31
+CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL460402,8.46
+CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459350,9.55
+CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517244,9.45
+CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL459373,8.92
+CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL517407,8.81
+Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,CHEMBL464811,8.49
+O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL455288,10.38
+CCCCc1cnc[nH]1,CHEMBL453433,7.6
+CC1(C)COC(c2cccc(Cc3cnc[nH]3)c2)=N1,CHEMBL495376,8.4
+Nc1ccc(Cc2cnc[nH]2)cc1,CHEMBL506072,6.59
+CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1,CHEMBL505616,6.27
+Brc1ccc(Cc2cnc[nH]2)cc1,CHEMBL446011,6.38
+N#Cc1ccc(Cc2cnc[nH]2)cc1,CHEMBL447902,6.09
+CC1(C)COC(c2ccc(Cc3cnc[nH]3)cc2)=N1,CHEMBL455475,5.6
+CCCC#Cc1cccc(Cc2cnc[nH]2)c1,CHEMBL451399,8.5
+C(#Cc1cccc2ccccc12)c1cccc(Cc2cnc[nH]2)c1,CHEMBL500635,5.76
+C(#Cc1cccc(Cc2cnc[nH]2)c1)c1ccccc1,CHEMBL449840,8.74
+CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1,CHEMBL493014,8.35
+CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1,CHEMBL489493,7.49
+c1cc(Cc2cnc[nH]2)cc(-c2ccncc2)c1,CHEMBL493013,6.37
+c1ccc(-c2cccc(Cc3cnc[nH]3)c2)nc1,CHEMBL503542,7.39
+c1ccc(-c2cccc(Cc3cnc[nH]3)c2)cc1,CHEMBL493012,7.48
+c1ccc(Cc2cnc[nH]2)cc1,CHEMBL494421,6.79
+N#Cc1cccc(Cc2cnc[nH]2)c1,CHEMBL503691,6.81
+CC1(C)CN=C(c2cccc(Cc3cnc[nH]3)c2)OC1,CHEMBL498149,5.6
+c1ccc(C[C@@H]2COC(c3cccc(Cc4cnc[nH]4)c3)=N2)cc1,CHEMBL455266,7.05
+c1cc(Cc2cnc[nH]2)cc(C2=NC(CC3CCCCC3)CO2)c1,CHEMBL495158,6.15
+c1cc(Cc2cnc[nH]2)cc(C2=NCC3(CCCCC3)O2)c1,CHEMBL447687,7.25
+c1cc(Cc2cnc[nH]2)cc(C2=NC3(CCCC3)CO2)c1,CHEMBL493813,7.4
+CC1CC(C)(C)N=C(c2cccc(Cc3cnc[nH]3)c2)O1,CHEMBL494982,8.9
+c1ccc(CCCOCCCN2CCCCC2)cc1,CHEMBL462606,8.505
+CCCC1CCN(CCCOCCCc2ccccc2)CC1,CHEMBL462598,6.6
+CCCCC1CCN(CCCOCCCc2ccccc2)CC1,CHEMBL460309,6.56
+c1ccc(CCCOCCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL513620,6.49
+c1ccc(CCCOCCCN2CCC3CCCCC3C2)cc1,CHEMBL460310,6.41
+c1ccc(CCCOCCCN2CCc3ccccc3C2)cc1,CHEMBL462597,6.25
+Clc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1,CHEMBL461550,6.63
+COc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1,CHEMBL460313,6.88
+FC(F)(F)c1cccc(OCCN2CCC(N3CCCCC3)CC2)c1,CHEMBL448848,6.79
+Cc1ccc(OCCN2CCC(N3CCCCC3)CC2)cc1,CHEMBL460489,6.52
+Clc1ccc(OCCN2CCC(N3CCCCC3)CC2)cc1,CHEMBL460490,6.75
+Clc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1,CHEMBL461726,6.78
+CC(C)(C)c1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1,CHEMBL473928,7.0
+COc1cccc(OCCOCCCN2CCCC(C)C2)c1,CHEMBL1202067,7.9
+COc1cccc(OCCOCCCN2CCC(C)CC2)c1,CHEMBL1202068,8.14
+COc1cccc(OCCOCCCN2CCCCCC2)c1,CHEMBL476465,7.21
+CC1CCCN(CCCOCCOc2ccc(C(C)(C)C)cc2)C1,CHEMBL1202069,7.56
+COc1cccc(OCCCOCCCN2CCCC(C)C2)c1,CHEMBL1202070,7.31
+COc1cccc(OCCCOCCCN2CCC(C)CC2)c1,CHEMBL1202071,7.73
+COc1cccc(OCCCOCCCN2CCCCCC2)c1,CHEMBL1202072,8.49
+CC1CCCN(CCCOCCCOc2ccc(Cl)cc2)C1,CHEMBL1202073,7.55
+CC1CCN(CCCOCCCOc2ccc(Cl)cc2)CC1,CHEMBL1202074,8.46
+CC1CCCCN(CCCOCCCOc2ccc(Cl)cc2)C1,CHEMBL1202075,7.89
+CC1CCCN(CCCOCCCOc2ccc(C(C)(C)C)cc2)C1,CHEMBL1202076,7.29
+CC1CCN(CCCOCCCOc2ccc(C(C)(C)C)cc2)CC1,CHEMBL1202077,8.11
+CC(C)(C)c1ccc(OCCCOCCCN2CCCCCC2)cc1,CHEMBL1202078,8.62
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,5.04
+CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br,CHEMBL493091,5.98
+CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br,CHEMBL570774,5.79
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cc(Br)c[nH]1,CHEMBL561355,6.72
+O=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1cc(Br)c[nH]1,CHEMBL549332,4.89
+CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1,CHEMBL554516,5.88
+CN(C)CCCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br,CHEMBL561234,5.87
+CN(C)CCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br,CHEMBL561433,5.81
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1ccc[nH]1,CHEMBL554742,6.82
+O=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1ccc[nH]1,CHEMBL563666,4.58
+CN1CCCC(COc2ccc(CCNC(=O)c3ccc[nH]3)cc2Br)C1,CHEMBL564035,5.82
+CN(C)CCCOc1ccc(CCNC(=O)c2cccn2C)cc1Br,CHEMBL561837,5.75
+CN(C)CCOc1ccc(CCNC(=O)c2cccn2C)cc1Br,CHEMBL550141,5.67
+Cn1cccc1C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1,CHEMBL563684,6.89
+Cn1cccc1C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1,CHEMBL561029,4.75
+CN1CCCC(COc2ccc(CCNC(=O)c3cccn3C)cc2Br)C1,CHEMBL562235,5.78
+CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br,CHEMBL551840,5.79
+CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br,CHEMBL559766,6.17
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cc(Br)cs1,CHEMBL551841,7.1
+O=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1cc(Br)cs1,CHEMBL549544,4.87
+CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1,CHEMBL559963,5.9
+CN(C)CCCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br,CHEMBL554108,5.64
+CN(C)CCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br,CHEMBL562297,5.57
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1ccc(Br)o1,CHEMBL561228,6.77
+O=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1ccc(Br)o1,CHEMBL559448,4.49
+CN1CCCC(COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1,CHEMBL559842,5.68
+CC1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br,CHEMBL559843,6.495
+O=C(NCCc1ccc(OCCN2CCC(F)C2)c(Br)c1)c1cc(Br)cs1,CHEMBL562496,5.95
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)n1,CHEMBL560230,6.57
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cnco1,CHEMBL569374,7.52
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1nnc[nH]1,CHEMBL571006,6.37
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1nccs1,CHEMBL561293,7.52
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cncs1,CHEMBL551488,6.92
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(Cl)c1,CHEMBL560629,6.6
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(Br)c1,CHEMBL551693,6.68
+O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)c1,CHEMBL563558,6.36
+CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]24CN(C)C[C@H]2CC[C@@H]34)c1,CHEMBL565206,6.94
+CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]24CN(C)C[C@H]2CC[C@H]34)c1,CHEMBL561028,7.81
+CN1C[C@H]2CC[C@@H]3c4ccc(-c5ccc(C#N)cc5)cc4CC[C@]23C1,CHEMBL563392,7.84
+CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL563998,9.27
+N#Cc1ccc(-c2ccc(N3CC[C@@H]4CNC[C@@H]43)cc2)cc1,CHEMBL551896,6.49
+CCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL554495,8.18
+CC(C)N1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL559446,7.37
+N#Cc1ccc(-c2ccc(N3CC[C@@H]4CN(CC5CC5)C[C@@H]43)cc2)cc1,CHEMBL563409,7.26
+CCCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL559447,7.15
+CC(C)CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL562100,6.64
+CCCCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL559445,6.26
+CN1C[C@@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1,CHEMBL561762,6.11
+CN1CC[C@@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21,CHEMBL560357,6.26
+CN1CC[C@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)C[C@H]21,CHEMBL552505,7.21
+CN1C[C@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL552506,7.8
+CN1C[C@@H]2[C@H](C1)CN2c1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL562495,6.27
+CN1C[C@@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21,CHEMBL561420,7.05
+CN1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1,CHEMBL560358,7.0
+CN1C[C@H]2CCN(c3ccc(-c4ccccc4)cc3)[C@H]2C1,CHEMBL551289,7.88
+CN1C[C@H]2CCN(c3cccc(-c4ccccc4)c3)[C@H]2C1,CHEMBL563811,6.29
+CN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1,CHEMBL571448,7.58
+CN1C[C@H]2CCN(c3ccc(Oc4ccccc4)cc3)[C@H]2C1,CHEMBL550017,7.6
+CC(=O)c1ccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)cc1,CHEMBL551355,8.49
+CC(=O)c1cccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)c1,CHEMBL558084,8.23
+CN1C[C@H]2CCN(c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1,CHEMBL563976,8.31
+CN1C[C@H]2CCN(c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1,CHEMBL538429,7.97
+CN1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1,CHEMBL558085,7.91
+COc1ccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)cc1,CHEMBL564405,8.82
+CN1C[C@H]2CCN(c3ccc4cc(Br)ccc4c3)[C@H]2C1,CHEMBL563014,6.74
+CN1C[C@H]2CCN(c3ccc4cc(-c5ccc(C#N)cc5)ccc4c3)[C@H]2C1,CHEMBL549470,8.38
+CN1C[C@H]2CCN(c3ccc4cc(-c5ccc(F)cc5)ccc4c3)[C@H]2C1,CHEMBL560958,7.69
+N=C(N)SCCCc1cnc[nH]1,CHEMBL281576,8.55
+N=C(NCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202324,8.1
+N=C(NCCCc1cnc[nH]1)NCc1ccccc1,CHEMBL552694,7.1
+N=C(NCc1ccc(F)cc1)SCCCc1cnc[nH]1,CHEMBL1202328,8.3
+N=C(NCc1cccc(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1202326,8.1
+N=C(NCc1ccccc1Cl)SCCCc1cnc[nH]1,CHEMBL1202318,8.1
+N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1202332,8.2
+N=C(NCc1ccc(Br)cc1)SCCCc1cnc[nH]1,CHEMBL1743881,8.6
+N=C(NCc1ccc(I)cc1)SCCCc1cnc[nH]1,CHEMBL1202321,8.5
+Cc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202329,8.2
+COc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202319,8.1
+N=C(NCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202330,7.7
+N=C(NCCc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL1202322,8.0
+N=C(NCCc1ccc(Br)cc1)SCCCc1cnc[nH]1,CHEMBL561250,8.1
+N=C(NCCc1ccc(I)cc1)SCCCc1cnc[nH]1,CHEMBL1237146,8.1
+Cc1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202320,7.9
+COc1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202325,7.7
+N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1cnc[nH]1,CHEMBL561651,6.5
+N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202323,7.5
+N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202331,8.0
+N=C(NCCCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL551047,7.7
+COc1cccc2c1O[C@@H](c1ccc(OCCCN3CCCC3)cc1)[C@H](C)S2(=O)=O,CHEMBL560386,9.2
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CHEMBL564380,8.773
+CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1,CHEMBL557461,8.15
+CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1,CHEMBL552140,7.44
+CC1CCN(C(=O)c2ccc3cc(OCCC4CCCN4C)ccc3c2)CC1,CHEMBL563869,6.24
+CC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)C4)ccc3c2)CC1,CHEMBL549520,6.63
+CC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1,CHEMBL563711,7.47
+CC1CCN(C(=O)c2ccc3cc(OCCCN4CCOCC4)ccc3c2)CC1,CHEMBL557943,5.7
+O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1,CHEMBL549722,6.99
+COC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1,CHEMBL557875,7.52
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCC4C)ccc3c2)CC1,CHEMBL550127,7.82
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1,CHEMBL563698,6.81
+COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1,CHEMBL560203,7.21
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)CC1,CHEMBL541483,7.4
+CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3n2)CC1,CHEMBL562146,6.52
+COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1,CHEMBL562147,6.9
+CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1,CHEMBL561085,6.62
+O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1,CHEMBL550738,6.92
+CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC4)ccc3c2)CC1,CHEMBL540415,7.21
+CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC[C@H]4C#N)ccc3c2)CC1,CHEMBL551143,7.06
+CC(C)N1[C@H]2CCC(Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)C[C@@H]1C2,CHEMBL558465,7.52
+C(#Cc1ccccc1)CCN1CCCCC1,CHEMBL574932,7.25
+C(#Cc1ccccc1N1CCCCC1)CCN1CCCCC1,CHEMBL572630,7.08
+C(#Cc1cccc(CN2CCCC2)c1)CCN1CCCCC1,CHEMBL573808,7.09
+NC(=O)C1CCN(Cc2cccc(C#CCCN3CCCCC3)c2)CC1,CHEMBL582977,9.26
+CN1CCN(Cc2cccc(C#CCCN3CCCCC3)c2)CC1,CHEMBL575172,9.14
+C(#Cc1cccc(CN2CCCCC2)c1)CCN1CCCCC1,CHEMBL573817,9.11
+OC1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1,CHEMBL573815,9.05
+NC(=O)C1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1,CHEMBL583182,9.12
+C(#Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)CCN1CCCCC1,CHEMBL574719,8.46
+C(#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)CCN1CCCCC1,CHEMBL584182,8.72
+CC(C)N1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1,CHEMBL573328,9.06
+CN1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1,CHEMBL573321,9.01
+C(#Cc1ccc(CN2CCOCC2)cc1)CCN1CCCCC1,CHEMBL573090,8.76
+C(#Cc1ccc(CN2CCCC2)cc1)CCN1CCCCC1,CHEMBL574712,9.21
+CCN(CC)Cc1ccc(C#CCCN2CCCCC2)cc1,CHEMBL574711,8.96
+CN(C)Cc1ccc(C#CCCN2CCCCC2)cc1,CHEMBL572845,9.04
+C(#Cc1cccc(CN2CCCCC2)c1)CCN1CCOCC1,CHEMBL572612,7.84
+CN1CCN(CCC#Cc2ccc(CN3CCCCC3)cc2)CC1,CHEMBL576585,8.28
+C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCOCC1,CHEMBL572388,8.3
+C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCSCC1,CHEMBL573564,8.42
+C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCCC1,CHEMBL574721,9.17
+CCN(CC)CCC#Cc1ccc(CN2CCCCC2)cc1,CHEMBL574720,8.87
+Clc1ccc2nc(N3CCC(N4CCCCC4)CC3)sc2n1,CHEMBL573017,5.77
+c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL583693,6.86
+Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL575883,7.1
+N#Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL584350,7.44
+Clc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL575889,6.9
+CC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL574614,7.51
+c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL574615,6.89
+Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL575260,7.14
+N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL575473,7.46
+Clc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL575474,8.0
+CC(=O)Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL573491,7.28
+N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1,CHEMBL572558,7.55
+N#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccc1F,CHEMBL584766,7.64
+CC(=O)c1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1,CHEMBL573479,7.48
+COc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1,CHEMBL573260,6.85
+Oc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1,CHEMBL584768,7.23
+N#Cc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1,CHEMBL573240,6.9
+N#Cc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccc1F,CHEMBL575243,7.34
+CC(=O)c1cccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1,CHEMBL574608,7.1
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+Oc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1,CHEMBL574836,6.67
+Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL574837,7.2
+Fc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1,CHEMBL583582,7.89
+Fc1ncccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL575475,7.38
+N#Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1,CHEMBL578862,7.8
+COc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL573485,7.46
+COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1,CHEMBL573034,8.4
+Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL574180,6.88
+O=c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c[nH]1,CHEMBL574393,7.38
+Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL575241,7.8
+CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL574387,8.0
+c1ncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL575476,7.6
+Nc1cnc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1,CHEMBL573493,7.18
+Fc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL575023,7.46
+Fc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1,CHEMBL574826,7.36
+Fc1ncccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,CHEMBL582876,7.7
+N#Cc1cncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1,CHEMBL572737,7.66
+COc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL575483,7.03
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+Cc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL572559,6.98
+O=c1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c[nH]1,CHEMBL578834,8.1
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+CC(=O)Nc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL575693,7.57
+c1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL575234,7.6
+Nc1cnc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1,CHEMBL575453,7.77
+Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1,CHEMBL575030,6.85
+CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1,CHEMBL594721,6.46
+Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL594731,6.35
+CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1,CHEMBL593103,6.49
+CN1CCN(c2cc(NCc3c(Cl)cccc3Cl)nc(N)n2)CC1,CHEMBL595180,6.29
+CN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1,CHEMBL597879,7.0
+CCN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1,CHEMBL596679,7.04
+O=C(c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1)N1CCC(N2CCCC2)C1,CHEMBL605141,8.0
+CN(CCO)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1,CHEMBL599368,5.92
+CN(C)[C@H]1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1,CHEMBL598351,7.19
+CN(C)[C@@H]1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1,CHEMBL598352,6.36
+CN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2)C1,CHEMBL597129,6.63
+CN(C)C1CCN(C(=O)c2ccc(Cn3cnc4ccccc43)cc2)C1,CHEMBL589508,6.41
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1,CHEMBL596927,7.77
+O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCC(N2CCCC2)C1,CHEMBL604086,7.64
+O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL599589,8.0
+O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CC[C@@H](N2CCCC2)C1,CHEMBL605361,7.57
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1,CHEMBL598979,8.3
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1,CHEMBL605140,8.52
+O=C(c1cccc(Cn2cnc3ccccc32)c1)N1CCC(N2CCCC2)C1,CHEMBL598980,6.4
+O=C(c1ccccc1Cn1cnc2ccccc21)N1CCC(N2CCCC2)C1,CHEMBL599178,5.4
+O=C(c1ccc(Cn2ccc3ccccc32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL602515,7.82
+O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL589908,8.6
+O=C(c1ccc(Cn2ccc3ccc(Cl)cc32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL590625,6.82
+O=C(c1ccc(Cn2ccc3cc(Cl)ccc32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL600250,6.89
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+Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1,CHEMBL492231,5.65
+Nc1nc(N2CC[C@@H](N)C2)c2c(n1)C1(CCCC1)CCC2,CHEMBL1081680,6.53
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1,CHEMBL1089040,6.65
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1089390,6.98
+CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1079516,7.2
+O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c(F)cc2c1=O,CHEMBL1076567,8.7
+c1cc(C2=NCCN2)ccc1OCCCN1CCCCC1,CHEMBL1082147,8.1
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+O=C(O)C1CSC(c2ccc(OCCCN3CCCCC3)cc2)N1,CHEMBL1082149,8.0
+O=C1NC(=O)/C(=C/c2ccc(OCCCN3CCCCC3)cc2)S1,CHEMBL1080906,8.1
+O=C1NC(=S)S/C1=C\c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1081073,8.3
+O=C1NC(=O)C(Cc2ccc(OCCCN3CCCCC3)cc2)S1,CHEMBL1076599,7.3
+CCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076266,7.31
+CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080089,7.92
+CC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080090,7.51
+CCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080262,7.68
+CCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080263,7.82
+CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1076267,8.33
+CCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079552,7.54
+CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079553,7.72
+CCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079554,7.38
+CCCC(C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1081541,8.08
+CC(C)CCCNC(=O)OCCCc1cnc[nH]1,CHEMBL1081719,7.89
+CC(C)CCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1081720,7.52
+CCCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076275,7.28
+CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079918,7.39
+CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076300,7.13
+CC(C)CCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079746,7.12
+CCCCC(CC)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1079747,7.43
+CCCCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079748,7.04
+CCCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079749,7.55
+CCCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1081912,7.37
+N#C/N=C(/NCCCCc1cnc[nH]1)NCCSc1ccccc1,CHEMBL1078642,6.28
+O=C(NCc1cc(Cl)cc(Cl)c1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1,CHEMBL1089681,7.44
+O=C(NCc1ccc(Cl)c(Cl)c1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1,CHEMBL1090024,6.72
+COc1ccc(CNC(=O)N(c2ccc(Br)cc2)C2CCN(C3CCCC3)CC2)cc1,CHEMBL1094027,7.33
+O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1,CHEMBL1094028,8.0
+O=C(Nc1ccccc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1,CHEMBL1094029,7.85
+O=C(NCc1ccc(F)cc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1,CHEMBL1094030,8.15
+CCN1CCC(N(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc2)CC1,CHEMBL1092753,7.64
+CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)CC1,CHEMBL1092105,8.15
+CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cn2)CC1,CHEMBL1092106,7.39
+CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1092107,6.35
+CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(CO)cc2)CC1,CHEMBL1090751,6.25
+CS(=O)(=O)N1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)CC1,CHEMBL1089209,6.07
+O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(CCO)CC1,CHEMBL1093113,7.07
+O=C(NCc1ccc(F)cc1)N(c1ccc(Br)cc1)C1CCN(CCO)CC1,CHEMBL1089078,7.17
+O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1,CHEMBL1091834,7.8
+O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(Cc2cc[nH]c(=O)c2)CC1,CHEMBL1091835,6.2
+Nc1cc(CN2CCC(N(C(=O)NCc3ccc(F)cc3)c3ccc(Cl)cc3)CC2)ccn1,CHEMBL1091836,8.52
+O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccnnc2)CC1,CHEMBL1093696,7.31
+O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccncc2)CC1,CHEMBL1092108,8.7
+O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccnnc2)CC1,CHEMBL1092109,8.0
+O=C([C@H]1C[C@H](Oc2ccccc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1099132,8.28
+Cc1ccccc1O[C@@H]1CN[C@@H](C(=O)N2CCCN(C3CCC3)CC2)C1,CHEMBL1098883,8.55
+Cc1cccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)c1,CHEMBL1098884,8.28
+Cc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1099146,8.33
+Cc1cc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)ccc1Cl,CHEMBL1099147,8.89
+COc1cccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)c1,CHEMBL1097480,8.3
+CSc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1095547,8.55
+O=C([C@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1097143,8.39
+O=C([C@H]1C[C@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1095845,8.47
+O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1095846,8.8
+O=C([C@H]1C[C@H](Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1095847,8.7
+O=C([C@H]1C[C@H](Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1095877,8.6
+N#Cc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1097881,8.62
+O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1,CHEMBL1097882,8.39
+N#Cc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCCC4)CC3)C2)cc1,CHEMBL1097883,8.49
+N#Cc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CC4)CC3)C2)cc1,CHEMBL1097884,7.64
+CN1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1098485,8.74
+CC(C)N1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1098486,7.92
+O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1C1CC1)N1CCCN(C2CCC2)CC1,CHEMBL1098487,7.89
+O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1C1CCC1)N1CCCN(C2CCC2)CC1,CHEMBL1094561,7.77
+CC(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1094562,8.82
+CS(=O)(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1096522,8.92
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCNCC1,CHEMBL1098214,5.71
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C)CC1,CHEMBL1098215,6.34
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C(C)C)CC1,CHEMBL1098216,7.29
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(CC(C)C)CC1,CHEMBL1098516,7.89
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1096827,8.8
+CCOC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1094893,7.8
+O=C([C@H]1C[C@H](Oc2cccc(F)c2)CN1C(=O)C1CC1)N1CCCN(C2CCC2)CC1,CHEMBL1096833,8.12
+O=C([C@H]1C[C@H](Oc2cccc(F)c2)CN1CC1CC1)N1CCCN(C2CCC2)CC1,CHEMBL1098662,8.15
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1,CHEMBL1097790,8.66
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCCCO2)CC1,CHEMBL1086704,7.16
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CC1,CHEMBL1097791,6.82
+N#Cc1ccc(O[C@@H]2CN[C@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1098559,6.74
+CSc1ccc(O[C@H]2C[C@@H](C(=O)N3CCCN(C4CCC4)CC3)N(C(C)=O)C2)cc1,CHEMBL1095533,7.3
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1095534,6.14
+O=C([C@@H]1C[C@H](Oc2ccc(F)cc2)CN1C1CC1)N1CCCN(C2CCC2)CC1,CHEMBL1095535,7.26
+O=C([C@@H]1C[C@@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1094351,7.43
+N#Cc1ccc(O[C@H]2CN[C@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1098195,7.35
+CSc1ccc(O[C@H]2CN[C@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1099190,6.84
+CC(=O)N1C[C@H](Oc2cccc(F)c2)C[C@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1099191,6.22
+O=C([C@H]1C[C@@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1099192,7.27
+N#Cc1ccc(O[C@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1095011,7.05
+CC(=O)N1C[C@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1096150,6.08
+O=C([C@H]1C[C@H](Oc2ccsc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1095355,8.28
+O=C([C@H]1C[C@H](Oc2ccccn2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1098492,8.34
+O=C([C@H]1C[C@H](Oc2cccnc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1098493,8.59
+CC(=O)N1C[C@@H](Oc2cccs2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1098780,8.43
+CC(=O)N1C[C@@H](Oc2ccsc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1098781,8.57
+CC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1097065,8.27
+CC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1097066,8.22
+O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2ccc(F)cc2)CCCN1,CHEMBL1099042,7.8
+O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2cccc(F)c2)CCCN1,CHEMBL1099043,7.36
+O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCCN1,CHEMBL1099044,6.7
+O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2ccccc2)CCCN1,CHEMBL1097705,7.96
+O=C([C@H]1C[C@H](Cc2ccccc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1098043,6.59
+O=C([C@H]1C[C@H](Cc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1096700,6.46
+O=C([C@H]1C[C@H](Cc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1096701,6.52
+COc1ccc(SCCc2cnc[nH]2)cc1,CHEMBL1098527,7.62
+FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1,CHEMBL1098002,8.96
+CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1,CHEMBL1098230,9.503
+c1ncc(CCNc2ccc(C3CCCCC3)cc2)[nH]1,CHEMBL1098229,8.39
+CC(C)(C)c1cccc(NCCc2cnc[nH]2)c1,CHEMBL1096517,8.66
+CC(C)(C)c1ccc(NCCc2cnc[nH]2)cc1,CHEMBL1096516,9.05
+Cc1ccc(NCCc2cnc[nH]2)cc1C,CHEMBL1097658,8.0
+Cc1ccc(NCCc2cnc[nH]2)cc1,CHEMBL1096515,7.85
+c1ccc(NCCc2cnc[nH]2)cc1,CHEMBL1096514,7.25
+c1ncc(CCNC2CCCCC2)[nH]1,CHEMBL1096513,5.8
+CC[C@@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL1094409,7.7
+CC[C@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL1094410,6.89
+Clc1ccc(CNCCC2C[C@H]2c2cnc[nH]2)cc1,CHEMBL1099064,8.08
+CC[C@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL1097392,7.2
+CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL1097393,8.17
+Clc1ccc(CNCCC2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL1097394,8.44
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL1085800,9.155
+C[C@@H]1CCCN1CCc1ccc2ncccc2c1,CHEMBL1086032,8.13
+Cc1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086033,7.92
+C[C@@H]1CCCN1CCc1ccc2nc(C3CC3)ccc2c1,CHEMBL1086034,8.13
+C[C@@H]1CCCN1CCc1ccc2nc(C(C)(C)C)ccc2c1,CHEMBL1085325,7.96
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1,CHEMBL1086521,9.38
+C[C@@H]1CCCN1CCc1ccc2nc(C3=NCCS3)ccc2c1,CHEMBL1085591,8.42
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1084559,9.71
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ccc2c1,CHEMBL1084560,9.98
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1,CHEMBL1083406,9.66
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1,CHEMBL1083407,9.6
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082781,9.82
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1,CHEMBL1082447,9.44
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N,CHEMBL1085560,9.55
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O,CHEMBL1085782,9.01
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(C(F)(F)F)[nH]ccc3=O)ccc2c1,CHEMBL1085783,6.64
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnccn3)ccc2c1,CHEMBL1085964,9.96
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1,CHEMBL1084294,7.55
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccccc4)n3)ccc2c1,CHEMBL1084878,8.17
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)ccc2c1,CHEMBL1084879,7.6
+Cc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1,CHEMBL1085124,7.68
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1,CHEMBL1083463,9.13
+Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1,CHEMBL1084877,8.96
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(N(C)C)nn1,CHEMBL1083462,9.71
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1,CHEMBL1083274,9.25
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1,CHEMBL1086520,8.74
+CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084584,9.15
+CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1,CHEMBL1084583,8.46
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc[nH]n3)ccc2c1,CHEMBL1084581,8.49
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn[nH]c3)ccc2c1,CHEMBL1084582,9.05
+Cc1[nH]ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084314,9.7
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C,CHEMBL1084827,9.8
+Cc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084826,9.015
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1,CHEMBL1085326,8.29
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1,CHEMBL1085572,8.6
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1,CHEMBL1085829,9.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1,CHEMBL1085828,9.71
+COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082489,9.67
+Cc1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nc(-c2ccccc2)n1,CHEMBL1082488,8.77
+CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1,CHEMBL1085337,10.3
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1,CHEMBL1085336,9.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1,CHEMBL1086514,9.96
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1,CHEMBL1086513,8.96
+Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086292,9.01
+Cc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085592,9.46
+Cc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086561,9.25
+Cc1nc(-c2ccccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085866,9.47
+Cc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1082606,9.46
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nnn1-c1ccc(F)cc1F,CHEMBL1086098,9.54
+Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085641,8.11
+Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085396,9.8
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1,CHEMBL1085397,9.395
+Cc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085398,10.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1,CHEMBL1083562,8.53
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12,CHEMBL1085142,9.42
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12,CHEMBL1084383,10.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1,CHEMBL1084384,9.06
+Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084385,9.96
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1,CHEMBL1083447,9.415
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4c(c3)COCO4)ccc2c1,CHEMBL1083448,9.4
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1,CHEMBL1086315,9.505
+CCOC(=N)c1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1086534,9.205
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccccn3)ccc2c1,CHEMBL1082496,9.11
+Cc1nc(-c2ccncc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085841,9.505
+Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1,CHEMBL1086072,8.77
+Cc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1,CHEMBL1086073,9.05
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1,CHEMBL1086074,9.09
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1,CHEMBL1084616,9.155
+O=C(c1cc(Oc2ccc(F)cc2)ccn1)N1CCCN(C2CCC2)CC1,CHEMBL1170524,8.24
+O=C(c1cc(Oc2ccccc2)ccn1)N1CCCN(C2CCC2)CC1,CHEMBL1169742,7.39
+O=C(c1cncc(Oc2ccc(F)cc2)c1)N1CCCN(C2CCC2)CC1,CHEMBL1169741,7.77
+O=C(c1cncc(Oc2ccccc2)c1)N1CCCN(C2CCC2)CC1,CHEMBL1169740,7.96
+O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCCN(C2CCC2)CC1,CHEMBL1172644,6.8
+O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCCN(C2CC2)CC1,CHEMBL1172273,5.98
+CC(C)N1CCCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL1172272,6.37
+O=C(c1ccc(Sc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1170110,7.54
+O=C(c1ccc(Sc2ccccc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171343,8.64
+O=C(c1ccc(Sc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1171342,8.34
+O=C(c1ccc(Sc2ccccc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1172076,8.43
+O=C(c1ccc(Oc2ccccc2F)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1171155,8.37
+O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1171154,8.26
+O=C(c1ccc(Oc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1170953,8.54
+O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1170952,8.33
+O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1169939,8.26
+O=C(c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1)N1CCCN(C2CC2)CC1,CHEMBL1172075,8.0
+CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cn2)CC1,CHEMBL1172074,8.82
+O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1172073,7.77
+O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171886,7.23
+O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1171003,7.89
+O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171002,9.0
+O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1171001,7.77
+O=C(c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171936,8.12
+CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)nc2)CC1,CHEMBL1171935,7.74
+O=C(c1ccc(Oc2ccccc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1170999,8.36
+O=C(c1ccc(Oc2ccccc2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1171757,8.0
+N#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CCC4)CC3)cn2)c1,CHEMBL1171756,8.74
+N#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CC4)CC3)cn2)c1,CHEMBL1171755,7.92
+O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171754,8.85
+O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1170790,8.39
+O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1170789,7.8
+O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1170788,7.6
+CCN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1,CHEMBL1171582,7.47
+CN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1,CHEMBL1171581,6.07
+O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCNCC1,CHEMBL1171858,5.05
+O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(C2CCCC2)CC1,CHEMBL1170787,7.4
+CC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1,CHEMBL1170581,7.51
+CC(C)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1,CHEMBL1170580,7.0
+CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)nc2)CC1,CHEMBL1171390,7.14
+O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C2CC2)CC1,CHEMBL1172518,6.37
+CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1,CHEMBL1172337,7.1
+CC(C)N1CCN(C(=O)c2ccc(Oc3cccc(C#N)c3)nc2)CC1,CHEMBL1172336,6.96
+CC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1,CHEMBL1169985,6.59
+CSc1ccc(Oc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)cc1,CHEMBL1169984,6.64
+CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)nc2)CC1,CHEMBL1172335,7.11
+c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1171443,7.52
+Fc1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1173809,7.92
+O=[N+]([O-])c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172753,7.7
+FC(F)(F)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172754,8.74
+FC(F)(F)c1cccc(N2CCC(Cc3cnc[nH]3)CC2)c1,CHEMBL1172579,9.0
+CC(C)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172712,7.85
+CC(C)c1cccc(N2CCC(Cc3cnc[nH]3)CC2)c1,CHEMBL1172774,9.0
+COc1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172775,8.27
+CC(C)(C)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172776,7.85
+CNc1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1169687,8.8
+CN(C)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1170855,8.85
+c1ccc2cc(N3CCC(Cc4cnc[nH]4)CC3)ccc2c1,CHEMBL1173390,7.8
+c1ccc(-c2ccc(N3CCC(Cc4cnc[nH]4)CC3)cc2)cc1,CHEMBL1173391,7.21
+c1cncc(N2CCC(Cc3cnc[nH]3)CC2)c1,CHEMBL1173033,6.9
+FC(F)(F)c1ccc(SCC(c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243305,7.74
+CC(C)(C)c1ccc(SCC(c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243333,6.28
+FC(F)(F)c1ccc(SCC(c2ccccn2)c2cnc[nH]2)cc1,CHEMBL1243334,7.12
+CC(C)(C)c1ccc(SCC(c2ccccn2)c2cnc[nH]2)cc1,CHEMBL1243335,7.8
+FC(F)(F)c1ccc(SCC(c2cccnc2)c2cnc[nH]2)cc1,CHEMBL1243365,6.92
+CC(C)(C)c1ccc(SCC(c2cccnc2)c2cnc[nH]2)cc1,CHEMBL1243366,7.19
+FC(F)(F)c1ccc(SCC(c2ccncc2)c2cnc[nH]2)cc1,CHEMBL1243367,6.7
+CC(C)(C)c1ccc(SCC(c2ccncc2)c2cnc[nH]2)cc1,CHEMBL1243393,6.89
+FC(F)(F)c1ccc(SC[C@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243394,7.85
+FC(F)(F)c1ccc(SC[C@@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243395,6.74
+c1ccc(-c2cnc(CCCCN3CCCCC3)o2)cc1,CHEMBL1257573,7.2
+c1cncc(-c2noc(CCCCN3CCCCC3)n2)c1,CHEMBL1257574,6.96
+c1ccc(-c2nc(SCCCN3CCCCC3)sc2-c2ccccc2)cc1,CHEMBL1257694,8.13
+c1ccc(-c2nc(SCCCN3CCCCC3)oc2-c2ccccc2)cc1,CHEMBL1257695,7.49
+c1cc(-c2nnc(SCCCN3CCCCC3)o2)ccn1,CHEMBL1257816,6.73
+c1ccc(-c2nc(OCCCN3CCCCC3)sc2-c2ccccc2)cc1,CHEMBL1257584,7.95
+C1CCN(CCCOc2nc3c(s2)CN(CCCN2CCCCC2)CC3)CC1,CHEMBL1257934,7.7
+CN(C)CCCOc1nc2c(s1)CCN(C)C2,CHEMBL1255715,6.59
+CN(C)CCCOc1nc2c(s1)CCCC2=O,CHEMBL1255763,6.82
+CN1CCc2sc(OCCCN3CCCCC3)nc2C1,CHEMBL1255764,7.62
+CCN1CCc2sc(OCCCN3CCCCC3)nc2C1,CHEMBL1257353,7.85
+c1ccc(CN2CCc3sc(OCCCN4CCCCC4)nc3C2)cc1,CHEMBL1257461,6.58
+C1CCN(CCCOc2nc3c(s2)CCN(CCCN2CCCCC2)C3)CC1,CHEMBL1257462,7.7
+C1CCN(CCCOc2nc3c(s2)CCCC3)CC1,CHEMBL1255765,6.45
+C1CCN(CCCOc2nc3c(s2)CCOC3)CC1,CHEMBL1255802,6.46
+Brc1nc(OCCCN2CCCCC2)sc1-c1ccccc1,CHEMBL1257582,7.03
+Cc1nc(OCCCN2CCCCC2)sc1-c1ccccc1,CHEMBL1257583,7.39
+CC(=O)c1nc(OCCCN2CCCCC2)sc1C,CHEMBL1255803,6.81
+CC(C)N1CCC(Oc2cc3cc4n(c3cc2Br)[C@@H](C)CN(CC2CC2)C4=O)CC1,CHEMBL1258079,8.7
+CC(C)N1CCC(Oc2cc3cc4n(c3cc2Br)[C@@H](C)CNC4=O)CC1,CHEMBL1258078,8.4
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1,CHEMBL1257486,8.3
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccncc3)C2=O)CC1,CHEMBL1257487,8.3
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)N(CC3CC3)C2=O)CC1,CHEMBL1257965,8.3
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccccc3F)C2=O)CC1,CHEMBL1257256,8.22
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccccn3)C2=O)CC1,CHEMBL1257377,8.22
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1,CHEMBL1257850,8.22
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccc(F)cc3)C2=O)CC1,CHEMBL1257376,8.15
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)cc1n2CCNC1=O,CHEMBL1258308,8.15
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CC3CC3)C2=O)CC1,CHEMBL1257138,8.05
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)NC2=O)CC1,CHEMBL1257729,8.05
+C[C@H]1CC[C@H](C)N1CCCOc1ccc2c(c1)cc1n2CCNC1=O,CHEMBL1258309,7.96
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccc(F)c3)C2=O)CC1,CHEMBL1257257,7.85
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCCNC2=O)CC1,CHEMBL1258755,7.77
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCCN(CC3CC3)C2=O)CC1,CHEMBL1257728,7.77
+O=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc12,CHEMBL1258193,7.74
+COCCN1CCn2c(cc3cc(OC4CCN(C(C)C)CC4)ccc32)C1=O,CHEMBL1257608,7.72
+C[C@H]1CCCN1CCCOc1ccc2c(c1)cc1n2CCNC1=O,CHEMBL1258194,7.68
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCNC2=O)CC1,CHEMBL1258754,7.6
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3[C@H](C)CNC2=O)CC1,CHEMBL1257851,7.59
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C(C)C)C2=O)CC1,CHEMBL1258874,7.57
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C)C2=O)CC1,CHEMBL1258873,7.51
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CC(F)(F)F)C2=O)CC1,CHEMBL1257139,7.47
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3[C@@H](C)CNC2=O)CC1,CHEMBL1257964,7.38
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CCO)C2=O)CC1,CHEMBL1257607,7.34
+O=C1NCCn2c1cc1cc(OC3CCN(CC4CC4)CC3)ccc12,CHEMBL1255600,6.89
+CC(C)N1CCN(C(=O)c2cccc3[nH]cc(CN4CCOCC4)c23)CC1,CHEMBL1270762,5.31
+CC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCCCC4)c3c2)CC1,CHEMBL1270763,7.06
+CC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCOCC4)c3c2)CC1,CHEMBL1270863,6.74
+CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)c[nH]c3c2)CC1,CHEMBL1270864,8.55
+CC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)c[nH]c3c2)CC1,CHEMBL1270966,8.68
+CC(C)N1CCN(C(=O)c2cccc3c(CN4CCCCC4)c[nH]c23)CC1,CHEMBL1270967,7.57
+CC(C)N1CCN(C(=O)c2cccc3c(CN4CCOCC4)c[nH]c23)CC1,CHEMBL1271071,7.92
+CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)cn(S(C)(=O)=O)c3c2)CC1,CHEMBL1271072,8.72
+CC(C)N1CCN(Cc2c[nH]c3cc(C(=O)N4CCCCC4)ccc23)CC1,CHEMBL1271175,7.06
+O=C(c1ccc2c(CN3CCN(C4CCC4)CC3)c[nH]c2c1)N1CCOCC1,CHEMBL1271176,7.37
+O=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CC2)CC1,CHEMBL1271276,8.7
+O=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CCC2)CC1,CHEMBL1271277,8.85
+CC(C)N1CCCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1,CHEMBL1271381,9.05
+CC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1,CHEMBL1271382,7.82
+O=C(c1cccc2c(CN3CCCCC3)c[nH]c12)N1CCN(C2CCC2)CC1,CHEMBL1269849,8.8
+O=C(c1cccc2c(CN3CCOCC3)c[nH]c12)N1CCN(C2CCC2)CC1,CHEMBL1269850,8.31
+O=C(c1cccc2c(CN3CCOCC3)c[nH]c12)N1CCNCC1,CHEMBL1269957,5.67
+O=C(c1cccc2c(CN3CCN(C4CCC4)CC3)c[nH]c12)N1CCCCC1,CHEMBL1269958,6.62
+CC(C)N1CCN(C(=O)c2ccc3scc(CN4CCCCC4)c3c2)CC1,CHEMBL1270064,7.3
+O=C(c1ccc2scc(CN3CCCCC3)c2c1)N1CCN(C2CCC2)CC1,CHEMBL1270065,7.82
+CC(C)N1CCN(C(=O)c2ccc3scc(C(=O)N4CCCCC4)c3c2)CC1,CHEMBL1270172,5.48
+O=C(c1ccc2scc(C(=O)N3CCCCC3)c2c1)N1CCN(C2CCC2)CC1,CHEMBL1270173,6.28
+COc1ccc(-c2ccc(CNC(=O)NC3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1,CHEMBL241376,5.29
+Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1,CHEMBL241589,5.85
+COc1ccc(-c2ccc(CN(CC(=O)C(C)(C)O)C(=O)NC3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1,CHEMBL241795,6.24
+COc1ccccc1-c1ccc(CN(CC(=O)C(C)(C)O)C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1,CHEMBL399004,5.0
+Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4cccc(C#N)c4)cc3)CC2)cc1,CHEMBL238605,5.55
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)C)cc2)cc1,CHEMBL239905,5.19
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4cccc(C#N)c4)cc3)C(=O)NC(C)C)CC2)cc1,CHEMBL240116,6.07
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL240126,5.68
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)COC(C)=O)cc2)cc1,CHEMBL392012,6.0
+COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1,CHEMBL392013,5.98
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL240339,5.79
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1,CHEMBL240341,5.95
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL392015,6.26
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1,CHEMBL391920,6.11
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1,CHEMBL396447,6.2
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL396448,5.88
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1,CHEMBL240912,6.09
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)CO)cc2)cc1,CHEMBL441148,5.03
+COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)CO)cc1,CHEMBL240939,5.18
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4cccc(C#N)c4)cc3)C(=O)NC(C)(C)CO)CC2)cc1,CHEMBL392156,5.94
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1,CHEMBL240537,6.05
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1,CHEMBL391203,5.67
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL391618,5.06
+CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12,CHEMBL1277411,8.13
+CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277500,8.8
+CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277501,9.55
+CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277594,8.85
+CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277595,9.05
+CNCCc1cnc[nH]1,CHEMBL268490,8.4
+C[C@H](N)Cc1cnc[nH]1,CHEMBL11919,7.2
+N=C(NCc1ccc(Cl)cc1)SCCCCc1cnc[nH]1,CHEMBL1632409,8.6
+Cc1nc[nH]c1CCN,CHEMBL275443,5.2
+CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1,CHEMBL1632411,5.6
+O=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)NC1CCCC1,CHEMBL1641821,7.31
+c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641822,7.1
+COc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641823,7.5
+N#Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641824,7.37
+Fc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641825,7.21
+Clc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641826,7.31
+Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641827,7.22
+CC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641828,8.4
+Clc1cc(Cl)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641829,7.14
+COc1cc(OC)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641830,7.82
+COc1cc(Cl)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641831,7.92
+COc1cc(C#N)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641832,7.92
+COc1cc(F)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641833,7.8
+Fc1cc(F)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641834,7.3
+N#Cc1cc(C#N)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL1641835,7.64
+c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)nc1,CHEMBL1641836,7.52
+COc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1,CHEMBL1641837,8.46
+Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1,CHEMBL1641838,8.21
+c1cnc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)nc1,CHEMBL1641839,6.99
+C1=NN=CC1=C1NN=C(N2CCC(N3CCCCC3)CC2)S1,CHEMBL1641840,6.72
+COc1ncc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)s1,CHEMBL1641841,7.55
+COc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641842,7.4
+CCN1CCN(c2nnc(-c3ccc(OC)cc3)s2)CC1,CHEMBL1641843,6.79
+COc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)s2)cc1,CHEMBL1641844,6.74
+COc1ccc(-c2nnc(N3CCN4CCCC4C3)s2)cc1,CHEMBL1641845,6.19
+COc1ccc(-c2nnc(N3CCC(N4CCCC4)CC3)s2)cc1,CHEMBL1641846,6.22
+COc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL1641847,7.4
+Fc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL1641848,7.44
+Clc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL1641849,7.16
+C=c1ccccc1=C1NN=C(N2CCC(N3CCCCC3)CC2)S1,CHEMBL1641850,7.44
+CC(=O)c1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL1641851,8.08
+N#Cc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641852,7.44
+Fc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641853,7.41
+Clc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641854,6.79
+Cc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1641855,6.79
+CC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1,CHEMBL1642113,7.19
+c1ccc(Cc2cn(CCc3cnc[nH]3)nn2)cc1,CHEMBL1688939,6.42
+c1ccc(Cc2cn(CCCc3cnc[nH]3)nn2)cc1,CHEMBL1688940,7.09
+c1ccc(Cc2cn(CCCCc3cnc[nH]3)nn2)cc1,CHEMBL1688941,6.23
+c1ncc(CCCn2cc(CN3CCCCC3)nn2)[nH]1,CHEMBL1688942,6.42
+CN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1,CHEMBL1688943,5.57
+CC(C)(C)c1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688944,6.72
+CCCCCc1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688945,6.98
+c1ncc(CCCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688946,6.9
+c1ncc(CCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688969,7.12
+c1ncc(CCCCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688970,6.49
+c1ncc(CCCn2cc(C3CCCCC3)nn2)[nH]1,CHEMBL1688971,7.15
+c1ncc(CCCn2cc(CCC3CCCCC3)nn2)[nH]1,CHEMBL1688972,7.44
+CCCCCCCc1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688973,7.01
+CC(c1cn(CCCc2cnc[nH]2)nn1)C1CCCCC1,CHEMBL1688974,7.22
+c1ncc(CCCn2cc(CC3CCCCCC3)nn2)[nH]1,CHEMBL1688975,6.95
+c1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1,CHEMBL1688976,7.04
+c1ncc(CCn2cc(CC3CCCC3)nn2)[nH]1,CHEMBL1688977,6.94
+CC(c1cn(CCc2cnc[nH]2)nn1)C1CCCCC1,CHEMBL1688978,7.12
+c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1,CHEMBL1688979,5.2
+CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1,CHEMBL1688981,6.1
+c1c(CC2CCCCC2)nnn1CCCN1CCCCC1,CHEMBL1688982,6.31
+COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767147,6.2
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767136,6.38
+CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767139,6.5
+Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,CHEMBL1767148,6.6
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O,CHEMBL1767138,6.6
+CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O,CHEMBL1767145,6.7
+CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O,CHEMBL1767151,6.7
+CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL639,6.815
+CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,CHEMBL1767156,6.9
+CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767135,6.9
+CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767157,7.1
+COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,CHEMBL1767137,7.1
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1765111,8.4
+CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL1767163,8.1
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767159,9.3
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767161,8.7
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767167,9.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767162,9.4
+COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1,CHEMBL1767165,9.5
+O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767166,9.4
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767164,9.6
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,CHEMBL1767160,9.6
+O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL1767168,9.6
+CC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)cn2C)CC1,CHEMBL1783917,6.85
+CC(C)N1CCN(C(=O)c2cc(CN3CCCCC3)cn2C)CC1,CHEMBL1783916,7.49
+COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)s1,CHEMBL1783915,8.36
+CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)s2)CC1,CHEMBL1783914,7.59
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)s2)CC1,CHEMBL1783913,7.92
+COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)o1,CHEMBL1783912,7.46
+CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1,CHEMBL1783911,7.27
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1,CHEMBL1783897,8.47
+CC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)c2)CC1,CHEMBL1783898,7.43
+CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)c2)CC1,CHEMBL1783877,8.49
+COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)cs1,CHEMBL1783899,6.45
+CC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)n2)CC1,CHEMBL1783900,6.17
+CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)n2)CC1,CHEMBL1783901,6.96
+COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)co1,CHEMBL1783902,6.34
+CC(C)N1CCN(C(=O)c2coc(CN3CCOCC3)n2)CC1,CHEMBL1783903,6.16
+CC(C)N1CCN(C(=O)c2coc(CN3CCCCC3)n2)CC1,CHEMBL1783904,6.7
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cn2)CC1,CHEMBL1783905,8.82
+CC(C)N1CCN(C(=S)c2ccc(CN3CCCCC3)nc2)CC1,CHEMBL1783906,8.24
+CC(C)N1CCN(C(=O)c2cnc(CN3CCOCC3)cn2)CC1,CHEMBL1783892,7.64
+CC(C)N1CCN(C(=O)c2cnc(CN3CCCCC3)cn2)CC1,CHEMBL1783891,8.96
+CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)nc2)CC1,CHEMBL1783894,7.82
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1,CHEMBL1783893,8.96
+COCCNCc1cc(OCCCN2CCCCC2)no1,CHEMBL1783907,7.1
+c1c(OCCCN2CCCCC2)noc1CN1CCOCC1,CHEMBL1783908,7.07
+c1c(OCCCN2CCCCC2)noc1CN1CCCCC1,CHEMBL1783909,8.39
+c1cc(OCCCN2CCCCC2)ncc1CN1CCCCC1,CHEMBL1783910,9.15
+c1cc(CN2CCOCC2)ncc1OCCCN1CCCCC1,CHEMBL1783896,8.16
+c1cc(CN2CCCCC2)ncc1OCCCN1CCCCC1,CHEMBL1783895,9.05
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,CHEMBL1783889,8.995
+CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL1783890,9.694
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,8.7
+C[C@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1813053,7.8
+O=c1ccc(-c2ccc(OCCCN3CCCC3)cc2)n[nH]1,CHEMBL1813054,7.8
+O=c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]1,CHEMBL1813055,8.06
+O=c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)n[nH]1,CHEMBL1813056,6.12
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1,CHEMBL1813057,8.888
+CCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O,CHEMBL1813058,8.41
+CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O,CHEMBL1813059,8.32
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1,CHEMBL1829470,8.6
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1,CHEMBL1813061,8.16
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1=O,CHEMBL1813062,7.68
+Cn1nc(-c2ccc(OCCCN3CCC[C@H]3CO)cc2)ccc1=O,CHEMBL1813063,8.04
+Cn1nc(-c2ccc(OCCCN3CCC[C@@H]3CO)cc2)ccc1=O,CHEMBL1813064,6.53
+C[C@@H]1CCCN1CCCOc1ccc(-n2ncccc2=O)cc1,CHEMBL1813066,7.09
+CN([C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1)S(=O)(=O)c1ccccc1,CHEMBL1824251,8.26
+CN[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824250,8.49
+CCCCN[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824249,9.19
+CCCCN[C@H]1CC[C@@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824248,9.28
+c1ccc(CN[C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1,CHEMBL1824247,9.59
+c1ccc(CN[C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1,CHEMBL1824246,9.54
+c1ccc2c(c1)CN([C@H]1CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC1)C2,CHEMBL1824245,9.77
+c1ccc2c(c1)CN([C@H]1CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC1)C2,CHEMBL1824244,9.39
+OC1CCN([C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1,CHEMBL1824243,9.24
+OC1CCN([C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1,CHEMBL1824242,9.04
+c1cc([C@H]2CC[C@H](N3CCOCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824241,9.39
+c1cc([C@H]2CC[C@@H](N3CCOCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824240,9.17
+CN1CCN([C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1,CHEMBL1824239,9.49
+CN1CCN([C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1,CHEMBL1824238,9.04
+CC1CCN([C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1,CHEMBL1824237,9.25
+c1cc([C@H]2CC[C@H](N3CCCCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824236,9.19
+c1cc([C@H]2CC[C@H](N3CCCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824235,9.6
+c1cc([C@H]2CC[C@@H](N3CCCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824234,9.48
+c1cc([C@H]2CC[C@H](N3CCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824233,9.6
+c1cc([C@H]2CC[C@@H](N3CCC3)CC2)ccc1OCCCN1CCCCC1,CHEMBL1824232,9.47
+CN(C)[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824231,9.68
+CN(C)[C@H]1CC[C@@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824230,9.52
+O=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1824229,8.77
+c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL1823340,8.52
+C=C(N(C)Cc1ccc(-c2ccccc2)cc1)N1CCN(C(C)C)CC1,CHEMBL1823339,7.43
+COc1nccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12,CHEMBL507360,10.03
+Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(F)cccc2c1=O,CHEMBL454642,10.11
+Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(C(F)(F)F)cccc2c1=O,CHEMBL453894,9.66
+Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O,CHEMBL453893,10.2
+Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12,CHEMBL508712,10.51
+COc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12,CHEMBL453892,9.81
+COc1ccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc2c1,CHEMBL454879,10.03
+COc1ccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c2c1,CHEMBL453654,10.03
+COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12,CHEMBL453653,9.81
+Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O,CHEMBL455681,9.64
+Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O,CHEMBL488249,10.16
+O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1Cc1ccccc1,CHEMBL487059,10.01
+O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1-c1ccccc1,CHEMBL487060,9.3
+CC(C)n1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,CHEMBL488251,9.55
+CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,CHEMBL487230,9.81
+CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,CHEMBL519067,9.55
+Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,CHEMBL487064,9.43
+Cc1nc2c(C(F)(F)F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL476322,9.16
+Cc1nc2cc(C(F)(F)F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL477364,9.51
+Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL477363,9.39
+Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL515150,9.33
+Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL476106,9.2
+Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL479252,9.3
+Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL477356,9.16
+COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12,CHEMBL477990,9.39
+COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1,CHEMBL477991,9.51
+COc1ccc2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc2c1,CHEMBL477201,9.14
+COc1cccc2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc12,CHEMBL477152,8.94
+Cc1cccc2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc12,CHEMBL478616,9.2
+Cc1ccc2c(=O)n(-c3ccc(OCCCN4CCCC4)cc3)c(C)nc2c1,CHEMBL478615,9.51
+Cc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1,CHEMBL478406,8.9
+Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12,CHEMBL479242,9.51
+O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL479241,9.66
+CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL479036,9.6
+CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL515004,9.66
+CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL476723,9.3
+Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL476373,8.96
+O=c1c2ccccc2ncn1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL518431,8.96
+COc1cccc2c1O[C@H](c1ccc(OCCCN3CCCC3)cc1)[C@@H](C)S2(=O)=O,CHEMBL557718,9.22
+COc1cccc2c1OC(c1ccc(OC3CCN(C4CCC4)CC3)cc1)C(C)S2(=O)=O,CHEMBL562870,9.79
+COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@H](C)C3)cc1)C(C)S2(=O)=O,CHEMBL550517,9.8
+COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@@H]3C)cc1)C(C)S2(=O)=O,CHEMBL563779,9.1
+COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@H]3C)cc1)C(C)S2(=O)=O,CHEMBL560863,9.7
+COc1cccc2c1OC(c1ccc(OCCCN3CCCCC3)cc1)C(C)S2(=O)=O,CHEMBL550050,9.47
+COc1cccc2c1OC(c1ccc(OCCCN3CCCC3)cc1)C(C)S2(=O)=O,CHEMBL562722,9.4
+COc1ccc2c(c1)OC(c1ccc(OCCCN3CCCC3)cc1)C(C)S2(=O)=O,CHEMBL561324,9.52
+COc1ccc2c(c1)S(=O)(=O)C(C)C(c1ccc(OCCCN3CCCC3)cc1)O2,CHEMBL565007,9.4
+COc1cccc2c1S(=O)(=O)C(C)C(c1ccc(OCCCN3CCCC3)cc1)O2,CHEMBL549639,9.3
+CC1=C(c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O,CHEMBL556100,9.05
+C[C@H]1[C@H](c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O,CHEMBL1823180,8.4
+CC1=C(c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1,CHEMBL560923,8.05
+C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1,CHEMBL550393,8.7
+c1ccc([C@@H]2Sc3ccccc3O[C@@H]2c2ccc(OCCCN3CCCC3)cc2)cc1,CHEMBL564514,8.52
+CC[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1,CHEMBL549433,8.22
+C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1,CHEMBL557853,8.17
+COCC1CCCN1S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1823054,8.3
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCC(O)C3)cc2)cc1,CHEMBL1823053,8.6
+COC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1,CHEMBL554506,9.2
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2)cc1,CHEMBL560140,9.0
+CC1COCC(C)N1S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL561279,8.2
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccncc3)cc2)cc1,CHEMBL558655,9.8
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1,CHEMBL558456,9.5
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,CHEMBL552279,8.7
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1,CHEMBL563118,8.6
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1,CHEMBL558260,8.6
+COCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL550405,8.5
+CCC(CO)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1823052,8.2
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL558923,8.3
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CHEMBL562629,8.8
+CCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1823051,8.37
+COC(=O)N1CC(Oc2ccc(F)cc2)CC1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1823050,8.82
+COC(=O)N1CC(Oc2cccc(F)c2)CC1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1823049,8.8
+O=C(C1CC(Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1,CHEMBL1823048,8.8
+N#Cc1ccc(OC2CNC(C(=O)N3CCCN(C4CCCC4)CC3)C2)cc1,CHEMBL1823047,8.4
+N#Cc1ccc(OC2CNC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1,CHEMBL1823046,8.62
+O=C(C1CC(Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1823045,8.7
+O=C(C1CC(Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1823044,8.8
+O=C(C1CC(Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1823043,8.6
+O=C(C1CC(Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1,CHEMBL1823042,8.47
+CC1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1,CHEMBL1822869,9.0
+CC1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1,CHEMBL1822868,8.6
+CC1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1,CHEMBL1822867,8.3
+COC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1,CHEMBL1822866,8.46
+COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1822865,9.15
+Cc1nc(C)c(-c2ccc3cc(CCN4CCCC4C)ccc3n2)cc1C(N)=O,CHEMBL1822864,9.0
+Cc1nc(C)c(-c2ccc3cc(CCN4CCCC4C)ccc3n2)cc1C#N,CHEMBL1822863,9.52
+CN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL1822862,9.7
+CCOC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL1822861,7.98
+O=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1,CHEMBL1822860,8.8
+COc1ccccc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1822859,8.66
+c1cc(-c2ccc3c(c2)OCO3)ccc1OCCCN1CCCCC1,CHEMBL1822858,8.44
+c1cc(C2CCOCC2)ccc1OCCCN1CCCCC1,CHEMBL1822857,8.08
+c1cc(C2CCCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822856,8.28
+c1cc(N2CCCCC2)ccc1OCCCN1CCCCC1,CHEMBL1822855,8.31
+c1cc(C2CCCCC2)ccc1OCCCN1CCCCC1,CHEMBL1822854,8.55
+C1=C(c2ccc(OCCCN3CCCCC3)cc2)CCC1,CHEMBL1822853,8.8
+c1cc(C2=NCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822852,8.44
+c1ncc(-c2ccc(OCCCN3CCCCC3)cc2)o1,CHEMBL1822851,8.6
+Cn1nccc1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1822850,8.74
+c1c[nH]c(-c2ccc(OCCCN3CCCCC3)cc2)n1,CHEMBL1822849,8.32
+c1cc(C2CCCO2)ccc1OCCCN1CCCCC1,CHEMBL1822690,8.05
+c1coc(-c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL1822689,8.3
+c1csc(-c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL1822688,8.85
+Cn1nc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)ccc1=O,CHEMBL1823402,8.57
+Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823403,8.545
+Cn1nc(-c2ccc(N3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823405,7.03
+CC(C)N1CCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1823406,6.96
+Cn1nc(-c2ccc(N3CCN4CCC[C@H]4C3)cc2)ccc1=O,CHEMBL1823407,6.51
+Cn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823408,6.87
+CC(C)N1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1823409,6.78
+Cn1nc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)ccc1=O,CHEMBL1823410,8.0
+O=C(c1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL1823411,7.8
+O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL1823412,7.77
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(=O)[nH]n2)cc1,CHEMBL1829474,8.51
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCO)n2)cc1,CHEMBL1829469,8.52
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ncccn3)n2)cc1,CHEMBL1829472,8.85
+Cc1cc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n[nH]c1=O,CHEMBL1829473,8.47
+Cc1cc(=O)[nH]nc1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1829475,8.54
+C[C@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C,CHEMBL1829485,8.62
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1,CHEMBL1829337,8.47
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1Cl,CHEMBL1829479,8.36
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CC(F)(F)F)n2)cc1,CHEMBL1829468,8.24
+C[C@@H]1CCCN1CCCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccn2)cc1,CHEMBL1829476,7.92
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1F,CHEMBL1829477,8.24
+C[C@@H]1CCCN1CCCOc1c(F)cc(-c2ccc(=O)[nH]n2)cc1F,CHEMBL1829481,8.15
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1,CHEMBL1829471,8.0
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)c(F)c1,CHEMBL1829478,7.8
+C[C@@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C,CHEMBL1829486,7.82
+C[C@@H]1CCCN1CCCOc1c(F)cc(-c2ccc(=O)n(C)n2)cc1F,CHEMBL1829480,7.96
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1C#N,CHEMBL1829483,7.42
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cn1,CHEMBL1829484,7.46
+COc1cc(OCCCN2CCC[C@H]2C)ccc1-c1ccc(=O)[nH]n1,CHEMBL1829482,6.82
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2)cc1,CHEMBL1836033,6.6
+CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1,CHEMBL1836034,7.82
+CCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1,CHEMBL1836031,7.77
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1,CHEMBL1836035,8.38
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1,CHEMBL1836036,7.59
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1,CHEMBL1836037,8.17
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCC3)C2)cc1,CHEMBL1836038,7.68
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCC3)C2)cc1,CHEMBL1836039,8.46
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCCC3)C2)cc1,CHEMBL1833994,8.28
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCC3)C2)cc1,CHEMBL1836040,8.33
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCCCC3)C2)cc1,CHEMBL1836041,7.31
+Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCCC3)C2)cc1,CHEMBL1835986,7.49
+Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc1,CHEMBL1835987,6.76
+CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C(C)C)C1,CHEMBL1835988,7.72
+CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1,CHEMBL1835989,7.82
+Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1,CHEMBL1835990,6.71
+CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1,CHEMBL1835991,7.59
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1,CHEMBL1835992,8.8
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1,CHEMBL1835993,8.57
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCC3)C2)cc1,CHEMBL1835994,8.05
+CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4ccccc43)cc2)C1,CHEMBL1835995,8.4
+CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1,CHEMBL1835996,8.14
+CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1,CHEMBL1835997,7.82
+CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1,CHEMBL1835998,8.15
+CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1,CHEMBL1835999,8.74
+CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1,CHEMBL1836000,8.44
+CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)cc2)C1,CHEMBL1836001,6.74
+CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1,CHEMBL1836002,6.84
+CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1,CHEMBL1836003,6.68
+Cc1nc2ccccc2n1-c1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1,CHEMBL1836004,9.4
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(c1=O)CCCC2,CHEMBL1835787,8.82
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1,CHEMBL1835786,9.1
+CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)C2CCCC2C1=O,CHEMBL1835785,8.64
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)C3CCCC23)cc1,CHEMBL1835784,8.8
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(c1=O)CCC2,CHEMBL1835783,9.3
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCC3)cc1,CHEMBL1835782,9.4
+O=c1c2ccsc2c(-c2ccc(OCCCN3CCCCC3)cc2)nn1Cc1ccc(Cl)cc1,CHEMBL1835781,7.32
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccsc23)cc1,CHEMBL1835780,8.62
+CCCn1nc(-c2ccc(OCCCN3CCC(C)CC3)cc2)c2sccc2c1=O,CHEMBL1835779,7.64
+CCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O,CHEMBL1835778,8.82
+CC(C)n1nc(-c2ccc(OCCCN3CCCC3)cc2)c2sccc2c1=O,CHEMBL1835777,8.4
+CCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1,CHEMBL1835776,7.64
+COC[C@H]1CCCN1CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1,CHEMBL1835775,5.95
+COC[C@@H]1CCCN1CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1,CHEMBL1835774,7.3
+CC(C)n1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2sccc2c1=O,CHEMBL1835773,8.72
+CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O,CHEMBL1835772,8.59
+O=c1c2ccccc2c(-c2ccc(OCCCN3CCCCC3)cc2)nn1Cc1ccc(Cl)cc1,CHEMBL1835771,7.96
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1,CHEMBL1835770,8.34
+Cn1nc(-c2ccc(OCCCN3CCCCCC3)cc2)c2ccccc2c1=O,CHEMBL1835708,8.85
+Cn1nc(-c2ccc(OCCCN3CCCC3)cc2)c2ccccc2c1=O,CHEMBL1835707,8.77
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O,CHEMBL1835706,9.1
+Cn1nc(-c2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1=O,CHEMBL1835705,7.08
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CHEMBL1835704,9.1
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(C)n2)cc1,CHEMBL1917464,8.15
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1917465,7.51
+Cn1nc(-c2ccc(CCN3CCCC3)cc2)ccc1=O,CHEMBL1917466,7.08
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1,CHEMBL1917467,7.47
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1,CHEMBL1917468,7.89
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(Cl)cc3)n2)cc1,CHEMBL1917639,8.1
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1,CHEMBL1917640,8.3
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1,CHEMBL1917641,7.33
+COc1cccc(C(O)(COc2ccccc2C)CN2CCN(C)CC2)c1,CHEMBL1916492,5.6
+CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1,CHEMBL1915534,5.09
+CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1,CHEMBL1916494,4.87
+CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1,CHEMBL1915535,6.19
+CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1,CHEMBL1916498,6.08
+CN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1,CHEMBL1916499,7.27
+Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL43934,8.98
+c1ccc(CN/C(=N/C2CCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923023,7.37
+c1ccc(CN/C(=N/C2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923024,8.01
+CCCCN/C(=N/C1CCCC1)SCCCc1cnc[nH]1,CHEMBL1923025,7.33
+Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1Cl,CHEMBL1923026,8.99
+CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL1923027,8.31
+Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2cnc[nH]2)cc1,CHEMBL1923028,7.77
+Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2cnc[nH]2)cc1Cl,CHEMBL1923029,7.49
+c1ncc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)[nH]1,CHEMBL1923030,7.73
+CC(C)(C)N/C(=N/C1CCCC1)SCCCc1cnc[nH]1,CHEMBL1923031,7.17
+CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1923032,8.33
+N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923033,8.79
+O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923034,8.94
+c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21,CHEMBL1923529,6.22
+c1ccc2c(N3CCN(C4CCCC4)CC3)ncnc2c1,CHEMBL1923530,7.0
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]c2)cc1,CHEMBL1923728,8.11
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1,CHEMBL1923729,9.15
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccn(C)c(=O)c2)cc1,CHEMBL1923730,8.49
+C[C@@H]1CCCN1CCCOc1ccc(-c2cccc(=O)n2C)cc1,CHEMBL1923731,8.31
+C[C@@H]1CCCN1CCCOc1ccc(-c2cccn(C)c2=O)cc1,CHEMBL1923732,7.74
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)c2)cc1,CHEMBL1923733,8.74
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)c2)cc1,CHEMBL1923734,8.33
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1,CHEMBL1923735,8.7
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(C#N)c(=O)n(C)c2)cc1,CHEMBL1923736,8.47
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2)cc1,CHEMBL1923737,8.46
+C[C@@H]1CCCN1CCCOc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1,CHEMBL1923738,9.05
+C[C@@H]1CCCN1CCCOc1cccc(-c2ccc(=O)n(C)c2)c1,CHEMBL1923739,6.95
+COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934523,8.38
+CCCCC(c1ccc(-c2ccc(C)cc2)cc1)N1CCCCC1,CHEMBL1934067,4.87
+CCCCCc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934066,4.89
+COc1ccc(OCCC[C@@H](c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCC[C@@H]2C)cc1,CHEMBL1934065,8.69
+COc1ccc(OCCC[C@H](c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCC[C@@H]2C)cc1,CHEMBL1934064,8.9
+C[C@H]1CCCN1[C@@H](CCCOc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934063,8.59
+C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934062,9.29
+COCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934061,9.06
+COCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934060,8.7
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C,CHEMBL1934059,8.61
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C,CHEMBL1934058,8.52
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934057,8.9
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934056,8.81
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C,CHEMBL1934055,8.61
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C,CHEMBL1934054,8.63
+CCCCC(c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCCC1,CHEMBL1934053,8.89
+C[C@@H]1CCCN1Cc1ccc(-c2ccc(C(Cc3ccccc3)N3CCCCC3)cc2)cc1,CHEMBL1934052,8.25
+CN(C)C(Cc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934051,7.78
+c1ccc(CC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCCCC2)cc1,CHEMBL1934050,7.72
+C[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934049,9.18
+C[C@@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934048,8.83
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2)cc1,CHEMBL1935100,8.49
+C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2)cc1,CHEMBL1935101,7.43
+O=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1,CHEMBL1935102,7.13
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1,CHEMBL1935103,8.3
+CC(C)N1N=C(c2ccc(OCCCN3CCC[C@H]3C)cc2)CCC1=O,CHEMBL1935104,8.05
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(CC(F)(F)F)C(=O)CC2)cc1,CHEMBL1935105,8.3
+O=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)=NN1CC(F)(F)F,CHEMBL1935106,7.42
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1,CHEMBL1935107,8.0
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1,CHEMBL1935108,8.7
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccn3)C(=O)CC2)cc1,CHEMBL1935109,7.92
+CC1CC(c2ccc(OCCCN3CCC[C@H]3C)cc2)=NNC1=O,CHEMBL1935110,8.72
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1935111,8.25
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCCC2)cc1,CHEMBL1935112,7.08
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1935113,7.68
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(C)(C)C2)cc1,CHEMBL1935114,8.37
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2(C)C)cc1,CHEMBL1935115,7.7
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1,CHEMBL1935116,8.06
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2c2ccccn2)cc1,CHEMBL1935117,8.0
+CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1,CHEMBL1935571,6.73
+CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1,CHEMBL1935572,7.2
+CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1,CHEMBL1935573,7.01
+Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,CHEMBL1935574,5.47
+OCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935407,6.9
+CC(O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935408,7.6
+CC[C@@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935409,7.82
+CC[C@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935410,7.59
+CC(C)(O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935411,7.74
+COCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935412,7.38
+CSCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935413,7.42
+CSCCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935414,7.82
+CS(=O)(=O)CCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935415,7.41
+CS(=O)(=O)CCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935416,8.0
+c1cc2c(cc1O[C@@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935417,7.57
+c1cc2c(cc1O[C@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935418,7.82
+c1cc2c(cc1OC1CCSC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935419,7.77
+c1cc2c(cc1OCC1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935420,7.74
+c1cc2c(cc1OCC1CCCO1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935421,7.8
+c1cc2c(cc1OC1CCOCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1933091,7.82
+c1cc2c(cc1OC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935422,7.64
+c1cc2c(cc1OCC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935423,7.92
+O=S1(=O)CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)C1,CHEMBL1935424,7.64
+O=S1(=O)CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL1935425,8.15
+O=S1(=O)CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL1935426,8.4
+CN1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1,CHEMBL1938842,4.54
+CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1,CHEMBL1938843,4.44
+CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1,CHEMBL1915345,5.06
+CN1C[C@H]2CN(C(=O)c3nc4ccc(F)cc4[nH]3)C[C@H]2C1,CHEMBL1915346,4.81
+CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1,CHEMBL1915347,4.75
+CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1,CHEMBL1915348,5.51
+CN1C[C@H]2CN(C(=N)c3nc4ccc(F)cc4[nH]3)C[C@H]2C1,CHEMBL1938977,5.92
+CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1,CHEMBL1938979,5.42
+C[C@@H]1CCCN1CCCOc1ccc(-c2cnn(-c3ccccn3)c(=O)c2)cc1,CHEMBL1945843,8.77
+O=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)cn[nH]1,CHEMBL1945852,7.85
+Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945851,8.52
+Cc1cccnc1-n1nc(C)c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cc1=O,CHEMBL1945850,8.22
+Cc1cccc(-n2nc(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)cc2=O)n1,CHEMBL1945849,8.4
+Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945848,8.52
+Cc1nn(C)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945847,8.4
+CC1=NNC(=O)CC1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945846,7.82
+Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945845,8.3
+O=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cn[nH]1,CHEMBL1945844,8.7
+C[C@H]1CC(=O)NN=C1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950747,8.11
+C[C@@H]1CC(=O)NN=C1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950746,8.25
+Cc1cc(=O)[nH]nc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950734,8.36
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1950733,8.01
+CC(C)N1CCC(Oc2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1950646,8.04
+Cn1nc(-c2ccc(OC3CCNCC3)cc2)ccc1=O,CHEMBL1950645,6.16
+O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1,CHEMBL1950644,8.29
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)n[nH]1,CHEMBL1950643,8.72
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NNC1=O,CHEMBL1950745,8.15
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O,CHEMBL1950744,7.92
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O,CHEMBL1950743,8.57
+O=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1,CHEMBL1950742,8.43
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)nn1-c1ccccn1,CHEMBL1950741,7.47
+CC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O,CHEMBL1950740,8.19
+Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O,CHEMBL1950739,8.23
+Cn1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O,CHEMBL1950738,8.74
+O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)n[nH]1,CHEMBL1950737,7.59
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)n[nH]1,CHEMBL1950736,8.2
+CC(C)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1,CHEMBL1950735,7.82
+O=C(CN1CCCCC1)c1ccc(OCCCN2CCCC2)cc1,CHEMBL1951052,7.49
+O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1,CHEMBL1951053,6.97
+O=C(CN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1951054,7.18
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951055,8.27
+C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951056,7.0
+COC[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951059,5.93
+CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1,CHEMBL1951060,8.1
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1,CHEMBL1951061,8.05
+C[C@H]1CN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)C[C@@H](C)O1,CHEMBL1951062,8.0
+Cc1cc(OCCCN2CCC[C@H]2C)ccc1C(=O)CN1CCOCC1,CHEMBL1951063,7.72
+CC1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951064,7.92
+C=Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958144,6.43
+CC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958145,6.18
+C[C@@H]1CCCN1c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958146,6.82
+c1ccc2c(c1)CN(c1cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c1)C2,CHEMBL1958147,6.59
+c1cnc(N2CCC(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)CC2)nc1,CHEMBL1958148,6.45
+OCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,CHEMBL1958149,6.6
+CC(C)C(O)c1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,CHEMBL1958136,6.42
+CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,CHEMBL1958137,6.63
+CC(=O)Nc1ccccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958150,5.82
+NC(=O)c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,CHEMBL1958151,6.54
+FC(F)(F)c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,CHEMBL1958152,6.62
+O=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,CHEMBL1958153,7.24
+N#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccc1F,CHEMBL1958154,7.44
+N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,CHEMBL1958155,7.43
+c1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,CHEMBL1958156,7.02
+c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1,CHEMBL1958157,7.43
+c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)nc1,CHEMBL1958158,7.33
+N#Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,CHEMBL1958159,6.6
+Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cn1,CHEMBL1958160,6.56
+Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cn1,CHEMBL1958161,7.15
+Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1,CHEMBL1955889,6.71
+COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1,CHEMBL1958162,7.37
+COc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1,CHEMBL1958163,7.64
+Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1,CHEMBL1958164,7.43
+Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1,CHEMBL1958165,7.82
+Cc1cccnc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958166,7.82
+FC(F)(F)c1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1,CHEMBL1958167,6.84
+CCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1,CHEMBL1958168,7.1
+c1cc2c(c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)c1)OCCO2,CHEMBL1958169,6.93
+O=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1,CHEMBL1958170,6.96
+O=c1nc[nH]c2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc12,CHEMBL1958171,6.82
+COc1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc12,CHEMBL1958172,7.1
+c1cnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc2c1,CHEMBL1958173,7.46
+Cc1nnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12,CHEMBL1958174,7.48
+O=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12,CHEMBL1958175,6.92
+O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12,CHEMBL1958176,7.6
+c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1,CHEMBL1958177,8.4
+c1cn2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cnc2cn1,CHEMBL1958178,7.74
+c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958179,5.92
+Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1,CHEMBL1958180,5.4
+CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013047,7.33
+c1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL2013048,8.52
+CS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013045,8.15
+CCS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013044,8.15
+CC(C)S(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013049,8.15
+O=S(=O)(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013050,8.05
+CC(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013051,8.4
+CC(C)C(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013052,8.7
+O=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013053,8.22
+CC(O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL2031599,7.54
+Cc1nnc(-c2cccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)c2)o1,CHEMBL2031600,7.64
+c1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c2ccncc2c1,CHEMBL2031601,7.75
+Cc1nnc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cn12,CHEMBL2031602,8.47
+Cc1nc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2o1,CHEMBL2031603,7.61
+c1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n2nccc2c1,CHEMBL2031604,8.49
+c1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1,CHEMBL2031605,8.34
+CN(C)C(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL2031606,6.72
+O=C(c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1)N1CCC1,CHEMBL2031607,7.1
+O=C(c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1)N1CCC1,CHEMBL2031608,8.36
+CC(=O)Nc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL2031609,7.78
+O=c1cccnn1-c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1,CHEMBL2031610,7.92
+O=C1Cc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2N1,CHEMBL2031611,7.19
+O=C1COc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cc2N1,CHEMBL2031612,7.66
+O=c1ccc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2[nH]1,CHEMBL2031613,8.0
+O=c1ccc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cc2[nH]1,CHEMBL2031614,7.44
+O=c1ccc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2[nH]1,CHEMBL2031615,7.7
+O=c1ccoc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cc12,CHEMBL2031616,7.9
+Cc1cc(=O)c2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2o1,CHEMBL2031617,7.08
+O=c1ccnc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cn12,CHEMBL2031618,7.89
+O=c1ccnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccn12,CHEMBL2031619,8.68
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(C)nc1-2,CHEMBL2031470,8.44
+CC(C)n1nc2c(cc1=O)CCc1cc(OCCCN3CCC[C@H]3C)ccc1-2,CHEMBL2031471,8.38
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(-c3ccccc3)nc1-2,CHEMBL2031472,7.8
+O=c1cc2c(nn1Cc1ccccc1)-c1ccc(OCCCN3CCCCC3)cc1CC2,CHEMBL2031473,6.98
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)[nH]nc1-2,CHEMBL2031474,8.37
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC1CC(=O)NN=C21,CHEMBL2031475,7.82
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1n[nH]c(=O)cc1-2,CHEMBL2031476,8.21
+O=C1CC2CCc3cc(OC4CCN(C5CCC5)CC4)ccc3C2=NN1,CHEMBL2031477,7.77
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL2031737,9.4
+O=C1c2ccc(-c3ccccc3)cc2CCN1CCN1CCCC1,CHEMBL2031742,7.94
+O=C1c2ccc(-c3ccccc3F)cc2CCN1CCN1CCCC1,CHEMBL2031743,7.85
+O=C1c2ccc(-c3cccc(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031744,7.94
+O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031745,7.96
+N#Cc1cccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c1,CHEMBL2031746,8.47
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031747,8.41
+O=C1c2ccc(-c3cccc(C(F)(F)F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031748,8.19
+O=C1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031749,8.03
+O=C1c2ccc(-c3cccc(OC(F)(F)F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031750,7.55
+O=C1c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031751,7.83
+O=C1c2ccc(-c3ccc(F)cc3F)cc2CCN1CCN1CCCC1,CHEMBL2031752,8.09
+O=C1c2ccc(-c3ccc(F)c(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031753,8.11
+O=C1c2ccc(-c3cc(F)cc(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031754,8.05
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCCN2CCCC2)C3=O)cc1,CHEMBL2031755,8.16
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCCN2CCCCC2)C3=O)cc1,CHEMBL2031756,7.74
+O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCCC1,CHEMBL2031757,8.11
+O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCCCC1,CHEMBL2031758,8.24
+C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O,CHEMBL2031759,7.9
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O,CHEMBL2031760,8.92
+C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(C#N)cc3)ccc2C1=O,CHEMBL2031761,8.68
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C#N)cc3)ccc2C1=O,CHEMBL2031762,9.1
+C[C@@H]1CCCN1CCN1CCc2c(cccc2-c2ccc(C#N)cc2)C1=O,CHEMBL2031763,7.66
+C[C@@H]1CCCN1CCN1CCc2ccc(-c3ccc(C#N)cc3)cc2C1=O,CHEMBL2031764,8.62
+C[C@@H]1CCCN1CCN1Cc2c(cccc2-c2ccc(C#N)cc2)C1=O,CHEMBL2031861,7.62
+C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(C#N)cc3)ccc2C1=O,CHEMBL2031862,9.22
+C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(C#N)cn3)ccc2C1=O,CHEMBL2031863,8.92
+C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(C#N)nc3)ccc2C1=O,CHEMBL2031864,9.52
+O=C1c2ccc(-c3ccncc3)cc2CCN1CCN1CCCC1,CHEMBL2031865,8.11
+O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1)C1CC1,CHEMBL2031866,8.22
+NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031867,8.22
+CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031868,8.89
+CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031869,8.92
+CC(C)NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031870,8.72
+O=C(NC1CC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031871,8.57
+O=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031872,8.68
+O=C(NC1CCCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031873,8.72
+CN(C)C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031874,9.05
+O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1)N1CCCC1,CHEMBL2031875,8.62
+C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031876,8.77
+C[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031877,8.77
+O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1)N1CCCC1,CHEMBL2031878,8.49
+O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1F)N1CCCC1,CHEMBL2031879,8.89
+O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1Cl)N1CCCC1,CHEMBL2031880,8.8
+CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1,CHEMBL2031881,8.77
+CN(C)C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1,CHEMBL2031882,8.51
+CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1,CHEMBL2031883,9.0
+CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1,CHEMBL2031884,9.0
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C1=O,CHEMBL2031885,9.7
+O=C1c2ccc(-n3cnc4ccccc43)cc2CCN1CCN1CCCC1,CHEMBL2031741,9.1
+c1ccc(CCN2C3CCC2CC3)cc1,CHEMBL2030627,5.11
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C#N)CC2)cc1,CHEMBL2036641,8.2
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C(F)(F)F)CC2)cc1,CHEMBL2036642,8.6
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)CC2)cc1,CHEMBL2036643,7.96
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCC(F)(F)C2)cc1,CHEMBL2036644,8.05
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)C2)cc1,CHEMBL2036645,8.47
+CC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036646,8.55
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)C(F)(F)F)CC2)cc1,CHEMBL2036647,8.68
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL2036634,8.47
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL2036635,8.72
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL2036648,9.22
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1,CHEMBL2036649,8.38
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1,CHEMBL2036650,8.7
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cccn3C)CC2)cc1,CHEMBL2036651,9.05
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1,CHEMBL2036652,8.92
+COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036653,8.49
+CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036654,8.4
+CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036655,8.34
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccccc3)CC2)cc1,CHEMBL2036656,8.41
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccc(F)cc3)CC2)cc1,CHEMBL2036657,8.52
+COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O,CHEMBL2037608,8.4
+COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c(OC)c1=O,CHEMBL2037609,8.3
+COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O,CHEMBL2037610,8.0
+COc1cn[nH]c(=O)c1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL2037611,7.7
+C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCC[C@H]1C,CHEMBL2037604,8.52
+C[C@@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCC[C@H]1C,CHEMBL2037605,7.57
+C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1,CHEMBL2037606,7.6
+C[C@@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1,CHEMBL2037607,7.33
+c1cnc(C2CN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)CCO2)cn1,CHEMBL2048595,8.1
+OC1(c2ncccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048593,7.17
+FC1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048592,8.4
+OC1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048591,7.28
+COC1(c2ccccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048590,7.96
+C1=C(c2ccccn2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL2048589,8.52
+C1=C(c2ncccn2)CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1,CHEMBL2048588,7.85
+C1=C(c2ccccn2)CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1,CHEMBL2048587,7.92
+CC1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC(C)O1,CHEMBL2048586,7.28
+FC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048585,7.18
+OC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048584,7.34
+COC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048583,7.43
+c1ccc(C2CCCN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)C2)cc1,CHEMBL2048582,7.12
+FC1(F)CCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1,CHEMBL2048581,7.82
+FC1(F)CCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1,CHEMBL2048414,7.21
+O=C1CCCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL2048413,6.92
+O=C1N(c2ccccc2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1,CHEMBL2048412,7.52
+O=C1N(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CCN1C1CCCC1,CHEMBL2048411,7.47
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146810,6.2
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146811,6.2
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O,CHEMBL2146812,6.2
+O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,CHEMBL2146813,9.25
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146802,6.36
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,CHEMBL2146803,6.4
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O,CHEMBL2146804,6.4
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146805,6.4
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146806,6.2
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,CHEMBL2146801,6.2
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146484,6.6
+CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146807,6.2
+COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,CHEMBL2146808,6.2
+CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,CHEMBL2146809,6.5
+N#Cc1ccc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](Cc4cscn4)NC(=O)c4ccco4)CC3)cc2)cc1,CHEMBL2151194,8.8
+C[C@@H]1CCCN1CCc1cc2cc(-c3cn[nH]c3)ccc2o1,CHEMBL2151195,9.3
+C[C@@H]1CCCN1CCc1ccc2cc(-n3ncccc3=O)ccc2c1,CHEMBL2151196,9.1
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)cc1,CHEMBL2151155,9.5
+CC1(C)CCCN(CCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)O)c5ccccc45)CC3)cc2)C1,CHEMBL2151156,7.3
+CC(C)N1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1,CHEMBL2151157,9.7
+CC(C)CNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1,CHEMBL2206292,8.898
+CCNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1,CHEMBL2151197,8.705
+CCN(C)C(=O)[C@H]1C[C@@H](c2ccc(CN3CCCC3)c(F)c2)C1,CHEMBL2206291,8.612
+c1cnc(OC[C@H]2C[C@H](c3ccc(CN4CCCC4)cc3)C2)nc1,CHEMBL2206289,7.992000000000001
+c1cc([C@H]2C[C@@H](CN3CCOCC3)C2)ccc1CN1CCCC1,CHEMBL2206288,8.855
+COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1,CHEMBL2207640,5.26
+Nc1nc(N2CCNCC2)c2cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL2314497,4.07
+CN1CCN(c2cc(N)nc(N)n2)CC1,CHEMBL473662,5.97
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,8.19
+CN[C@@H]1CCN(c2nc(N)nc3cc(C(C)C)cnc23)C1,CHEMBL2376807,6.84
+CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)cnc23)C1,CHEMBL2376806,6.0
+CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1,CHEMBL2376805,6.08
+CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1,CHEMBL2376804,6.2
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1,CHEMBL2376803,6.82
+CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1,CHEMBL2376802,5.02
+CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376801,5.82
+CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376800,6.11
+CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1,CHEMBL2376799,6.67
+CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1,CHEMBL1915540,6.73
+CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1,CHEMBL2376798,6.75
+CCc1ccc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376797,6.22
+CCc1ccc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376796,6.21
+CCc1ccc2c(N3CCNCC3)nc(N)nc2c1,CHEMBL2376795,6.66
+CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1,CHEMBL2376794,6.16
+Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1,CHEMBL2376793,6.81
+CNC1CN(c2nc(N)nc3cc(C(C)(C)C)ccc23)C1,CHEMBL2376792,6.31
+CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1,CHEMBL2376791,6.07
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1,CHEMBL2376790,6.8
+Nc1nc(N2CCNCC2)c2ccc(C3CCCC3)cc2n1,CHEMBL2376789,6.48
+OCCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375582,7.49
+OCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375589,7.64
+OCCC#Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375586,7.72
+OC1(c2ccc(OCCCN3CCCCC3)cc2)CCC1,CHEMBL2375596,7.74
+OCC#Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375585,7.82
+OC(c1ccc(OCCCN2CCCCC2)cc1)C1CCOCC1,CHEMBL2375581,7.89
+C=CC(O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375591,8.07
+C=CCC(O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375592,8.16
+CC(C)(O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375590,8.17
+OC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1,CHEMBL2375579,8.39
+CC(C)(O)CCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375584,8.4
+OC1(c2ccc(OCCCN3CCCCC3)cc2)CCCCC1,CHEMBL2375598,8.41
+CC(O)CCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375583,8.48
+OC(c1ccc(OCCCN2CCCCC2)cc1)C1CCCCC1,CHEMBL2375580,8.54
+O[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL2375587,8.59
+OC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL2375588,8.72
+CCC(O)(CC)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375593,8.85
+OC1(c2ccc(OCCCN3CCCCC3)cc2)CCCC1,CHEMBL2375597,9.09
+CCCC(O)(CCC)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375594,9.13
+C=CCC(O)(CC=C)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2375595,9.27
+CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1,CHEMBL2387310,7.77
+O=C(Nc1ccc(OCCCN2CCCCC2)cc1)Nc1ccc(F)cc1F,CHEMBL2387309,7.28
+Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl,CHEMBL2387307,6.95
+Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2391167,8.07
+Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F,CHEMBL2391166,7.86
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,5.22
+CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,CHEMBL519609,6.02
+Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403551,6.52
+Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403548,6.09
+Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403550,8.47
+Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403549,7.74
+c1cc(OCCCN2CCCCC2)ccc1CCCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2413840,9.05
+O=C(CCc1ccc(OCCCN2CCCCC2)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2413839,9.19
+c1cc(CN2CCCCC2)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL2413838,9.26
+c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCCCC2)c1,CHEMBL2413837,10.35
+c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1CCCN1CCCCC1,CHEMBL2413836,9.77
+C(=C\c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CN1CCCCC1,CHEMBL2413835,10.24
+C(#Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1,CHEMBL2413834,9.17
+CN1CCN(c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)CC1,CHEMBL2413833,9.64
+C(=C/c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CN1CCCCC1,CHEMBL2413832,9.18
+c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1CN1CCCCC1,CHEMBL2413831,8.79
+FC1(F)CCN(CCCOc2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)CC1,CHEMBL2413830,8.03
+c1cc(-c2ccc(OCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1,CHEMBL2413829,9.31
+c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCCN1CCCCC1,CHEMBL2413828,9.89
+O=C(/C=C/c1ccc(OCCCN2CCCCC2)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL2413827,9.28
+c1cc(OCCCN2CCCCC2)ccc1CCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2413826,8.92
+c1cc(OCCCN2CCCCC2)ccc1Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL2413825,9.29
+c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1,CHEMBL2413824,10.0
+O=C(NCCOc1ccccc1Cl)OCCCc1cnc[nH]1,CHEMBL2413362,6.15
+O=C(NCCCCOc1ccccc1)OCCCc1cnc[nH]1,CHEMBL2413361,5.98
+O=C(NCCCOc1ccccc1)OCCCc1cnc[nH]1,CHEMBL2413360,5.89
+O=C(NCCc1ccc(Cl)cc1)OCCCc1cnc[nH]1,CHEMBL2413359,6.37
+O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789356,5.71
+O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789801,6.07
+O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789800,6.6
+CC/C=C/CCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789782,6.59
+CCC/C=C/CNC(=O)OCCCc1cnc[nH]1,CHEMBL1789799,6.62
+C=CCCCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789558,6.85
+C=CCCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789360,6.26
+O=C(NCCC1CC1)OCCCc1cnc[nH]1,CHEMBL1789829,6.77
+c1ccc2c(CCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1,CHEMBL2419581,8.37
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,5.69
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5C4)CC3)CC2)ccn1,CHEMBL2436629,8.7
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccc(F)cc5C4)CC3)CC2)ccn1,CHEMBL2436630,8.7
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1,CHEMBL2436631,8.15
+Cn1c2c(c3ccccc31)CCN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CC2,CHEMBL2436632,7.82
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCCc5ccccc5C4)CC3)CC2)ccn1,CHEMBL2436623,7.44
+COc1ccc2c(c1)CN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CCC2,CHEMBL2436624,8.7
+COc1ccc2c(c1)CCCN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)C2,CHEMBL2436625,9.0
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCNc5ccccc5C4)CC3)CC2)ccn1,CHEMBL2436626,9.0
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)CC2)ccn1,CHEMBL2436627,8.7
+N#Cc1ccc2c(c1)CN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CC2,CHEMBL2436628,8.7
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5Cc5ccccc54)CC3)CC2)ccn1,CHEMBL2436616,8.4
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccccc54)CC3)CC2)ccn1,CHEMBL2436617,8.15
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)CC2)ccn1,CHEMBL2436618,7.96
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5cccnc54)CC3)CC2)ccn1,CHEMBL2436619,8.15
+Cc1nnc2n1-c1sccc1CN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)C2,CHEMBL2436620,9.0
+Cc1nnc2n1-c1sccc1C(=O)N(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)C2,CHEMBL2436621,7.57
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5CC4)CC3)CC2)ccn1,CHEMBL2436622,9.0
+Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5-c5ccccc5C4)CC3)CC2)ccn1,CHEMBL2436633,8.7
+Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1,CHEMBL2441636,9.0
+COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,CHEMBL2441082,7.35
+Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C,CHEMBL3087669,10.0
+c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092647,8.8
+c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092646,8.6
+c1cncc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)c1,CHEMBL3092645,8.6
+c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1,CHEMBL3092644,8.5
+c1ccc(COc2ccc3c(c2)CCN(C2CCC2)CC3)cc1,CHEMBL3092643,9.6
+O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1,CHEMBL3092825,9.9
+O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092824,9.5
+O=C1CCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092823,10.1
+CC1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092822,9.5
+O=C1C[C@@H](O)CN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092821,9.7
+CN1CCN(c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)C1=O,CHEMBL3092820,10.0
+O=C1OCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092651,9.8
+c1cc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)n[nH]1,CHEMBL3092649,9.6
+c1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1,CHEMBL3092648,9.3
+Cc1noc(C)c1-c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092835,9.3
+Cc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1,CHEMBL3092834,9.8
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1,CHEMBL3092833,9.3
+CCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092832,9.2
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092831,9.3
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1,CHEMBL3092830,8.9
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1,CHEMBL3092829,9.3
+CC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092828,10.0
+CC(=O)Nc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092827,9.7
+CC(C)NC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092826,9.9
+CCN(C)C(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3091477,9.2
+O=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1,CHEMBL3092840,9.6
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092839,9.3
+Cc1nc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)ccc1C#N,CHEMBL3092838,9.7
+c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092837,9.1
+O=C(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1,CHEMBL3092836,9.0
+Cc1cc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)no1,CHEMBL3094127,8.8
+O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1,CHEMBL3094126,9.3
+CS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1,CHEMBL3094125,9.1
+c1cc2c(cc1OC1CCNCC1)CCN(C1CCC1)CC2,CHEMBL3094124,9.5
+c1cc2c(cc1OCC1CCNCC1)CCN(C1CCC1)CC2,CHEMBL3094123,9.3
+Cn1c(=O)ccc2cc(COc3ccc4c(c3)CCN(C3CCC3)CC4)ccc21,CHEMBL3094122,9.4
+c1ccc(COc2ccc3c(c2)CCN(C2CCCCC2)CC3)cc1,CHEMBL3094121,8.0
+c1ccc(COc2ccc3c(c2)CCN(C2CCCC2)CC3)cc1,CHEMBL3094120,9.1
+c1ccc(COc2ccc3c(c2)CCN(C2CC2)CC3)cc1,CHEMBL3094119,8.3
+CC(C)N1CCc2ccc(OCc3ccccc3)cc2CC1,CHEMBL3094117,7.7
+CC(C)CN1CCc2ccc(OCc3ccccc3)cc2CC1,CHEMBL3094116,7.6
+CN1CCc2ccc(OCc3ccccc3)cc2CC1,CHEMBL3094115,6.5
+c1ccc(COc2ccc3c(c2)CCN(CC2CC2)CC3)cc1,CHEMBL3094114,8.0
+c1cc2c(cc1OCCN1CCCCC1)CCN(CC1CC1)CC2,CHEMBL3094217,9.1
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCO1)CC2,CHEMBL3094216,9.3
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CC1)CC2,CHEMBL3094215,9.3
+c1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1,CHEMBL3094214,8.0
+CC(C)N1CCC(Oc2ccc3c(c2)CCNCC3)CC1,CHEMBL3094213,8.6
+c1cc2c(cc1OCCN1CCCCC1)CCNCC2,CHEMBL3094212,6.8
+c1cc2c(cc1OCCCN1CCOCC1)CCNCC2,CHEMBL3094210,7.0
+CN(C)CCCOc1ccc2c(c1)CCNCC2,CHEMBL3094209,7.0
+c1cc2c(cc1OCCCN1CCCCC1)CCNCC2,CHEMBL3094130,8.4
+c1cc2c(cc1OCCCN1CCCCC1)CCNC2,CHEMBL209238,8.6
+c1cc2c(cc1OCCCN1CCCCC1)CCN2,CHEMBL3094129,7.8
+O=C(N[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1)c1ccc2c(c1)OCO2,CHEMBL3094128,10.6
+CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121093,8.44
+O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC12,CHEMBL3121092,8.43
+CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)C4CC34)cc2)CC1,CHEMBL3121091,8.4
+CC(C)N1CCC(Oc2ccc(C3=NNC(=O)C4CC34)cc2)CC1,CHEMBL3121090,8.04
+CCN1CCC(Oc2ccc(C3=NNC(=O)C4CC34)cc2)CC1,CHEMBL3121101,6.76
+O=C1C2CC2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1,CHEMBL3121100,8.46
+CC(C)N1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121099,8.16
+CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121098,8.35
+CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121097,8.4
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@H]12,CHEMBL3121096,8.17
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@@H]12,CHEMBL3121095,8.42
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC12,CHEMBL3121094,8.33
+CC(C)N1CCN(C(=O)N2CC3(CCN(C4CCOCC4)CC3)C2)CC1,CHEMBL3127680,7.01
+CC(C)N1CCN(C(=O)C2CC3(CCN(C4CCOCC4)CC3)C2)CC1,CHEMBL3127679,9.52
+CC(C)N1CCN(C(=O)[C@H]2CC23CCN(C2CCOCC2)CC3)CC1,CHEMBL3124968,9.1
+CC(C)N1CCN(C(=O)[C@@H]2CC23CCN(C2CCOCC2)CC3)CC1,CHEMBL3127672,7.8
+O=C(C1CC12CCN(c1ccncc1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127671,7.26
+O=C(C1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127670,7.68
+O=C(C1CC12CCN(Cc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127669,6.99
+O=C(C1CC12CCN(c1ccccc1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127668,5.78
+CC(C)N1CCC2(CC1)CC2C(=O)N1CCN(C2CCCCC2)CC1,CHEMBL3127709,7.33
+O=C(C1CC12CCN(C1CCCCC1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127708,7.72
+O=C(C1CC12CCNCC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127707,6.36
+O=C(C1CC12CCN(C1CCC1)CC2)N1CCN(C2CCOCC2)CC1,CHEMBL3127706,7.17
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1,CHEMBL3127705,8.08
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCCN(C2CCC2)CC1,CHEMBL3127704,8.52
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCCC2)CC1,CHEMBL3127703,7.19
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCC2)CC1,CHEMBL3127702,7.59
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCC2)CC1,CHEMBL3127701,8.85
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCC2)CC1,CHEMBL3127700,8.89
+O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CC2)CC1,CHEMBL3127699,7.96
+CC(C)N1CCN(C(=O)C2CC23CCN(C2CCOCC2)CC3)CC1,CHEMBL3127698,8.52
+CN1CCN(C(=O)C2CC23CCN(C2CCOCC2)CC3)CC1,CHEMBL3127697,5.89
+CC1(C)COC(c2ccc(OCCCN3CCCCC3)cc2)=N1,CHEMBL3220119,6.8
+CC1(C)COC(c2ccc(O[C@H]3C[C@H](N4CCCCC4)C3)cc2)=N1,CHEMBL3220120,8.1
+c1cc(C2=NC3(CCCCC3)CO2)ccc1OCCCN1CCCCC1,CHEMBL3220121,7.1
+c1cc(C2=NC3(CCCCC3)CO2)ccc1O[C@H]1C[C@H](N2CCCCC2)C1,CHEMBL3220122,8.7
+c1cc(C2=NC3(CCCCC3)CO2)ccc1O[C@H]1C[C@@H](N2CCCCC2)C1,CHEMBL3220123,6.6
+c1cc(-c2nc(CN3CCCCC3)co2)ccc1OCCCN1CCCCC1,CHEMBL3220124,8.2
+c1cc(-c2nc(CN3CCCCC3)co2)ccc1O[C@H]1C[C@H](N2CCCCC2)C1,CHEMBL3220125,8.9
+COC(=O)c1oc(-c2ccc(O[C@H]3C[C@H](N4CCCCC4)C3)cc2)nc1C,CHEMBL3220126,8.7
+Nc1nc(C2CCCC2)cc(N2CCNCC2)n1,CHEMBL3236553,7.62
+CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1,CHEMBL3236568,6.17
+CC(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1,CHEMBL3236549,5.98
+Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238444,9.03
+Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238445,9.62
+C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O,CHEMBL3238446,7.37
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1,CHEMBL3233067,6.25
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238447,7.12
+O=C(O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL3264548,7.89
+Cc1nnc(C2CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC2)o1,CHEMBL3264547,9.32
+CCOC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL3264546,9.64
+CCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL3264550,8.53
+C#CCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL3264549,7.96
+c1cc(OCCCN2CCCCC2)ccc1CN1CCC2(CC1)OCCO2,CHEMBL3264545,8.69
+O=C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1,CHEMBL3264544,8.6
+CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1,CHEMBL3290576,4.88
+CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1,CHEMBL3290578,4.82
+Cc1c[nH]c(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O,CHEMBL3331155,7.2
+O=c1cc[nH]c(=O)n1Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL3331154,7.54
+Cc1c(C)n(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O,CHEMBL3331153,7.75
+Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O,CHEMBL3331152,8.15
+O=c1ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]1,CHEMBL3331151,7.89
+O=c1ccn(CCCN2CCCCC2)c(=O)[nH]1,CHEMBL3331150,5.15
+Cc1c(C)n(C(=O)OC(C)(C)C)c(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O,CHEMBL3331149,7.42
+Cc1cn(C(=O)OC(C)(C)C)c(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O,CHEMBL3331148,7.33
+CC(C)(C)OC(=O)n1ccc(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O,CHEMBL3331147,7.3
+Cc1c(C)n(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)n(C(=O)c2ccccc2)c1=O,CHEMBL3331146,7.46
+Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)n(C(=O)c2ccccc2)c1=O,CHEMBL3331145,7.5
+O=C(c1ccccc1)n1c(=O)ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O,CHEMBL3331144,8.14
+O=C(c1ccccc1)n1c(=O)ccn(CCCN2CCCCC2)c1=O,CHEMBL3331143,5.94
+c1cc2c(cc1OCCCN1CCCCC1)CN1CCCC1=N2,CHEMBL3323035,7.12
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1,CHEMBL3402679,7.52
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1,CHEMBL127307,8.7
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1,CHEMBL3402678,7.03
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1,CHEMBL3402677,8.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1,CHEMBL3402676,7.1
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1,CHEMBL3402675,8.0
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1,CHEMBL3402674,7.22
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1,CHEMBL3402673,7.52
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402672,5.39
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1,CHEMBL3402671,6.64
+CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402670,6.0
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1,CHEMBL3402669,6.1
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1,CHEMBL3402668,8.1
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1,CHEMBL3402667,8.4
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1,CHEMBL3402666,8.22
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1,CHEMBL3402665,8.1
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1,CHEMBL3402664,6.28
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1,CHEMBL3402663,5.96
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402662,6.64
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1,CHEMBL3402661,5.29
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1,CHEMBL3402660,6.17
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1,CHEMBL3402659,5.59
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1,CHEMBL3402658,5.38
+CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1,CHEMBL3402657,8.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1,CHEMBL3402656,8.7
+CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1,CHEMBL3402680,6.37
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1,CHEMBL3402682,6.7
+CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1,CHEMBL3402683,7.22
+CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1,CHEMBL3402684,6.72
+Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21,CHEMBL3402685,6.92
+Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21,CHEMBL3402686,6.4
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1,CHEMBL3417586,8.35
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1,CHEMBL3417585,8.51
+Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12,CHEMBL3417584,7.41
+Cc1cc(OCCCN2CCC[C@@H]2C)ccc1C1=NNC(=O)C2CC12,CHEMBL3417583,7.31
+Cc1cc(OCCCN2CCC[C@H]2C)ccc1C1=NNC(=O)C2CC12,CHEMBL3417582,8.15
+O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)C2CC12,CHEMBL3417507,7.72
+C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1,CHEMBL3417506,7.89
+C[C@H](COc1ccc(C2=NNC(=O)C3CC23)cc1)CN1CCC[C@H]1C,CHEMBL3417505,8.64
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1,CHEMBL3417504,8.43
+O=C(c1ccc(CN2CCC(F)CC2)cc1)N1CCN(C2CC2)CC1,CHEMBL3577960,8.7
+O=C(c1ccc(CN2CCC(F)CC2)cc1)N1CCN(C2CCC2)CC1,CHEMBL3577959,9.15
+CC(C)N1CCN(C(=O)c2ccc(CN3CCC(F)CC3)cc2)CC1,CHEMBL3577958,8.82
+O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1,CHEMBL3577957,8.27
+O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CCC2)CC1,CHEMBL3577956,8.89
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCCC3)cc2)CC1,CHEMBL3577954,9.0
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1,CHEMBL3577953,9.0
+CCN(CC)Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1,CHEMBL3577952,8.22
+CC(C)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1,CHEMBL3577951,8.3
+CN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1,CHEMBL1707983,7.66
+CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,CHEMBL3577950,7.62
+CC(C)N1CCN(C(=O)OC2CCN(c3ccc(=O)[nH]c3)CC2)CC1,CHEMBL3700341,8.86
+c1cc2nc(N3CCN(C4CC4)CC3)sc2cc1CN1CCCC1,CHEMBL3701779,8.74
+c1cc2nc(N3CCN(C4CC4)CC3)sc2cc1CNC1CC1,CHEMBL3701780,9.05
+Nc1nccc(NC2CCNCC2)n1,CHEMBL3694841,6.49
+Nc1nccc(NC2CCN(Cc3ccccc3)CC2)n1,CHEMBL3694846,7.14
+Nc1nccc(N2CCC3(CC2)CNC3)n1,CHEMBL3694840,7.17
+CCC(N)CCNc1ccnc(N)n1,CHEMBL3694829,6.75
+CN(CCCN)c1ccnc(N)n1,CHEMBL3694828,6.5
+Nc1nccc(NC2CNC2)n1,CHEMBL3694839,7.48
+CNCCCNc1ccnc(N)n1,CHEMBL3694827,7.55
+Nc1nccc(N2CCC(N)CC2)n1,CHEMBL3694837,6.52
+CN(C)CCN(C)c1ccnc(N)n1,CHEMBL3694825,6.59
+CN(C)CCNc1ccnc(N)n1,CHEMBL3694843,7.27
+CN1CCN(c2ccnc(N)n2)CC1,CHEMBL501882,7.86
+Nc1nccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1,CHEMBL3694836,6.8
+NCCCNc1ccnc(N)n1,CHEMBL3694826,7.21
+Nc1nccc(N2CCCN(Cc3ccccc3)CCC2)n1,CHEMBL3694838,6.79
+Nc1nccc(N2CCNCC2)n1,CHEMBL3694842,7.62
+Clc1ccc(OCCCCCCCN2CCCCCC2)cc1,CHEMBL3746908,6.69
+CC1CCN(CCCCCCCOc2ccc(Cl)cc2)CC1,CHEMBL3747210,6.33
+CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1,CHEMBL3746252,6.74
+Clc1ccc(OCCCCCCCN2CCCCC2)cc1,CHEMBL3747062,6.89
+CC1CCN(CCCCCCCOc2cccc(Cl)c2)CC1,CHEMBL3747775,6.09
+CC1CCCN(CCCCCCCOc2cccc(Cl)c2)C1,CHEMBL3747262,6.33
+Clc1cccc(OCCCCCCCN2CCCCC2)c1,CHEMBL3745941,6.48
+Clc1ccc(OCCCCCCN2CCCCCC2)cc1,CHEMBL3746955,6.63
+CC1CCN(CCCCCCOc2ccc(Cl)cc2)CC1,CHEMBL3746056,6.72
+CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1,CHEMBL3745921,6.69
+Clc1ccc(OCCCCCCN2CCCCC2)cc1,CHEMBL3746797,6.58
+Clc1cccc(OCCCCCCN2CCCCCC2)c1,CHEMBL3745898,6.53
+CC1CCN(CCCCCCOc2cccc(Cl)c2)CC1,CHEMBL3746159,6.39
+CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1,CHEMBL3747404,6.76
+Clc1cccc(OCCCCCCN2CCCCC2)c1,CHEMBL3745880,6.59
+Clc1ccc(OCCCCCN2CCCCCC2)cc1,CHEMBL3746305,6.43
+CC1CCN(CCCCCOc2ccc(Cl)cc2)CC1,CHEMBL3747286,6.1
+CC1CCCN(CCCCCOc2ccc(Cl)cc2)C1,CHEMBL3745760,6.88
+Clc1ccc(OCCCCCN2CCCCC2)cc1,CHEMBL3746221,6.37
+CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1,CHEMBL494093,5.01
+CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3752270,5.22
+CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1,CHEMBL3752085,5.6
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCOCC3)cc2)C1,CHEMBL3752696,6.99
+CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)cc2)CC1,CHEMBL3754209,8.6
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)CC1,CHEMBL3752081,8.08
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1,CHEMBL3753814,8.8
+CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)cc2F)CC1,CHEMBL3753304,8.14
+CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)CC3)c(F)c2)CC1,CHEMBL3753102,7.98
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2F)CC1,CHEMBL3752705,7.94
+CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)c(Cl)c2)CC1,CHEMBL3752796,7.74
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C4CCC4)CC3)cc2Cl)CC1,CHEMBL3751915,8.15
+O=C(NC1CCN(C2CCC2)CC1)c1ccc(OC2CCN(C3CCC3)CC2)cc1Cl,CHEMBL3753147,8.17
+CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)c(F)c2)CC1,CHEMBL3753170,8.24
+Cc1cc(OC2CCN(C(C)C)CC2)ccc1C(=O)NC1CCN(C2CCC2)C1,CHEMBL3753764,8.04
+Cc1cc(C(=O)NC2CCN(C(C)C)C2)ccc1OC1CCN(C(C)C)CC1,CHEMBL3754726,5.87
+Cc1cc(C(=O)NC2CCN(C3CCC3)C2)ccc1OC1CCN(C(C)C)CC1,CHEMBL3754674,6.42
+CC(C)N1CCC(Oc2ccc3c(c2)CCN(C2CCN(C4CCC4)C2)C3=O)CC1,CHEMBL3753315,8.92
+CC(C)N1CCC(Oc2ccc3c(c2)CCN(C2CCN(C4CCC4)CC2)C3=O)CC1,CHEMBL3754200,8.74
+CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C4CCC4)CC3)cc2)C1,CHEMBL3754205,7.57
+CC(C)CN1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)C1,CHEMBL3753703,8.96
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,5.8
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,5.83
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,5.68
+N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3805361,5.79
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806079,5.965
+CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3806162,5.02
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805220,6.23
+N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805431,6.13
+CN/C(=N\C#N)NC[C@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3804906,6.05
+CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806206,6.195
+CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805437,5.25
diff --git a/chembl_200/CHEMBL265.csv b/chembl_200/CHEMBL265.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7694b4a663173f119f734a3ac8fd55849cfb137f
--- /dev/null
+++ b/chembl_200/CHEMBL265.csv
@@ -0,0 +1,460 @@
+Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2,CHEMBL24077,7.28
+Oc1cc2c(cc1O)C(c1ccccc1)CNCC2,CHEMBL286080,7.19
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,8.697000000000001
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,8.717
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,8.64
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,7.65
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,6.7
+CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL288096,6.04
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,6.92
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,7.01
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,8.33
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1,CHEMBL73665,7.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,CHEMBL71960,6.3
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,CHEMBL294747,6.4
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1,CHEMBL423671,6.8
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL87717,5.55
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1,CHEMBL558817,6.25
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21,CHEMBL544319,6.37
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21,CHEMBL539544,6.89
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,5.87
+COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL540822,5.27
+O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1,CHEMBL542428,5.87
+O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95098,5.88
+O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL96781,5.87
+O=C1c2sccc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL541842,6.87
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21,CHEMBL308480,6.49
+O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL543613,6.53
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1,CHEMBL310734,6.42
+O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL545488,5.51
+CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL119455,7.662000000000001
+CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL416288,5.53
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL117841,6.22
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,CHEMBL25856,7.0
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.403
+Oc1cc2c3c(c1O)CC[C@H]3CNC[C@@H]2c1ccccc1,CHEMBL282710,5.91
+Oc1cc2c3c(c1O)CC[C@@H]3CNC[C@@H]2c1ccccc1,CHEMBL25305,7.62
+NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL291143,7.52
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86931,8.66
+Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CHEMBL588,8.715
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,5.25
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,5.59
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,5.39
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,5.35
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,7.92
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,5.74
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,5.52
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,5.8
+CN(C)CCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL114375,6.09
+CN(C)c1ccc(CCN2CCc3cc(Cl)c(O)cc3C(c3ccccc3)C2)cc1,CHEMBL114726,7.05
+CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL108764,7.433
+Oc1cc2c(cc1Br)CCN(C/C=C/c1ccccc1)CC2c1ccccc1,CHEMBL419759,6.68
+CN(C)c1ccc(/C=C/CN2CCc3cc(Br)c(O)cc3C(c3ccccc3)C2)cc1,CHEMBL326927,6.92
+COc1c(C(C)=O)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL324372,5.32
+COc1c(-c2ccco2)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119150,4.85
+C=Cc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331100,5.84
+CC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL333134,5.33
+C=Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119656,6.14
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,5.44
+CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL432762,7.8
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,7.17
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,5.22
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,4.91
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL27559,6.187
+CCCN1CCc2cccc3c2[C@@H]1Cc1ccccc1-3,CHEMBL27574,5.87
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3,CHEMBL283489,5.85
+CCCN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL31973,6.47
+C(#Cc1cccnc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL108463,5.3
+NCCCC(=O)N1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL422086,6.22
+CN(C)CCCCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1,CHEMBL137583,5.32
+NCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL133094,7.12
+CCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL132545,6.2
+O=CNCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL137636,6.26
+NCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL137637,6.49
+CN(C)CCCCN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1,CHEMBL135616,5.83
+CNCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL108480,7.12
+CNCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL422267,6.97
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,5.52
+COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1,CHEMBL420510,5.8
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1,CHEMBL340641,5.11
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,5.59
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,6.01
+COc1ccccc1N1CCN(CCCCNC(=O)c2nc3ccccc3n3cccc23)CC1,CHEMBL126590,6.11
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1,CHEMBL127344,5.84
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL127400,5.83
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL127317,5.87
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1,CHEMBL435218,5.12
+COc1ccccc1N1CCN(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1,CHEMBL2112643,5.57
+O=C(NCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2ccccc2o1,CHEMBL125193,5.78
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,6.62
+COc1cc2c(cc1OC)C(CCN1CCN(c3ccc(F)cc3)CC1)OCC2,CHEMBL83915,7.59
+Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL63329,6.4
+Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL81330,6.39
+CN1CCc2cc(O)c(O)cc2C1c1ccccc1,CHEMBL135318,6.567
+COc1ccc(CC2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1,CHEMBL87897,5.58
+CC[C@@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL2115213,6.78
+CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL420972,6.15
+C#CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL420788,5.33
+NC[C@@H]1OC(Cc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL87910,6.35
+NC[C@@H]1OC(C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL87172,6.28
+C#CCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL315849,6.39
+NC[C@@H]1OC(CC2CCCC2)Cc2c1ccc(O)c2O,CHEMBL85409,7.52
+NC[C@@H]1OCCc2c1ccc(O)c2O,CHEMBL87958,5.99
+NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL84983,6.61
+CCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL431220,6.06
+NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL83080,5.14
+NC[C@@H]1OC(c2ccc(Br)cc2)Cc2c1ccc(O)c2O,CHEMBL415080,7.28
+CC[C@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL2114209,5.75
+C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL419680,5.81
+NC[C@@H]1OC(COCc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86325,5.64
+Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNC1CC1,CHEMBL86669,6.48
+NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86576,6.43
+NC[C@@H]1OC(C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL313530,7.5
+OCCCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL85552,5.5
+CNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL315750,7.85
+COc1cccc(C2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1,CHEMBL315005,6.51
+NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL314459,8.27
+NC[C@@H]1OC(C2CCCCCCC2)Cc2c1ccc(O)c2O,CHEMBL85689,7.05
+NC[C@@H]1OC(c2ccc(I)cc2)Cc2c1ccc(O)c2O,CHEMBL313304,7.86
+NC[C@@H]1OC2(CCCCC2)Cc2c1ccc(O)c2O,CHEMBL420604,6.32
+C#CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL315535,5.6
+C=CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL84557,5.5
+NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL315468,8.52
+NC[C@@H]1OC(c2cccc(O)c2)Cc2c1ccc(O)c2O,CHEMBL87734,9.31
+CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL82899,7.5
+CN1CCc2cc(Br)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL276326,6.97
+CN1CCc2cc(O)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL54183,6.07
+CN1CCc2cc(Cl)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL431946,7.13
+CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL19130,6.1
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(F)ccc32)cc1,CHEMBL1743798,6.74
+Oc1cc2c(cc1O)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743774,7.19
+COc1cc2c(cc1OC)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743804,6.34
+Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743799,6.97
+CN1CCc2cccc3c2C(C1)CN3c1ccc(F)cc1,CHEMBL173315,8.55
+CN1CCc2cccc3c2c(cn3-c2ccc(F)cc2)C1,CHEMBL176476,7.14
+Fc1ccc(N2CC3CNCCc4cccc2c43)cc1,CHEMBL176990,8.04
+COc1c(Cl)c2c3c(c1OC)N(c1ccc(F)cc1)CC3CN(C)CC2,CHEMBL176356,7.96
+COc1cc2c3c(c1OC)N(c1ccc(F)cc1)CC3CN(C)CC2,CHEMBL178797,7.4
+COc1cc2c3c(c1OC)N(c1ccc(F)cc1)CC3CNCC2,CHEMBL174949,7.06
+Cc1cccc2c1C(CN(C)C)CN2c1ccc(F)cc1,CHEMBL171903,7.62
+NCC1OCCc2c1ccc(O)c2O,CHEMBL99361,5.99
+CN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL120512,7.657999999999999
+CN1CCN(C2Cn3cccc3Sc3ccccc32)CC1,CHEMBL333246,6.735
+OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL42055,7.42
+Oc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1,CHEMBL1788322,6.13
+Oc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1,CHEMBL65397,6.85
+Oc1cc2c(cc1Cl)CCNCC2c1ccccc1,CHEMBL292418,8.63
+CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1,CHEMBL57579,7.65
+CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL293828,6.75
+CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL89934,5.56
+C=CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL318111,6.21
+C=CCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL319557,5.7
+CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL330274,5.87
+C=CCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1788212,6.34
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,6.13
+CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1,CHEMBL135735,8.8
+C[C@@]1(N)Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1,CHEMBL132766,8.26
+CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1,CHEMBL335515,7.565
+CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1,CHEMBL433652,9.055
+Oc1ccc(-c2c(O)c(O)c(Cl)c3c2CCNCC3)cc1,CHEMBL292611,5.79
+CN(C)C1CCc2cc(O)c(O)cc2C1,CHEMBL611801,7.24
+Oc1c(O)c(-c2ccccc2)c2c(c1Cl)CCNCC2,CHEMBL60808,6.15
+Oc1cc2c(c(-c3ccccc3)c1O)CCNCC2,CHEMBL54168,5.75
+NCC1c2cc(O)ccc2-c2c1ccc(O)c2O,CHEMBL57672,7.37
+CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccccc1,CHEMBL300995,5.71
+NCC1c2ccccc2-c2c1ccc(O)c2O,CHEMBL55693,6.42
+NCCc1ccc(O)c(O)c1-c1ccccc1,CHEMBL299511,5.82
+NCCc1ccc(O)c(O)c1-c1ccc(O)cc1,CHEMBL57470,5.78
+CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1,CHEMBL60861,5.76
+Oc1cc2c(cc1O)CCNCC2,CHEMBL57873,6.01
+CCCNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(C)c2O,CHEMBL543389,5.55
+NC[C@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL538520,6.44
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN(C)C,CHEMBL545264,6.55
+CNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(C)c2O,CHEMBL544099,6.58
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN,CHEMBL542436,7.06
+COc1ccc2c(c1O)C[C@@H](c1ccccc1)O[C@H]2CN,CHEMBL555619,6.78
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c(O)cccc21,CHEMBL541838,6.99
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL543390,8.29
+NC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL100572,8.27
+CN1CCc2cccc3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1-3,CHEMBL333836,6.41
+CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL281357,6.14
+CCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL118254,6.57
+CN1CCc2cccc3c2[C@H]1Cc1cccc(C#N)c1-3,CHEMBL115969,6.55
+Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL27940,6.15
+Oc1cccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL332332,5.96
+CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL544618,6.91
+Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)NCC3,CHEMBL541862,6.41
+Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC1CC1)CC3,CHEMBL541867,6.14
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL2111783,7.21
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL119687,7.57
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL2111781,7.66
+CN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL332600,7.29
+CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1,CHEMBL2111782,6.83
+CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL333455,7.51
+CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL368324,7.79
+CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118889,7.74
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL116542,7.7
+OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL118919,7.14
+CCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL333955,7.85
+CN1CCCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118092,7.275
+CN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL121274,7.845
+CCCN1CCC[C@@H](c2ccc(O)c(O)c2)C1,CHEMBL1907814,4.87
+CCCN1CCC[C@H](c2ccc(O)c(O)c2)C1,CHEMBL1907969,4.24
+CN1CCc2cc(O)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL56100,7.17
+CN1CCc2cc(O)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21,CHEMBL301003,5.76
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@H]21,CHEMBL58422,6.27
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL298406,8.72
+COc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1N(C)CC2,CHEMBL292451,7.63
+COc1cc2c(cc1O)CCN(C)[C@H]1CCc3ccccc3[C@@H]21,CHEMBL442740,4.61
+COc1cc2c(cc1O)[C@@H]1c3ccccc3CC[C@@H]1N(C)CC2,CHEMBL294186,5.38
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21,CHEMBL56666,6.305
+CN1CCc2ccc(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL294221,7.14
+COc1cc2c(cc1O)CCN(C)[C@H]1CCc3ccccc3[C@H]21,CHEMBL294215,5.78
+Cc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1N(C)CC2,CHEMBL58205,8.15
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@H]21,CHEMBL294012,6.05
+CN1CCc2cc(Cl)c(O)cc2C2c3ccccc3CCC21,CHEMBL59139,8.48
+CN1CCN(C2=Nc3ccccc3N(C=O)c3ncccc32)CC1,CHEMBL292738,4.52
+CN1CCN(C2=Nc3cnccc3Nc3ccccc32)CC1,CHEMBL66730,4.87
+CN1CCN(C2=Nc3cccnc3Nc3cc(Cl)ccc32)CC1,CHEMBL304493,6.67
+Cc1cnc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2,CHEMBL63590,5.95
+CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1,CHEMBL67284,6.62
+CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1,CHEMBL63756,6.85
+CN1CCN(C2=Nc3ccccc3N(C=O)c3ccncc32)CC1,CHEMBL65768,5.52
+CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL63576,5.67
+CN1CCN(C2=Nc3cccnc3N(C)c3ccccc32)CC1,CHEMBL63390,5.22
+CN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1,CHEMBL67298,6.52
+CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL304902,7.85
+CN1CCN(C2=Nc3cccnc3N(C=O)c3ccccc32)CC1,CHEMBL303435,4.32
+CN1CCN(C2=Nc3cccnc3Nc3ccccc32)CC1,CHEMBL303173,5.62
+CN1CCN(C2=Nc3cccnc3Nc3ccc(F)cc32)CC1,CHEMBL63347,6.17
+CN1CCN(C2=Nc3ccccc3Nc3ncccc32)CC1,CHEMBL67355,6.14
+O=C(c1cccc(CN2CCC(c3ccccc3)C2)c1)N1CCCCC1,CHEMBL281214,4.06
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccccc2)C1,CHEMBL28831,4.9
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccccc2)C1,CHEMBL282822,5.71
+O=C(c1cccc(CN2CCC(c3ccc(Cl)cc3)C2)c1)N1CCCCC1,CHEMBL280534,4.43
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(F)cc2)C1,CHEMBL417661,5.18
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28884,5.79
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28946,5.8
+CCCN(CCC)C1CCc2c(ccc(O)c2O)C1,CHEMBL11845,6.77
+CN1CCc2cc(Cl)c(O)cc2C(c2ccc(I)cc2)C1,CHEMBL34170,8.77
+CN1CCc2cc(I)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL290118,7.87
+Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL176169,7.15
+CN1CCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL426763,8.72
+O=C1NCCN1CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL367087,5.79
+CN1CCN(C2=Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL366679,8.11
+CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL367875,5.12
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,7.71
+CN1CCN(C2=Cn3c(C=O)ccc3Sc3ccccc32)CC1,CHEMBL362060,5.37
+CN1CCN(C2=Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL369367,8.47
+CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1,CHEMBL367180,5.76
+CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL177455,8.23
+CN1CCc2cc(O)c(Cl)cc2CC1,CHEMBL340006,7.34
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCCCC2)C1,CHEMBL336532,8.12
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCCC2)C1,CHEMBL422796,8.0
+CN1CCc2cc(Cl)c(O)cc2C(C2=CCCCC2)C1,CHEMBL131054,8.68
+CN1CCc2cc(Cl)c(O)cc2C(N2CCCCC2)C1,CHEMBL334650,7.0
+CCCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL130851,8.48
+CCOC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL128917,7.62
+CN1CCc2cc(Cl)c(O)cc2C(C2=CCCC2)C1,CHEMBL340855,8.29
+CCSC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL338237,7.48
+CN1CCc2cc(Cl)c(O)cc2C(C2C=CC=CC=C2)C1,CHEMBL128649,8.43
+C=CCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL334728,8.24
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCC2)C1,CHEMBL339342,7.89
+C#CCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL127843,8.06
+CN1CCc2cc(Cl)c(O)cc2C2(CCCC2)C1,CHEMBL336610,7.64
+CN1CCc2cc(Cl)c(O)cc2C(C2C=CCCC2)C1,CHEMBL130328,8.7
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,5.77
+Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2,CHEMBL298285,5.03
+CC(=O)c1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL326159,5.34
+CN1CCc2cccc3c2[C@H]1Cc1ccc(-c2ccccc2)c(O)c1-3,CHEMBL119577,5.03
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL332178,6.41
+CCc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL115524,6.11
+CCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331005,5.99
+CN1CCc2c([nH]c3ccccc23)Cc2[nH]c3ccccc3c2CC1,CHEMBL62529,8.02
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL441618,10.1
+COc1cc2c(cc1OC)Cc1[nH]c3ccccc3c1CCN(C)CC2,CHEMBL63063,7.04
+CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,CHEMBL1255588,8.74
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,4.49
+CCCN1CCc2cccc3c2C1Cc1cc(OC)ccc1O3,CHEMBL350457,5.41
+COc1cc2c3c(c1)Oc1ccccc1CC3N(C)CC2,CHEMBL154948,5.37
+COc1ccc(Br)c(CC2c3c(O)ccc(Br)c3CCN2C)c1,CHEMBL154301,6.41
+CCCN1CCc2c(Br)ccc(O)c2C1Cc1cc(OC)ccc1Br,CHEMBL154015,5.13
+COc1ccc2c(c1)CC1c3c(ccc(Br)c3CCN1C)O2,CHEMBL156011,5.12
+COc1ccc2c(c1)CC1c3c(cccc3O2)CCN1C,CHEMBL157799,5.28
+CCCN1CCc2c(Br)ccc3c2C1Cc1cc(OC)ccc1O3,CHEMBL349311,5.61
+CCN1CCc2cc(O)cc3c2C1Cc1ccccc1O3,CHEMBL439639,5.46
+CN1CCc2cccc3c2C1Cc1cc(O)ccc1O3,CHEMBL155352,5.32
+COc1cc(Br)c2c(c1)CCN(C)C2Cc1ccccc1O,CHEMBL158067,4.93
+CN1CCc2cc(O)cc3c2C1Cc1ccccc1O3,CHEMBL155208,5.53
+CCN1CCc2cccc3c2C1Cc1cc(O)ccc1O3,CHEMBL154468,5.17
+COc1cc(Br)cc2c1C(Cc1ccccc1O)N(C)CC2,CHEMBL350471,5.77
+CCN1CCc2c(Br)ccc(O)c2C1Cc1cc(OC)ccc1Br,CHEMBL155351,5.81
+CCN1CCc2c(Br)ccc3c2C1Cc1cc(OC)ccc1O3,CHEMBL436042,5.46
+CCN1CCc2cc(Br)cc(OC)c2C1Cc1ccccc1O,CHEMBL422169,5.25
+CCN1CCc2cc(OC)cc(Br)c2C1Cc1ccccc1O,CHEMBL347243,5.52
+O=C(CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1)c1ccc(F)cc1,CHEMBL72649,6.04
+O=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21,CHEMBL73675,6.13
+CCCN(CCC)CCc1ccc(O)c(O)c1,CHEMBL15564,5.33
+CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,CHEMBL308295,7.73
+Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL310997,8.19
+Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL80686,6.21
+CCCCN1CCCC1Cc1ccc(O)c(O)c1,CHEMBL80369,8.1
+Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL80974,6.24
+CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL93240,8.7
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1,CHEMBL87026,5.89
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1,CHEMBL87458,5.96
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL87943,5.81
+COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL92145,5.83
+O=C1c2ccsc2CC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL554199,6.9
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21,CHEMBL545727,5.81
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1,CHEMBL542181,5.43
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL544089,5.15
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL544091,5.86
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1,CHEMBL92673,5.6
+O=C(CCCN1CCN(CCC2Cc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95112,6.49
+CSc1ccc2c(c1)C(CCN)=CC2,CHEMBL122536,8.7
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2,CHEMBL155006,5.93
+CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,CHEMBL460,5.8
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2,CHEMBL349997,5.67
+CN1CCc2cc(Cl)c(O)cc2C(c2cccc(Br)c2)C1,CHEMBL13632,9.59
+CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2Br)C1,CHEMBL13325,9.15
+CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL41238,6.9
+CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL38757,6.28
+CCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL44414,8.07
+CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL289867,7.66
+CC(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL446350,7.7
+CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL288846,7.28
+Oc1cc2c(cc1O)[C@@H]1c3sc(C4CCCCC4)cc3CN[C@H]1CC2,CHEMBL41196,6.78
+CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL289927,6.16
+CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL41809,6.36
+Oc1cc2c(cc1O)[C@@H]1c3sc(Cl)cc3CN[C@H]1CC2,CHEMBL290842,8.37
+Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2,CHEMBL43514,5.95
+CCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114444,8.64
+Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2,CHEMBL287931,6.55
+Oc1cc2c(cc1O)[C@@H]1c3cc(Cl)sc3CN[C@H]1CC2,CHEMBL39266,7.92
+Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2,CHEMBL542593,5.42
+CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL291100,7.11
+Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2,CHEMBL554571,7.35
+Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114440,8.24
+Oc1cc2c(cc1O)[C@@H]1c3ccsc3CN[C@H]1CC2,CHEMBL40950,7.14
+CCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL40667,7.89
+CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL417164,6.9
+CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL542351,7.24
+CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL28338,7.85
+Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@H]1CC2,CHEMBL288536,7.15
+Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL41132,7.74
+Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3CN[C@H]1CC2,CHEMBL290149,6.82
+CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114441,8.18
+c1cc2c3c(c1)c1c(n3CCNC2)CCCCCC1,CHEMBL89738,6.18
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL143027,7.54
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL143022,6.71
+Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2,CHEMBL151809,6.12
+CN1CCN(C2=Nc3cccnc3Oc3ccc(Cl)cc32)CC1,CHEMBL149240,5.97
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1,CHEMBL147463,6.52
+CN1CCN(C2=Nc3cccnc3Sc3ccccc32)CC1,CHEMBL435441,5.09
+CN1CCN(C2=Nc3cccnc3Sc3ccc(Cl)cc32)CC1,CHEMBL433744,6.17
+CN1CCN(C2=Nc3ccccc3Oc3ncccc32)CC1,CHEMBL146741,5.62
+CN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1,CHEMBL149108,5.04
+CN1CCN(C2=Nc3ccccc3Sc3ncccc32)CC1,CHEMBL356076,5.79
+CN1CCN(C2=Nc3cnccc3Sc3ccccc32)CC1,CHEMBL151263,4.81
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,5.38
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,5.85
+CN1CCN(C2=Cn3cccc3Sc3sccc32)CC1,CHEMBL180319,8.31
+CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1,CHEMBL179775,6.9
+CN1CCN(C2=Cc3cc(Cl)ccc3Cn3cccc32)CC1,CHEMBL179557,7.32
+Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1,CHEMBL178564,6.64
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL191226,5.35
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL233567,5.7
+CN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL444368,5.86
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL233566,5.55
+COc1cc2c3c(c1)-c1c(ccc(C)c1O)C[C@H]3N(C)CC2,CHEMBL392447,5.75
+O=C(CCCN1CCN2CC3C(CC2C1)c1ccccc1N3CCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL393466,9.19
+O=C(CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccc(F)cc1,CHEMBL136711,6.37
+CCCN1CCc2cc(F)cc3c2[C@H]1Cc1cccc(OC=O)c1-3,CHEMBL258372,6.1
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL404137,6.77
+COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,CHEMBL404136,6.62
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL228082,5.54
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,CHEMBL388342,6.54
+COc1cc2c3c(c1OC)Cc1ccccc1CC3NCC2,CHEMBL254147,5.37
+COc1cc2c3c(c1OC)Cc1ccccc1CC3N(C)CC2,CHEMBL404240,5.14
+Oc1cc2c3c(c1O)Cc1ccccc1CC3NCC2,CHEMBL253948,4.97
+CCCN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL404037,4.65
+CCN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL253947,5.08
+CN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL253738,5.21
+COc1cc2c3c(c1)Cc1ccccc1CC3NCC2,CHEMBL402736,5.2
+CCCN1CCc2cc(OC)cc3c2C1Cc1ccccc1C3,CHEMBL253737,4.94
+CCN1CCc2cc(OC)cc3c2C1Cc1ccccc1C3,CHEMBL253736,5.18
+COc1cc2c3c(c1)Cc1ccccc1CC3N(C)CC2,CHEMBL402735,5.07
+Oc1cc2c3c(c1)Cc1ccccc1CC3NCC2,CHEMBL253530,5.43
+CCCN1CCc2cc(O)cc3c2C1Cc1ccccc1C3,CHEMBL402517,4.52
+CN1CCc2cc(O)cc3c2C1Cc1ccccc1C3,CHEMBL404865,5.19
+COc1cc2c(cc1OC)-c1c(OC)c(O)c(I)c3c1[C@H](C2)N(C)CC3,CHEMBL401690,8.22
+COc1cc2c(cc1OC)-c1c(OC)c(O)c(Br)c3c1[C@H](C2)N(C)CC3,CHEMBL401689,7.82
+COc1cc2c(cc1OC)-c1c(OC)c(OC)c(I)c3c1[C@H](C2)N(C)CC3,CHEMBL401567,5.68
+COc1cc2c(cc1OC)-c1c(OC)c(OC)c(Br)c3c1[C@H](C2)N(C)CC3,CHEMBL403032,6.28
+COc1cc2c(cc1O)C[C@H]1c3c(c(I)c(O)c(OC)c3-2)CCN1C,CHEMBL256075,8.7
+COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL225853,7.31
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL405345,5.77
+CCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL405369,6.89
+COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2,CHEMBL270426,7.34
+CC(C)=CC(O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12,CHEMBL258939,5.85
+C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC,CHEMBL69018,6.72
+CCCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3,CHEMBL480525,5.74
+CCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3,CHEMBL520573,5.43
+COc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2,CHEMBL520262,5.89
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1,CHEMBL477200,5.89
+COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1,CHEMBL476722,6.04
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1,CHEMBL514074,5.8
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1,CHEMBL477765,5.7
+c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL478413,5.25
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL492883,4.89
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cc3ccccc3o2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494511,5.31
+Nc1nc2c(s1)C[C@@H](NCC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL494510,4.19
+Nc1nc2c(s1)C[C@@H](N(CCC1CCCCC1)CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL494509,5.36
+CC(C)CCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494309,4.89
+CCCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494308,5.27
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL495327,5.47
+CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1,CHEMBL492664,4.96
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,5.15
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,5.36
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1,CHEMBL497574,5.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL462508,5.34
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,5.26
+COc1cc2c3c(c1)-c1c(cccc1OC(C)=O)C[C@H]3N(C)CC2,CHEMBL468677,6.28
+CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL482276,5.83
+CCCCC1NCCc2cc(Cl)c(OC)cc21,CHEMBL574418,4.76
+CCCCC1c2cc(OC)c(Cl)cc2CCN1C,CHEMBL574110,5.14
+CCCCC1NCCc2cc(Cl)c(O)cc21,CHEMBL574111,5.92
+CCCCC1c2cc(O)c(Cl)cc2CCN1C,CHEMBL574112,5.94
+CCCCC1NCCc2cc(O)c(Cl)cc21,CHEMBL574296,5.49
+COc1cc2c(cc1Cl)CCNC2c1ccccc1,CHEMBL574340,5.22
+COc1cc2c(cc1Cl)CCN(C)C2c1ccccc1,CHEMBL574557,6.09
+COc1cc2c(cc1Cl)CCNC2Cc1ccccc1,CHEMBL572720,5.63
+COc1cc2c(cc1Cl)CCN(C)C2Cc1ccccc1,CHEMBL573412,5.78
+Oc1cc2c(cc1Cl)CCNC2Cc1ccccc1,CHEMBL574695,6.49
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2[nH]1,CHEMBL566533,5.97
+CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2[nH]1,CHEMBL583422,5.0
+N#C/N=C(\NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL1086958,5.79
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.64
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927090,7.28
+N#C/N=C(\NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1,CHEMBL1927094,6.42
+CN(C)CCc1cc2c(c3c1ccc1ccccc13)OCO2,CHEMBL492418,5.29
+CN(C)CCc1cc(O)c(O)c2c1ccc1ccccc12,CHEMBL2414992,5.16
+COc1cc(CCN(C)C)c2ccc3ccccc3c2c1OC,CHEMBL1186488,5.53
+CN1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3,CHEMBL36654,6.455
+CN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1-3,CHEMBL2414991,6.4
+COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2,CHEMBL2414990,6.215
+Oc1cccc2c1CN1CCc3cc4c(cc3C1C2)OCO4,CHEMBL2425378,6.465
+Oc1ccc2c(c1)CC1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2425377,4.485
+Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,CHEMBL2425376,5.44
+Oc1ccc2c(c1)CC1c3cc(O)c(O)cc3CCN1C2,CHEMBL2425375,5.555
+COc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,CHEMBL2425374,5.425
+COc1ccc2c(c1)CC1c3cc(OC)c(OC)cc3CCN1C2,CHEMBL2425373,5.375
+COc1ccc2c(c1)CC1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2425372,5.695
+COc1ccc2c(c1)CC1c3cc(O)c(O)cc3CCN1C2,CHEMBL2425371,5.99
+COc1ccc2c(c1)CC1c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3CCN1C2,CHEMBL2425370,4.39
+Oc1ccc2c(c1)CC1c3cc(O)c(Cl)cc3CCN1C2,CHEMBL2425369,6.97
+COc1ccc2c(c1)CC1c3cc(OC)c(Cl)cc3CCN1C2,CHEMBL2425368,5.75
+O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3764420,6.35
+O=C(NCCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccncc1,CHEMBL3764390,6.9
+O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3763331,10.01
diff --git a/chembl_200/CHEMBL267.csv b/chembl_200/CHEMBL267.csv
new file mode 100644
index 0000000000000000000000000000000000000000..91541943077ffd2b78d426afddd55ca32b8f5cab
--- /dev/null
+++ b/chembl_200/CHEMBL267.csv
@@ -0,0 +1,469 @@
+Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NCC2CCCO2)n1,CHEMBL432189,8.49
+Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1,CHEMBL312933,7.89
+Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1,CHEMBL67237,6.48
+CNc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1,CHEMBL90002,7.77
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,7.4
+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,6.3
+BrC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1,CHEMBL382153,5.49
+BrC(Cn1ncc2c(N3CCCCC3)ncnc21)c1ccccc1,CHEMBL203922,5.8
+BrC(Cn1ncc2c(N3CCCC3)ncnc21)c1ccccc1,CHEMBL382012,5.01
+CCOCCNc1ncnc2c1cnn2CC(Br)c1ccccc1,CHEMBL380532,5.685
+CCCCNc1ncnc2c1cnn2CC(Br)c1ccccc1,CHEMBL204343,5.52
+CC(C)Nc1ncnc2c1cnn2CC(Br)c1ccccc1,CHEMBL406504,5.525
+CCCNc1ncnc2c1cnn2CC(Br)c1ccccc1,CHEMBL382586,6.075
+OC(Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1,CHEMBL378603,5.613
+OC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1,CHEMBL204379,5.61
+C(=C\n1ncc2c(NCc3ccccc3)ncnc21)\c1ccccc1,CHEMBL203492,5.62
+C(=C\n1ncc2c(NC3CCCCC3)ncnc21)\c1ccccc1,CHEMBL425046,4.92
+C(=C\n1ncc2c(NC3CC3)ncnc21)\c1ccccc1,CHEMBL381279,5.04
+CCSc1nc(N2CC(C)OC(C)C2)c2cnn(/C=C\c3ccccc3)c2n1,CHEMBL203866,4.64
+CCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL85452,5.095
+CCSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL416439,5.42
+CCSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL40913,5.085
+CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL41910,6.212999999999999
+CCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL84020,6.175
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL289125,6.15
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL288280,5.426
+CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL38492,5.193
+CSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL289298,5.613
+CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL83847,6.3
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL40798,5.747000000000001
+Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,CHEMBL207471,6.3
+Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C,CHEMBL206575,6.0
+O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1,CHEMBL207360,5.27
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2,CHEMBL379308,6.3
+CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)c(O)c1,CHEMBL208828,6.0
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(I)cc1,CHEMBL210766,6.3
+O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1,CHEMBL209617,5.37
+O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1,CHEMBL380706,6.05
+COc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1,CHEMBL207672,5.72
+COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1,CHEMBL376993,5.39
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1Cl,CHEMBL210036,5.89
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1I,CHEMBL207986,5.7
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1,CHEMBL378903,5.54
+CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL1791358,6.68
+Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,CHEMBL379218,4.89
+N[C@@H](Cc1ccc(O)cc1)C(=O)NO,CHEMBL217863,4.74
+Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1,CHEMBL436137,8.15
+O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,CHEMBL387385,5.96
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.3
+Cc1cc(-c2ccccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL268825,7.46
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL230686,7.687
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL400211,6.172000000000001
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL399627,5.39
+Clc1cccc(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL238774,5.595
+CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL401447,5.92
+CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL428029,6.3
+CSc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL401238,5.89
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL238561,5.74
+CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL238559,5.85
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL241750,4.46
+CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL241749,5.52
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL241540,5.34
+CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL241539,5.28
+CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL391724,4.677
+CSc1nc(NCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL239192,4.62
+CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL236375,5.51
+CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL392301,5.12
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL238304,5.55
+COc1ccc(CCNc2nc(SC)nc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL399813,5.4
+CSc1nc(NCCc2ccc(C)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL415264,4.82
+CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(CC(Cl)c3ccccc3)c2n1,CHEMBL401038,4.6
+CSc1nc(NCCc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235758,5.22
+CSc1nc(NCCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235757,5.4
+CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL235756,4.89
+N#Cc1cnc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL399438,6.85
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL248044,6.82
+N#Cc1cnc2ccc(-c3ccc(CN4CCOCC4)cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL247024,6.24
+N#Cc1cnc2ccc(-c3ccc(CN)cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL245800,7.07
+N#Cc1cnc2ccc(-c3cccc(CN4CCOCC4)c3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL245799,6.55
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1,CHEMBL248393,7.57
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCOCC1,CHEMBL248392,7.35
+COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL401251,6.96
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCc1cccnc1,CHEMBL248391,7.31
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1,CHEMBL248220,6.48
+COc1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1,CHEMBL401644,6.68
+COc1ccc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2c1,CHEMBL248045,6.77
+Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL400402,8.89
+COc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1,CHEMBL270452,6.57
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1Cl,CHEMBL270454,5.94
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccccc1Cl,CHEMBL408291,6.77
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1Cl,CHEMBL271010,6.05
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1,CHEMBL271009,6.48
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc(F)cc1,CHEMBL271008,6.61
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1Cl,CHEMBL402288,6.14
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1Cl,CHEMBL255164,6.28
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1,CHEMBL255368,7.19
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1,CHEMBL255165,6.77
+COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1,CHEMBL402891,6.58
+COc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1,CHEMBL272947,6.7
+O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(F)cc1,CHEMBL272288,6.24
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(Cl)cc1,CHEMBL255225,6.7
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1,CHEMBL402568,6.78
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(F)cc1,CHEMBL255324,6.66
+O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl,CHEMBL255522,6.66
+O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc(Cl)cc1,CHEMBL272999,6.71
+O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1,CHEMBL409082,6.33
+O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(Cl)cc1,CHEMBL403731,6.66
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1,CHEMBL255738,6.323
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,6.0
+CC(C)(C)N1CN(c2ccc(Cl)cc2)C(=N)C2C=NN=C21,CHEMBL404666,6.3
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,5.8
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12,CHEMBL256101,8.14
+OCCCOc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1,CHEMBL475254,6.37
+Oc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1,CHEMBL470175,6.0
+Cc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1,CHEMBL485731,5.74
+COc1cc(Nc2nccc(-c3ncc(C)s3)n2)cc(C(F)(F)F)c1,CHEMBL451450,5.43
+OCc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1,CHEMBL485730,5.4
+COc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1,CHEMBL486751,5.46
+Cc1cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)cc(C(F)(F)F)c1,CHEMBL475249,5.46
+Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)c1,CHEMBL471727,5.46
+Cc1cc(C)cc(Nc2nccc(-c3nc(CO)cs3)n2)c1,CHEMBL511811,5.65
+Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1,CHEMBL511670,5.7
+Cc1cc(C)cc(Nc2nccc(-c3nc(C)cs3)n2)c1,CHEMBL453217,5.69
+Cc1cc(C)cc(Nc2nccc(-c3ncc(C)s3)n2)c1,CHEMBL470780,6.46
+Cc1ccc(C)c(Nc2nccc(-c3nccs3)n2)c1,CHEMBL475570,6.82
+Cc1cccc(Nc2nccc(-c3nccs3)n2)c1,CHEMBL471819,5.53
+COc1cc(Nc2nccc(-c3nccs3)n2)cc(OC)c1,CHEMBL472478,6.06
+Cc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1,CHEMBL471776,5.87
+COc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1,CHEMBL512319,5.74
+Cc1cc(C)cc(Nc2nccc(-c3nccs3)n2)c1,CHEMBL509161,5.97
+ClC(Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1,CHEMBL475190,5.0
+ClC(Cn1ncc2c(NCCc3ccccc3)ncnc21)c1ccccc1,CHEMBL515760,5.7
+CCCNc1ncnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL475366,5.5
+CCN(CC)c1ncnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL475367,5.3
+CCCCNc1ncnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL472822,5.7
+ClC(Cn1ncc2c(NC3CCCCC3)ncnc21)c1ccccc1,CHEMBL514928,5.6
+ClC(Cn1ncc2c(N3CCCCC3)ncnc21)c1ccccc1,CHEMBL472959,5.2
+ClC(Cn1ncc2c(N3CCCCCC3)ncnc21)c1ccccc1,CHEMBL473154,5.0
+ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1,CHEMBL411043,5.513
+CCCNc1ncnc2c1cnn2CC(O)c1ccccc1,CHEMBL84945,5.0
+OC(Cn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1ccccc1,CHEMBL203650,5.0
+CSc1nc(NC2CC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL515714,5.6
+O=C(O)c1cnc2c(cnn2/C=C/c2ccccc2)c1NCc1ccccc1,CHEMBL471913,5.4
+Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL359482,7.09
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL484950,5.9
+CSc1nc(NCCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL453358,4.99
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,CHEMBL443929,5.58
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,CHEMBL454119,5.3
+CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL475739,5.48
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL475740,6.51
+CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL514140,6.52
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL473102,5.49
+CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1,CHEMBL516070,6.68
+CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL475336,5.88
+CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL475337,5.82
+CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,CHEMBL515135,5.79
+CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1,CHEMBL515885,5.49
+CCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL454120,5.28
+CCCNc1nc(SCCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL510861,5.44
+CCCCNc1nc(SCCC)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL454922,5.59
+CCCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL508986,5.27
+CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL454923,6.29
+CCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL454144,5.59
+CCCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL508027,6.09
+CCOCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,CHEMBL455163,5.25
+CSc1nc(N2CCCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL507594,5.79
+CSc1nc(N2CCCCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL455164,6.49
+CSc1nc(N2CCOCC2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473103,5.59
+CSc1nc(NCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473516,6.66
+CSc1nc(NCCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1,CHEMBL473517,5.55
+CCCNc1nc(N(C)C)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL473727,5.39
+CN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL473923,5.44
+CN(C)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL473726,5.37
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.3
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.8
+Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)[nH]n1,CHEMBL549536,6.74
+Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL552038,6.41
+Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL550825,5.98
+Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL565205,5.89
+Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL549322,6.1
+Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1,CHEMBL562157,6.7
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC,CHEMBL564290,5.66
+Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1,CHEMBL552033,6.17
+CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL549668,6.1
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL564941,6.14
+Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1,CHEMBL564449,6.34
+CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1,CHEMBL560158,6.56
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1,CHEMBL561421,5.76
+COc1ccc(CNc2nc(SC)nc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL551542,5.4
+CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL564746,4.6
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.295
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.2
+Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1,CHEMBL1165511,6.933
+CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21,CHEMBL1242754,6.7
+CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1,CHEMBL1765770,5.88
+CN(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1,CHEMBL1765772,5.55
+O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1,CHEMBL1765097,5.74
+CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ccn1,CHEMBL1765774,6.85
+CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1738829,7.4
+CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1,CHEMBL1765775,5.92
+CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1,CHEMBL1765776,6.66
+CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1765777,6.32
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1,CHEMBL1765779,6.23
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1,CHEMBL1765780,6.23
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1,CHEMBL1765781,6.92
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765782,6.55
+CNc1cc(F)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765783,6.52
+CNc1cc(C#N)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1,CHEMBL1765784,6.32
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Cl)cc2)cc1,CHEMBL406658,6.1
+Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL1775041,5.12
+CCCNc1nc(SCCN2CCOCC2)nc2c1cnn2CC(Cl)c1ccccc1,CHEMBL1775040,5.42
+ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL1775039,5.54
+Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL1775038,5.92
+Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL1775036,6.66
+ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL1775035,6.665
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1,CHEMBL1775047,5.52
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1,CHEMBL1773092,5.08
+Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1,CHEMBL1775046,5.41
+Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1,CHEMBL1775045,5.32
+CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL1775043,6.13
+CCCNc1nc(S(C)(=O)=O)nc2c1cnn2/C=C\c1ccccc1,CHEMBL1775044,5.52
+OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C\c3ccccc3)c2n1,CHEMBL1775042,5.62
+Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)[nH]n1,CHEMBL1778662,7.59
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1,CHEMBL1836673,7.05
+CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836675,5.67
+CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836676,5.55
+CSc1nc(NCc2ccccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836677,5.7
+CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836678,7.6
+CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836679,7.6
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL1836680,7.72
+Fc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1,CHEMBL1836681,6.29
+Clc1cccc(Nc2ncnc3c2cnn3CCc2ccccc2)c1,CHEMBL1836682,6.32
+CC(Cn1ncc2c(Nc3cccc(Cl)c3)ncnc21)c1ccccc1,CHEMBL1775034,5.15
+CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL1629808,5.75
+Fc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL412298,7.095
+Fc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL270958,6.82
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL272169,6.3
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,7.3
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.6
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,8.2
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,6.11
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.3
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,7.7
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,7.5
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.4
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.8
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.0
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,7.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.5
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.5
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.3
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,7.6
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.8
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,6.8
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+Cc1ccc(F)c(-c2ccc3nnc(N)n3c2)c1,CHEMBL2002323,7.8
+CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1,CHEMBL1978448,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL271441,6.4
+Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL273187,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.5
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)ccc1F,CHEMBL1986979,6.0
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.6
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.8
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.9
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,6.4
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.6
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.4
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,7.9
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,8.5
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.8
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.7
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,5.4
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,6.6
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.0
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,7.3
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,7.2
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.7
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,6.5
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.2
+COc1cc(Nc2ncnc3ccc(-c4ccc(CN5CC6C(CO)C6C5)cc4)cc23)ccc1Oc1ccccc1,CHEMBL1999749,6.4
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.1
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.8
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.7
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,6.4
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.5
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.8
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1994638,6.0
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,8.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.7
+Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1381197,6.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.2
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.6
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,9.1
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.8
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.8
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.1
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.7
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,7.0
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,7.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,6.3
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL374044,6.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.5
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.8
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,7.5
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,8.1
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,6.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1988778,6.3
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.8
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.4
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,8.1
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.0
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,7.3
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.7
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.2
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.1
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,5.7
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.6
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.0
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.2
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,7.8
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,7.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.7
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.6
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,6.8
+Cc1cc(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1993996,6.1
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.6
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.7
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.7
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,8.1
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,7.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.4
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,6.3
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.2
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,5.7
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.2
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.5
+CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21,CHEMBL1241489,7.19
+COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1,CHEMBL1785020,6.11
+CCOc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1,CHEMBL1785021,6.7
+CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc21,CHEMBL2030556,5.91
+COc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1C,CHEMBL1785018,6.19
+FC(F)(F)c1cc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc(C(F)(F)F)c1,CHEMBL2397816,6.2
+COc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397815,6.82
+ClC(Cn1ncc2c(NCc3cccc(Br)c3)ncnc21)c1ccc(Br)cc1,CHEMBL2397814,6.11
+ClC(Cn1ncc2c(NCc3ccccc3Br)ncnc21)c1ccc(Br)cc1,CHEMBL2397813,6.14
+ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397812,5.96
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1F,CHEMBL2397811,5.77
+Fc1ccc(F)c(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397810,6.78
+Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1,CHEMBL2397809,5.97
+Clc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1Cl,CHEMBL2397808,6.3
+Clc1ccc(Cl)c(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397807,6.21
+Clc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1,CHEMBL2397806,8.22
+Clc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccc(Br)cc1,CHEMBL2397805,6.21
+Clc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397804,7.15
+ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397803,6.21
+ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(Br)cc1,CHEMBL2397802,7.19
+ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccccc1,CHEMBL2397801,6.96
+Fc1cccc(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL2397800,5.63
+ClC(Cn1ncc2c(Nc3cccc(Br)c3)ncnc21)c1ccccc1,CHEMBL2397799,6.4
+Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(Br)c4)ncnc32)cc1,CHEMBL2397798,6.47
+Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1,CHEMBL2397797,5.85
+Fc1ccc(C(Cl)Cn2ncc3c(NCc4cccc(F)c4)ncnc32)cc1,CHEMBL261827,5.82
+Fc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1,CHEMBL2397796,7.35
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCC(=O)NO)c1,CHEMBL2408778,6.86
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCCC(=O)NO)c1,CHEMBL2408779,6.72
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCCCC(=O)NO)c1,CHEMBL2408780,6.39
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2ccc(/C=C/C(=O)NO)cc2)c1,CHEMBL2408781,5.37
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(/C=C/C(=O)NO)c2)c1,CHEMBL2408782,5.67
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1,CHEMBL2408783,6.22
+Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1,CHEMBL2408777,6.43
+Cc1ccc(-c2csc(=N)n2CC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL2437291,4.87
+N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCN(c2ccccc2)CC1,CHEMBL2437292,5.72
+N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1,CHEMBL2437293,4.85
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(C)cc3)csc2=N)CC1,CHEMBL2437294,4.82
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1,CHEMBL2437295,4.83
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccccc3)csc2=N)CC1,CHEMBL2437297,4.46
+Cc1ccc(-c2csc(=N)n2CC(=O)N2CCN(C)CC2)cc1,CHEMBL2437296,5.33
+CN1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1,CHEMBL2437298,5.49
+CN1CCN(C(=O)Cn2c(-c3ccccc3)csc2=N)CC1,CHEMBL2437300,5.1
+Cc1ccc(-c2csc(=N)n2CC(=O)N2CCOCC2)cc1,CHEMBL2437299,4.88
+N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1,CHEMBL2437302,4.78
+N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1,CHEMBL2437301,4.7
+ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394092,6.89
+Oc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL3394091,8.15
+Fc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,CHEMBL3394089,6.96
+ClC(Cn1ncc2c(Nc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1,CHEMBL3394088,6.92
+CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3393071,8.0
+CC(C)Sc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394087,6.21
+CC(C)Sc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394086,6.59
+CC(C)Sc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394085,6.52
+CCCCSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394084,6.89
+CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1,CHEMBL3394083,7.52
+CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394082,7.15
+CC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394081,6.01
+CC(Cn1ncc2c(Nc3cccc(F)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394080,5.63
+CC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3394079,5.84
+CCSc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL3394078,6.96
+CCSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL3394077,7.0
+CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL3394076,6.26
+CCSc1nc(Nc2cccc(F)c2)c2cnn(CC(C)c3ccccc3)c2n1,CHEMBL3394075,6.1
+Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CCc2ccccc2)c1,CHEMBL3393986,7.4
+Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CCc2ccccc2)c1,CHEMBL3393985,5.92
+CSc1nc(Nc2cccc(O)c2)c2cnn(CCc3ccccc3)c2n1,CHEMBL3393984,6.21
+CSc1nc(Nc2cccc(Br)c2)c2cnn(CCc3ccccc3)c2n1,CHEMBL3393983,6.7
+CSc1nc(Nc2cccc(F)c2)c2cnn(CCc3ccccc3)c2n1,CHEMBL3393982,5.97
+CSc1nc(Nc2ccccc2)c2cnn(CCc3ccccc3)c2n1,CHEMBL3393981,5.84
+Cl[C@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3393980,6.64
+Cl[C@@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,CHEMBL3393979,6.7
+NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401983,5.51
+OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401984,5.46
+CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401986,5.6
+CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401987,6.01
+Cc1noc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)n1,CHEMBL3401988,5.62
+CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401990,5.51
+C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1)c1ccco1,CHEMBL3617740,6.89
+C[C@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1)c1ccco1,CHEMBL3617739,6.43
+O=C(CCCCCC(=O)N1CCC[C@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617737,6.48
+CC(NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1)c1ccco1,CHEMBL3617736,6.64
+O=C(CCCCCC(=O)N1CCCC1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617735,6.32
+CN1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)n[nH]4)n3)c2)C(c2ccccc2)C1,CHEMBL3617734,6.85
+CN1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)n[nH]4)n3)c2)C(c2ccccc2)C1,CHEMBL3617733,6.985
+CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617732,6.4
+CC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617730,6.44
+O=C(CCS)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)c1,CHEMBL3617731,6.7
+C=CC(=O)N1CCCC1c1ccco1,CHEMBL3617729,3.8
+COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C,CHEMBL3824089,9.1
diff --git a/chembl_200/CHEMBL268.csv b/chembl_200/CHEMBL268.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6a68340266e9901d772bc618cb3c8f14e32635ee
--- /dev/null
+++ b/chembl_200/CHEMBL268.csv
@@ -0,0 +1,498 @@
+N#CN1CCCC1,CHEMBL262697,5.68
+N#CN1Cc2cc3ccccc3nc2C1,CHEMBL8517,6.42
+N#CN1CCC(NC(=O)OCc2ccccc2)C1,CHEMBL273229,6.85
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1,CHEMBL184514,8.1
+CC(C)CC(C(=O)NC1(C#N)CC1)c1cccc(-c2ccc(N3CCNCC3)cc2)c1,CHEMBL331506,8.0
+COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL77665,7.82
+COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(-c3cccc(Cl)c3Cl)n2)cc1,CHEMBL80508,7.96
+COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1,CHEMBL64765,7.26
+N#CN1CCC(NS(=O)(=O)c2ccccc2)C1,CHEMBL275080,7.05
+N#CN1CC(CNS(=O)(=O)c2ccccc2)C1,CHEMBL276169,7.7
+CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL98540,8.4
+CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL99561,7.17
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1,CHEMBL100428,6.0
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+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL64098,8.06
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+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1CCCCN1C(=O)OCc1ccccc1,CHEMBL62923,6.7
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+COCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL159850,7.1
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+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL3143399,5.54
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+CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL382286,7.92
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1,CHEMBL407633,7.98
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+CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N,CHEMBL200569,5.3
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+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N,CHEMBL383816,5.96
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+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N,CHEMBL200374,5.39
+N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL344174,6.59
+CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N,CHEMBL424669,5.39
+CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N,CHEMBL200577,5.92
+CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)NCC#N,CHEMBL200057,5.68
+CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N,CHEMBL198570,5.07
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N,CHEMBL371893,4.52
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N,CHEMBL200836,4.89
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCC#N,CHEMBL372154,5.2
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N,CHEMBL200549,5.48
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N,CHEMBL200724,4.55
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N,CHEMBL371499,5.19
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N,CHEMBL200427,5.38
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N,CHEMBL381191,4.54
+CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N,CHEMBL383781,4.47
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N,CHEMBL200285,4.18
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N,CHEMBL200557,4.08
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCC#N,CHEMBL200558,4.8
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)NCC#N,CHEMBL380560,4.59
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N,CHEMBL197181,5.12
+N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1,CHEMBL371466,5.82
+N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL200235,6.52
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O,CHEMBL200521,7.13
+CC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL200181,5.68
+CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL371064,8.85
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL202991,8.4
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL203224,8.85
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL377713,8.6
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL203665,10.39
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL440574,8.35
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL205068,7.52
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL205172,9.85
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL438435,7.54
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C,CHEMBL203556,7.38
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C,CHEMBL204169,7.72
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C,CHEMBL203845,8.82
+CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1cccc(OC)c1,CHEMBL383469,6.74
+COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)O)CN2CCc3cc(F)ccc32)c1,CHEMBL1162922,6.34
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CCN2CCOCC2)CN2CCc3cc(F)ccc32)c1,CHEMBL203052,5.67
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CCCN)CN2CCc3cc(F)ccc32)c1,CHEMBL383549,4.97
+COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN2CCc3cc(F)ccc32)c1,CHEMBL202747,7.33
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@H](CN2CCc3cc(F)ccc32)[C@@H](C)O)c1,CHEMBL205566,5.56
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@H](CN2CCc3cc(F)ccc32)[C@@H](C)OCc2ccccc2)c1,CHEMBL206057,5.36
+COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1,CHEMBL203325,6.47
+COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1,CHEMBL203328,7.26
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1,CHEMBL203480,7.1
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(Cl)ccc32)c1,CHEMBL379230,6.86
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1,CHEMBL205835,6.51
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(F)cc2)c1,CHEMBL205196,6.32
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(Cl)cc2)c1,CHEMBL379901,6.39
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(OC(F)(F)F)cc2)c1,CHEMBL206050,6.9
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+COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C,CHEMBL379253,6.9
+CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1,CHEMBL205240,5.31
+O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1,CHEMBL380756,4.78
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL381186,5.43
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL206749,4.83
+C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL380832,5.67
+C[C@@H](CNc1ccc(S(C)(=O)=O)cc1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL205709,5.98
+COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1,CHEMBL381355,6.54
+O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL204791,5.34
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2ccc(N(C)C)cc2)o1,CHEMBL210523,4.48
+CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210625,6.92
+CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210702,6.3
+CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210759,5.52
+CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210712,5.02
+CCC[C@H](NC(=O)Cc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209294,4.28
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209293,9.02
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL379157,7.72
+CCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209216,7.37
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209215,8.77
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccs2)o1,CHEMBL209114,8.28
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(OC)o1,CHEMBL379622,8.48
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(CC)o1,CHEMBL405602,8.1
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)C)o1,CHEMBL210535,7.46
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1,CHEMBL209181,5.89
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL208566,7.27
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1,CHEMBL208577,6.26
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(OC)cc2)o1,CHEMBL210198,7.66
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(OC)c2)o1,CHEMBL376994,7.43
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccccc2)o1,CHEMBL211050,7.54
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2cccs2)o1,CHEMBL210315,6.09
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(C(C)C)o1,CHEMBL209766,5.25
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2ccccc2OC)o1,CHEMBL378780,4.77
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C)CC4)n3)c2)c1,CHEMBL213930,8.89
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)c1,CHEMBL212907,9.1
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)c1,CHEMBL211737,8.46
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C(C)(C)C)CC4)n3)c2)c1,CHEMBL212879,8.89
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(CN4CCNCC4)n3)c2)c1,CHEMBL213194,8.32
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCC(N(C)C)C4)n3)c2)c1,CHEMBL213244,8.52
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1,CHEMBL217136,6.45
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214982,5.93
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL386351,5.86
+O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214591,5.06
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL383968,5.4
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL385912,5.07
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL384856,4.77
+C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL386664,4.88
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL213610,5.29
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1,CHEMBL215218,5.61
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1,CHEMBL385534,5.81
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1,CHEMBL215599,6.34
+CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1,CHEMBL214598,5.88
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215378,4.73
+CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL379079,6.86
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL212703,6.89
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1,CHEMBL212176,4.88
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1,CHEMBL212892,4.84
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1,CHEMBL214654,5.34
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccoc1,CHEMBL215402,5.03
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccco1,CHEMBL217496,5.06
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1,CHEMBL386383,6.82
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(F)c2)o1,CHEMBL214905,4.93
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215869,5.78
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1,CHEMBL386912,6.06
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1,CHEMBL387191,5.77
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C(C)C)nn1,CHEMBL385571,6.37
+O=CCOc1ccccc1-c1ccc(F)c(F)c1F,CHEMBL387619,5.82
+CC(C)Cc1ccc(-c2ccccc2OCC=O)c(F)c1F,CHEMBL390945,5.91
+CCCc1ccc(-c2ccccc2OCC=O)c(F)c1F,CHEMBL390726,5.89
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1,CHEMBL391094,4.94
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL240831,4.94
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241491,4.98
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241489,6.15
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241311,5.67
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241309,6.74
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL240235,6.54
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C,CHEMBL238962,5.63
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1,CHEMBL391468,5.43
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL392302,6.66
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL241096,5.94
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL241095,5.43
+CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240017,5.27
+CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL241467,6.59
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239580,5.83
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL428390,6.0
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240443,6.25
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239786,6.04
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239784,4.61
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(C(C)(C)C)ccc2o1,CHEMBL257692,8.07
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1,CHEMBL446718,7.4
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1,CHEMBL270792,8.02
+CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272374,6.3
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL411498,5.52
+CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272375,5.02
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ncc(C)s2)cc1,CHEMBL481986,5.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1,CHEMBL474458,5.74
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C(C)C)cs2)cc1,CHEMBL474257,5.77
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C)cs2)cc1,CHEMBL481433,5.52
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nccn2C)cc1,CHEMBL519136,6.19
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CHEMBL482218,6.0
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1,CHEMBL515251,6.1
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1,CHEMBL473448,6.59
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccn2)cc1,CHEMBL480836,6.35
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1,CHEMBL480638,6.24
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccncc2)cc1,CHEMBL481424,5.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1,CHEMBL514299,6.09
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1,CHEMBL515769,6.14
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL514195,6.02
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1,CHEMBL475669,6.57
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL475269,6.3
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL475268,6.02
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1,CHEMBL475063,6.26
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,CHEMBL515588,6.01
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1,CHEMBL474865,6.28
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL474664,6.43
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)nc1,CHEMBL519763,5.92
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1,CHEMBL517082,5.66
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1,CHEMBL474059,5.8
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1,CHEMBL473654,6.14
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C(C)=O)c1,CHEMBL481227,6.12
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL481034,6.15
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1,CHEMBL519135,6.08
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1C,CHEMBL516749,5.72
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1,CHEMBL479461,6.62
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1OC,CHEMBL479460,5.3
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(OC)c1,CHEMBL480634,6.25
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL475062,5.77
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL482388,6.37
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1,CHEMBL521115,6.52
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CCCCC2)cc1,CHEMBL482191,6.02
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1,CHEMBL479831,6.36
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1,CHEMBL482348,6.3
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL519633,5.92
+CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CC2(C)CCCC2)C(=O)N[C@@H]2C(=O)CO[C@H]2CC)cc1,CHEMBL519115,5.82
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1,CHEMBL480381,6.33
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(S(=O)(=O)NC)c1,CHEMBL482168,4.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(S(=O)(=O)NC)cc1,CHEMBL482167,6.38
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CHEMBL482166,7.01
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(NS(C)(=O)=O)c1,CHEMBL481503,5.82
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1,CHEMBL471972,6.54
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1,CHEMBL512367,6.5
+CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL514348,6.92
+CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL486232,8.92
+CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1,CHEMBL212521,4.74
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)CCCCC1,CHEMBL1086008,8.6
+CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)N[C@@H]5C(=O)N[C@@H]5Oc5ccccc5)CCCCC4)cc3)cs2)CC1,CHEMBL367800,8.32
+CN(C#N)N(C)C(=O)CNC(=O)OCc1ccccc1,CHEMBL1651240,6.59
+C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651241,7.48
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651242,9.06
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL608115,10.19
+CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL604281,9.85
+CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651351,9.34
+CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1,CHEMBL1651352,10.15
+CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1,CHEMBL1651353,9.8
+CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651354,10.96
+CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651355,10.77
+Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651356,9.96
+CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651357,10.14
+Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651349,10.35
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651350,10.66
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651358,7.47
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651359,8.54
+CC(C)C[C@@H](C(=O)NCC#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1,CHEMBL1651360,6.57
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651361,10.49
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1,CHEMBL1651362,9.2
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2cccs2)s1)C(=O)NCC#N,CHEMBL2153169,5.96
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL2153161,9.18
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N(C)N(C)C#N)CCCCC3)c(=O)oc2c1,CHEMBL2203962,7.72
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)NCC#N)CCCCC3)c(=O)oc2c1,CHEMBL2203961,6.64
+CN(C)c1cccc2c(S(=O)(=O)NC3(C(=O)NCC#N)CCCCC3)cccc12,CHEMBL2203960,6.06
+CC(C)CC(NC(=O)N1CCNCC1)C(=O)NC(/C=C\S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL2316590,7.94
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+CC(C)C[C@H](NC(=O)C1OC1C(=O)O)C(=O)NCCCCNC(=N)N,CHEMBL189382,8.85
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+CC(C)CC(CN1CC(=O)C(NC(=O)C(CC(C)C)NC(=O)OCc2ccncc2)C1)NC(=O)OCc1ccccc1,CHEMBL2316587,8.46
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+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccs2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382005,4.62
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+N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCN(c2ccccc2)CC1,CHEMBL2437292,4.95
+N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1,CHEMBL2437293,4.94
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(C)cc3)csc2=N)CC1,CHEMBL2437294,4.62
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1,CHEMBL2437295,4.62
+CC(=O)N1CCN(C(=O)Cn2c(-c3ccccc3)csc2=N)CC1,CHEMBL2437297,4.66
+Cc1ccc(-c2csc(=N)n2CC(=O)N2CCN(C)CC2)cc1,CHEMBL2437296,5.06
+CN1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1,CHEMBL2437298,5.34
+CN1CCN(C(=O)Cn2c(-c3ccccc3)csc2=N)CC1,CHEMBL2437300,5.21
+Cc1ccc(-c2csc(=N)n2CC(=O)N2CCOCC2)cc1,CHEMBL2437299,4.29
+N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1,CHEMBL2437302,4.35
+N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1,CHEMBL2437301,4.3
+CCC(CC)C(=O)Nc1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1F,CHEMBL3605408,7.15
+N#CCNC(=O)C1(NC(=O)c2ccc(Cl)cc2N)CCCCC1,CHEMBL3605409,7.8
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)cc2N)CCCCC1,CHEMBL3605410,8.0
+N#CCNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCCCC1,CHEMBL3605412,6.94
+N#CCNC(=O)C1(NC(=O)c2ccc(N)c(F)c2)CCCCC1,CHEMBL3605413,7.66
+N#CCNC(=O)C1(NC(=O)c2ccc(NC(=O)N3CCCCC3)c(F)c2)CCCCC1,CHEMBL3605414,7.26
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661024,8.8
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661025,8.96
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)c(F)c2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661026,8.4
+CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661027,8.57
+C#C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661028,9.22
+CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21,CHEMBL3640070,7.06
+CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21,CHEMBL3640071,8.06
+CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@H]21,CHEMBL3640072,8.6
+CC[C@H](C)[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@H]21,CHEMBL3640073,8.82
+C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3640074,9.0
+CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@H]21,CHEMBL3640075,9.12
+C[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C(C)(C)C)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640076,8.96
+C[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640077,9.46
+CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@H]21,CHEMBL3640078,8.77
+CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1C[C@H](C(F)F)[C@H]2OCC(=O)[C@H]21,CHEMBL3640079,9.1
+CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@H]21,CHEMBL3640080,9.15
+CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@H]21,CHEMBL3640081,9.22
+CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@H]21,CHEMBL3640082,9.35
+CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@H](C(F)F)[C@H]2OCC(=O)[C@H]21,CHEMBL3640083,9.15
+CC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C(C)(C)C)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3640084,8.36
+CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C(C)(C)C)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3640085,8.49
+CC[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C(C)(C)C)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640086,9.1
+CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C(C)(C)C)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640087,9.1
+CC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3640088,8.92
+CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3640089,8.82
+CC[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640090,9.4
+CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12,CHEMBL3640091,9.35
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640731,8.74
+CC(C)C[C@H](NC(=O)C1CCC2(CC1)OCCO2)C(=O)NC1(C#N)CC1,CHEMBL3640730,7.51
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640708,8.52
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCO2)C(=O)NC1(C#N)CC1,CHEMBL3640709,7.68
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)NC1(C#N)CC1,CHEMBL3640710,7.49
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(C#N)CC1,CHEMBL3640711,7.68
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(C#N)CC1,CHEMBL3640712,7.28
+N#CC1(NC(=O)C2(NC(=O)N3CCC4(CCCC4)CC3)CCCCC2)CC1,CHEMBL3640713,8.35
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640714,8.12
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640715,7.66
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CC3)CC1,CHEMBL3640716,6.04
+CC(F)(F)C[C@H](NS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640717,6.82
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCC(C)(C)O2)C(=O)NC1(C#N)CC1,CHEMBL3640718,7.33
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)C(=O)NC1(C#N)CC1,CHEMBL3640720,7.42
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCc3ccccc32)C1)C(=O)NC1(C#N)CC1,CHEMBL3640721,7.8
+CC(F)(F)C[C@H](NC(=O)N1CCOC12CCCCC2)C(=O)NC1(C#N)CC1,CHEMBL3640722,7.44
+CC(F)(F)C[C@H](NC(=O)N1CC2(CCN(C3CC3)CC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640723,7.55
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640724,7.82
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(c1ccc(OC)cc1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640725,7.37
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640726,7.62
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CCN(C2CC2)CC3)CC1,CHEMBL3640727,6.4
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640728,7.48
+CN1CCC(C#N)(NC(=O)[C@H](CC(C)(F)F)NC(=O)N2CCC3(CC2)CC3)CC1,CHEMBL3640729,7.08
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640719,7.7
+O=C(N[C@H](C(=O)N1CC[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648403,6.25
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648404,6.47
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648398,7.46
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648397,7.02
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648411,7.64
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648405,7.57
+O=C(N[C@H](C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648412,6.64
+O=C(N[C@H](C(=O)N1CC[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648396,6.52
+COC(=O)Cn1cc(COC[C@@H](C#N)NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(-c3ccccc3)cc2)nn1,CHEMBL3805885,7.17
+N#C[C@H](CCOCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805060,6.43
+N#C[C@H](CCOCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805078,6.24
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3804928,6.43
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3806231,6.51
+N#CCNC(=O)[C@H](Cc1cccc(-c2ccccc2)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3804975,7.61
+N#CCNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805662,6.03
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805807,5.35
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805093,6.47
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805261,6.65
+N#C[C@H](Cc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805560,6.27
diff --git a/chembl_200/CHEMBL269.csv b/chembl_200/CHEMBL269.csv
new file mode 100644
index 0000000000000000000000000000000000000000..ebed328008bf5a3fa1b406e6bbe16d35bf0a050c
--- /dev/null
+++ b/chembl_200/CHEMBL269.csv
@@ -0,0 +1,1442 @@
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+O[C@@]12Cc3c([nH]c4ccccc34)C3Oc4c(OCCc5ccccc5)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL1202098,5.98
+O[C@@]12Cc3c([nH]c4ccccc34)C3Oc4c(OCc5ccccc5)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610285,6.99
+O=C1/C(=C\c2c3ccccc3cc3ccccc23)C[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,CHEMBL612090,8.62
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+CC1CN(CCc2ccccc2)C2C[C@H](NC(=O)CCCNC(=N)N)CC1(c1cccc(O)c1)C2,CHEMBL118282,5.76
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+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(I)c3)C1C2,CHEMBL356639,6.85
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(I)cc3)C1C2,CHEMBL145422,6.49
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc4ccccc4c3)C1C2,CHEMBL145780,6.85
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL125060,8.25
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+CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370600,7.41
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+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@H]2C)cc1,CHEMBL174533,6.59
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC3CC3)C[C@@H]2C)cc1,CHEMBL368861,7.7
+C=C(C)CN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL176806,7.44
+C=CCN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1,CHEMBL176037,7.66
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(CC=C(C)C)C[C@@H]2C)cc1,CHEMBL177610,7.44
+C/C=C/CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1,CHEMBL2112953,7.74
+C=CCN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@H](C)C1,CHEMBL177720,6.42
+C=CCN1C[C@H](C)[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@@H]1C,CHEMBL607015,7.28
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL315603,9.1
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O,CHEMBL441889,8.44
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)O,CHEMBL86765,9.96
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL2370048,5.58
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL315256,8.24
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL315225,9.92
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL83007,7.81
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O,CHEMBL420606,9.7
+COC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL147746,9.745
+CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL344984,10.08
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N1CCCC1,CHEMBL148143,8.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC(=O)O,CHEMBL424310,9.11
+CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL423028,9.12
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL149068,6.885
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C,CHEMBL146108,9.2
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL342294,7.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL343018,10.27
+CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C,CHEMBL147991,9.41
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL433541,9.86
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C,CHEMBL344106,10.14
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N1CCCCC1,CHEMBL433550,9.03
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1cccc1,CHEMBL149610,7.89
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL334898,6.57
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2371281,6.78
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371286,6.74
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL317264,5.97
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O,CHEMBL2371291,5.54
+CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O,CHEMBL2371285,5.66
+N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(N)=O,CHEMBL2371284,5.73
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611434,8.54
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611436,8.09
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncccc2C[C@@]3(O)[C@H]1C5,CHEMBL611435,7.74
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610522,9.06
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3[C@H]1C5,CHEMBL611685,8.96
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611686,7.64
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncccc2C[C@H]3[C@H]1C5,CHEMBL611687,8.1
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@H]1C5,CHEMBL611432,8.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)cc2C[C@H]3[C@H]1C5,CHEMBL611437,8.43
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,8.66
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611431,8.3
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,8.41
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346173,9.11
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611688,8.36
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611433,8.4
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611429,7.68
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610262,8.59
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611430,7.47
+COc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611428,6.84
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610260,7.39
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL119590,9.35
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL119535,7.21
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2370502,9.41
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NCC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL332803,8.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL538700,9.93
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL2370387,6.97
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(N)=O)N(C)C,CHEMBL106853,9.51
+CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104705,7.36
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104842,9.69
+Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O)N(C)C,CHEMBL2370390,6.97
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)O)N(C)C,CHEMBL104436,9.93
+CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104171,7.13
+Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2CC1C(=O)O)N(C)C,CHEMBL318395,8.24
+Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL3038229,7.89
+Cc1cc(O)cc(C)c1CC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL105263,5.88
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O,CHEMBL107386,9.42
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL107754,8.5
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL485576,6.67
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL2370388,9.87
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O,CHEMBL107644,7.95
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O)N(C)C,CHEMBL2370386,10.12
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O,CHEMBL93041,8.91
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)C(=O)O,CHEMBL2370384,9.55
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccccc3)c2)C[C@H]1C,CHEMBL158205,8.9
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,6.212999999999999
+C=CCN1C[C@H](C)N([C@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)CC)c2)C[C@H]1C,CHEMBL348415,8.68
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)CCc3ccccc3)c2)C[C@H]1C,CHEMBL156440,8.76
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3C(F)(F)F)c2)C[C@H]1C,CHEMBL156230,8.64
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(Cl)cc3)c2)C[C@H]1C,CHEMBL155797,8.56
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3F)c2)C[C@H]1C,CHEMBL157294,8.77
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(OC)cc3)c2)C[C@H]1C,CHEMBL346514,8.7
+C=CCN1C[C@H](C)N([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1C,CHEMBL345683,8.97
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1C,CHEMBL156584,8.86
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCCC)c3ccccc3)c2)C[C@H]1C,CHEMBL155748,8.04
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(c3ccccc3)C3CC3)c2)C[C@H]1C,CHEMBL157095,8.72
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C,CHEMBL345431,8.62
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL348585,8.56
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)Cc3ccccc3)c2)C[C@H]1C,CHEMBL422877,8.73
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL346987,8.16
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N3CCCc4ccccc43)c2)C[C@H]1C,CHEMBL157660,8.93
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL434075,8.85
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)c3ccccc3)c2)C[C@H]1C,CHEMBL349120,8.66
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C(C(=O)O)C1)N(C)C,CHEMBL150508,9.92
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL356451,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2,CHEMBL422855,9.59
+CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(NC)C4,CHEMBL134067,8.2
+CCC[C@H](C)C1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5c4[C@@]12CCN(C)[C@@H]3C5,CHEMBL133836,9.7
+C#CCOc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@](OCCCc4ccccc4)(C(NC)C2)[C@@]31CCC,CHEMBL334511,7.88
+CCC[C@@]12c3c(ccc(OC)c3OC)CC(NC)[C@]1(OCCCc1ccccc1)C=CC(=O)[C@H]2C,CHEMBL337272,9.12
+CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)C(NC)C4,CHEMBL133454,7.88
+CCC[C@]12c3c4ccc(O)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(NC)C4,CHEMBL335969,9.85
+Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL168110,5.48
+Cc1cccc(C)c1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL355178,7.34
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL118681,5.37
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1,CHEMBL326379,4.6
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12,CHEMBL120410,5.46
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1,CHEMBL120023,5.09
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12,CHEMBL119752,4.9
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL325230,4.8
+CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL331653,4.88
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1,CHEMBL116708,4.71
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL120530,5.2
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL333007,5.76
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1,CHEMBL332309,4.71
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12,CHEMBL325702,5.44
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1,CHEMBL120371,4.64
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1,CHEMBL330984,5.01
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12,CHEMBL332523,4.77
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+Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1,CHEMBL2375157,10.24
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1,CHEMBL606737,9.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1,CHEMBL501451,10.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1,CHEMBL458631,10.51
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO,CHEMBL328135,9.36
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(N)=O,CHEMBL607402,9.64
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1,CHEMBL109390,10.46
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2ccccc2[nH]1,CHEMBL607403,10.17
+N[C@@H](Cc1ccccc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1,CHEMBL110214,4.34
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL111485,5.08
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL108808,7.34
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL108426,4.66
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL323216,7.83
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL108640,7.27
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL320545,5.19
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL109204,6.94
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1,CHEMBL109203,7.21
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL109400,5.21
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL109818,6.88
+N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL485832,7.245
+N=C(N)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL96609,6.95
+N=C(N)NC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL92917,6.97
+N#CNC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL330751,8.02
+N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112373,7.97
+CN(C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL93543,7.8
+C[N+](C)(C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL92665,7.11
+N=C(N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL96525,7.48
+N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112374,7.51
+Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346165,9.19
+N=C(N)Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL348011,7.73
+Oc1ccc2c3c1O[C@H]1c4ncc(NCc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL149256,8.89
+N#Cc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL150028,8.35
+O=[N+]([O-])c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL358208,8.26
+Oc1ccc2c3c1O[C@H]1c4ncc(CNc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL146907,8.74
+Oc1ccc2c3c1O[C@H]1c4ncc(Br)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL356861,8.92
+CCOC(=O)c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL357680,8.38
+Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL356387,8.1
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,CHEMBL296230,8.15
+CC(C)[C@@H](CN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112475,6.84
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C,CHEMBL575508,6.21
+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C,CHEMBL2373217,6.99
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C,CHEMBL2373184,7.08
+CCC(=O)N(c1ccccc1)[C@H]1CCN(CC(O)c2ccccc2)C[C@@H]1C,CHEMBL544473,6.83
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C,CHEMBL38685,7.11
+CCCCN(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C,CHEMBL406361,8.59
+CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O,CHEMBL2370673,8.69
+CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL424631,8.02
+CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL129247,8.77
+CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)(C)C,CHEMBL339226,9.34
+CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C(N)=O)CC(C)C,CHEMBL129052,9.07
+CC[C@H](C)N(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370671,10.025
+CCCCN(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL340919,10.4
+CCCCN(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C,CHEMBL339437,7.91
+CCCCN(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL341063,8.72
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5c4C2(CCN3CC2CC2)C1O5,CHEMBL321170,4.34
+COc1cccc2c1C13CCN(CC4CC4)[C@H](C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3,CHEMBL110640,4.77
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc(O)c4C2(CCN3CC2CC2)C1,CHEMBL325347,5.3
+CCCCCCN1[C@H]2CC[C@@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL275288,7.48
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL12912,7.68
+O=C(O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL273929,6.45
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)cc1,CHEMBL12752,8.4
+CCN(CC)C(=O)c1ccc(N(c2cccc(SC)c2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL268981,8.05
+CN(C)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL13374,7.28
+CN(C)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL13309,7.52
+CCCN1[C@H]2CC[C@@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL12765,6.82
+CN1[C@H]2CC[C@@H]1C[C@@H](N(c1ccccc1)c1ccc(C(=O)OC(C)(C)C)cc1)C2,CHEMBL12680,5.65
+CCC(CC)CN1[C@H]2CC[C@@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL13292,7.38
+CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL13691,8.4
+CCCCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL274167,8.3
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@@H]3CC[C@H](C2)N3CC=C(C)C)cc1,CHEMBL275011,7.92
+C=C(C)CN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL13055,8.7
+CCCN(C)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL13327,8.4
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1,CHEMBL275135,8.1
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+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL274125,9.4
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+C=C(C)CN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL13616,8.7
+CN(C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1)c1ccccc1,CHEMBL274650,8.22
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+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL13143,8.15
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+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1,CHEMBL13146,6.52
+CCCN1[C@H]2CC[C@@H]1C[C@@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,CHEMBL13286,8.52
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)C1Cc2ccc(O)cc2CN1,CHEMBL51204,6.52
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+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1cccc([N+](=O)[O-])c1,CHEMBL2310839,5.65
+CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C/C=C/c1cccc([N+](=O)[O-])c1,CHEMBL67384,5.12
+CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C/C=C/c1ccccc1,CHEMBL307793,5.64
+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1cccc(Cl)c1,CHEMBL2310837,6.05
+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1ccccc1,CHEMBL2310838,6.3
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CSCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL126611,5.61
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+C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CCN(CCc1ccccc1)C2,CHEMBL107398,5.9
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL339456,9.21
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+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL355153,5.84
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL436039,5.2
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL166312,6.25
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL423466,6.75
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL355141,5.29
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCCCC2)cc1,CHEMBL127240,5.52
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCOCC2)cc1,CHEMBL125626,5.52
+CCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL153183,6.21
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCN(C)CC2)cc1,CHEMBL541349,6.48
+C=CCN1CCN(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL346625,7.57
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1,CHEMBL338980,8.31
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL150609,8.83
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1,CHEMBL555571,7.36
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1,CHEMBL552849,6.61
+C=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL544641,7.98
+CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(OC)c2)cc1,CHEMBL545335,7.92
+CCN(CC)C(=O)c1ccc(C(OCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL150785,6.59
+CCCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL150430,7.35
+C=CCN1CCC(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL555570,7.57
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1,CHEMBL542267,8.3
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1,CHEMBL544638,7.7
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL337898,7.17
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL339089,8.19
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL262312,8.08
+CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL132164,8.44
+CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](C(C)C)NC1=O,CHEMBL129815,6.25
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL436590,9.18
+CC(C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(N)=O)NC1=O,CHEMBL338985,6.14
+CC(C)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](C(C)C)NC1=O,CHEMBL338466,6.61
+Cc1ccccc1/C=C/CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL52451,6.85
+C[C@H]1CN(C/C=C/c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL51838,6.49
+C[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL441049,5.8
+C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113735,6.15
+C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL61653,5.84
+C[C@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113734,6.08
+C[C@H]1CN(C/C=C/c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1,CHEMBL50594,6.77
+C[C@H]1CN(C/C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL64019,6.03
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL49144,6.67
+CCCN1CCN(/C(=N\c2cccc(Cl)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48476,6.75
+CCN1CCN(/C(=N\c2cccc(Cl)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48542,7.2
+COC(=O)c1ccc(/C(=N/c2ccccc2)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL45877,6.09
+CCCN(CCC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(CC)CC2)cc1,CHEMBL48932,6.53
+CCN1CCN(/C(=N\c2cccc(Br)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL300057,7.24
+CCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL46031,7.04
+CCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)OC)cc2)CC1,CHEMBL301587,6.65
+CCN1CCN(/C(=N\c2cc(Cl)cc(Cl)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL49660,6.56
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2)N2CCN(CCc3cccs3)CC2)cc1,CHEMBL48325,6.12
+C=CCN1C[C@H](C)N(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C,CHEMBL49874,6.77
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(CCc3cccs3)CC2)cc1,CHEMBL48417,7.02
+COC(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL295618,7.0
+CCCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)OC)cc2)CC1,CHEMBL51539,7.06
+C=CCN1CCN(/C(=N\c2cccc(Cl)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL51473,6.8
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccc(Cl)cc2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL48785,6.85
+C=CCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48983,7.69
+CCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL49463,7.8
+CCCN(CCC)C(=O)c1ccc(/C(=N/c2ccccc2OC)N2CCN(CC)CC2)cc1,CHEMBL48883,5.99
+CCN1CCN(/C(=N\c2cccc(F)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL49712,7.23
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(CCOC)CC2)cc1,CHEMBL297574,7.27
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(CCOC)CC2)cc1,CHEMBL47001,7.64
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL49741,6.27
+C=CCN1C[C@H](C)N(/C(=N\c2ccccc2)c2ccc(C(=O)OC)cc2)C[C@H]1C,CHEMBL50657,6.39
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL301516,8.91
+C=CCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL298343,6.07
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL49347,7.53
+CCN1CCN(/C(=N\c2ccccc2F)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48590,6.93
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL48852,6.26
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL297498,7.93
+CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC1=O,CHEMBL2372202,7.27
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@@H]1C2,CHEMBL2111684,5.7
+COc1cccc([C@]23CCN(C)[C@H](CC(=O)C2)C3)c1,CHEMBL2111686,6.3
+CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@H]1C2,CHEMBL3350264,6.13
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2,CHEMBL2008608,6.57
+CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL157125,5.75
+CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL154309,6.58
+CC[C@@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL154140,5.73
+CC[C@@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL346240,6.26
+CN(c1ccc([N-][N+]#N)cc1)C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,CHEMBL314209,9.15
+CC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL312281,7.12
+CN(c1ccc([N+]#N)cc1)C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,CHEMBL311995,9.22
+CCOc1ccc(Cc2nc3cc([N-][N+]#N)ccc3n2CCN(CC)CC)cc1,CHEMBL310829,6.4
+CC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccc([N-][N+]#N)cc1,CHEMBL312046,7.0
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(C)C)C(=O)NCC(N)=O,CHEMBL2370332,5.02
+C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O,CHEMBL1790778,7.17
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2370329,5.75
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C,CHEMBL2370328,8.81
+CC(=O)OC[C@H]1O[C@H](O[C@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2370331,5.68
+CC(=O)OC[C@H]1O[C@H](O[C@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2370333,4.65
+CC(=O)OC[C@@H]1O[C@H](O[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)C(=O)NCC(N)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1790779,8.89
+CC(=O)OC[C@@H]1O[C@H](O[C@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(N)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2369626,7.06
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113662,8.71
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113653,8.92
+CCCO[C@@]12Cc3c(n(CCC)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113645,8.89
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113652,8.28
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2Cc2ccccc2Cl)C[C@@]3(OCc2ccccc2Cl)[C@H]1C5,CHEMBL2113663,6.82
+CCO[C@@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113646,8.93
+C=CCO[C@@]12Cc3c(n(CC=C)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC=C)[C@@H]2C5,CHEMBL2113661,8.14
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CC1)[C@@H]2C5,CHEMBL2113647,8.28
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CCC1)[C@@H]2C5,CHEMBL2113659,7.9
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OC)[C@H]1C5,CHEMBL2113657,8.42
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(CC)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL2113658,7.51
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113656,8.4
+CC(C)CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113655,7.89
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113660,7.94
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113654,8.59
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCCCC1)[C@@H]2C5,CHEMBL2113651,6.43
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,8.95
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL55498,8.51
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL299029,8.2
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,8.14
+CC1(C)SSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL301702,7.72
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL56394,6.06
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL299497,4.89
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL56933,8.33
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL55734,8.87
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL298972,8.21
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+Cc1cc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL118487,6.9
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+Cc1nc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL333393,6.49
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+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112571,7.8
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+CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL175116,10.44
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)NC[C@@H]2C)cc1,CHEMBL108298,8.33
+C=C(C)CN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL108993,8.32
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(C)C[C@@H]2C)cc1,CHEMBL323733,8.35
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CCCc3ccccc3)C[C@@H]2C)cc1,CHEMBL320955,7.78
+CCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL111656,8.57
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1,CHEMBL111389,8.28
+CCCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL108543,8.33
+CCCCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL321927,7.98
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CC3CC3)C[C@@H]2C)cc1,CHEMBL320356,8.46
+C/C=C/CN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,CHEMBL108874,8.72
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1,CHEMBL108659,8.21
+CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CCc3ccccc3)C[C@@H]2C)cc1,CHEMBL111553,7.51
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL152690,9.32
+Cc1cc(O)cc(C)c1C[C@H](NC=O)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL152689,6.66
+Cc1cc(O)cc(C)c1CCC(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL151098,6.35
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL20956,9.44
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL20999,9.92
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL20817,6.26
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL277249,8.56
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+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL982,8.47
+C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL98507,7.99
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1,CHEMBL188558,8.28
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL361274,9.05
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c(Br)[nH]1,CHEMBL408680,9.96
+Cc1[nH]c([C@@H]2CCCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)nc1-c1ccccc1,CHEMBL366311,7.665
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,7.3
+Cc1cc(O)ccc1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371713,6.28
+CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371714,7.25
+Cc1cc(O)cc(C(C)C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371717,6.72
+CCc1cc(O)cc(CC)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371718,7.16
+CC(C)c1cc(O)cc(C(C)C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371719,6.98
+Cc1cc(O)c(C)c(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371720,6.23
+Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O,CHEMBL2371722,7.55
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)O/N=C/[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL197196,4.7
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)O/N=C/[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL196127,4.43
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL193636,5.08
+Cc1cc(O)cc(C)c1C[C@H](N)CN1Cc2ccccc2C[C@H](NC(=O)Cc2ccccc2)C1=O,CHEMBL372722,7.59
+Cc1cc(O)cc(C)c1C[C@@H](N)CN1Cc2ccccc2C[C@H](NC(=O)Cc2ccccc2)C1=O,CHEMBL192278,6.16
+Cc1cc(O)cc(C)c1C[C@H](N)CN1Cc2ccccc2C[C@@H](NC(=O)Cc2ccccc2)C1=O,CHEMBL192515,5.96
+Cc1cc(O)cc(C)c1C[C@@H](N)CN1Cc2ccccc2C[C@@H](NC(=O)Cc2ccccc2)C1=O,CHEMBL363640,5.54
+Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)[C@@H]4Oc6c(O)ccc7c6[C@@]46CCN(CC4CC4)[C@H](C7)[C@]6(O)C5)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2113078,8.07
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2C)[C@H]4O5,CHEMBL606959,7.01
+C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c(O)ccc5c4[C@@]24CCN(C)[C@H](C5)[C@]4(O)C3)CC2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CCN3C,CHEMBL2113073,6.68
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL2371868,6.52
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2cc(O)ccc2CN1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL191777,7.98
+COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL607348,6.06
+COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL606707,6.74
+COc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@]1(O)CCC(=O)C3,CHEMBL606768,7.04
+COc1ccc2c(c1O)[C@@]13C=C(C#N)CC[C@@]1(O)[C@@H](C2)N(C)CC3,CHEMBL607349,6.3
+COc1ccc2c(c1O)[C@@]13C=C(C#N)CC[C@@]1(OC)[C@@H](C2)N(C)CC3,CHEMBL607347,6.71
+COc1ccc2c(c1OC)[C@@]13C=C(C#N)CC[C@@]1(O)[C@@H](C2)N(C)CC3,CHEMBL607350,6.97
+C=CCO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL607404,7.44
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL607351,8.67
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL607482,8.44
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2cccc3ccccc23)[C@H]1C5,CHEMBL607407,8.53
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2c(Cl)cccc2Cl)[C@H]1C5,CHEMBL607483,6.82
+CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL607406,8.5
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL963,7.09
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13,CHEMBL611393,8.64
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607067,8.05
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607118,8.64
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@H]1CC1c2ccccc2NC1C3,CHEMBL179679,7.03
+CCN1CC[C@]23CC4Nc5ccccc5C4C[C@H]2C1Cc1ccc(OC)c(O)c13,CHEMBL359917,6.29
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@@H]1CC1c2ccccc2NC1C3,CHEMBL178829,8.15
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606673,8.08
+CCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL607484,7.8
+CCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606738,7.59
+CCCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606608,7.1
+CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL607485,7.48
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606676,8.42
+CC(C)CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606607,8.42
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606798,8.13
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606675,8.33
+CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606606,7.6
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610618,7.28
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610617,7.17
+O=C(Oc1cccc2[nH]c3c(c12)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611397,7.83
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610878,7.8
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611399,7.75
+O=C(Oc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611132,8.36
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611133,7.74
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611396,8.19
+O=C(Oc1ccc2c3c([nH]c2c1)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610616,8.17
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(-c6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611131,8.68
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611398,9.15
+O=C(Oc1cccc2c3c([nH]c12)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610620,8.51
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610880,8.43
+Cc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610879,7.15
+C=Cc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610882,7.21
+O[C@@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4c(-c5ccco5)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL611130,6.02
+O[C@@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4c(-c5ccccc5)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610877,4.98
+Oc1cccc(-c2ccc3c4c2O[C@@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1,CHEMBL610619,5.79
+COc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL606797,7.02
+COc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C(C)[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL606848,7.57
+CCCCC1c2c([nH]c3ccccc23)[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606605,6.43
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5,CHEMBL606741,8.62
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606795,9.15
+CCCCC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606674,7.66
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]1(O)CC1c2ccccc2NC1C3,CHEMBL363631,6.66
+CCN1CC[C@]23CC4Nc5ccccc5C4C[C@@]2(O)C1Cc1ccc(OC)c(O)c13,CHEMBL193877,6.16
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC1c2ccccc2NC1C3,CHEMBL370897,7.66
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195784,9.11
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL370544,8.75
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL192443,9.06
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195684,8.66
+Oc1ccc2c3c1O[C@H]1c4nccc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL194021,7.14
+Cc1cc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL364055,6.9
+Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195770,8.46
+Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL363601,7.64
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL363348,7.8
+Cc1nc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL371565,6.49
+C=C(C)CN1CC[C@]23c4c5ccc(OC)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606796,6.3
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL317536,7.8
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL318957,6.59
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(CCc4ccccc42)C[C@@]3(O)C1C5,CHEMBL192133,7.39
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccccc2)C[C@@]3(O)C1C5,CHEMBL194938,6.68
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2C(=O)/C(=C\c2ccccc2)C[C@@]3(O)C1C5,CHEMBL194995,5.47
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,7.4
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL95847,5.62
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,8.09
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL95408,7.36
+C=CCN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL364937,8.09
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)C1C5,CHEMBL427546,8.54
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL194033,8.41
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)C1C5,CHEMBL193586,8.4
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3C1C5,CHEMBL195756,8.31
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3C1C5,CHEMBL265033,8.36
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3C1C5,CHEMBL425728,8.3
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)cc2C[C@H]3C1C5,CHEMBL195879,8.43
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3C1C5,CHEMBL363777,8.96
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4C(C2)N(CC2CC2)CCC314,CHEMBL364247,8.59
+C=CCN1CCC23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(OCC)C1C5,CHEMBL195082,7.97
+CCCCOc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL611144,6.12
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OC/C=C/c2ccccc2)c13,CHEMBL195411,6.08
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCCCc2ccccc2)c13,CHEMBL370759,5.85
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCc2ccccc2)c13,CHEMBL372439,6.67
+CCCCCCOc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL194825,5.93
+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc(O)c4C2(CCN3CC2CC2)C1,CHEMBL370966,8.3
+COc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3,CHEMBL370735,7.77
+CCCCOc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3,CHEMBL190978,6.63
+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5,CHEMBL371845,7.34
+CC1CN(CCCc2ccccc2)C2CC(N)CC1(c1cccc(O)c1)C2,CHEMBL195477,7.83
+CC1CN(CCCc2ccccc2)C2CC(NC(=O)CCCN(C)C)CC1(c1cccc(O)c1)C2,CHEMBL195562,5.84
+CC(=N)NCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL425735,7.25
+CC1CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL195316,7.4
+CC(=N)NCCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL195040,5.76
+CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606739,8.3
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606740,8.7
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(=O)O,CHEMBL354966,10.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C,CHEMBL422547,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1,CHEMBL436063,9.7
+C=CCn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc21,CHEMBL354392,9.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1,CHEMBL173884,9.44
+CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc21,CHEMBL197183,9.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O,CHEMBL322300,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1[nH]c(=O)c(CNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL200890,9.79
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL198800,10.02
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL381874,9.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL373668,9.49
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL198646,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O,CHEMBL370398,10.04
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL196774,9.97
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL370197,9.91
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL197185,9.89
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+CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089546,5.17
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)O,CHEMBL1214048,7.19
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159116,7.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1,CHEMBL2159114,7.59
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159113,6.59
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159111,6.15
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1nc(-c2ccccc2)c[nH]1)C(C)C,CHEMBL2159112,5.28
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322562,8.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322563,8.39
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322564,7.25
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CCc3ccccc3)cc21,CHEMBL2322565,6.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322566,7.18
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322567,6.74
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322568,8.03
+C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1,CHEMBL2323574,6.32
+C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2323575,6.35
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2323576,6.62
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1,CHEMBL2323577,9.14
+CN(C)C1=NC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CN1,CHEMBL2402928,6.13
+CCNC1=NC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CN1,CHEMBL2402940,6.58
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+CSC1=NC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CN1,CHEMBL2402937,7.96
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+C/N=C1/NCCC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCN1,CHEMBL2402933,6.73
+CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=N)NCCC[C@@H](C(N)=O)NC1=O,CHEMBL2402932,6.97
+CSC1=NCCC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCN1,CHEMBL2402931,6.72
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+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL3038178,8.58
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038177,8.56
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+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038185,9.1
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038184,9.84
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL3038183,9.51
+N=C(N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL3038182,9.01
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1,CHEMBL3104103,8.16
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1,CHEMBL3104100,8.18
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CHEMBL3104099,7.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C/C=C/c2cccc3ccccc23)CC1,CHEMBL3104110,7.96
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1,CHEMBL3104109,8.18
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL3104108,7.44
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1,CHEMBL3104107,7.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL3104106,8.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc21,CHEMBL3104105,7.85
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c(C)cccc1C)C(N)=O,CHEMBL3233200,7.48
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)O)NC(=O)C2(Cc3ccccc3C2)NC1=O,CHEMBL3237720,8.64
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236678,5.68
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)C(N)=O,CHEMBL3264359,7.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1)C(N)=O,CHEMBL3264360,7.92
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+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3331510,8.28
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL3331509,8.74
+CCC(=O)N(c1ccccc1)[C@]1(C(=O)OC)CC[C@@H](CCc2ccccc2)CC1,CHEMBL3325854,6.96
+O=CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL1091995,4.75
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+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1,CHEMBL3408736,8.35
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O,CHEMBL3408737,7.77
+NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409757,6.41
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3409758,8.7
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3409759,8.7
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409752,5.91
+NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409753,6.12
+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409754,6.08
+NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL430643,5.39
+NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409744,6.01
+NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409745,5.42
+NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409746,6.25
+NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409747,6.34
+NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409748,5.6
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409749,5.48
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409750,5.75
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409751,6.23
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)Cc1ccccc1,CHEMBL3409764,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1,CHEMBL3409765,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1,CHEMBL3409766,9.0
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409755,5.64
+N=C(N)NCCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL3409756,6.32
+NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409741,6.29
+NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409742,6.54
+NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409743,6.36
+NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409740,6.34
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581740,9.32
+CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581741,9.4
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581750,9.6
+CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3581754,9.33
+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccccc4)N2C[C@@H]3Cc2ccccc2)cc1,CHEMBL3589702,5.68
+Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1,CHEMBL3589703,5.89
+CC(C)C[C@H]1CN2C(=N1)CC1=NC[C@H](Cc3ccccc3)N1C[C@@H]2Cc1ccc(O)cc1,CHEMBL3589704,7.24
+CC(C)C[C@H]1CN2C(=CC3=NC[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1,CHEMBL3589705,7.43
+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccccc4)N2C[C@@H]3Cc2ccc(O)cc2)cc1,CHEMBL3589706,6.47
+Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1,CHEMBL3589707,6.73
+CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccccc2)N1CCc1ccccc1,CHEMBL3589709,5.99
+CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21,CHEMBL3589794,5.86
+CC(C)C[C@H]1CN2C(=N1)CC1=NC[C@H](C(C)C)N1C[C@@H]2Cc1ccc(O)cc1,CHEMBL3589795,6.67
+CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1,CHEMBL3589796,7.49
+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccc(O)cc4)N2C[C@@H]3Cc2ccccc2)cc1,CHEMBL3589797,7.16
+Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1,CHEMBL3589798,7.3
+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccc(O)cc4)N2C[C@@H]3Cc2ccc(O)cc2)cc1,CHEMBL3589799,6.5
+Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1,CHEMBL3589800,6.41
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@H]21,CHEMBL3299005,6.3
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H]1CCC[C@H]2N1CCCC1,CHEMBL3634395,6.28
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H](N3CCCC3)CCC[C@@H]21,CHEMBL3634397,5.99
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CCCC3)CCC[C@H]21,CHEMBL3634398,6.89
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@@H]21,CHEMBL3634516,7.24
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+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc43)ccc21,CHEMBL3634258,9.08
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc43)cc21,CHEMBL3634257,8.17
+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc21,CHEMBL3634256,9.36
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3cccc4ccccc34)cc21,CHEMBL3634255,8.3
+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc21,CHEMBL3634254,8.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL3634253,7.92
+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3634252,9.64
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc21,CHEMBL3634251,7.85
+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc21,CHEMBL3634250,9.49
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc21,CHEMBL3634249,8.47
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc21,CHEMBL3634248,8.4
+CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3634247,8.74
+O=C(Nc1ccccc1)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679602,7.7
+O=C(O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)c1,CHEMBL3679615,8.52
+O=C(Nc1ccc([N+](=O)[O-])cn1)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679617,7.88
+COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679626,8.61
+O=C1C(C(=O)N2CCCC2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3679601,8.13
+CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)c1,CHEMBL3679618,8.23
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+O=C(N[C@H]1CCOC1=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679614,7.86
+COc1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cn1,CHEMBL3679607,7.56
+COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679627,8.27
+COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)ncn1,CHEMBL3679620,8.28
+CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O)c1nc(-c2ccccc2)no1,CHEMBL3679624,9.04
+Cc1noc(C(C)(C)NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)n1,CHEMBL3679625,8.24
+CN(C)c1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1,CHEMBL3679605,7.38
+COC(=O)C1(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)CCCC1,CHEMBL3679611,8.01
+COCC1(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)CC1,CHEMBL3679623,8.43
+CC(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679600,8.13
+CCCCNC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679599,8.06
+COC(=O)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679606,8.4
+Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@@H](O7)C3=O)ccc12,CHEMBL3679619,7.94
+CN(Cc1ccccc1)C(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679603,8.3
+CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,CHEMBL3679628,9.33
+O=C(Nc1cccnc1)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3639784,8.28
+CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,CHEMBL3679621,9.25
+O=C(NCCOc1ccccc1)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL3679604,8.27
+Cc1ccc2nc(=O)c3c(n2c1)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)C(C4)[C@]2(O)C3,CHEMBL3679622,7.38
+COC(=O)C1(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)CCC1,CHEMBL3679616,7.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3759179,6.96
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3759167,7.29
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL3759981,5.37
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cccc3ccccc23)NC1=O,CHEMBL3758969,5.04
+CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(N)=O)NC1=O,CHEMBL3759294,7.92
+CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC1=O,CHEMBL3759831,7.96
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL3759663,9.1
+NC(=O)NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,CHEMBL3764157,5.48
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccncc2)NC1=O,CHEMBL3763985,5.64
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccnc2)NC1=O,CHEMBL3763920,5.89
+N[C@@H](Cc1ccc(O)cc1)C(=O)[C@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N2Cc3cc(O)ccc3C[C@H]2C(=O)N1,CHEMBL3763452,6.2
+N[C@@H](Cc1ccc(O)cc1)C(=O)[C@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N2Cc3ccccc3C[C@H]2C(=O)N1,CHEMBL3764234,6.22
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL3764556,7.0
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,CHEMBL3763905,6.77
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL3765059,7.41
+Nc1ccccc1C(=O)NC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,CHEMBL3763495,6.06
+N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770284,5.8
+Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770024,6.18
+N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770643,7.43
+Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc32)c(C)cc1O,CHEMBL3770677,6.41
+Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL3770668,7.38
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1,CHEMBL3780776,6.27
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CC[C@@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2)C1,CHEMBL3780408,6.47
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O,CHEMBL3781680,6.54
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN([C@@H]3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C[C@@H]3c3ccccc3)CC2)C1=O,CHEMBL3781519,7.97
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N(C)[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)C1=O,CHEMBL3781336,7.95
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)C1=O,CHEMBL3780686,8.15
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1,CHEMBL3759092,7.48
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cccnc12,CHEMBL3798175,6.27
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc2ncccc2c1,CHEMBL3799570,6.48
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ncccc12,CHEMBL3797616,6.51
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cnc2ccccc2c1,CHEMBL3800620,6.13
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cnccc12,CHEMBL3797702,6.74
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12,CHEMBL3797228,6.68
+CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3822956,8.96
+CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3824052,9.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C(C)C)c2ccc(Cc3ccccc3)cc21,CHEMBL3824042,9.28
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823231,9.46
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823787,9.82
+COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3823830,9.29
+COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3822963,8.68
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc21,CHEMBL3823958,9.62
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc21,CHEMBL3824309,8.7
+CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3823815,9.24
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(=O)O)c2ccc(Cc3ccccc3)cc21,CHEMBL3824013,7.17
+CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3823186,9.68
+CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3823891,9.1
+COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21,CHEMBL3824356,9.0
+CCc1cc(O)cc(CC)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3822822,5.63
+Cc1cc(O)cc(C(C)C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3822702,5.33
+CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3822676,6.24
+Cc1cc(O)c(C)c(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3823054,5.54
diff --git a/chembl_200/CHEMBL270.csv b/chembl_200/CHEMBL270.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9a1b534a351bd009f9cc05856ae458da0119c00a
--- /dev/null
+++ b/chembl_200/CHEMBL270.csv
@@ -0,0 +1,2138 @@
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@H](C)C1,CHEMBL102497,5.75
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,CHEMBL25230,7.535
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL321092,5.8
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+CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117183,7.8
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2,CHEMBL114203,7.64
+CCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114123,8.33
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114358,8.06
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+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL115998,6.61
+CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL325052,5.0
+CCCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL116643,6.1
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+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C,CHEMBL115917,7.96
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+CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324392,5.76
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+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117321,5.86
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+CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117379,8.12
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2,CHEMBL326370,6.33
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL278889,8.19
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+C=CCN1CCC(N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C(C)C1,CHEMBL115730,5.92
+CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL543947,7.4
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,4.85
+NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL91890,8.4
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+CCCCCN(CC(=O)N(CCc1ccc(O)cc1)CC(N)=O)C(=O)CNCC(c1ccccc1)c1ccccc1,CHEMBL89378,7.34
+NC(=O)CN(CCc1ccc(O)cc1)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CNCC(c1ccccc1)c1ccccc1,CHEMBL90649,8.22
+COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC,CHEMBL327549,7.51
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,7.63
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CC1)C2C5,CHEMBL558004,7.41
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL608246,6.197
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL608245,6.18
+CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL318859,7.06
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@@H]1C2,CHEMBL2111684,6.41
+COc1cccc([C@]23CCN(C)[C@H](CC(=O)C2)C3)c1,CHEMBL2111686,7.45
+CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@H]1C2,CHEMBL3350264,7.42
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2,CHEMBL2008608,8.35
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@@H]1C2,CHEMBL2111685,7.35
+CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL153965,7.49
+CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL157125,7.06
+CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC,CHEMBL345163,5.65
+CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL154309,9.6
+CC[C@@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL345377,7.46
+CC[C@@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL154140,7.0
+CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL348564,6.47
+CC[C@@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC,CHEMBL346240,6.41
+CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC,CHEMBL158249,6.84
+CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1,CHEMBL72850,9.11
+CC(C)COC(=O)CNC(=O)C(Cc1ccccc1)CN1CCC(C)(c2cccc(O)c2)C(C)C1,CHEMBL3350687,8.4
+C[C@H]1CN(CC(Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL73233,8.59
+C[C@H]1CN(CC(Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,CHEMBL308501,9.05
+CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL15595,8.03
+Oc1ccc2c3c1O[C@H]1[C@@H](I)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610281,8.73
+Oc1ccc2c3c1O[C@H]1[C@@H](Br)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610283,8.915
+Oc1ccc2c3c1O[C@H]1[C@H](F)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610282,8.475
+Oc1ccc2c3c1O[C@H]1[C@H](I)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610027,9.32
+CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C,CHEMBL296603,6.045
+N=C(N)NCCC[C@@H](NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCCC(N)C(=O)O,CHEMBL436434,8.24
+NC(=O)[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@@H](N)c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL2371283,7.98
+N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O,CHEMBL2371282,8.92
+C=C[C@@H](C)N1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367797,8.23
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCc1ccccc1,CHEMBL2368630,7.7
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C/C=C/Cl,CHEMBL2367804,5.7
+CC#CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367789,8.29
+CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL60542,5.77
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCCc1ccccc1,CHEMBL2367788,6.57
+C/C=C/CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367798,8.05
+C=C[C@H](C)N1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367806,5.64
+C/C=C\CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367808,5.77
+C=C[C@@H](C)N1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367807,6.16
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CN2CC1CC1,CHEMBL2021605,5.91
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCc1ccccc1,CHEMBL2367800,8.4
+C/C=C/CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367799,5.25
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,CHEMBL94350,7.26
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCc1ccccc1,CHEMBL2367801,7.17
+C=C[C@H](C)N1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367796,8.52
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C,CHEMBL2367794,7.96
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1,CHEMBL316632,9.7
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2,CHEMBL2367795,6.33
+CC(C)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367802,5.46
+C=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL98883,8.44
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C/C=C/Cl,CHEMBL2367791,8.82
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1,CHEMBL2368614,7.01
+CC#CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL2367809,6.0
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCCCc1ccccc1,CHEMBL2367793,6.59
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2,CHEMBL2367787,7.64
+C/C=C\CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367792,7.96
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,7.89
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL2367803,5.3
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1,CHEMBL2368615,5.79
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1,CHEMBL2368631,6.46
+CC(C)CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL2367790,8.31
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL312194,8.43
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL420022,5.86
+COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C,CHEMBL557749,8.02
+CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL555522,6.15
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+COC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL147746,7.95
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+COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL145865,6.37
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NN,CHEMBL147646,7.07
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC(=O)O,CHEMBL424310,6.38
+CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL423028,7.07
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL149068,7.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C,CHEMBL146108,8.22
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL342294,9.59
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+CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C,CHEMBL147991,6.44
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL433541,8.95
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+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N1CCCCC1,CHEMBL433550,5.69
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C)N(C)C,CHEMBL343189,6.65
+Cc1cc(O)cc(C)c1CC(CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL358534,5.76
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1cccc1,CHEMBL149610,5.25
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2C,CHEMBL133815,6.78
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL334898,8.51
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371286,8.45
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL2371281,8.59
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O,CHEMBL2371291,8.87
+CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O,CHEMBL2371285,8.93
+N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(N)=O,CHEMBL2371284,7.63
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611434,7.59
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611436,6.33
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncccc2C[C@@]3(O)[C@H]1C5,CHEMBL611435,8.1
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610522,7.87
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3[C@H]1C5,CHEMBL611685,7.01
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611686,5.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncccc2C[C@H]3[C@H]1C5,CHEMBL611687,7.89
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@H]1C5,CHEMBL611432,7.62
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)cc2C[C@H]3[C@H]1C5,CHEMBL611437,7.03
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,7.29
+CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL440765,5.14
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611431,6.7
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,6.64
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346173,8.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611688,6.83
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611433,6.71
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611429,5.69
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610262,7.21
+COc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611428,6.49
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610260,5.71
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL2370387,4.72
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(N)=O)N(C)C,CHEMBL106853,6.29
+CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104705,4.94
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104842,6.42
+Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O)N(C)C,CHEMBL2370390,4.72
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)O)N(C)C,CHEMBL104436,5.61
+CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL104171,4.91
+Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2CC1C(=O)O)N(C)C,CHEMBL318395,4.88
+Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL3038229,5.59
+Cc1cc(O)cc(C)c1CC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL105263,4.15
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O,CHEMBL107386,6.02
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)O,CHEMBL107754,5.7
+CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O,CHEMBL2370388,5.23
+CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O,CHEMBL107644,5.88
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O)N(C)C,CHEMBL2370386,5.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)C(=O)O,CHEMBL2370384,5.24
+C[C@@H](c1ccc(O)cc1)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371009,6.45
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2371027,6.09
+C[C@H](c1ccc(O)cc1)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371023,6.55
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371015,7.33
+C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371020,6.83
+C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2369139,7.08
+C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371019,5.69
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371026,6.3
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371016,6.01
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2364557,6.18
+C[C@H](c1ccc(O)cc1)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371014,5.8
+Oc1ccc2c3c1OC1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318004,6.44
+Oc1ccc2c3c1OC1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318858,5.84
+Oc1ccc2c3c1OC1c4[nH]c5c(-c6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL317276,6.91
+Oc1ccc2c3c1OC1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318414,6.78
+Oc1ccc2c3c1OC1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL99136,7.09
+Oc1ccc2c3c1OC1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318213,5.82
+Oc1ccc2c3c1OC1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL95217,6.53
+Oc1ccc2c3c1OC1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL419144,5.89
+Oc1ccc2c3c1OC1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL95596,7.12
+Oc1ccc2c3c1OC1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL317298,7.47
+Oc1ccc2c3c1OC1c4[nH]c5c(OCc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL319964,6.8
+Oc1ccc2c3c1OC1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318432,6.63
+Oc1ccc2c3c1OC1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL99094,6.17
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccccc3)c2)C[C@H]1C,CHEMBL158205,8.74
+C=CCN1C[C@H](C)N([C@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)CC)c2)C[C@H]1C,CHEMBL348415,8.49
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)CCc3ccccc3)c2)C[C@H]1C,CHEMBL156440,8.66
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3C(F)(F)F)c2)C[C@H]1C,CHEMBL156230,8.56
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(Cl)cc3)c2)C[C@H]1C,CHEMBL155797,8.46
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3F)c2)C[C@H]1C,CHEMBL157294,8.8
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(OC)cc3)c2)C[C@H]1C,CHEMBL346514,8.63
+C=CCN1C[C@H](C)N([C@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1C,CHEMBL345683,8.81
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1C,CHEMBL156584,8.97
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCCC)c3ccccc3)c2)C[C@H]1C,CHEMBL155748,8.05
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(c3ccccc3)C3CC3)c2)C[C@H]1C,CHEMBL157095,8.63
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C,CHEMBL345431,8.56
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL348585,8.15
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)Cc3ccccc3)c2)C[C@H]1C,CHEMBL422877,8.67
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL346987,8.15
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N3CCCc4ccccc43)c2)C[C@H]1C,CHEMBL157660,8.59
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)C[C@H]1C,CHEMBL434075,8.83
+C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)c3ccccc3)c2)C[C@H]1C,CHEMBL349120,8.47
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C(C(=O)O)C1)N(C)C,CHEMBL150508,5.61
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2)N(C)C,CHEMBL356451,8.95
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2,CHEMBL422855,9.12
+CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(NC)C4,CHEMBL134067,9.21
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+C#CCOc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@](OCCCc4ccccc4)(C(NC)C2)[C@@]31CCC,CHEMBL334511,9.14
+CCC[C@@]12c3c(ccc(OC)c3OC)CC(NC)[C@]1(OCCCc1ccccc1)C=CC(=O)[C@H]2C,CHEMBL337272,9.19
+CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)C(NC)C4,CHEMBL133454,9.82
+CCC[C@]12c3c4ccc(O)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(NC)C4,CHEMBL335969,9.7
+Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL168110,8.35
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1,CHEMBL332815,7.25
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL118681,7.88
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1,CHEMBL326379,7.32
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12,CHEMBL120410,7.21
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+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1,CHEMBL120023,8.24
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1,CHEMBL118942,9.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12,CHEMBL339417,9.54
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12,CHEMBL119752,8.39
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL325230,7.33
+CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL331653,7.71
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL331325,9.697
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1,CHEMBL116708,7.58
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL120530,7.63
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL333007,7.67
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1,CHEMBL332309,7.31
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12,CHEMBL325702,8.62
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1,CHEMBL120371,7.47
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1,CHEMBL330984,7.14
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12,CHEMBL332523,6.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1,CHEMBL327036,9.48
+Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1,CHEMBL2375157,7.69
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1,CHEMBL606737,8.14
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1,CHEMBL501451,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1,CHEMBL458631,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO,CHEMBL328135,6.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(N)=O,CHEMBL607402,7.33
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1,CHEMBL109390,9.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2ccccc2[nH]1,CHEMBL607403,8.26
+N[C@@H](Cc1ccccc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1,CHEMBL110214,5.82
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL111485,6.19
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL108808,10.28
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL108426,6.39
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL323216,9.72
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL108640,10.39
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL320545,6.51
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C,CHEMBL109204,8.84
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1,CHEMBL109203,9.28
+N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL109400,6.4
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1,CHEMBL109818,9.42
+N=C(N)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL96609,7.18
+N=C(N)NC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL92917,7.67
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(NC(=N)N)cc4c2C[C@@]3(O)C1C5,CHEMBL96273,6.06
+N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112373,7.48
+CN(C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL93543,7.44
+C[N+](C)(C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL92665,7.89
+N=C(N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL96525,7.39
+N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL2112374,7.18
+Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346165,7.72
+N=C(N)Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL348011,7.59
+Oc1ccc2c3c1O[C@H]1c4ncc(NCc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL149256,7.82
+N#Cc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL150028,7.8
+O=[N+]([O-])c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL358208,7.76
+Oc1ccc2c3c1O[C@H]1c4ncc(CNc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL146907,8.22
+Oc1ccc2c3c1O[C@H]1c4ncc(Br)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL356861,7.81
+CCOC(=O)c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL357680,7.43
+Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL356387,7.89
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL440449,8.69
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL414904,8.68
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL415795,7.7
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216640,8.727
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL438781,9.59
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL439272,8.41
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL405721,8.47
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL262963,7.79
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+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1cccc([N+](=O)[O-])c1,CHEMBL2310839,7.907
+CCC(=O)N1C2CCC1CN(C/C=C/c1ccccc1)C2,CHEMBL303995,7.3
+CCC(=O)N1CC2CCC(C1)N2C/C=C/c1ccccc1,CHEMBL306002,6.8
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+CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2372816,7.37
+NC(=O)[C@@H]1CCC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N1,CHEMBL2372834,5.75
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+NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL2372819,9.0
+CCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O,CHEMBL2372820,7.93
+CC(C)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610543,7.22
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+C#CCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610028,8.8
+N#CCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610030,7.91
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H]1O5,CHEMBL606924,9.6
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CCCO2)CC[C@]314,CHEMBL606876,8.42
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CCc2ccccc2)CC[C@]314,CHEMBL606923,8.72
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL606925,9.7
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCCO2)[C@H]1O5,CHEMBL606986,9.7
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL514774,9.47
+O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5,CHEMBL606987,8.96
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL606985,10.05
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+C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL163334,7.382000000000001
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+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL436039,8.918
+C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL349738,7.062
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL166312,9.215
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+C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL423794,7.132999999999999
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1,CHEMBL555571,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCN(C)CC2)cc1,CHEMBL541349,5.0
+CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(OC)c2)cc1,CHEMBL545335,5.0
+C=CCN1CCC(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL555570,5.0
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1,CHEMBL542267,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1,CHEMBL544638,5.0
+C=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL544641,5.0
+CCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL153183,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1,CHEMBL338980,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL150609,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1,CHEMBL552849,5.0
+CCN(CC)C(=O)c1ccc(C(OCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL150785,5.0
+CCCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL150430,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCCCC2)cc1,CHEMBL127240,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCOCC2)cc1,CHEMBL125626,5.0
+C=CCN1CCN(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL346625,5.0
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL339089,5.03
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+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL436590,6.93
+CC(C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(N)=O)NC1=O,CHEMBL338985,6.02
+CC(C)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](C(C)C)NC1=O,CHEMBL338466,6.05
+Cc1ccccc1/C=C/CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL52451,9.07
+C[C@H]1CN(C/C=C/c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL51838,9.13
+C[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL441049,7.67
+C[C@H]1CN(C2CCCC(O)C2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL60657,5.8
+C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113735,8.76
+C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL61653,7.65
+C[C@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113734,7.25
+C[C@H]1CN(C2CCCC(O)(c3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL444048,6.69
+C[C@H]1CN(C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL61718,5.89
+C[C@H]1CN(C/C=C/c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1,CHEMBL50594,8.95
+C[C@H]1CN(C/C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL64019,7.94
+C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL300662,9.44
+C[C@H]1CN(C2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL293633,6.35
+CCCN1CCN(/C(=N\c2cccc(Cl)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48476,5.02
+COC(=O)c1ccc(/C(=N/c2ccccc2)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL45877,6.63
+CCCN(CCC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(CC)CC2)cc1,CHEMBL48932,5.41
+COC(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL295618,6.71
+CCCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)OC)cc2)CC1,CHEMBL51539,5.68
+C=CCN1CCN(/C(=N\c2ccccc2Cl)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL48983,5.12
+CCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL49463,6.0
+CCCN(CCC)C(=O)c1ccc(/C(=N/c2ccccc2OC)N2CCN(CC)CC2)cc1,CHEMBL48883,5.41
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(CCOC)CC2)cc1,CHEMBL47001,5.53
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL49741,6.4
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL301516,5.92
+C=CCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL298343,6.0
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCCN(CCc3ccccc3)CC2)cc1,CHEMBL49347,6.21
+CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL48852,6.0
+CO[C@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C,CHEMBL101706,4.46
+CO[C@@H](C)CN1CC[C@@]2(C)c3c(O)cccc3C[C@@H]1C2(C)C,CHEMBL318314,7.68
+CO[C@@H](C)CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C,CHEMBL100429,7.74
+CO[C@H](C)CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C,CHEMBL100656,5.47
+CO[C@@H](C)CN1CC[C@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C,CHEMBL431236,5.87
+CO[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL421196,8.46
+CS[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL98817,8.11
+CO[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1C2(C)C,CHEMBL101928,4.85
+CO[C@@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL98699,5.28
+CO[C@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL317819,4.74
+CO[C@H](C)CN1CC[C@@]2(C)c3ccccc3C[C@@H]1C2(C)C,CHEMBL102028,4.37
+CO[C@@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C,CHEMBL100861,4.18
+CO[C@H](C)CN1CC[C@@]2(C)c3c(O)cccc3C[C@@H]1C2(C)C,CHEMBL328825,4.94
+CO[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1C2(C)C,CHEMBL328413,5.22
+CO[C@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1C2(C)C,CHEMBL330661,6.97
+CO[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL100790,6.84
+COC(C)(C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL317683,8.25
+CS[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL97918,6.63
+CO[C@@H](C)CN1CC[C@@]2(C)c3ccccc3C[C@@H]1C2(C)C,CHEMBL100862,6.84
+CS[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL99496,7.01
+CO[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL317505,6.67
+CO[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL99328,9.0
+CS[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL98650,8.49
+CO[C@@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1C2(C)C,CHEMBL329980,8.8
+CC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL312281,8.4
+CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1,CHEMBL312040,9.3
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(C)C)C(=O)NCC(N)=O,CHEMBL2370332,5.7
+C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O,CHEMBL1790778,9.54
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2370329,5.77
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+CC(=O)OC[C@@H]1O[C@H](O[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)C(=O)NCC(N)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1790779,6.2
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+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113662,6.14
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113653,7.64
+CCCO[C@@]12Cc3c(n(CCC)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113645,7.83
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113652,7.52
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2Cc2ccccc2Cl)C[C@@]3(OCc2ccccc2Cl)[C@H]1C5,CHEMBL2113663,5.91
+CCO[C@@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113646,6.73
+C=CCO[C@@]12Cc3c(n(CC=C)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC=C)[C@@H]2C5,CHEMBL2113661,6.0
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CC1)[C@@H]2C5,CHEMBL2113647,6.26
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CCC1)[C@@H]2C5,CHEMBL2113659,6.39
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OC)[C@H]1C5,CHEMBL2113657,6.06
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(CC)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL2113658,7.85
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113656,7.24
+CC(C)CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113655,6.62
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113660,6.97
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113654,5.86
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCCCC1)[C@@H]2C5,CHEMBL2113651,4.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,7.028
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL55498,7.19
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL299029,6.73
+CC1(C)SSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL301702,6.0
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL56394,5.35
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C,CHEMBL56933,6.32
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL55734,7.63
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL298972,6.43
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL57776,7.38
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL268984,5.87
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCCN,CHEMBL322838,5.09
+CCCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL316574,5.46
+CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL275858,5.53
+CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL103462,5.64
+CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL103073,5.48
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCN,CHEMBL100077,4.96
+CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL99955,5.7
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCNC(=N)N,CHEMBL100459,5.55
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCCNC(=N)N,CHEMBL318682,5.58
+CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL318244,5.66
+CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL100226,5.72
+CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL319524,4.97
+CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL103349,5.14
+CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL320451,5.64
+CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL101058,5.17
+CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL97781,5.3
+CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL102013,5.65
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCCN,CHEMBL101072,5.51
+CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL318532,5.6
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCNC(=N)N,CHEMBL319089,5.41
+CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL316615,5.32
+CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL317610,5.38
+CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL406036,5.67
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)OC,CHEMBL320439,5.64
+CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL319101,5.67
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCN,CHEMBL322236,5.37
+CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL405552,5.66
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCNC(=N)N,CHEMBL328843,5.53
+CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL99904,5.13
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCN,CHEMBL316879,4.79
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCNC(=N)N,CHEMBL265055,5.03
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCNC(=N)N,CHEMBL420091,5.21
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCN,CHEMBL330130,4.88
+CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL430477,5.45
+CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL100358,5.62
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCNC(=N)N,CHEMBL431086,5.61
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCN,CHEMBL430859,5.49
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)OC,CHEMBL408096,5.34
+CCCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL317771,5.65
+CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL415704,4.96
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCCNC(=N)N,CHEMBL317661,5.47
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCN,CHEMBL432956,5.47
+O=C(c1ccco1)N(c1cnccn1)C1CCN(CCc2ccccc2)CC1,CHEMBL161084,8.12
+Cc1ccnc(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)c1,CHEMBL347188,8.39
+O=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1,CHEMBL161147,7.67
+O=C(c1ccoc1)N(c1cccc2nsnc12)C1CCN(CCc2ccccc2)CC1,CHEMBL162700,8.58
+O=C(c1ccco1)N(c1cc(Cl)ncn1)C1CCN(CCc2ccccc2)CC1,CHEMBL161023,7.73
+O=C(c1ccco1)N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1,CHEMBL157922,8.11
+O=C(c1ccoc1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1,CHEMBL158856,7.45
+O=C(c1ccco1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1,CHEMBL158857,7.86
+O=C(c1ccco1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1,CHEMBL161082,7.65
+COCC(=O)N(c1cc(Cl)ncn1)C1CCN(CCc2ccccc2)CC1,CHEMBL161280,6.67
+O=C(c1ccco1)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1,CHEMBL345120,8.72
+COCC(=O)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1,CHEMBL161021,7.81
+Cc1cc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL118487,6.81
+Oc1ccc2c3c1O[C@H]1c4nc(Cc5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112578,6.63
+Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL2112575,8.22
+Oc1ccc2c3c1OC1c4nccc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL118479,6.72
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)cc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112568,6.19
+Oc1ccc2c3c1O[C@H]1c4ncnc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112570,6.46
+Oc1ccc2c3c1O[C@H]1c4nc5ccccc5c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112573,6.51
+Cc1nc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL333393,6.6
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112576,7.96
+Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112572,8.38
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112571,7.66
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112577,5.93
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@]1(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL369499,6.14
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL433720,5.5
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@]1(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL433978,6.18
+CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]1(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL426776,5.74
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@]1(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL177647,5.34
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC,CHEMBL175116,5.49
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL3084309,7.84
+C=CCN1C[C@H](C)[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C,CHEMBL607014,6.77
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C/C=C/c3ccccc3)C[C@@H]2C)cc1,CHEMBL175511,5.19
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC3CC3)C[C@H]2C)cc1,CHEMBL172971,5.27
+C=CCN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@H](C)C1,CHEMBL178895,5.8
+C=CCN1C[C@H](C)[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C,CHEMBL607064,5.0
+C=C(C)CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1,CHEMBL434685,5.25
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@H]2C)cc1,CHEMBL607066,5.48
+C/C=C/CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)[C@@H](C)C1,CHEMBL2112954,7.39
+C=CCN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)[C@@H](C)C1,CHEMBL174894,6.9
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC=C(C)C)C[C@@H]2C)cc1,CHEMBL353745,5.42
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@@H]2C)cc1,CHEMBL368835,6.41
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@H]2C)cc1,CHEMBL174533,5.82
+CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC3CC3)C[C@@H]2C)cc1,CHEMBL368861,6.8
+C=C(C)CN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL176806,5.9
+C=CCN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1,CHEMBL176037,5.27
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(CC=C(C)C)C[C@@H]2C)cc1,CHEMBL177610,5.47
+C/C=C/CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1,CHEMBL2112953,5.49
+C=CCN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@H](C)C1,CHEMBL177720,5.31
+C=CCN1C[C@H](C)[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@@H]1C,CHEMBL607015,5.41
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)C1Cc2ccc(O)cc2CN1,CHEMBL51204,8.45
+CCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611699,5.34
+CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611696,5.55
+CCCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611705,5.34
+CC(C)CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611703,5.89
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611695,6.15
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611700,5.89
+CCCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611701,5.55
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL608241,5.59
+N=C(N)Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL610280,6.74
+N=C(N)Nc1ccc2c3c([nH]c2c1)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL610279,7.09
+CC1(C)SCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)N1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL126794,7.42
+CC1(C)OCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)N1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL338113,7.02
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CSCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL126611,8.07
+NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1COCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL339725,8.1
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1COCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL129323,7.23
+CC1(C)OCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL339724,7.33
+NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CSCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL338198,8.19
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2370620,7.45
+CC1(C)SCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL338572,7.3
+CCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL97360,8.37
+CCCCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL319561,9.21
+CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1,CHEMBL607263,6.08
+CCC12CCN(CC3CC3)C(C(=O)c3ccc(O)cc31)C2C,CHEMBL55033,6.16
+C[C@@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1,CHEMBL319528,8.85
+CC(C)CCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL98568,9.195
+CC(C)CCCCN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1,CHEMBL95343,8.87
+C[C@H]1CN(CCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97509,9.19
+C[C@H]1CN(CCC(O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL329957,9.54
+C[C@@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1,CHEMBL97751,8.66
+C[C@H]1CN(CCC2C=CCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317936,7.92
+CC(C)CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL97223,9.54
+C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95647,9.43
+C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317097,9.59
+C[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL431266,9.31
+CC(C)C(O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL94577,8.59
+C[C@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL99410,8.62
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL982,9.54
+C[C@H]1CN(CCC(O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL330389,9.3
+C=C(C)CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL96022,9.77
+C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL320218,9.16
+CCCCCCN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1,CHEMBL97731,8.25
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+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL607482,9.74
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2cccc3ccccc23)[C@H]1C5,CHEMBL607407,9.74
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2c(Cl)cccc2Cl)[C@H]1C5,CHEMBL607483,7.99
+CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL607406,9.8
+C[C@@H](NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL2371865,5.79
+C[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL2371866,6.6
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2cc(O)ccc2CN1,CHEMBL370392,6.67
+C[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371867,7.24
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL365582,6.01
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL192484,8.82
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL373335,6.33
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL364703,8.38
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL365984,5.79
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1,CHEMBL192372,9.46
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13,CHEMBL611393,7.18
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607067,5.97
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607118,5.99
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@H]1CC1c2ccccc2NC1C3,CHEMBL179679,5.55
+CCN1CC[C@]23CC4Nc5ccccc5C4C[C@H]2C1Cc1ccc(OC)c(O)c13,CHEMBL359917,5.87
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@@H]1CC1c2ccccc2NC1C3,CHEMBL178829,4.88
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606740,6.15
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606673,5.89
+CCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL607484,5.55
+CCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606738,5.34
+CCCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606608,5.34
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606676,5.59
+CC(C)CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606607,5.89
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606798,5.92
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606675,5.1
+CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606606,5.55
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610618,5.82
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610617,5.84
+O=C(Oc1cccc2[nH]c3c(c12)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611397,6.44
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610878,6.78
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611399,6.53
+O=C(Oc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611132,7.09
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611133,5.89
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611396,6.63
+O=C(Oc1ccc2c3c([nH]c2c1)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610616,6.17
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(-c6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611131,6.91
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611398,7.47
+O=C(Oc1cccc2c3c([nH]c12)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610620,6.8
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610880,7.12
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5,CHEMBL606741,6.15
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606795,6.62
+CCCCC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606674,5.96
+COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]1(O)CC1c2ccccc2NC1C3,CHEMBL363631,5.55
+CCN1CC[C@]23CC4Nc5ccccc5C4C[C@@]2(O)C1Cc1ccc(OC)c(O)c13,CHEMBL193877,6.1
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC1c2ccccc2NC1C3,CHEMBL370897,5.73
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195784,8.82
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL370544,7.96
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL192443,7.87
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195684,7.29
+Oc1ccc2c3c1O[C@H]1c4nccc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL194021,6.72
+Cc1cc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL364055,6.81
+Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195770,8.38
+Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL363601,8.22
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL363348,7.66
+Cc1nc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL371565,6.6
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(CCc4ccccc42)C[C@@]3(O)C1C5,CHEMBL192133,5.7
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccccc2)C[C@@]3(O)C1C5,CHEMBL194938,5.35
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,6.85
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,5.89
+C=CCN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL364937,6.33
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)C1C5,CHEMBL427546,7.59
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL194033,6.64
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)C1C5,CHEMBL193586,6.71
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3C1C5,CHEMBL195756,7.62
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3C1C5,CHEMBL265033,6.83
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3C1C5,CHEMBL425728,6.7
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)cc2C[C@H]3C1C5,CHEMBL195879,7.03
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3C1C5,CHEMBL363777,7.01
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4C(C2)N(CC2CC2)CCC314,CHEMBL364247,7.21
+C=CCN1CCC23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(OCC)C1C5,CHEMBL195082,6.18
+CCCCOc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL611144,7.86
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OC/C=C/c2ccccc2)c13,CHEMBL195411,7.55
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCCCc2ccccc2)c13,CHEMBL370759,7.36
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCc2ccccc2)c13,CHEMBL372439,7.94
+CCCCCCOc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL194825,7.35
+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc(O)c4C2(CCN3CC2CC2)C1,CHEMBL370966,9.4
+COc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3,CHEMBL370735,9.47
+CCCCOc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3,CHEMBL190978,7.83
+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5,CHEMBL371845,9.08
+CC1CN(CCCc2ccccc2)C2CC(N)CC1(c1cccc(O)c1)C2,CHEMBL195477,8.48
+CC1CN(CCCc2ccccc2)C2CC(NC(=O)CCCN(C)C)CC1(c1cccc(O)c1)C2,CHEMBL195562,7.24
+CC(=N)NCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL425735,8.28
+CC1CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL195316,8.6
+CC(=N)NCCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL195040,7.06
+CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606739,5.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(=O)O,CHEMBL354966,8.16
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C,CHEMBL422547,9.08
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1,CHEMBL436063,8.99
+C=CCn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc21,CHEMBL354392,9.36
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1,CHEMBL173884,9.28
+CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc21,CHEMBL197183,8.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O,CHEMBL322300,9.31
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1[nH]c(=O)c(CNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL200890,8.42
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL198800,8.55
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL381874,8.51
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL373668,8.76
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL198646,8.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O,CHEMBL370398,8.64
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,CHEMBL196774,8.86
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL370197,8.24
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL197185,8.75
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL373192,8.31
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)N(C)C,CHEMBL370399,8.66
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2c(C)cc(O)cc2C)N(C)C)nc1C)N(C)C,CHEMBL261905,8.77
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL372130,9.42
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1,CHEMBL198909,8.72
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1,CHEMBL380590,8.55
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O,CHEMBL413644,7.51
+CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL412331,9.04
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CHEMBL408889,8.28
+CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL374325,7.7
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CHEMBL442483,7.59
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O,CHEMBL405192,7.62
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL375412,9.29
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+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL205049,9.89
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL427214,8.85
+NC(=O)c1ccc(C[C@H](N)C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1,CHEMBL204996,8.92
+NC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1,CHEMBL205388,7.64
+N[C@@H](Cc1ccc(C(=O)O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL207743,5.24
+N[C@@H](Cc1ccc(S(N)(=O)=O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL206660,6.23
+CC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1,CHEMBL207976,6.38
+N[C@@H](Cc1ccc(CO)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL206888,6.04
+CS(=O)(=O)Nc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1,CHEMBL205273,6.45
+Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccc(C#N)cc2)nc1-c1ccccc1,CHEMBL205329,5.87
+N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL205281,5.28
+CC(=O)Nc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)cc1,CHEMBL205533,6.68
+Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccc(N)cc2)nc1-c1ccccc1,CHEMBL208400,6.07
+COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)cc1,CHEMBL440221,6.75
+Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccc(F)cc2)nc1-c1ccccc1,CHEMBL381793,4.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL377069,10.3
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c(C)[nH]1,CHEMBL208461,9.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL208454,9.52
+N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL208164,7.74
+Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccccc2)nc1-c1ccccc1,CHEMBL381728,5.74
+N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL383456,6.35
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL383197,8.42
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,CHEMBL407057,5.28
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL205306,6.57
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL383458,6.23
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL379405,6.52
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408083,5.92
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL206974,7.66
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218327,8.23
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL208479,7.59
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL262172,8.11
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL382051,7.47
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL336381,6.62
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL205965,5.59
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408330,7.6
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL382349,7.41
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218763,7.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCC(=O)NC(CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O)C(N)=O,CHEMBL426320,7.38
+CN(C)c1ccc2cc3c(cc2c1)C(=O)N(CC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C3=O,CHEMBL207661,5.47
+CN(C)c1ccc2cc3c(cc2c1)C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)C3=O,CHEMBL411335,6.61
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCNC(=S)/N=C1/C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1,CHEMBL219407,6.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)C1NC(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CN2C(=O)c3cc4ccc(N(C)C)cc4cc3C2=O)C(N)=O)Cc2ccccc21,CHEMBL208916,5.1
+NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL208990,6.67
+NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL378111,7.57
+NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL211147,7.13
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL210247,5.87
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL211119,6.57
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL378466,7.55
+NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,CHEMBL425421,5.98
+NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL380286,6.23
+Cc1cc(O)cc(C)c1CCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CNC1=O,CHEMBL386043,8.32
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(C(N)=O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL412997,7.35
+Cc1cc(C(N)=O)cc(C)c1CCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CNC1=O,CHEMBL373489,8.55
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL2028967,8.36
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)O,CHEMBL2371927,6.28
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)c1nc2ccccc2[nH]1,CHEMBL3143821,9.8
+CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1,CHEMBL3143820,9.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1,CHEMBL3143819,9.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1,CHEMBL3143818,9.43
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1,CHEMBL2028972,9.03
+CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1,CHEMBL2028971,9.2
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL2028970,8.83
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCc1ccccc1,CHEMBL2028969,8.39
+CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1,CHEMBL2028968,8.26
+O=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL216239,5.27
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL214022,9.03
+CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL216492,5.57
+CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL414087,7.51
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL375359,8.52
+CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL386186,7.47
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+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL200199,8.824
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+CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCc2ccc(OC)c(Cl)c2)CC1,CHEMBL230311,5.42
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+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL572543,5.64
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,CHEMBL572525,9.33
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+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583275,9.33
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL572524,9.14
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583274,9.48
+NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583067,10.1
+NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL583066,10.8
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL595972,9.3
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL592969,6.8
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL611926,7.1
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL1076736,7.99
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN(CC(=O)NCCNC(=O)CN2Cc3[nH]c4ccccc4c3C[C@@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O,CHEMBL1076738,6.86
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC/C=C/CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL1076724,8.82
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+CCC(=O)N(Cc1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089542,9.35
+CCC(=O)/C(=C\c1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089543,6.52
+CCC(=O)/C(=C/c1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089873,6.65
+CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089546,7.02
+NC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1084185,6.7
+NC(=O)/C(=C/c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1084186,8.08
+NC(=O)/C(=C/c1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1084187,6.89
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2372623,7.33
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172249,7.74
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O,CHEMBL1172248,8.23
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O,CHEMBL1172247,8.07
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O,CHEMBL1172246,5.68
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172245,8.13
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172244,5.91
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172252,9.16
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172429,6.6
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172253,9.89
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172251,7.85
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172428,8.31
+N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)O)c1nc2ccccc2[nH]1,CHEMBL1213938,6.65
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)O)c1nc2ccccc2[nH]1,CHEMBL1213939,6.17
+N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1,CHEMBL1213987,7.26
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1,CHEMBL1213988,7.17
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C,CHEMBL1213989,8.77
+CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL1213990,6.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)O,CHEMBL1213991,8.39
+N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)O,CHEMBL1213992,5.99
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)O,CHEMBL1214048,5.78
+Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C,CHEMBL1214049,5.61
+CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL1214050,6.24
+CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL1212952,5.91
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+CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O,CHEMBL1214118,6.22
+CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O,CHEMBL1214119,5.84
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214027,6.0
+CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL1214026,5.7
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1214025,5.68
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1214024,5.64
+CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,CHEMBL1214076,5.55
+C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(OC)c13,CHEMBL1253927,8.18
+CCO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1cccc(O)c13,CHEMBL1253928,7.69
+COc1cccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL606644,8.94
+C=CCN1CC[C@]23CC(=O)CC[C@@]2(OC)[C@H]1Cc1cccc(OC)c13,CHEMBL610893,8.7
+CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL1255022,10.0
+COC1CCC2C(Cc3cccc(O)c3)=NCCC2C1,CHEMBL1253727,5.63
+C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254685,9.08
+C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254768,7.25
+C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254769,7.19
+CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1,CHEMBL1254857,6.87
+C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254858,6.98
+C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254940,6.97
+C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254941,6.43
+C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1255025,6.14
+C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1255026,5.53
+C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1253767,5.86
+CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1,CHEMBL1253768,5.95
+NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1255058,7.52
+NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1254974,5.21
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL1253637,7.2
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+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1253635,6.29
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1253634,7.0
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1253633,6.53
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1253632,7.405
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649938,9.41
+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649939,9.44
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+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649941,10.0
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+CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1,CHEMBL1649944,8.3
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+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649946,11.0
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649947,9.46
+CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1,CHEMBL1649948,9.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL1672083,9.7
+CO[C@@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL1672084,9.05
+CO[C@@]12CC[C@@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL1672085,9.08
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NCC(=O)OC(C)(C)C)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL1672086,8.85
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+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NCC(=O)O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL3216475,9.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NCC(=O)O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5,CHEMBL3216716,9.8
+CC(C)(C)OC(=O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1672090,8.86
+CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1672091,9.0
+O=C(O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3216476,9.57
+O=C(O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3216936,9.7
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)cc(C)c1O,CHEMBL1689552,9.89
+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1689551,8.55
+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1689550,8.82
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O,CHEMBL1689549,8.01
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O,CHEMBL1689548,9.33
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL1689547,7.47
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL1689546,9.09
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)cc(C)c1O,CHEMBL1689545,7.95
+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1689544,6.84
+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL1689543,8.49
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O,CHEMBL1689542,8.39
+Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O,CHEMBL1689541,9.03
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL1689540,7.46
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL1689539,8.38
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766204,8.92
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766205,8.74
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1,CHEMBL1766206,9.13
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1,CHEMBL1766207,9.47
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1766208,8.7
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O,CHEMBL1782141,9.38
+Cc1ccc(Cl)cc1N1CCN(CCn2[nH]c(=O)c3c(C)n(-c4ccccc4)c(C)c3c2=O)CC1,CHEMBL1829950,5.59
+Cc1c2c(=O)[nH]n(CCN3CCN(c4ccccc4F)CC3)c(=O)c2c(C)n1-c1ccccc1,CHEMBL1829947,4.95
+COc1cccc(C2(O)CCCCC2CN(C)C)c1,CHEMBL1237044,5.62
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H]1C(=O)N(CC(N)=O)Cc2ccccc2[C@@H]1C,CHEMBL1834218,10.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1C(=O)N(CC(N)=O)Cc2ccccc2[C@H]1C,CHEMBL1834219,9.4
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H]1C(=O)N(CC(N)=O)Cc2ccccc2[C@H]1C,CHEMBL1834220,7.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1C(=O)N(CC(N)=O)Cc2ccccc2[C@@H]1C,CHEMBL1834244,10.6
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL1834246,9.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL1834247,10.33
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL1834248,9.48
+O=C(CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1835843,6.89
+O=C(CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1835844,6.92
+O=C(COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1835845,6.4
+NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL1927270,9.46
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13,CHEMBL1929362,6.49
+Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1929363,7.89
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13,CHEMBL1929364,7.29
+Oc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929365,6.83
+COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3cc(Br)oc3Br)C[C@]21C,CHEMBL1941034,6.5
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2048250,6.51
+N[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1,CHEMBL2048249,5.7
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2,CHEMBL2048248,6.18
+CCCCN(CCCC)CCOC/C=C/c1ccccc1,CHEMBL2048965,5.6
+CCCCN(CCCC)CCOCCCc1ccccc1,CHEMBL2048966,5.6
+CN(CCOC/C=C/c1ccccc1)Cc1ccccc1,CHEMBL2048967,5.52
+CN(CCOCCCc1ccccc1)Cc1ccccc1,CHEMBL2048968,5.56
+CN(CCOC/C=C/c1ccccc1)CCc1ccccc1,CHEMBL2048969,5.77
+CN(CCOCCCc1ccccc1)CCc1ccccc1,CHEMBL2048970,5.64
+CN(CCCc1ccccc1)CCOC/C=C/c1ccccc1,CHEMBL2048971,5.19
+CN(CCCc1ccccc1)CCOCCCc1ccccc1,CHEMBL2048972,5.82
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159117,10.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159118,10.52
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1nc(-c2ccccc2)c[nH]1)C(C)C,CHEMBL2159115,10.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159116,10.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1,CHEMBL2159114,9.52
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159119,9.52
+Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(Cc1cccc(C(=O)O)c1)[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159120,9.0
+COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O,CHEMBL2159122,9.05
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159113,7.89
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159111,7.77
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1nc(-c2ccccc2)c[nH]1)C(C)C,CHEMBL2159112,6.92
+C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(-c2ccccc2)c[nH]1,CHEMBL2159015,5.9
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2178086,5.64
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2178088,5.67
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2178090,7.36
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2178087,8.59
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2178089,8.89
+CCCC[C@@H](C(N)=O)N1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O,CHEMBL2181191,9.03
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O,CHEMBL2181192,8.58
+CCCC[C@@H](C(N)=O)N1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O,CHEMBL2181193,9.37
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O,CHEMBL2181194,9.21
+CCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL2181195,8.53
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCCN)C(N)=O,CHEMBL2181196,9.03
+CCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL2181197,9.59
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCCN)C(N)=O,CHEMBL2181198,9.59
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O,CHEMBL2181199,9.1
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2181200,9.24
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O,CHEMBL2181201,9.64
+N[C@@H](Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2206323,5.44
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2206330,6.6
+N[C@@H](Cc1ccc(C(=O)NCCc2cccc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2206329,6.07
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(C3CCCCC3)cc2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2206328,7.32
+CCCCCCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2206326,6.76
+CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2206325,6.29
+NC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2370152,5.66
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL502411,6.59
+O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,CHEMBL506616,6.21
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322567,8.1
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322566,8.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CCc3ccccc3)cc21,CHEMBL2322565,7.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322564,8.59
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc21,CHEMBL2322563,9.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21,CHEMBL2322562,10.11
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc21,CHEMBL2322561,9.12
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc21,CHEMBL2322560,9.62
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21,CHEMBL2322568,9.66
+C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1,CHEMBL2323574,7.21
+C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2323575,7.24
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2323576,6.76
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1,CHEMBL2323577,8.96
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338714,9.74
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338729,10.54
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338728,10.52
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338727,9.64
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338726,9.57
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338725,9.39
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338724,9.31
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338723,9.44
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338722,9.0
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338721,9.92
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338720,9.17
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338719,9.06
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338718,10.54
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338717,10.42
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338716,10.22
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338742,10.37
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338741,9.82
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338740,9.51
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338739,10.51
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338738,10.27
+CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338737,9.48
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338734,9.33
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338733,9.43
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338732,9.74
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338731,9.68
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338730,9.72
+CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338756,10.04
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL511142,9.833
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338753,9.49
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338752,9.82
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338751,9.0
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338750,9.47
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338749,9.68
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338748,9.21
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338747,9.54
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL3104106,8.85
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc21,CHEMBL3104105,7.54
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O,CHEMBL3233191,9.55
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+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL3326770,4.41
+CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C,CHEMBL3326769,7.22
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+CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C,CHEMBL3326767,6.37
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+CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)CC1,CHEMBL3326664,5.94
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+CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1CCN(C)[C@@H](Cc2ccc(O)cc2)C1,CHEMBL3326661,5.58
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+CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1,CHEMBL3326659,5.82
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+CCC(=O)N(c1ccccc1)[C@]1(C(=O)OC)CC[C@@H](CCc2ccccc2)CC1,CHEMBL3325854,7.02
+O=CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL1091995,6.38
+CC1(C)CC(=O)c2c(C3CC3)nn(-c3ccc(Cl)cc3Cl)c2C1,CHEMBL3325719,5.89
+Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c(Br)c1,CHEMBL3325716,6.13
+Cc1nn(-c2ccc(Cl)cc2Br)c2c1C(=O)CC(C)(C)C2,CHEMBL3325715,6.21
+Cc1nn(-c2ccc(Br)cc2Br)c2c1C(=O)CC(C)(C)C2,CHEMBL3325714,6.33
+Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c(C)c1,CHEMBL3325707,5.41
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+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3408735,9.21
+Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1,CHEMBL3408736,10.0
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+NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409740,7.6
+NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409741,8.0
+NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409742,6.75
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+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409749,8.05
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409750,6.3
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409751,6.69
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409752,5.68
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+NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409754,6.68
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409755,7.89
+N=C(N)NCCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL3409756,7.07
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+NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409746,6.49
+NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409747,6.35
+NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL3409748,7.64
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+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cccnc12,CHEMBL3798175,5.47
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+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12,CHEMBL3797228,7.42
+CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21,CHEMBL3822956,9.92
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diff --git a/chembl_200/CHEMBL273.csv b/chembl_200/CHEMBL273.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9fe360ab451c689bbc560d2c90fe7d74217053ed
--- /dev/null
+++ b/chembl_200/CHEMBL273.csv
@@ -0,0 +1,3072 @@
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+CCCN(CCC)C1CCc2cccc(C(=O)c3ccccc3)c2C1,CHEMBL134651,8.55
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+CCCN(CCC)C1CCc2ccccc2C1,CHEMBL284820,7.34
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+CCCN(CCC)C1CCc2cccc(C)c2C1,CHEMBL27034,7.295
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+CCCN(CCC)[C@H]1CCc2cccc(OC)c2C1,CHEMBL315684,8.55
+CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2C1,CHEMBL424274,7.8
+CCCN(CCC)[C@H]1CCc2cccc(C)c2C1,CHEMBL88297,7.21
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+CCCN(CCC)[C@@H]1CCc2ccccc2C1,CHEMBL88157,7.77
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+CCCN(CCC)C1CCc2cccc(C(N)=O)c2C1,CHEMBL27313,8.22
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+COc1ccc(OC)c2c1C[C@@H]1c3c(cccc3-2)CCN1C,CHEMBL300329,8.07
+CCCN1CCc2cccc3c2[C@H]1Cc1c(OC)ccc(OC)c1-3,CHEMBL61377,6.62
+COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL26948,8.3
+O=C1c2ccccc2C(=O)N1CCCNCCCOc1cccc2ccccc12,CHEMBL57214,7.35
+CN(C)CCc1ccccc1,CHEMBL46278,6.07
+O=C1c2ccccc2C(=O)N1CCNCCCOc1cccc2ccccc12,CHEMBL57893,5.88
+O=C1c2ccccc2C(=O)N1CCCCNCCCc1ccccc1,CHEMBL299255,7.19
+O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL27310,6.7
+O=C1c2ccccc2C(=O)N1CCCCNCCCOc1cccc2ccccc12,CHEMBL56148,7.6
+O=C1c2ccccc2C(=O)N1CCCCNCCc1ccccc1,CHEMBL294238,6.62
+COc1ccc2[nH]cc(CCNCCCCN3C(=O)c4ccccc4C3=O)c2c1,CHEMBL58626,7.7
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL440466,8.017999999999999
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+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL292204,8.07
+CN(CCCCN1C(=O)c2ccccc2C1=O)CCc1ccccc1,CHEMBL61095,6.52
+COc1ccccc1CCCNCCCCN1C(=O)c2ccccc2C1=O,CHEMBL57688,6.96
+COc1ccc2cccc(N3CCNCC3)c2c1,CHEMBL300824,8.48
+COc1cccc2c1CC(NCCCN1C(=O)c3ccccc3C1=O)CC2,CHEMBL291929,7.32
+COc1ccccc1CCCN(C)C,CHEMBL27279,5.49
+COc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O,CHEMBL60870,6.77
+COc1ccc2ccccc2c1N1CCNCC1,CHEMBL287210,7.47
+COc1cccc2c1CC(NCCN1C(=O)c3ccccc3C1=O)CC2,CHEMBL286986,6.6
+COc1cccc2c1[C@@H]1CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)C[C@@H]1C2,CHEMBL2079545,7.26
+CCCN1CC[C@H]2c3c(cccc3OC)C[C@H]2C1,CHEMBL2079597,5.85
+COc1cccc2c1C1CCN(CCNC(=O)c3ccc(F)cc3)CC1C2,CHEMBL13904,9.23
+COc1cccc2c1C1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)CC1C2,CHEMBL275773,9.05
+COc1cccc2c1C1CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC1C2,CHEMBL14010,8.7
+COc1cccc2c1C1CCN(CCCCN3C(=O)C4C5C=CC(C6C=CC65)C4C3=O)CC1C2,CHEMBL1743629,8.44
+COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)CC4(CCCC4)CC3=O)C[C@H]1C2,CHEMBL2079596,7.29
+CCCN1CC[C@H]2c3c(cccc3OC)C[C@@H]2C1,CHEMBL2079544,7.12
+COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)CC4(CCCC4)CC3=O)C[C@@H]1C2,CHEMBL2079546,6.16
+COc1cccc2c1[C@@H]1CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)C[C@H]1C2,CHEMBL2079598,8.78
+COc1ccc2onc(N3CCN(CCCCCC(=O)c4ccccc4O)CC3)c2c1,CHEMBL157840,6.41
+COc1cccc(C(=O)CCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL160286,8.47
+COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1,CHEMBL347837,8.15
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1,CHEMBL158850,8.19
+O=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O,CHEMBL347629,6.86
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,6.72
+COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1,CHEMBL157081,8.39
+COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1,CHEMBL160194,7.7
+COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26677,9.11
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,6.76
+O=C(CCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160706,5.97
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1,CHEMBL155861,7.85
+O=C(CCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL422008,6.04
+COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1,CHEMBL160906,8.43
+COc1cccc(C(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26135,8.47
+O=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O,CHEMBL156385,7.25
+COc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1,CHEMBL158770,7.62
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2O)CC1,CHEMBL156089,8.24
+O=C(CCCCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1O,CHEMBL158592,5.84
+O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O,CHEMBL157362,6.55
+CCCN(CCC)CCCCC1CCCc2ccccc21,CHEMBL135528,6.7
+c1ccc(CC2CCN(CCCCC3CCCc4ccccc43)CC2)cc1,CHEMBL336378,6.55
+COc1cccc2c1CCCC2CCCN1CCCC(C)(C)C1,CHEMBL127006,6.05
+CCCN(CCC)CCCC1CCCc2ccccc21,CHEMBL135930,6.4
+c1ccc2c(c1)CCN(CCCCC1CCCc3ccccc31)C2,CHEMBL337709,7.18
+CCCN(CCC)CCCCC1=CCCc2ccccc21,CHEMBL135530,6.45
+CN1CCN(c2nc3ccccc3c3c2CCc2sccc2-3)CC1,CHEMBL288069,4.92
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC(=O)c2ccccc2)CC1,CHEMBL43304,5.39
+CN1CCN(c2cc3c4c(cccc4n2)-c2ccccc2-3)CC1,CHEMBL43512,4.62
+CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL283528,7.47
+O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1,CHEMBL82652,6.72
+COc1ccc(SC)cc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1,CHEMBL356945,7.62
+CSc1cccc(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1,CHEMBL356304,8.37
+O=C(NC[C@@H]1CCCN1CCc1ccccc1)c1ccccc1,CHEMBL147279,8.34
+CN1CCOc2c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL281363,8.0
+CN1CCOc2c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL279937,7.46
+O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1,CHEMBL82884,9.31
+CSc1cccc(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1,CHEMBL148249,6.96
+COc1cc2c(c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)c1)OCC2,CHEMBL148352,7.68
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL279729,6.37
+CSc1cc2c(c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c1)OCC2,CHEMBL149723,7.0
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL445055,8.25
+O=C1C2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL430914,7.98
+O=C1C2CCCN2C(=O)N1CN1CCN(c2cccc3[nH]cnc23)CC1,CHEMBL33258,8.39
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL285066,8.28
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL34287,8.03
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3c2COCCO3)CC1,CHEMBL2113340,7.91
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COCCO3)CC1,CHEMBL2113339,8.21
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL33150,8.62
+CCCN(CCC)C1Cc2cccc(O)c2C1,CHEMBL85362,7.71
+CCCN(CCC)C1Cc2cccc(OC)c2C1,CHEMBL421936,8.29
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86931,5.59
+NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL315468,4.74
+COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL357448,7.7
+COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc34)CC2)c1,CHEMBL152587,7.9
+COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152159,8.12
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL152756,9.37
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,CHEMBL152304,7.05
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152391,6.91
+COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cn3)CC2)c1,CHEMBL345111,6.36
+COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL345848,9.22
+COc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1,CHEMBL156845,6.36
+COc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL347290,7.1
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL2112911,6.9
+COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL315879,6.4
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152869,8.35
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1,CHEMBL157388,7.46
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]nc2ccccc12,CHEMBL152010,6.21
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL157322,7.57
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL154508,6.47
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1,CHEMBL157222,7.23
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,6.24
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1,CHEMBL433741,6.57
+COc1cccc(C(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL423040,5.11
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12,CHEMBL152262,5.95
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL2112910,5.26
+COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152576,6.93
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.74
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL156599,7.54
+COc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1,CHEMBL154050,6.5
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL346692,5.78
+COc1cccc(C(=O)NCCN2CCN(c3cc(C)ccn3)CC2)c1,CHEMBL2112905,7.23
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1,CHEMBL27393,7.96
+O=C(NC1CCCCC1)C1Cc2c(sc3ccccc23)CN1,CHEMBL107643,6.55
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,6.22
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,8.355
+COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1,CHEMBL72657,6.05
+COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,CHEMBL76168,8.92
+COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1,CHEMBL286565,5.9
+COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1,CHEMBL279841,8.19
+O=C1c2ccccc2C(=O)N1CCN1CCc2ccccc2C1,CHEMBL14149,4.38
+O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL273241,6.65
+O=C1CCC(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL14308,5.53
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL14161,8.3
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCc2ccccc2C1,CHEMBL14209,5.88
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL282902,8.36
+O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL410826,9.15
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL26587,9.0
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL27996,8.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1,CHEMBL287186,8.2
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1,CHEMBL27254,8.4
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1,CHEMBL26189,8.4
+CC(=O)Nc1ccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1,CHEMBL316090,6.67
+COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,CHEMBL21008,9.0
+COc1ccccc1N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL26533,9.4
+CCCCC(=O)NCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL27098,8.12
+COc1ccc(OC)c(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1,CHEMBL26306,7.66
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,CHEMBL26188,8.7
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,CHEMBL24515,8.44
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL26030,6.0
+COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1,CHEMBL26539,7.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(O)cc2)CC1,CHEMBL27377,8.27
+COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1,CHEMBL118661,9.38
+CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1,CHEMBL117996,8.61
+CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1,CHEMBL300093,8.845
+CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1,CHEMBL264731,8.99
+CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1,CHEMBL118704,9.46
+CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1,CHEMBL47792,9.075
+COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1,CHEMBL116323,7.95
+CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1,CHEMBL118770,8.94
+CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1,CHEMBL331049,7.3
+COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1,CHEMBL119680,9.4
+CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1,CHEMBL118910,8.82
+COc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1,CHEMBL110495,6.82
+O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(c4cccc5nc[nH]c45)CC3)[nH]c12,CHEMBL105926,6.83
+CCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1,CHEMBL110549,7.25
+O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(c4ccc5c(c4)OCO5)CC3)[nH]c12,CHEMBL320346,6.33
+CC(C)Oc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1,CHEMBL108026,7.46
+CCCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1,CHEMBL110877,7.34
+CCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1,CHEMBL110216,7.74
+CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL101008,8.37
+NCCc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL101189,9.1
+COc1cc(CC(C)N)c(OC)cc1Br,CHEMBL6607,8.21
+CC(N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL99846,7.54
+NCCc1c2c(cc3c1OCC3)OCC2,CHEMBL100626,8.28
+CCCN(CCC)[C@@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL131776,7.73
+CCCN(CCC)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL554241,6.31
+CCCN(CCC)[C@H]1CCc2c(F)cccc2C1,CHEMBL544362,6.6
+CCCN(CCC)[C@@H]1CCc2c(F)ccc(C(C)=O)c2C1,CHEMBL545069,8.16
+CCCN(CCC)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1,CHEMBL542475,7.87
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(O)c2C1,CHEMBL541333,7.74
+CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3ccco3)c2C1,CHEMBL130206,7.52
+CCCN(CCC)[C@H]1CCc2cccc(-c3ccco3)c2C1,CHEMBL131449,8.74
+CCCN(CCC)[C@H]1CCc2cccc(S(=O)(=O)C(F)(F)F)c2C1,CHEMBL131501,8.02
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL555098,9.05
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1,CHEMBL538787,8.96
+CCCN(CCC)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1,CHEMBL130552,7.05
+CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1,CHEMBL542952,7.49
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL552643,6.75
+CCCN(CCC)[C@@H]1CCc2cccc(-c3ccco3)c2C1,CHEMBL337049,8.03
+CCCN(CCC)[C@@H]1CCc2c(F)ccc(-c3cccs3)c2C1,CHEMBL542727,7.46
+CCCN(CCC)[C@H]1CCc2cccc(-c3cccs3)c2C1,CHEMBL441088,8.26
+CCCN(CCC)[C@@H]1CCc2cccc(S(=O)(=O)C(F)(F)F)c2C1,CHEMBL131547,8.42
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(-c3ccco3)c2C1,CHEMBL545533,8.12
+CCCN(CCC)[C@@H]1CCc2cccc(-c3cccs3)c2C1,CHEMBL130922,8.08
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OC)c2C1,CHEMBL544838,8.31
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1,CHEMBL540064,7.86
+COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12,CHEMBL139505,9.42
+COc1cccc2c1CCC/C2=C\CCNCCOc1ccccn1,CHEMBL136563,9.15
+COc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL140287,6.27
+COc1cccc(C2=CCC(N3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL139848,6.59
+COc1cccc(CCCCNCCOc2ccccn2)c1,CHEMBL139146,7.41
+COc1cccc(C2=CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL138892,8.15
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,9.72
+COc1cccc2c1CCCC2CCCNCCOc1ccccn1,CHEMBL344432,9.27
+COc1cccc(C2=CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1,CHEMBL138289,7.82
+COc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1,CHEMBL344146,7.64
+COc1ccc2c(c1)CCC(CNCCOc1ccccn1)C2,CHEMBL138899,7.23
+COc1ccc2c(c1)CCC(CN1CCN(c3ccccn3)CC1)C2,CHEMBL138900,6.17
+COc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2,CHEMBL423181,9.8
+COc1ccc(CCNCCOc2cc(F)cc3c2OCCC3O)cc1,CHEMBL96517,8.63
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c2ccccc12,CHEMBL317532,6.17
+COc1ccccc1CCCCNCCOc1cc(F)cc2c1OCCC2=O,CHEMBL96901,7.62
+CCCN(CCCCc1ccc2c(c1)OCO2)CCOc1cc(F)cc2c1OCCC2=O,CHEMBL316593,7.16
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC/C3=N/O)cc1,CHEMBL96858,7.56
+COc1ccc(CCCCN(C)CCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL95135,7.28
+COc1ccc(CCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96435,8.39
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3OC)cc1,CHEMBL318418,7.74
+O=C1CCOc2c(OCCNCCCCc3ccccc3)cc(F)cc21,CHEMBL330714,7.38
+O=C1CCOc2c(OCCNCCCCc3ccc(O)cc3)cc(F)cc21,CHEMBL319575,7.25
+COc1ccc(CCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96578,9.73
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCO4)cc(F)cc21,CHEMBL94317,8.57
+CCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL329675,7.74
+COc1cccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c1,CHEMBL94428,7.36
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c(C)c1C,CHEMBL94303,7.11
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3)cc1,CHEMBL25213,9.66
+COc1ccc(CCCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96546,8.05
+CSc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96266,7.74
+CN(C)c1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL94957,7.55
+O=C1CCOc2c(OCCNCCCCc3ccc([N+](=O)[O-])cc3)cc(F)cc21,CHEMBL313420,7.71
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)CCO4)cc(F)cc21,CHEMBL318417,8.38
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96222,9.57
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC=C3)cc1,CHEMBL419147,9.8
+N#Cc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96903,7.96
+CCCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL92668,7.31
+O=C1CCOc2c(OCCNCCCCc3ccc(Cl)cc3)cc(F)cc21,CHEMBL96265,7.72
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL93030,8.51
+COc1ccc(CCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL92651,8.02
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCCO4)cc(F)cc21,CHEMBL93503,8.59
+COc1ccc(CCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL95044,8.13
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)(C)CC3)cc1,CHEMBL96279,9.36
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL104578,8.31
+c1cc(N2CCNCC2)c2occc2c1,CHEMBL61032,7.89
+COc1ccccc1N1CCN(CCNC(=O)c2cccs2)CC1,CHEMBL419910,8.8
+COc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1,CHEMBL26447,6.697
+COc1ccccc1N1CCN(CCNC(=N)C2CCCCC2)CC1,CHEMBL107903,8.325
+COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1,CHEMBL108229,9.1
+COc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1,CHEMBL104204,7.72
+COc1ccccc1N1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL105747,8.485
+COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,CHEMBL58377,9.0
+COc1ccccc1N1CCN(CCNC(C)=O)CC1,CHEMBL104591,6.1
+COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1,CHEMBL104515,8.6
+COc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1,CHEMBL104805,8.72
+O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1,CHEMBL81728,9.523
+COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1,CHEMBL278799,7.763
+O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1,CHEMBL1742477,8.77
+COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL105345,8.98
+O=C(NCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1,CHEMBL294633,9.82
+COc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1,CHEMBL323982,7.68
+COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL58792,9.0
+COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1,CHEMBL107141,9.495
+CC1CN(c2cccc3c2OCCO3)CC(C)N1CCNC(=O)c1ccc(F)cc1,CHEMBL316960,9.0
+OC[C@@H]1COc2c(cccc2N2CCNCC2)O1,CHEMBL106413,7.23
+COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1,CHEMBL107336,7.81
+COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1,CHEMBL106854,8.895
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL301707,7.3
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL55528,6.51
+COc1ccccc1N1CCN(CCn2c(=O)c3c(c4ccccc4n3C)n(C)c2=O)CC1,CHEMBL54716,8.82
+FC(F)(F)c1cccc(C2CCNC2)c1,CHEMBL3706603,6.76
+CCCN1CCC(c2cccc3ccccc23)C1,CHEMBL82485,7.14
+CCCN1CCC(c2cccc(C(F)(F)F)c2)C1,CHEMBL310607,6.45
+CCCN1CCC(c2ccccc2)C1,CHEMBL82541,6.34
+c1ccc2c(C3CCNC3)cccc2c1,CHEMBL311972,7.02
+CCCN1CCC(c2cccc(O)c2)C1,CHEMBL81675,6.7
+CCCN1CCC(c2cccc(S(C)(=O)=O)c2)C1,CHEMBL310745,6.09
+CCCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL79812,6.19
+CCCN(CCC)CCc1c[nH]c2ccc(O)cc12,CHEMBL141706,8.15
+CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12,CHEMBL169328,8.4
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,5.723
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,6.952999999999999
+CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1,CHEMBL110239,8.29
+Oc1cccc2c1CC(NC/C=C/I)CC2,CHEMBL321905,8.0
+CCCN(C/C=C/I)C1CCc2cccc(OC)c2C1,CHEMBL108324,7.9
+COc1cccc2c1CC(NC/C=C/I)CC2,CHEMBL323786,7.77
+OC(CCN1CCN(C2C=Cc3ccccc3N2)CC1)c1csc2ccccc12,CHEMBL131691,7.99
+OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12,CHEMBL135623,8.23
+OC(CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccc(F)cc12,CHEMBL2112696,8.6
+OC(CCN1CCN(c2cccc3ncccc23)CC1)c1csc2ccccc12,CHEMBL133335,7.43
+OC(CCN1CCN(c2ccnc3ccccc23)CC1)c1csc2ccccc12,CHEMBL337669,6.52
+OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccccc12,CHEMBL335082,8.24
+OC(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL133814,7.18
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccccc12,CHEMBL424083,8.2
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12,CHEMBL339501,8.57
+OC(CCN1CCN(c2ccc3ncccc3c2)CC1)c1csc2ccccc12,CHEMBL334637,6.26
+OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL336842,8.22
+OC(CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccccc12,CHEMBL133755,6.42
+OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccccc12,CHEMBL133476,8.26
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL423896,8.52
+OC(CCN1CCN(c2cnc3ccccc3c2)CC1)c1csc2ccccc12,CHEMBL133822,6.0
+OC(CCN1CCN(c2cccc3c2OCO3)CC1)c1csc2ccc(F)cc12,CHEMBL337499,8.03
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccccc12,CHEMBL337659,8.72
+OC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12,CHEMBL341434,6.04
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1,CHEMBL538529,7.03
+CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1,CHEMBL334889,6.0
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL552830,8.51
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1,CHEMBL553555,6.08
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL428175,8.46
+CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCC3)cs2)CC1,CHEMBL542483,8.6
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCCC3)s2)CC1,CHEMBL538280,8.49
+COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4C3=O)o2)CC1,CHEMBL133765,8.72
+O=C(c1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1)N1CCCCC1,CHEMBL544371,9.2
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,8.77
+CC(C)Oc1ccccc1N1CCN(CC2CC(CO)=NO2)CC1,CHEMBL133880,6.92
+CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCCC3)cs2)CC1,CHEMBL544373,9.39
+CC(C)Oc1ccccc1N1CCN(CC2CC(CN3CCCCC3=O)=NO2)CC1,CHEMBL124285,8.0
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,7.167000000000001
+Cc1[nH]c2ccc(O)cc2c1CCN,CHEMBL266591,5.76
+COc1ccc2[nH]c(C)c(CCN)c2c1,CHEMBL268800,5.89
+CCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL367921,8.1
+CCCCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL172947,7.85
+CCCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL176343,8.48
+CCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL422732,9.49
+CC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL66335,8.7
+CCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL369829,9.22
+CCC(CC)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL424777,8.68
+CCCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL172369,8.31
+CCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL177034,8.34
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O,CHEMBL417473,7.21
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O,CHEMBL285352,5.92
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@]3(C)O,CHEMBL27309,6.505
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O,CHEMBL26751,7.51
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3=O,CHEMBL26471,6.85
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL267777,6.0
+O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL83894,7.15
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL106737,6.81
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,6.62
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1744044,6.63
+COc1ccccc1N1CCN(Cc2cnc3c4ccccc4[nH]c(=O)n23)CC1,CHEMBL107084,5.4
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51433,7.8
+Fc1cccc2c1CC[C@@H](NCc1ccccc1)C2,CHEMBL141537,6.31
+CCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL139345,6.97
+O=C1CC2(CCCC2)CC(=O)N1CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL139089,8.19
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1,CHEMBL138998,9.61
+CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1,CHEMBL345087,6.19
+N[C@@H]1CCc2c(F)cccc2C1,CHEMBL138792,6.28
+CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1,CHEMBL65847,7.54
+CC(C)N[C@@H]1CCc2c(F)cccc2C1,CHEMBL342630,6.2
+CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1,CHEMBL141510,7.35
+CCCCN[C@@H]1CCc2c(F)cccc2C1,CHEMBL141511,6.36
+CCOc1ccccc1-c1nnc(SCCCN2CCN(c3ccccc3OC)CC2)s1,CHEMBL418343,8.16
+Nn1c(SCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2sccc2c1=O,CHEMBL11890,8.52
+CCCc1cc2c(=O)n(N)c(SCCCN3CCN(c4ccccc4OC)CC3)nc2s1,CHEMBL275442,8.85
+COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1,CHEMBL11936,8.61
+CCc1cc2c(=O)n(N)c(SCCCN3CCN(c4ccccc4OC)CC3)nc2s1,CHEMBL11900,9.72
+COc1ccccc1N1CCN(CCCSc2nc3sc4c(c3c(=O)n2N)CCC4)CC1,CHEMBL12170,9.59
+Cc1sc2nc(SCCCN3CCN(c4ccccc4[N+](=O)[O-])CC3)n(N)c(=O)c2c1C,CHEMBL276617,8.84
+Nn1c(SCCCN2CCN(c3ncccn3)CC2)nc2sccc2c1=O,CHEMBL11935,8.3
+CCOc1ccccc1-c1nnc(SCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)s1,CHEMBL273512,6.87
+CCc1cc2c(=O)n(N)c(SCCCN3CCN(c4ccccc4[N+](=O)[O-])CC3)nc2s1,CHEMBL12151,8.01
+CCc1cc2c(=O)n(N)c(SCCCN3CCN(c4ncccn4)CC3)nc2s1,CHEMBL416707,8.03
+CN1CCOc2c(C(=O)NC[C@H]3CCCN3Cc3ccccc3)cc(Cl)cc21,CHEMBL22468,7.68
+CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL280912,7.09
+CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL21940,7.8
+CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL22772,7.74
+CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL22154,6.24
+CCCCN1CCC[C@H]1CNC(=O)c1cc(SC)cc2c1OCCN2C,CHEMBL21971,7.72
+CSc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2,CHEMBL22835,6.06
+CN1CCOc2c(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)cc(Cl)cc21,CHEMBL21386,6.66
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL22306,6.48
+CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL278838,6.48
+CSc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2,CHEMBL278151,7.77
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(SC)cc2c1OCCN2C,CHEMBL21318,6.92
+COc1ccccc1N1CCN(CCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL296713,7.34
+COc1ccccc1N1CCN(CN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL295168,7.502999999999999
+COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL265494,6.0
+COc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL43992,8.39
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL42644,8.14
+O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL45253,8.24
+O=C1C2CCCCN2C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL46525,6.89
+COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL26853,7.7
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL46881,8.06
+O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL44786,7.27
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL417709,8.0
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL42404,7.11
+O=C1C2CCCCN2C(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL42396,7.18
+O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL41978,6.81
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL278762,5.35
+CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL284027,6.55
+CCCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc2c1OCCN2C,CHEMBL280879,6.35
+CCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL22857,5.92
+CCCCN1CCCC1CNC(=O)c1cccc2c1OCCN2C,CHEMBL22465,6.77
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC3)c2)CC1,CHEMBL291846,8.47
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCOCC3)c2)CC1,CHEMBL304435,8.49
+O=C(c1cccc(CN2CCN(C3COc4ccccc4O3)CC2)c1)N1CCCCC1,CHEMBL293658,9.47
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL64702,9.22
+CCCc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL292752,8.04
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,CHEMBL301465,8.96
+O=C(c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1,CHEMBL294129,8.09
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)NC3CCCCC3)c2)CC1,CHEMBL60411,8.39
+N#Cc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL62024,8.6
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCCC3)c2)CC1,CHEMBL303982,9.22
+O=C(c1cccc(CN2CCN(c3ccccc3)CC2)c1)N1CCCCC1,CHEMBL417402,8.14
+CC(=O)N(C)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL61963,8.48
+O=C(c1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1)N1CCCCC1,CHEMBL59853,8.74
+O=C(c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1,CHEMBL61470,8.64
+O=C(c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1)N1CCCCC1,CHEMBL64547,6.92
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(N)=O)c2)CC1,CHEMBL60110,7.74
+O=C(c1cccc(CN2CCN(c3ncccn3)CC2)c1)N1CCCCC1,CHEMBL60663,7.92
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1,CHEMBL61926,7.96
+CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL62150,8.6
+CCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL59167,9.1
+CC(C)Oc1cc(F)ccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL60675,8.38
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3=O)c2)CC1,CHEMBL279837,8.41
+CC(C)Oc1ccccc1N1CCN(CCCCc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL61975,7.8
+CCOc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL59855,9.15
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1,CHEMBL292107,8.92
+COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL64274,9.34
+CCN1CCCC1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL64226,6.92
+O=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1,CHEMBL61816,9.68
+O=C(c1cccc(CN2CCN(c3ccccc3C(F)(F)F)CC2)c1)N1CCCCC1,CHEMBL413546,9.1
+O=C(c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1)N1CCCCC1,CHEMBL61117,8.92
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1,CHEMBL61440,8.47
+O=C(c1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1)N1CCCCC1,CHEMBL64678,7.62
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=S)N3CCCCC3)c2)CC1,CHEMBL60122,8.96
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCC3)c2)CC1,CHEMBL441795,8.44
+CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL64528,9.05
+O=C(c1cccc(CN2CCN(c3ccccc3F)CC2)c1)N1CCCCC1,CHEMBL64210,7.8
+CCN(CC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL64227,8.68
+OC(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1,CHEMBL135753,6.7
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccsc2)CC1,CHEMBL135887,7.26
+COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL137326,6.38
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccccc2)CC1,CHEMBL134595,7.7
+Oc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135890,7.74
+COc1ccccc1N1CCN(CC/C(=N/O)c2cc(C)sc2C)CC1,CHEMBL335925,6.89
+O=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12,CHEMBL132979,6.96
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,7.7
+COc1ccccc1N1CCN(CCC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL133309,5.44
+COc1ccccc1N1CCN(CCC(O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL135961,8.0
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL334974,6.1
+COc1ccccc1N1CCN(CC/C(=N\O)c2cc(C)sc2C)CC1,CHEMBL135918,7.07
+COc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL135824,6.07
+COc1ccc(C(CCN2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1,CHEMBL422621,6.0
+COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1,CHEMBL336562,7.47
+COc1ccccc1N1CCN(CCC(=O)c2ccc([N+](=O)[O-])s2)CC1,CHEMBL135585,6.47
+COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1,CHEMBL135293,7.32
+COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1,CHEMBL336592,8.0
+COc1ccccc1N1CCN(CC/C(=N/O)c2ccc(C)s2)CC1,CHEMBL135286,7.12
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL336341,6.15
+O=C(CCN1CCN(c2ncccn2)CC1)c1ccccc1,CHEMBL133210,6.92
+OC(CCN1CCN(c2ncccn2)CC1)c1ccccc1,CHEMBL135712,6.43
+OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL137725,6.84
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccsc2)CC1,CHEMBL132764,8.19
+COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL424090,6.3
+COc1ccccc1N1CCN(CCC(=O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL336504,7.3
+Oc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL337185,6.72
+COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1,CHEMBL132532,6.6
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1,CHEMBL133139,5.8
+COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL135802,8.3
+Cc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL133207,7.05
+O=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1,CHEMBL337671,6.0
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2cccs2)CC1,CHEMBL337249,6.66
+COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1,CHEMBL337869,7.3
+COc1ccccc1N1CCN(CC/C(=N\O)c2csc3ccccc23)CC1,CHEMBL439978,7.22
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccc(C)s2)CC1,CHEMBL337184,6.89
+COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135451,6.44
+COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1,CHEMBL137591,7.76
+OC(CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,CHEMBL135554,6.94
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1,CHEMBL134455,6.35
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1,CHEMBL135922,5.8
+COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1,CHEMBL334407,7.92
+COc1ccc(C(=O)CCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL336280,5.76
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1,CHEMBL134743,6.74
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL135379,5.56
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1,CHEMBL135669,7.76
+Clc1ccc(N2CCN(CCC(Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1,CHEMBL135586,6.26
+COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL423168,6.3
+O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1,CHEMBL135754,6.7
+COc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1,CHEMBL135564,5.84
+COc1cc(Cl)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL132924,6.3
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL136029,7.0
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1,CHEMBL135295,7.46
+COc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1,CHEMBL135730,7.05
+O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,CHEMBL133138,6.74
+COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1,CHEMBL134676,7.3
+Cc1cc(C(=O)CCN2CCN(c3cccc4ccccc34)CC2)c(C)s1,CHEMBL441481,7.0
+O=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL135023,7.3
+COc1ccc(N2CCN(CCC(=O)c3ccccc3)CC2)cc1,CHEMBL135828,5.3
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,7.36
+COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1,CHEMBL135939,7.72
+O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL334444,6.1
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1,CHEMBL135785,6.59
+OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1,CHEMBL134656,6.81
+COc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL135272,6.49
+COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL341381,7.89
+COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135770,6.3
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL424470,6.1
+COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1,CHEMBL132916,7.8
+Cc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL132541,8.12
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12,CHEMBL337087,5.3
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL280063,7.0
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,7.52
+Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL16123,7.52
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15456,6.52
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15941,7.4
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL15637,6.7
+Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL415985,8.4
+Cn1c(=O)sc2cc(CCCCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL15986,8.0
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15955,7.52
+Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL15809,8.4
+O=C(c1cccc(CN2CCN(c3nsc4ccccc34)CC2)c1)N1CCCCC1,CHEMBL59878,8.6
+COc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL289873,8.36
+O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL45007,6.22
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL290039,7.95
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL46918,8.62
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL297844,7.24
+O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL42706,8.42
+COc1ccccc1N1CCN(CCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL46535,6.63
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL42810,8.26
+O=C1C2CCCN2C(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL47200,6.91
+O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL416984,7.25
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL46885,7.05
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL295244,7.1
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL43332,7.61
+O=C1C2CCCN2C(=O)N1CN1CCN(c2ccccc2)CC1,CHEMBL46470,7.07
+O=C1C2CCCN2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL297887,7.23
+O=C1C2CCCN2C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL46802,6.38
+COc1ccccc1N1CCN(CN2C(=O)C3CCCN3C2=O)CC1,CHEMBL46471,7.46
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2ccccc2)CC1,CHEMBL42654,7.0
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1,CHEMBL46672,6.35
+O=C1C2CCCN2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1,CHEMBL42881,6.3
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL296413,7.24
+O=C1C2CCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL430567,6.92
+O=C1C2CCCN2C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL290203,7.72
+CCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL26782,4.51
+CCCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL279906,8.57
+Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1,CHEMBL27298,6.78
+O=C(Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL282367,4.83
+CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,CHEMBL284092,7.325
+CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL27378,8.222000000000001
+CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL26737,6.82
+CC(C)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL307204,6.8
+CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL284887,4.31
+CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL27192,6.91
+Clc1cccc(N2CC[N+]3(CCCC3)CC2)c1,CHEMBL78740,5.14
+CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL413527,6.66
+C=CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL76783,6.6
+CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL26650,7.74
+CCC(C)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL281918,6.9
+OCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL26540,6.69
+CCCCCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL80574,7.95
+NC(=O)C1(NC2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL356075,5.79
+CC(C)N1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL357924,5.63
+CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL146591,5.2
+CN1CN(Cc2ccccc2)C(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL146569,6.58
+CCN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL342963,5.1
+COc1cccc2c1OC(CNCC1CCN(c3ncccn3)CC1)CO2,CHEMBL112345,9.22
+c1cnc(N2CCC(CNC[C@@H]3COc4ccccc4O3)CC2)nc1,CHEMBL2111750,7.6
+COc1cccc2c1OCC(CNCC1CCN(c3ncccn3)CC1)O2,CHEMBL115990,6.89
+COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1,CHEMBL114852,7.7
+COc1cccc(N2CCC(CNCC3COc4ccccc4O3)CC2)c1,CHEMBL114331,8.15
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.66
+c1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCC4)CC1)O2,CHEMBL324403,8.52
+COc1ccccc1N1CCC(CNCC2COc3cccc(F)c3O2)CC1,CHEMBL322560,7.8
+Clc1ccccc1N1CCC(CNCC2COc3ccccc3O2)CC1,CHEMBL112526,7.77
+COc1ccccc1N1CCC(CNC[C@H]2COc3ccccc3O2)CC1,CHEMBL2112546,8.1
+c1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCCO4)CC1)O2,CHEMBL115599,7.74
+c1cnc(NCCNCC2COc3ccccc3O2)nc1,CHEMBL430698,8.51
+CC1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1,CHEMBL324985,6.71
+COc1ccc(N2CCC(CNCC3COc4ccccc4O3)CC2)cc1,CHEMBL111810,7.82
+c1cnc(N2CCC(CNC[C@H]3COc4ccccc4O3)CC2)nc1,CHEMBL2112547,8.57
+c1ccc(N2CCC(CNCC3COc4ccccc4O3)CC2)cc1,CHEMBL112033,7.54
+COc1ccccc1N1CCC(CNC[C@@H]2COc3ccccc3O2)CC1,CHEMBL2111751,7.43
+CN(C)CCc1c[nH]c2ccsc12,CHEMBL13147,7.12
+CN(C)CCc1c[nH]c2sccc12,CHEMBL13086,6.74
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,6.59
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN,CHEMBL542436,7.27
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL543390,6.51
+CCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2[C@H]1C,CHEMBL40603,6.38
+CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2[C@H]1C,CHEMBL38748,6.86
+CCCN(CCC)[C@@H]1CCc2cccc(C(=O)NC(C)C)c2[C@@H]1C,CHEMBL288284,7.42
+CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C,CHEMBL40264,5.53
+CCCN(C(C)C)[C@@H]1CCc2cccc(OC)c2[C@@H]1C,CHEMBL38192,6.94
+CCCN(C(C)C)[C@@H]1CCc2cccc(O)c2[C@@H]1C,CHEMBL288721,7.09
+CCCN(CCC)[C@H]1CCc2cccc(-c3ccco3)c2[C@H]1C,CHEMBL297143,7.36
+CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C,CHEMBL289106,8.12
+CCCN(C(C)C)[C@H]1CCc2cccc(O)c2[C@H]1C,CHEMBL288583,5.18
+CCCN(CCC)[C@@H]1CCc2ccccc2[C@@H]1C,CHEMBL41802,7.31
+CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C,CHEMBL43475,8.61
+CCCN(CCC)[C@H]1CCc2cccc(OC)c2[C@H]1C,CHEMBL287770,6.55
+CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2[C@@H]1C,CHEMBL290091,9.25
+CCCN(CCC)[C@@H]1CCc2cccc(C(=O)OC)c2[C@@H]1C,CHEMBL40634,7.74
+CCCN(CCC)[C@@H]1CCc2cccc(OC)c2[C@@H]1C,CHEMBL290446,8.22
+CCCN(C(C)C)[C@H]1CCc2cccc(OC)c2[C@H]1C,CHEMBL38916,5.85
+CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2[C@@H]1C,CHEMBL290546,8.17
+CCCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2[C@H]1C,CHEMBL288540,6.63
+CCCN(CCC)[C@@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@@H]1C,CHEMBL41187,8.59
+CN1CCc2cccc3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1-3,CHEMBL333836,8.11
+CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL53,6.53
+CN1CCc2cccc3c2[C@H]1Cc1cccc(C(N)=O)c1-3,CHEMBL324073,6.7
+CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL281357,7.1
+CC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL333134,7.24
+CCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL118254,8.35
+CC(C)N1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL333725,6.36
+C=Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119656,8.22
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC)c1-3,CHEMBL119154,7.5
+CN1CCc2cccc3c2[C@H]1Cc1cccc(C#N)c1-3,CHEMBL115969,7.39
+COc1ccccc1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL333085,7.57
+CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL119455,8.02
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C(C)C)CC3,CHEMBL115402,6.43
+COc1cccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL119132,8.08
+Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL27940,7.84
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,8.74
+Oc1cccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL332332,8.24
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL117841,8.29
+COc1cccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3,CHEMBL119401,5.49
+COc1ccccc1N1CCN(CCNC(=O)Cc2ccsc2)CC1,CHEMBL23817,7.49
+COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1,CHEMBL22872,7.76
+COc1ccccc1N1CCN(CCNC(=O)c2cccn2C)CC1,CHEMBL282453,8.92
+COc1ccccc1N1CCN(CCNC(=O)C2CCCC2)CC1,CHEMBL23905,8.33
+COc1ccccc1N1CCN(CCNC(=O)C2CC3C=CC2C3)CC1,CHEMBL23946,9.57
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccsc2)CC1,CHEMBL282012,8.66
+COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CCCC3C2)CC1,CHEMBL23877,9.2
+COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2C)CC1,CHEMBL22427,8.82
+COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1,CHEMBL23904,8.73
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1,CHEMBL23912,7.6
+COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2C3)CC1,CHEMBL23847,9.92
+COc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1,CHEMBL23449,8.63
+COc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1,CHEMBL23264,6.7
+COc1ccccc1N1CCN(CCCNC(=O)C2CC3CCCC3C2)CC1,CHEMBL280426,7.94
+COc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1,CHEMBL22871,8.51
+COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2Cl)CC1,CHEMBL23315,8.48
+COc1ccccc1N1CCN(CCNC(=O)c2ccsc2)CC1,CHEMBL276953,8.17
+COc1ccccc1N1CCN(CCNC(=O)C2CC3CCCC3C2)CC1,CHEMBL25654,9.62
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C)s2)CC1,CHEMBL23266,8.42
+COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1,CHEMBL22601,8.64
+COc1ccccc1N1CCN(CCCCNC(=O)C2CC3C=CC2C3)CC1,CHEMBL22600,9.42
+COc1ccccc1N1CCN(CCCNC(=O)c2cccnc2)CC1,CHEMBL24113,6.49
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc[nH]2)CC1,CHEMBL278604,7.9
+CC(=O)c1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL326159,5.76
+COc1c(C(C)=O)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL324372,6.82
+Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)NCC3,CHEMBL116367,8.49
+COc1c(-c2ccco2)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL119150,6.0
+COc1c(OS(=O)(=O)C(F)(F)F)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL334116,5.79
+C=Cc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331100,6.97
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3,CHEMBL119223,5.86
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1-3,CHEMBL119900,5.48
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL119593,7.915
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL117730,7.9
+CN1CCc2cccc3c2[C@H]1Cc1ccc(-c2ccccc2)c(O)c1-3,CHEMBL119577,5.96
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL332178,8.12
+CCc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL115524,8.04
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(OC)c1-3,CHEMBL118771,7.97
+COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(C(C)C)CC3,CHEMBL332490,6.19
+CCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL331005,7.76
+Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3,CHEMBL332771,6.11
+Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C(C)C)CC3,CHEMBL435779,6.62
+O=C1C2C3C=CC(C4C=CC43)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216636,8.0
+O=C1C2C3C=CC(C4CC34)C2S(=O)(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL552874,7.85
+O=C1C2C3CCC(O3)C2S(=O)(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL537242,6.26
+O=C1C2C3C=CC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3215971,7.82
+O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3217066,7.8
+O=C1C2C3C=CC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216189,6.36
+O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3216410,7.35
+O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216623,7.28
+O=C1C2C3C=CC(C4CC34)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL542293,8.4
+O=C1C2C3CCC(O3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3215525,7.66
+O=C1C2C3CCC(O3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3215969,7.47
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1,CHEMBL3217071,8.05
+O=C1C2C3CCC(C4CC43)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL543960,7.68
+COc1ccc(N2CCNCC2)cc1,CHEMBL59517,4.7
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,7.887
+Fc1ccc(N2CCNCC2)c2occc12,CHEMBL305308,7.74
+Cc1cc(N2CCNCC2)c2occc2c1,CHEMBL291572,6.92
+Brc1cc(N2CCNCC2)c2occc2c1,CHEMBL301049,7.46
+Fc1cc(N2CCNCC2)c2occc2c1,CHEMBL432134,6.98
+COc1cccc(N2CCNCC2)c1,CHEMBL59597,6.49
+COc1ccc(N2CCNCC2)c2occc12,CHEMBL61438,6.37
+COc1cccc(N2CCNCC2)c1OC,CHEMBL58963,6.0
+Fc1ccc2ccoc2c1N1CCNCC1,CHEMBL61242,8.24
+O=[N+]([O-])c1ccc2ccoc2c1N1CCNCC1,CHEMBL62195,6.85
+C1=COc2c(cccc2N2CCNCC2)O1,CHEMBL434784,7.92
+Brc1coc2c(N3CCNCC3)cccc12,CHEMBL59340,6.89
+Cc1cc2cccc(N3CCNCC3)c2o1,CHEMBL61028,7.89
+COc1cc(N2CCNCC2)c2occc2c1,CHEMBL57583,7.55
+c1cc(N2CCNCC2)c2[nH]ccc2c1,CHEMBL60803,6.7
+c1cc2c(c(N3CCNCC3)c1)CCCC2,CHEMBL301644,7.08
+CC1=COc2c(cccc2N2CCNCC2)O1,CHEMBL294456,8.28
+Cc1coc2c(N3CCNCC3)cccc12,CHEMBL301451,7.14
+Clc1ccc2c(c1N1CCNCC1)OCCO2,CHEMBL60341,6.7
+c1cc(N2CCNCC2)c2sccc2c1,CHEMBL60809,8.0
+Brc1ccc(N2CCNCC2)c2occc12,CHEMBL58591,6.52
+N#Cc1ccc2ccoc2c1N1CCNCC1,CHEMBL303771,6.66
+Cc1ccc(N2CCNCC2)c2occc12,CHEMBL59396,6.66
+CC(C)CN1CCN(c2cccc3ccoc23)CC1,CHEMBL96658,7.19
+c1cc(N2CCN(CC3CCCCC3)CC2)c2occc2c1,CHEMBL27655,8.11
+c1cc2c(c(N3CCN(CC4CCCCC4)CC3)c1)OCCO2,CHEMBL282205,7.96
+CCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL285158,9.158
+CN1CCN(c2cccc3ccoc23)CC1,CHEMBL286287,8.093
+CCCCCCCCCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL26355,8.1
+c1cc(N2CCN(C3CCCCC3)CC2)c2occc2c1,CHEMBL28110,7.19
+CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL26905,7.18
+CCN1CCN(c2cccc3ccoc23)CC1,CHEMBL329246,7.64
+CCCCCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL27558,9.27
+c1cc(N2CCN(CC3CC3)CC2)c2occc2c1,CHEMBL416382,7.7
+CCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL26645,7.54
+CC(C)N1CCN(c2cccc3ccoc23)CC1,CHEMBL26819,7.25
+CCCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL26601,8.66
+CCCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL280825,8.23
+CCCCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL26834,9.09
+CCCCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL27457,9.3
+CCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL27590,7.1
+c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2,CHEMBL28143,9.6
+CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL27694,7.625
+CCCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL94115,9.0
+CCCCCCCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL26988,8.77
+CCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL28288,7.92
+COc1ccc(Cl)cc1N1CCNCC1,CHEMBL61778,6.06
+c1ccc2cc(N3CCNCC3)ccc2c1,CHEMBL278509,5.523
+O=C(NCCCCN1CCN(c2ncccn2)CC1)c1ccccc1,CHEMBL27526,7.22
+CC(=O)NCCCCN1CCN(c2ccccc2)CC1,CHEMBL27555,6.6
+c1cnc(N2CCNCC2)nc1,CHEMBL724,5.85
+c1ccc(C2CCNCC2)cc1,CHEMBL20969,5.82
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL281720,7.44
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,7.117000000000001
+CC(C)NCC(O)COc1cccc2[nH]ccc12,CHEMBL500,7.643
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,6.52
+NCCc1c[nH]c2ccc(C(N)=O)cc12,CHEMBL18840,9.615
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,8.335
+NCCc1c[nH]c2cccc(O)c12,CHEMBL18855,7.02
+Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,CHEMBL18331,5.77
+NCCc1c[nH]c2ccccc12,CHEMBL6640,6.77
+NCCc1c[nH]c2cc(O)ccc12,CHEMBL19264,5.8
+CNCCc1c[nH]c2ccc(O)cc12,CHEMBL277362,8.305
+CC(C)CN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL160040,7.38
+NC(=O)c1cccc2c1[C@@H]1CCN(CCCF)[C@@H]1CC2,CHEMBL161904,8.41
+CCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL162767,7.35
+FCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL354455,8.33
+NC(=O)c1cccc2c1[C@@H]1CCN(CCCCl)[C@@H]1CC2,CHEMBL441486,7.82
+CN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL163135,7.39
+CC(C)=CCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL355601,6.57
+CCCN(CCC)C(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2,CHEMBL163619,6.36
+CC(C)=CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL163469,6.58
+C=CCNC(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2,CHEMBL159625,8.66
+C=CCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL423612,7.47
+CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL161940,7.96
+C=CCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL161890,8.82
+CCCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL349003,8.72
+COCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL350145,7.01
+Brc1cccc2c1[C@@H]1CCN(CC3CC3)[C@@H]1CC2,CHEMBL163134,8.33
+CCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL352887,7.64
+C#CCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL162167,7.32
+CCCN1CC[C@H]2c3c(cccc3C(=O)C(C)C)CC[C@H]21,CHEMBL421848,8.92
+C=CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL164195,9.0
+CCCN1CC[C@H]2c3c(cccc3C(=O)NCc3ccccc3)CC[C@H]21,CHEMBL351857,7.66
+CCCC(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2,CHEMBL349604,9.15
+NC(=O)c1cccc2c1[C@@H]1CCN(CC3CC3)[C@@H]1CC2,CHEMBL349502,8.08
+C=CCCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL159886,7.09
+COCCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL163258,6.89
+CCCNC(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2,CHEMBL162227,7.28
+ClCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL421839,7.92
+CN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL161891,7.62
+CCCN1CC[C@H]2c3c(cccc3C(C)=O)CC[C@H]21,CHEMBL351234,9.4
+CCCCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21,CHEMBL162035,7.08
+CCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,CHEMBL38580,8.24
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,CHEMBL41759,7.98
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1,CHEMBL41120,7.33
+CCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,CHEMBL39847,8.96
+CCCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL41200,8.89
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccsc2)C1,CHEMBL38855,8.14
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(C(C)=O)cc2)C1,CHEMBL43359,7.96
+CCCN(CCC)C1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL41491,8.96
+CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,CHEMBL43073,7.2
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2OC)C1,CHEMBL291251,7.22
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,CHEMBL38656,7.79
+CCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,CHEMBL41134,8.96
+CCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2)C1,CHEMBL42857,8.4
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302172,8.215
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL63449,8.7
+CCCN(CCC)C1CCc2cc3cc[nH]c3cc2C1,CHEMBL305341,6.24
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL65274,8.85
+CCCN(C(C)C)[C@@H]1COc2cccc(C(C)=O)c2C1,CHEMBL3085215,7.92
+CCCN(C(C)C)[C@H]1COc2cccc(C(C)=O)c2C1,CHEMBL3084311,9.52
+CCCN(C1CCCC1)[C@@H]1COc2cccc(C(=O)NC)c2C1,CHEMBL3085225,7.73
+CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1,CHEMBL1742470,8.11
+CCCN[C@H]1COc2cccc(C(N)=O)c2C1,CHEMBL3085218,7.01
+CCCN(C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1,CHEMBL2111582,5.97
+CNC(=O)c1cccc2c1C[C@H](NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2,CHEMBL2112382,7.61
+CCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1,CHEMBL2112383,6.7
+CCCN(CC(C)C)[C@H]1COc2cccc(C(=O)NC)c2C1,CHEMBL3085226,8.63
+CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1,CHEMBL3085216,9.32
+CC(C)N[C@H]1COc2cccc(C(N)=O)c2C1,CHEMBL3085223,6.4
+CNC(=O)c1cccc2c1C[C@H](N(CCCCN1C(=O)CC3(CCCC3)CC1=O)CC(C)C)CO2,CHEMBL2112379,8.61
+NC(=O)c1cccc2c1C[C@@H](N)CO2,CHEMBL2112388,5.53
+CCCN(CC(C)(C)C)[C@H]1COc2cccc(C(=O)NC)c2C1,CHEMBL2111581,7.51
+CCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC)c2C1,CHEMBL3085221,9.49
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1COc2cccc(C(=O)NC)c2C1,CHEMBL3084314,9.47
+CC(C)NC(=O)c1cccc2c1C[C@@H](NC(C)C)CO2,CHEMBL2112384,5.37
+CCCN(CC(C)(C)C)[C@@H]1COc2cccc(C(=O)NC)c2C1,CHEMBL2112389,8.4
+CNC(=O)c1cccc2c1C[C@@H](NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2,CHEMBL2111580,6.28
+CCCN(CCC)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1,CHEMBL3084312,7.85
+CCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)OC)c2C1,CHEMBL3085222,9.39
+CCCN(CCC)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1,CHEMBL3085217,7.19
+CCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC(C)C)c2C1,CHEMBL2112390,7.74
+CCCN(C(C)C)[C@H]1COc2cccc(OC)c2C1,CHEMBL3084313,8.51
+CCCN(C(C)C)[C@@H]1COc2cccc(OC)c2C1,CHEMBL3085219,6.87
+COc1ccc([N+](=O)[O-])cc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1,CHEMBL290430,8.03
+COc1ccccc1N1CCN(CCN2Cc3ccccc3C2=O)CC1,CHEMBL42780,7.83
+COc1ccc([N+](=O)[O-])cc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2c2ccccc2)CC1,CHEMBL43209,7.29
+COc1ccccc1N1CCN(CCN2C(=O)CCC2c2ccc(Br)cc2)CC1,CHEMBL296036,8.96
+COc1ccccc1N1CCN(CCN2C(=O)c3cc([N+](=O)[O-])ccc3C2c2ccccc2)CC1,CHEMBL43327,10.35
+COc1ccccc1N1CCN(CCn2c(=O)c3ccccc3c3ccccc32)CC1,CHEMBL42711,8.05
+COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccc2)CC1,CHEMBL296081,9.3
+COc1ccccc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1,CHEMBL295130,9.19
+COc1ccccc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2c2ccccc2)CC1,CHEMBL43099,10.16
+COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccn2)CC1,CHEMBL295245,8.19
+COc1ccccc1N1CCN(CCN2C(=O)c3cc([N+](=O)[O-])ccc3C2(O)c2ccccc2)CC1,CHEMBL439740,9.47
+COc1ccccc1N1CCN(CCN2C(=O)CCC2c2ccc(I)cc2)CC1,CHEMBL42993,8.6
+COc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1,CHEMBL296675,8.73
+O=C1/C(=C\c2ccccc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20617,7.27
+O=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL279282,6.69
+COc1ccc(/C=C2/C(=O)N(CCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1,CHEMBL278633,6.27
+O=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20597,7.54
+O=C1/C(=C/c2ccccc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL22162,6.4
+O=C1/C(=C\c2cccnc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL282264,7.24
+O=C1/C(=C/c2cccnc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20674,7.0
+COc1ccc(/C=C2\C(=O)N(CCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1,CHEMBL282032,5.1
+O=C1/C(=C\c2cccs2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL282255,4.69
+O=C1/C(=C/c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20482,5.79
+CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1O,CHEMBL37844,6.85
+CCCN(CCC)[C@@H]1C[C@H]1c1cccs1,CHEMBL35584,7.96
+CCCN(CCC)C1CC1c1cccs1,CHEMBL37503,7.89
+CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1OC,CHEMBL287461,7.77
+CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1OC,CHEMBL34652,6.64
+CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC,CHEMBL554110,6.7
+CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1O,CHEMBL542589,6.46
+CCCN(CCC)C1CC1c1ccsc1,CHEMBL543530,7.68
+CCCN(CCC)[C@H]1C[C@@H]1c1cccc(O)c1,CHEMBL34653,8.59
+CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1O,CHEMBL545643,8.49
+CCCN(CCC)C1CC1c1ccccc1Br,CHEMBL542094,7.66
+CCCN(CCC)C1CC1c1ccccc1,CHEMBL541033,7.62
+CCCN(CCC)[C@@H]1C[C@H]1c1cccc(O)c1,CHEMBL38307,6.34
+CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1OC,CHEMBL540779,7.22
+CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1O,CHEMBL36168,8.31
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C=CC(C5C=CC54)C3C2=O)CC1,CHEMBL1204093,8.89
+COc1ccccc1N1CCN(CCCn2nnc3ccccc32)CC1,CHEMBL91806,7.82
+COc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1,CHEMBL147854,8.1
+O=C1c2ccccc2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1,CHEMBL148381,7.47
+COc1ccccc1N1CCN(C2CCCC(n3nnc4ccccc43)C2)CC1,CHEMBL147972,7.33
+COc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1,CHEMBL342355,8.4
+O=C1[C@H]2CCCC[C@H]2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1,CHEMBL439805,5.8
+COc1ccccc1N1CCN(C2CCC(N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)CC1,CHEMBL147481,7.14
+O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL146989,7.3
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL91021,7.6
+COc1ccccc1N1CCN(CCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL2112361,7.21
+Cn1c(=O)c2c(nc3n2CCCN3CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL86719,8.68
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O,CHEMBL2112363,7.94
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL195047,7.96
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL195849,7.31
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112362,7.06
+COc1ccccc1N1CCN(CCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2112360,8.96
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL191907,7.34
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112359,7.17
+COc1ccccc1N1CCN(CCCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL193867,7.44
+COc1ccccc1N1CCN(CCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL91588,7.98
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O,CHEMBL193595,7.72
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL2112351,7.64
+COc1ccccc1N1CCN(CCCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL425567,7.47
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL41140,7.24
+CN1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1,CHEMBL352107,5.24
+CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL43355,5.55
+CN1CCN(c2nc3ccccc3c3c2CC2CCC3C2)CC1,CHEMBL287987,4.62
+COc1cc(CCN)c2c(c1OC)OCC2,CHEMBL102347,5.21
+CCOc1c(OC)cc(CCN)cc1OC,CHEMBL319415,5.16
+COc1cc(CCN)cc(OC)c1OC,CHEMBL26687,5.16
+COc1cc(C[C@@H](C)N)c(OC)cc1Br,CHEMBL69700,5.21
+COc1ccc2c3c1C[C@H](N(C)C)C[C@@H]3CO2,CHEMBL66241,4.42
+C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL305275,5.37
+CCCN(CCC)[C@@H]1CCCc2cccc(O)c2C1,CHEMBL74760,7.53
+COc1ccc2occ(CC(C)N)c2c1,CHEMBL304628,6.23
+COc1ccc2occ(CCN(C)C)c2c1,CHEMBL62426,7.0
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.28
+CCCc1cccc2c(CC(C)N)c[nH]c12,CHEMBL92620,6.0
+CCCCCCCCn1cc(CC(C)N)c2ccccc21,CHEMBL96302,7.11
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.15
+CCCCCc1cccc2c(CC(C)N)c[nH]c12,CHEMBL428004,5.16
+CCCCCn1cc(CC(C)N)c2ccccc21,CHEMBL92619,5.62
+CCCCCn1ccc(CC(C)N)c1,CHEMBL96674,5.12
+CC(N)Cc1cn(Cc2ccccc2)c2ccccc12,CHEMBL96622,7.52
+CCCn1cc(CC(C)N)c2ccccc21,CHEMBL328750,6.15
+O=[N+]([O-])c1ccc(OC(CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL153684,6.59
+Fc1ccccc1OC(CCN1CCN(c2noc3ccccc23)CC1)c1ccccc1,CHEMBL357308,6.93
+COc1ccc(OC(CCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL346203,7.16
+COc1ccc(OC(CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1,CHEMBL421787,7.03
+FC(F)(F)c1ccc(OC(CCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL151043,7.47
+Fc1ccccc1OC(CCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1,CHEMBL152997,7.15
+FC(F)(F)c1ccccc1OC(CCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1,CHEMBL150333,6.35
+COc1ccc(OC(CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL153685,6.74
+O=C(CCC(Oc1ccccc1F)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1,CHEMBL356250,7.42
+Nc1ccc(OC(CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1,CHEMBL423034,6.97
+COc1ccccc1N1CCN(CCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1,CHEMBL121894,6.42
+O=c1ccc(-n2cnc3ccccc32)nn1CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL331867,6.45
+COc1ccccc1N1CCN(CCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL330939,6.51
+COc1ccccc1N1CCN(CCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL331692,6.85
+O=c1ccc(-n2cnc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL324570,6.34
+O=c1ccc(-n2cnc3ccccc32)nn1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL331389,6.74
+O=c1ccc(-n2ccnc2)nn1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL121513,6.21
+COc1ccccc1N1CCN(CCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1,CHEMBL120455,6.5
+COc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL123871,7.01
+COc1ccccc1N1CCN(CCCCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL120331,6.65
+O=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL120531,6.49
+COc1ccccc1N1CCN(CCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL331263,6.29
+COc1ccccc1N1CCN(CCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL420542,6.33
+COc1ccccc1N1CCN(CCCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1,CHEMBL118764,6.97
+O=c1ccc(-n2cnc3ccccc32)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL119929,6.21
+COc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL420718,6.6
+COc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL332733,6.74
+O=c1ccc(-n2ccnc2)nn1CCCCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL121562,6.91
+O=c1ccc(-n2cnc3ccccc32)nn1CCCCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL420544,6.74
+O=c1ccc(-n2cnc3ccccc32)nn1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL118763,6.0
+COc1ccccc1N1CCN(CCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1,CHEMBL334015,6.9
+COc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL331927,6.99
+COc1ccccc1N1CCN(CCn2nc(-n3cnc4ccccc43)ccc2=O)CC1,CHEMBL120543,6.27
+CCCN(CCC)C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,CHEMBL324750,6.8
+CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1,CHEMBL442203,4.8
+CCCN(CCC)C1CCc2c(cccc2OC)C1,CHEMBL11615,6.36
+CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL301559,5.49
+CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL28437,8.02
+CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL28313,8.42
+CCCN(CCC)C1CCc2c(O)cccc2C1,CHEMBL273273,5.98
+CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1,CHEMBL114433,6.44
+COc1cc(CC(C)N)c(OC)cc1C,CHEMBL8600,5.29
+N[C@H]1C[C@@H]1c1c[nH]c2ccccc12,CHEMBL357702,6.09
+NC1CC1c1c[nH]c2ccc(F)cc12,CHEMBL147656,6.59
+COc1ccc2[nH]cc(C3CC3N)c2c1,CHEMBL147434,7.4
+N[C@@H]1C[C@H]1c1c[nH]c2ccccc12,CHEMBL358522,6.59
+COc1cccc2[nH]cc(C3CC3N)c12,CHEMBL148091,5.82
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1,CHEMBL109063,6.2
+C(#Cc1cccnc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL108463,6.26
+C(#Cc1ccncc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL110489,6.23
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1,CHEMBL109101,7.16
+CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@@H]1C,CHEMBL542510,6.4
+CCCN(CCC)[C@H]1C[C@H]1c1ccccc1O,CHEMBL2368632,8.09
+CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@H]1C,CHEMBL542753,5.86
+CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@H]21,CHEMBL545095,6.82
+CCCN1CCC[C@@H]2c3c(O)cccc3CC[C@H]21,CHEMBL539325,7.49
+CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@H]1C,CHEMBL541802,5.98
+CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1O,CHEMBL540354,6.03
+CCCN(CCC)C1(C)CCc2cccc(O)c2C1,CHEMBL545097,5.95
+CCCN1CCC[C@H]2c3c(O)cccc3CC[C@@H]21,CHEMBL543459,8.41
+CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@H]21,CHEMBL541348,5.55
+CCCN(CCC)[C@H]1C[C@H]1c1cccc(O)c1,CHEMBL2368621,7.77
+CCCN(CCC)[C@@H]1C[C@@H]1c1cccc(O)c1,CHEMBL545098,6.3
+CCCN(CCC)C1CCc2cccc(O)c2C1C,CHEMBL542754,8.55
+CCCCOc1ccccc1N1CCNCC1,CHEMBL9452,7.95
+Fc1ccccc1N1CCNCC1,CHEMBL9429,7.37
+CC(C)c1ccccc1N1CCNCC1,CHEMBL276156,7.9
+CC(C)Oc1ccccc1N1CCNCC1,CHEMBL9669,8.12
+N#Cc1ccccc1N1CCNCC1,CHEMBL275943,7.59
+Cc1ccccc1N1CCNCC1,CHEMBL9746,7.56
+CCc1ccccc1N1CCNCC1,CHEMBL9467,7.64
+CCCc1ccccc1N1CCNCC1,CHEMBL9870,7.71
+CCOc1ccccc1N1CCNCC1,CHEMBL273923,8.04
+Fc1cccc(N2CCNCC2)c1,CHEMBL269784,6.94
+Oc1ccccc1N1CCNCC1,CHEMBL266250,7.45
+CCCCc1ccccc1N1CCNCC1,CHEMBL9921,7.72
+Clc1cncc(N2CCNCC2)n1,CHEMBL269521,6.69
+CCCN(CCC)C1CC1c1ccccc1F,CHEMBL544005,7.23
+CCCN(CCC)C1CC1c1ccc(F)cc1,CHEMBL553030,7.12
+CCCN(CCC)[C@H]1C[C@@H]1c1cccs1,CHEMBL34989,6.09
+CCCN(CCC)C1CC1c1cc(F)ccc1O,CHEMBL539497,7.0
+CCCN(CCC)C1CC1c1cccc(F)c1,CHEMBL539499,7.0
+CCCN(CCC)C1CC1c1cc(F)ccc1OC,CHEMBL545176,6.85
+CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5,CHEMBL122485,5.82
+CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL124419,5.815
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL144210,7.81
+COc1ccccc1N1CCN(C/C=C/CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL145602,7.57
+COc1ccccc1N1CCN(CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL145399,7.03
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL356965,7.41
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL408681,7.85
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL343841,7.31
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1,CHEMBL147718,7.01
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1,CHEMBL144343,8.05
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL144097,7.14
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL435869,8.48
+COc1ccccc1N1CCN(CN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1,CHEMBL143616,7.21
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL148114,7.225
+COc1ccccc1N1CCN(CCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL424115,6.54
+COc1ccccc1N1CCN(CCCN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1,CHEMBL144846,7.43
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL342995,6.9
+COc1ccccc1N1CCN(C/C=C\CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL145329,6.63
+COc1ccccc1N1CCN(CCCCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL144157,7.88
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1,CHEMBL148119,6.7
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL144372,6.94
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL148126,7.38
+COc1ccccc1N1CCN(CCCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL147954,6.18
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL358580,6.9
+COc1ccccc1N1CCN(CC#CCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL433880,8.18
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(NC(=O)CCl)cc2)c2ccccn2)CC1,CHEMBL143920,7.66
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)cc2)c2ccccn2)CC1,CHEMBL143869,8.0
+CCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL142082,7.99
+CCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL343310,8.03
+CCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL141219,7.88
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)CC1,CHEMBL336685,7.57
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(CCl)cc2)c2ccccn2)CC1,CHEMBL143830,8.46
+COc1ccccc1N1CCN(CCN(C(=O)c2cccc(C)c2)c2ccccn2)CC1,CHEMBL139869,7.79
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1,CHEMBL140697,8.66
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1,CHEMBL286607,8.485
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)c(I)c2)c2ccccn2)CC1,CHEMBL140564,7.75
+CCCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL139941,7.24
+CCCCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL142073,7.09
+COc1ccccc1N1CCN(CCN(C(=O)c2ccccc2)c2ccccn2)CC1,CHEMBL410521,8.6
+COc1ccccc1N1CCN(CCN(C(=O)c2ccc([N-][N+]#N)c(I)c2)c2ccccn2)CC1,CHEMBL344795,7.6
+CCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1,CHEMBL141071,7.12
+Nc1cccc(OCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL543426,8.59
+Nc1cccc(OCCCNCC2CCc3ccc(O)cc3C2)c1,CHEMBL135864,7.3
+Oc1ccc2c(c1)O[C@@H](CN1CCc3ccccc3C1)CC2,CHEMBL135044,7.47
+Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl,CHEMBL135201,8.72
+Oc1ccc2c(c1)O[C@@H](CNCCCCc1ccccc1)CC2,CHEMBL134489,9.4
+Cc1ccc(CNCC2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1,CHEMBL133367,7.98
+Oc1ccc2c(c1)OC(CNCCCOc1ccccc1)CC2,CHEMBL134448,8.85
+CCCCCCNCC1CCc2ccc(O)cc2O1,CHEMBL135222,8.54
+Oc1ccc2c(c1)OC(CNCc1ccco1)CC2,CHEMBL134582,6.68
+Cc1ccc(OCCCNCC2CCc3ccc(O)cc3O2)cc1N,CHEMBL134281,9.0
+Oc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2,CHEMBL135357,6.67
+Oc1cc2c(cc1Cl)CC[C@@H](CNCc1ccccc1)O2,CHEMBL134343,5.3
+CS(=O)(=O)Nc1ccc2c(c1)OC(CNCCCO)CC2,CHEMBL135297,7.25
+CCCCNCC1CCc2ccc(O)cc2O1,CHEMBL135116,6.57
+Oc1ccc2c(c1)OC(CNCc1ccccc1)CC2,CHEMBL135395,7.28
+c1ccc(CNCC2CCc3ccccc3O2)cc1,CHEMBL134655,7.23
+Oc1ccc2c(c1)OC(CNCc1ccc(Cl)cc1)CC2,CHEMBL135873,7.36
+Nc1cccc(OCCCNC[C@@H]2COc3ccc(O)cc3O2)c1,CHEMBL423335,7.44
+Oc1ccc2c(c1)OC(CNCCCCc1ccccc1)CC2,CHEMBL134663,8.85
+Oc1ccc2c(c1)OC(CNCC1CCCCC1)CC2,CHEMBL135137,7.58
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2,CHEMBL134807,7.65
+Nc1cccc(OCCCNCC2COc3ccc(O)cc3O2)c1,CHEMBL135752,8.21
+Oc1ccc2c(c1)OC(CNCCCOc1ccc3cccnc3c1)CC2,CHEMBL135183,8.19
+Oc1ccc2c(c1)OC(CNCCCOc1ccc3ncoc3c1)CC2,CHEMBL334616,8.7
+CC(C)CNCC1CCc2ccc(O)cc2O1,CHEMBL135269,6.51
+CCCNCC1CCc2ccc(O)cc2O1,CHEMBL135636,6.75
+Nc1cccc(OCCCNCC2CCc3ccccc3O2)c1,CHEMBL134678,8.55
+Oc1ccc2c(c1)OC(CNCc1cccs1)CC2,CHEMBL337724,7.37
+Oc1ccc2c(c1)O[C@H](CNCc1ccccc1)CC2,CHEMBL138016,6.0
+Oc1ccc2c(c1)OC(CNCCCOc1ccc3c(c1)NCCC3)CC2,CHEMBL424087,9.1
+Cc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1,CHEMBL134605,9.22
+CC(C)CCNCC1CCc2ccc(O)cc2O1,CHEMBL134843,7.17
+Oc1ccc2c(c1)OC(CNCc1ccncc1)CC2,CHEMBL135285,7.24
+CN(Cc1ccccc1)CC1CCc2ccc(O)cc2O1,CHEMBL135291,6.72
+CCCCCNCC1CCc2ccc(O)cc2O1,CHEMBL340267,7.89
+CS(=O)(=O)Nc1ccc2c(c1)OC(CNCc1ccccc1)CC2,CHEMBL337696,7.28
+Oc1cc2c(cc1Cl)CCC(CNCc1ccccc1)O2,CHEMBL337228,6.41
+Oc1ccc2c(c1)OC(CN1CCc3ccccc3C1)CC2,CHEMBL134808,6.96
+Nc1nccc(OCCCNCC2CCc3ccc(O)cc3O2)n1,CHEMBL134725,7.11
+Oc1ccc2c(c1)OC(CNCCCc1ccccc1)CC2,CHEMBL135495,8.44
+Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1,CHEMBL339190,7.5
+Oc1ccc2c(c1)OC(CNCCCOc1cccc3[nH]ccc13)CC2,CHEMBL134707,9.22
+Oc1ccc2c(c1)OC(CNCCc1ccccc1)CC2,CHEMBL135546,8.15
+OCCCNCC1CCc2ccc(O)cc2O1,CHEMBL336856,7.07
+Oc1ccc2c(c1)OC(CNC1CCCCC1)CC2,CHEMBL135011,6.48
+Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1,CHEMBL136635,8.17
+Oc1ccc2c(c1)OC(CNCCCOc1ccc3ocnc3c1)CC2,CHEMBL134677,9.72
+CS(=O)(=O)Nc1ccc2c(c1)OC(CNCCCOc1cccc(N)c1)CC2,CHEMBL133833,8.52
+Fc1ccc(CNCC2CCc3ccccc3O2)cc1,CHEMBL135211,7.34
+Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2,CHEMBL135725,6.2
+Oc1ccc2c(c1)OC(CNCc1cccc3ccccc13)CC2,CHEMBL135242,8.22
+Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12,CHEMBL134930,9.52
+Oc1ccc2c(c1)OC(CNCc1ccc(F)cc1)CC2,CHEMBL334406,7.15
+Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2,CHEMBL423890,6.81
+Clc1c[nH]c2cccc(OCCNCCCCc3ccccc3)c12,CHEMBL64420,9.3
+Clc1ccc(OCCNCc2ccccc2)c2cc[nH]c12,CHEMBL64134,6.71
+CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2c1CC(=O)N2,CHEMBL60900,6.6
+O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(F)c2N1,CHEMBL62290,6.92
+c1ccc(CNC[C@H]2CCc3ccc4[nH]ccc4c3O2)cc1,CHEMBL60185,9.4
+O=C1Cc2c(cccc2OCCNCc2ccccc2)N1,CHEMBL59752,6.51
+O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(Cl)c2N1,CHEMBL61665,7.42
+Oc1cccc(OCCNCc2ccccc2)c1,CHEMBL64508,5.75
+NCCOc1ccc(F)c2c1CC(=O)N2,CHEMBL302436,7.6
+O=C1Cc2c(OCCNCC3CCCCC3)ccc(F)c2N1,CHEMBL59750,7.77
+Fc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1,CHEMBL64345,6.16
+O=C1Cc2c(OCCNCc3ccsc3)ccc(Cl)c2N1,CHEMBL64466,7.08
+O=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(F)c2N1,CHEMBL291459,7.6
+O=C1Cc2c(cccc2OCCNCCCCc2ccccc2)N1,CHEMBL61671,8.72
+O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,CHEMBL303556,8.07
+O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(F)c2N1,CHEMBL300316,7.89
+NCCOc1cccc2c1CC(=O)N2,CHEMBL416856,6.18
+O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1,CHEMBL64524,7.39
+O=C1Cc2c(OCCNCc3ccsc3)ccc(F)c2N1,CHEMBL418510,7.62
+O=C1Cc2c(OCCNCc3ccc(F)cc3)ccc(Cl)c2N1,CHEMBL59500,5.18
+Clc1ccc(OCCNCc2ccccc2)c2c(Cl)c[nH]c12,CHEMBL294204,6.66
+Cc1ccc(CNCCOc2ccc(Cl)c3c2CC(=O)N3)cc1,CHEMBL305585,5.93
+O=C1Cc2c(OCCNCc3ccccc3)ccc(F)c2N1,CHEMBL63491,6.27
+CNCCOc1cccc2c1CC(=O)N2,CHEMBL64238,6.56
+CN(CCOc1ccc(Cl)c2c1CC(=O)N2)Cc1ccccc1,CHEMBL59501,8.1
+O=C1Cc2c(OCCNCc3ccccc3)ccc(Cl)c2N1,CHEMBL435182,5.58
+O=C1Cc2c(OCCNCc3cccs3)ccc(Cl)c2N1,CHEMBL60548,7.23
+c1ccc(CCCCNCCOc2cccc3[nH]ccc23)cc1,CHEMBL59737,9.4
+O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(F)c2N1,CHEMBL64798,6.47
+O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(Cl)c2N1,CHEMBL294538,7.39
+O=C1Cc2c(OCCNCc3cccs3)ccc(F)c2N1,CHEMBL64574,7.41
+O=C1Cc2c(OCCNCc3cccc(-c4ccccc4)c3)ccc(F)c2N1,CHEMBL418681,6.2
+O=C1Cc2c(OCCN3CCc4ccccc4CC3)ccc(Cl)c2N1,CHEMBL292253,7.77
+CN(CCOc1cccc2c1CC(=O)N2)Cc1ccccc1,CHEMBL434407,5.2
+O=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1,CHEMBL302000,5.72
+O=C1Cc2c(OCCNCCCc3c[nH]c4ccccc34)ccc(F)c2N1,CHEMBL60265,7.92
+O=C(c1c[nH]c2c(Cl)ccc(OCCNCc3ccccc3)c12)C(F)(F)F,CHEMBL60840,7.29
+CCCOC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1,CHEMBL59282,7.585
+CCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1,CHEMBL60078,7.31
+N#Cc1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1,CHEMBL58850,7.54
+N#Cc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL57953,7.335
+CCCCOc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1,CHEMBL292315,8.125
+CC(C)C(=O)Nc1cccc(N2CCN(CCCN3CC(=O)N4CCCC4C3=O)CC2)c1,CHEMBL58946,6.535
+CCCCOc1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL61545,8.79
+CCCOC(=O)c1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL58197,7.28
+COc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1,CHEMBL301637,6.87
+O=C1C2CCCCN2C(=O)CN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL294837,6.71
+Cc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL417381,7.8
+O=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL61250,8.35
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2ccccc2Oc2ccccc2)CC1,CHEMBL294074,9.22
+Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1,CHEMBL58702,7.53
+Cc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL417213,6.765
+CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1,CHEMBL293488,7.0
+CCS(=O)(=O)Nc1cccc(N2CCN(CCCCN3C(=O)C4CCCN4C3=O)CC2)c1,CHEMBL416266,7.57
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Br)c2)CC1,CHEMBL59791,8.335
+CCCOC(=O)c1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL62017,8.365
+N#Cc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL61614,8.415
+CC(C)C(=O)Nc1cccc(N2CCN(CCCCN3CC(=O)N4CCCCC4C3=O)CC2)c1,CHEMBL61904,6.735
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2ccccc2Br)CC1,CHEMBL62694,8.47
+CCCNC(=O)c1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL59892,6.445
+N#Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1,CHEMBL58006,7.835
+CCCCOc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL60973,7.89
+COc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1,CHEMBL292279,7.995
+Cc1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1,CHEMBL59778,7.445
+CC(C)C(=O)Nc1cccc(N2CCN(CCCCN3C(=O)C4CCCN4C3=O)CC2)c1,CHEMBL1202594,6.897
+O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(Br)c2)CC1,CHEMBL61473,7.475
+Nc1cccc(N2CCN(CCCCN3C(=O)C4CCCCN4C3=O)CC2)c1,CHEMBL293365,7.135
+CN1CCN(c2cccc3[nH]cnc23)CC1,CHEMBL73967,8.33
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc3[nH]cnc23)CC1,CHEMBL421130,8.92
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C=CC(C5CC45)C3C2=O)CC1,CHEMBL1202507,8.89
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202513,8.89
+O=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1,CHEMBL431295,7.43
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1202508,7.59
+O=C1C2C3C=CC(C4C=CC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1204094,7.77
+O=C1C2C3CCC(C4CCC43)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL28406,7.29
+O=C1N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C23C4C=CC(C4)C12C1C=CC3C1,CHEMBL1202520,7.85
+O=C1C2C3C=CC(CCC3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202506,7.92
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL418762,7.72
+O=C1C2C3C=CC(CCCC3)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL412258,6.91
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1202516,7.24
+O=C1C2C3C=CC(C4C=CC43)C2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL31197,7.39
+O=C1N(CCCCN2CCN(c3cnccn3)CC2)C(=O)C23C4C=CC(C4)C12C1C=CC3C1,CHEMBL1202502,6.89
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL29326,7.85
+O=C1C2C3CCC(C4CC43)C2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1,CHEMBL286242,7.59
+O=C1C2C3CCCC(CC3)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL28026,6.79
+O=C1C2C3CCC(C4CC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202494,7.85
+O=C1C2C3C=CC(C4C=CC43)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1202515,7.6
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL284203,6.72
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+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL29155,6.79
+O=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL28352,7.38
+O=C1C2C3CCCC(CC3)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1202523,7.77
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202504,7.42
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cnccn2)CC1,CHEMBL1202511,7.39
+O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL28764,8.05
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+O=C1C2C3CCCC(CC3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202527,8.3
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+Cc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1,CHEMBL43486,6.58
+CN1CCN(c2nc(-c3cccs3)cc(-c3cccs3)n2)CC1,CHEMBL43163,6.01
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+CN1CCN(c2nccc(-c3ccoc3)n2)CC1,CHEMBL42130,6.15
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+CN1CCN(c2nc(-c3ccoc3)cc(-c3ccoc3)n2)CC1,CHEMBL297785,6.21
+CN1CCN(c2nc(-c3ccoc3)cc(-c3ccco3)n2)CC1,CHEMBL42061,6.38
+CN1CCN(c2nc(-c3ccoc3)cc(-c3cccs3)n2)CC1,CHEMBL289064,5.65
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+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1,CHEMBL135135,8.35
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(C)O)c2)CC1,CHEMBL341402,7.6
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+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1,CHEMBL275045,8.23
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+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CNC3=S)c2)CC1,CHEMBL334767,7.92
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+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CC3NC(=O)NC3=O)c2)CC1,CHEMBL135377,7.72
+CC(C)Oc1ccccc1N1CCN(Cc2ccccc2CN2CCCCC2=O)CC1,CHEMBL10105,8.8
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+O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1,CHEMBL82688,6.74
+O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2,CHEMBL309992,5.94
+CN(c1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL315522,6.96
+O=C1NCN(c2ccccc2)C12CCN(CCCCOc1ccccc1)CC2,CHEMBL82436,7.52
+O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,CHEMBL79834,7.3
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1ccccc1)CC2,CHEMBL419848,7.07
+O=C1NCN(c2ccccc2)C12CCN(CCc1ccccc1)CC2,CHEMBL84079,5.99
+O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CHEMBL316004,6.52
+COc1ccc(OCCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1,CHEMBL81959,6.35
+COc1c2c(cc3ccccc13)CCC(N)C2,CHEMBL64303,5.6
+CCCN(CCC)C1CCc2c(C)ccc(OC)c2C1,CHEMBL291620,6.94
+COc1cc2ccccc2c2c1CC(N)CC2,CHEMBL304210,5.97
+COc1ccc(C)c2c1CC(N)CC2,CHEMBL60049,6.36
+CCCN(CCC)C1CCc2cc3ccccc3c(O)c2C1,CHEMBL62297,5.6
+CCCN(CCC)C1CCc2c(c(OC)cc3ccccc23)C1,CHEMBL62776,5.89
+CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@H]21,CHEMBL98305,7.52
+CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21,CHEMBL70565,5.78
+c1ccc(OCCCN2CCN(c3cccc4ccoc34)CC2)cc1,CHEMBL545722,9.07
+O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)C1CCCCC1,CHEMBL93421,9.36
+c1ccc(CCN2CCN(c3cccc4c3OCCO4)CC2)cc1,CHEMBL538273,9.33
+c1ccc(OCCN2CCN(c3cccc4ccoc34)CC2)cc1,CHEMBL543141,9.34
+c1ccc(OCCN2CCN(c3cccc4c3OCCO4)CC2)cc1,CHEMBL542906,9.14
+c1ccc(OCCCN2CCN(c3cccc4c3OCCO4)CC2)cc1,CHEMBL545721,9.02
+O=C(NCCN1CCN(c2cccc3ccoc23)CC1)C1CCCCC1,CHEMBL92242,9.7
+c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)cc1,CHEMBL92745,7.55
+c1ccc(CCCCN2CCN(c3cccc4c3OCCO4)CC2)cc1,CHEMBL543139,9.49
+O=C(CCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1,CHEMBL543377,8.86
+c1ccc(CN2CCN(c3cccc4ccoc34)CC2)cc1,CHEMBL542184,7.66
+c1ccc(CCN2CCN(c3cccc4ccoc34)CC2)cc1,CHEMBL545720,9.43
+O=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1,CHEMBL541077,9.0
+O=C(CCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccccc1,CHEMBL542671,9.17
+c1ccc2c(c1)OCC(CN1CCN(c3cccc4ccoc34)CC1)O2,CHEMBL96595,8.24
+c1ccc2c(c1)OCC(CN1CCN(c3cccc4c3OCCO4)CC1)O2,CHEMBL543138,8.4
+COc1ccc2[nH]cc(C3=CCCNC3)c2c1,CHEMBL101487,8.24
+CN1CCC=C(c2c[nH]c3ccc(Br)cc23)C1,CHEMBL100937,7.3
+CCN1CCC=C(c2c[nH]c3ccc(OC)cc23)C1,CHEMBL98059,7.15
+CN1CCC=C(c2c[nH]c3ccc(Cl)cc23)C1,CHEMBL102117,6.95
+CCCN1CCC=C(c2c[nH]c3ccc(C#N)cc23)C1,CHEMBL100240,6.52
+CN1CCC=C(c2c[nH]c3ccccc23)C1,CHEMBL329042,6.58
+CCN1CCC=C(c2c[nH]c3ccc(Cl)cc23)C1,CHEMBL101258,7.33
+CN1CCC=C(c2c[nH]c3ccc(C#N)cc23)C1,CHEMBL101496,6.89
+CCN1CCC=C(c2c[nH]c3ccc(C#N)cc23)C1,CHEMBL101571,6.73
+CCN1CCC=C(c2c[nH]c3ccc(C)cc23)C1,CHEMBL322459,7.38
+CCCN1CCC=C(c2c[nH]c3ccc(C(=O)OC)cc23)C1,CHEMBL100184,6.67
+CC(=O)Nc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1,CHEMBL100814,7.8
+CCCN1CCC=C(c2c[nH]c3ccc(C(N)=O)cc23)C1,CHEMBL103515,8.33
+CCCN1CCC=C(c2c[nH]c3ccccc23)C1,CHEMBL100540,6.25
+CCCN1CCC=C(c2c[nH]c3ccc(Br)cc23)C1,CHEMBL100634,6.72
+CC(=O)c1ccc2[nH]cc(C3=CCCN(C)C3)c2c1,CHEMBL101443,7.04
+CCCN1CCC=C(c2c[nH]c3ccc(NC(C)=O)cc23)C1,CHEMBL103514,6.69
+CCN1CCC=C(c2c[nH]c3ccccc23)C1,CHEMBL99802,6.67
+Cc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1,CHEMBL101310,7.14
+COc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1,CHEMBL100621,7.1
+CCN1CCC=C(c2c[nH]c3ccc(Br)cc23)C1,CHEMBL318025,7.62
+COC(=O)c1ccc2[nH]cc(C3=CCCN(C)C3)c2c1,CHEMBL100700,6.99
+CN1CCC=C(c2c[nH]c3ccc(C(N)=O)cc23)C1,CHEMBL101051,8.42
+CN1CC[C@@H]2CCc3[nH]c4ccccc4c3[C@H]2C1,CHEMBL103763,5.63
+CCCN1CCC=C(c2c[nH]c3ccc(OC)cc23)C1,CHEMBL101618,6.65
+CN1CCC=C(c2c[nH]c3ccc(O)cc23)C1,CHEMBL101328,6.84
+CCN1CCC=C(c2c[nH]c3ccc(F)cc23)C1,CHEMBL102207,6.85
+CN1CCC=C(c2c[nH]c3ccc(F)cc23)C1,CHEMBL101970,6.91
+COc1cc(C(F)(F)F)c(OC)cc1CC(C)N,CHEMBL6620,5.65
+COc1cc(C(F)(F)F)c(OC)cc1CCN,CHEMBL136354,5.47
+CCCN(C/C=C/I)C1CCc2cc(O)ccc2C1,CHEMBL336851,6.53
+CCCN(C/C=C/I)C1COc2ccc(O)cc2C1,CHEMBL138015,5.9
+CCCN(C/C=C/I)C1COc2c(O)cccc2C1,CHEMBL133085,6.21
+CCCN(C/C=C/I)C1CCc2c(O)cccc2C1,CHEMBL263282,7.32
+COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1,CHEMBL327198,7.62
+CCN1CCN(c2ccccc2OC)CC1,CHEMBL91689,6.69
+COc1ccccc1N1CCN(CCn2nnc3ccccc32)CC1,CHEMBL418953,7.38
+CCCN1CCN(c2ccccc2OC)CC1,CHEMBL92887,6.6
+CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL26789,7.065
+COc1ccccc1N1CCN(CCCCn2nnc3ccccc32)CC1,CHEMBL93454,7.77
+COc1ccccc1N1CCN(CCCCn2nc3ccccc3n2)CC1,CHEMBL93781,8.4
+COc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1,CHEMBL92886,7.39
+Fc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL349034,8.35
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cccnc4)CC3)CC2)nc1,CHEMBL164723,8.02
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1,CHEMBL309623,5.28
+c1ccc(N2CCN(C[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165664,7.39
+CN(CCc1ccccc1)CC[C@H]1CC[C@H](Nc2ncccn2)CC1,CHEMBL164979,7.04
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)nc1,CHEMBL355371,8.66
+c1cnc(N[C@H]2CC[C@H](CCN3CCc4ccccc4C3)CC2)nc1,CHEMBL165440,7.36
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165679,8.46
+COc1ccccc1N1CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)CC1,CHEMBL164792,9.3
+COc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL351617,7.89
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ncccn4)CC3)CC2)nc1,CHEMBL349980,8.07
+Clc1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1Cl,CHEMBL350352,7.12
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccncc4)CC3)CC2)nc1,CHEMBL166151,6.14
+FC(F)(F)c1cccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1,CHEMBL165056,7.89
+C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1,CHEMBL164604,8.41
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4nccs4)CC3)CC2)nc1,CHEMBL166252,8.0
+O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1,CHEMBL78791,7.24
+c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncnc5ccccc45)CC3)CC2)cc1,CHEMBL349426,7.13
+c1ccc(N2CCN(CC[C@H]3CC[C@@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL3084971,8.72
+c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1,CHEMBL165689,7.54
+c1ccc(N2CCN(CCC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1,CHEMBL165140,7.8
+CN(c1ncccn1)[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL165047,8.33
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL10417,6.25
+CC(C)Oc1ccccc1N1CCN(Cc2ccccc2C(=O)N2CCCCC2)CC1,CHEMBL10327,8.17
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,5.63
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O,CHEMBL49851,7.25
+COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1,CHEMBL301078,7.79
+Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O,CHEMBL51074,7.67
+COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1,CHEMBL301726,6.91
+c1ccc(CNCCOc2cccc3[nH]ccc23)cc1,CHEMBL64283,7.74
+O=C(c1c[nH]c2cccc(OCCNCc3ccccc3)c12)C(F)(F)F,CHEMBL60783,7.52
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL313744,7.31
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL85580,7.74
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314372,8.7
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL262167,7.01
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314813,8.15
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1,CHEMBL87745,7.15
+O=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL312982,6.03
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL433345,6.15
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL314371,8.3
+COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314814,5.22
+COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL87469,8.52
+CC(=O)NCc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL169702,8.22
+CC(=O)NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1,CHEMBL170307,6.85
+CC(=O)NCc1ccc(CCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL352617,7.48
+Nc1nc(-c2ccc(CCCCN3CCN(c4ccccc4)CC3)cc2)cs1,CHEMBL171316,8.42
+CC(=O)NCc1ccc(CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL353678,8.54
+CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL422,6.39
+Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)ccc1CN1CCCCC1=O,CHEMBL153451,7.46
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1,CHEMBL346168,8.77
+CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL347334,7.52
+CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL153136,8.74
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL153490,7.76
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1,CHEMBL434512,8.27
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304767,10.4
+CCCNC1CCc2ccc3[nH]ccc3c2C1,CHEMBL305976,8.49
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69943,8.72
+C=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304984,9.52
+CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71640,9.22
+CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69729,8.6
+c1ccc(CCCNCC2CCc3ccc4[nH]ccc4c3C2)cc1,CHEMBL70980,8.47
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL420191,8.57
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1744041,8.44
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788198,9.22
+CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71469,9.15
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL2112317,8.82
+CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70680,9.22
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL72062,10.0
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL306197,8.54
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL423127,8.55
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3,CHEMBL69560,9.1
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL70606,8.72
+C=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL309121,8.34
+O=Cc1c[nH]c2ccc3c(c12)CC(N1CCCC1)CC3,CHEMBL308934,10.15
+CCCN(CCC)CC1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70970,7.38
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL72285,9.15
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744039,8.96
+CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL312525,9.0
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL305837,8.92
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL303921,9.1
+CCCN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71409,7.85
+CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744040,8.82
+O=Cc1c[nH]c2ccc3c(c12)CC(N1CCCCCC1)CC3,CHEMBL306198,9.62
+CN(C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788196,7.74
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL420748,7.92
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1788200,9.7
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71145,9.22
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCCCC1)C3,CHEMBL73112,7.82
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1,CHEMBL71920,8.77
+CCCN(CCC)C1CCc2ccc3c(c2C1)N(C=O)CC3,CHEMBL68523,6.26
+CCCN(CCC)C1CCc2ccc3c(CC(F)(F)F)c[nH]c3c2C1,CHEMBL110032,5.06
+CCCN(CCC)C1CCc2ccc3c(c2C1)NCC3,CHEMBL109268,6.39
+CCCN(CCC)C1CCc2ccc3cc[nH]c3c2C1,CHEMBL308143,6.66
+CCCN(CCC)C1CCc2cc3c(C=O)c[nH]c3cc2C1,CHEMBL113378,5.33
+CCCN(CCC)C1CCc2ccc3c(C=O)c[nH]c3c2C1,CHEMBL325837,5.17
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1,CHEMBL71474,8.64
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1,CHEMBL70985,8.15
+CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL71091,7.85
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL304573,8.43
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1,CHEMBL71139,8.14
+CCCNC1CCc2cc(F)ccc2C1,CHEMBL302373,6.87
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1,CHEMBL302263,7.7
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL307521,7.31
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL70652,9.1
+CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1,CHEMBL70882,6.6
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1,CHEMBL302994,8.07
+CCCN(CCC)C1CCc2ccc3[nH]cc(CN(C)C)c3c2C1,CHEMBL71454,6.95
+CCCN(CCC)C1CCc2cc(F)c3c(c(C=O)cn3C)c2C1,CHEMBL71319,7.55
+CCCN(CCC)C1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1,CHEMBL303269,7.96
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL71247,7.77
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL71395,7.85
+CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1,CHEMBL306869,7.89
+CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL305743,8.85
+CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1,CHEMBL71299,7.4
+CCCN(CCC)C1CCc2c(ccc(F)c2N)C1,CHEMBL71676,6.91
+CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1,CHEMBL69562,7.89
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL70710,8.82
+CCCc1c[nH]c2c(F)cc3c(c12)CC(N(CCC)CCC)CC3,CHEMBL71663,7.96
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL441256,9.3
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL70431,7.62
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL71176,9.52
+Clc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1,CHEMBL89677,7.61
+COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1,CHEMBL88715,8.29
+FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCN4C3)CC2)c1,CHEMBL89950,7.54
+FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1,CHEMBL90165,7.91
+COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1,CHEMBL315472,7.76
+COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1,CHEMBL89380,7.86
+FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1,CHEMBL90384,7.82
+Clc1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1,CHEMBL424432,7.55
+COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1,CHEMBL88594,7.91
+FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCCN4C3)CC2)c1,CHEMBL314997,7.61
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL311015,9.64
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL312339,9.54
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1,CHEMBL79261,9.15
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,5.03
+C=CCOc1ccc2c3c1CCN(C)CC3CCC2,CHEMBL1203601,6.2
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2CC1,CHEMBL1203625,7.6
+CN1CCc2cccc3c2C(CCC3)C1,CHEMBL1203623,7.3
+CCN1CCc2c(Cl)ccc3c2C(CCC3)C1,CHEMBL346122,7.8
+CN1CCc2cccc3c2C(CCCC3)C1,CHEMBL1203629,6.4
+CN1CCc2c(Cl)ccc3c2C(CCC3)C1,CHEMBL345214,8.0
+c1cc2c3c(c1)CCNCC3CCC2,CHEMBL1203645,6.7
+CN1CCc2cccc3c2[C@H](CCC3)C1,CHEMBL1203624,7.5
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2c(Cl)ccc3c2C(CCC3)C1,CHEMBL160918,8.1
+CN1CCc2c(Cl)ccc3c2C(CC3)C1,CHEMBL1202289,7.6
+c1ccc(CCN2CCc3cccc4c3C(CCC4)C2)cc1,CHEMBL1203596,6.1
+CN1CCc2ccc(Cl)c3c2C(CC3)C1,CHEMBL156229,7.6
+CCN1CCc2cccc3c2C(CCC3)C1,CHEMBL1203600,7.3
+CN1CCc2ccc(Cl)c3c2C(CCCC3)C1,CHEMBL1202292,5.3
+CN1CCc2c(Cl)ccc3c2[C@H](CCC3)C1,CHEMBL345810,8.2
+CN1CCc2cccc(Cl)c2CC1,CHEMBL123349,7.0
+CN1CCc2cccc3c2[C@@H](CCC3)C1,CHEMBL1203644,7.2
+CN1CCc2ccc(Cl)c3c2[C@H](CCC3)C1,CHEMBL346276,7.3
+CCCN1CCc2cccc3c2C(CCC3)C1,CHEMBL1203598,7.3
+COc1ccc2c3c1CCN(C)C3CCC2,CHEMBL1203614,5.5
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc3c2C(CCC3)C1,CHEMBL1203595,7.4
+COc1ccc2c3c1CCN(C)CC3CC2,CHEMBL1202290,7.0
+COc1ccc2c3c1CN(C)CC3CCC2,CHEMBL1203611,6.7
+CN1CCc2c(Cl)ccc3c2C(CCCC3)C1,CHEMBL158505,7.1
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc(Cl)c2CC1,CHEMBL155823,8.3
+C=CCN1CCc2c(OC)ccc3c2C(CCC3)C1,CHEMBL1203597,7.9
+CN1CCc2cccc3[nH]cc(c23)C1,CHEMBL1237145,7.0
+CN1CCc2c[nH]c3cccc(c23)C1,CHEMBL1203613,5.9
+C=CCN1CCc2cccc3c2C(CCC3)C1,CHEMBL1203631,7.7
+CN1CCc2cccc3c2C(CC3)C1,CHEMBL1202288,7.8
+CCCN1CCc2c(Cl)ccc3c2C(CCC3)C1,CHEMBL348058,7.5
+CN1CCc2c(Cl)ccc3[nH]cc(c23)C1,CHEMBL1202291,7.5
+COc1ccc2c3c1CN(C)CCC3CCC2,CHEMBL1203612,5.2
+CN1CCc2ccc(Cl)c3c2[C@@H](CCC3)C1,CHEMBL160186,6.9
+COc1ccc2c3c1CCN(C)CC3CCC2,CHEMBL1203603,7.6
+CN1CCc2c(O)ccc3c2C(CCC3)C1,CHEMBL1203602,6.5
+C=CCN1CCc2c(Cl)ccc3c2C(CCC3)C1,CHEMBL156585,8.1
+CN1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1,CHEMBL160607,7.7
+CN1CCc2ccc(Cl)c3c2C(CCC3)C1,CHEMBL348273,7.1
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12,CHEMBL84165,4.17
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12,CHEMBL86223,4.83
+COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC,CHEMBL97698,5.16
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL342062,4.89
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL423294,5.21
+CC1CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O,CHEMBL135888,6.82
+CC1=CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O,CHEMBL136748,7.2
+CC1(C)CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C(=O)C1,CHEMBL135880,8.33
+O=C1CCCC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL132600,6.46
+O=C1C2CC=CCC2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL137482,8.0
+Cc1ccc2c(c1)C(=O)N(CCN1CCN(c3cccc4c3OCCO4)CC1)C2=O,CHEMBL135885,8.32
+O=C1CCC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL137061,6.96
+O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL81733,7.495
+O=C1C2=C(CCCC2)C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL138596,8.19
+O=C1C=CC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL136493,6.01
+O=C1C2CCCCC2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL136494,8.42
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL335401,9.15
+C=CCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL25857,8.02
+CCCN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1,CHEMBL25812,6.44
+CN1CC=C(c2c[nH]c3ccc(S(C)(=O)=O)cc23)CC1,CHEMBL287655,6.73
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.7
+CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1,CHEMBL26018,9.0
+COc1ccccc1OCC(O)CN(C)C,CHEMBL27649,5.52
+CC(C)NCC(O)COc1ccccc1,CHEMBL7154,6.77
+O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2ncccn2)CC1,CHEMBL27314,6.67
+CC(C)(C)NCC(O)COc1ccc2c(c1)C[C@H](O)[C@H](O)C2,CHEMBL26626,5.97
+Oc1ccc2cccc(N3CCNCC3)c2c1,CHEMBL24462,8.48
+CCCN1CC=C(c2c[nH]c3ccc(NC(C)=O)cc23)CC1,CHEMBL287097,7.43
+CCCN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1,CHEMBL281716,6.52
+CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL27227,7.89
+CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1,CHEMBL28339,7.82
+CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL287576,7.64
+CCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL26311,7.44
+CCCN(CCCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1,CHEMBL26926,9.3
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,8.49
+CN1CC=C(c2c[nH]c3ccc(-c4ccncc4)cc23)CC1,CHEMBL282799,7.13
+CN1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1,CHEMBL283397,6.95
+O=C(NCCN1CCN(C(=O)C2COCCO2)CC1)c1ccc(F)cc1,CHEMBL431882,8.04
+CCCN(C1COc2cccc(OC)c2C1)N1C(=O)C2CCCC2C1=O,CHEMBL26304,9.15
+C=CCc1ccccc1OCC(O)CNC(C)C,CHEMBL266195,6.93
+CN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL281937,5.0
+CN1CC=C(c2c[nH]c3ccc(-c4cccnc4)cc23)CC1,CHEMBL539159,6.7
+CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,CHEMBL27810,5.05
+CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1,CHEMBL26783,9.0
+COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1,CHEMBL26962,9.22
+COc1ccccc1N1CCN(CCCCNc2ccc([N+](=O)[O-])c3nonc23)CC1,CHEMBL282798,9.4
+COc1ccccc1N1CCN(CCCCc2ccccc2)CC1,CHEMBL283846,9.0
+CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,CHEMBL499,6.01
+CC(O)CN(CC(C)O)CC(O)COc1cccc2ccccc12,CHEMBL27118,5.88
+CC(=O)Oc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL27998,7.09
+CN1CC=C(c2c[nH]c3ccc(-c4ccc(F)cc4)cc23)CC1,CHEMBL26972,7.16
+CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1,CHEMBL423841,7.3
+CC(C)NCC(O)COc1cccc2[nH]c(C#N)cc12,CHEMBL26781,8.67
+C1=C(c2c[nH]c3ccccc23)CCN(Cc2ccccc2)C1,CHEMBL285157,6.035
+COc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1,CHEMBL284447,6.46
+COc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL26525,8.43
+CC(=O)Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL26322,7.11
+CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL282387,8.15
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1,CHEMBL28201,8.21
+CN1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1,CHEMBL283416,7.555
+CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1,CHEMBL26715,7.7
+CN1CC=C(c2c[nH]c3ccc(N4C(=O)c5ccccc5C4=O)cc23)CC1,CHEMBL26868,6.42
+Oc1ccc(-c2[nH]c3ccccc3c2C2=CCNCC2)nc1,CHEMBL281090,5.82
+CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1,CHEMBL280586,8.82
+CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1,CHEMBL28287,9.3
+C=CCOc1ccccc1OCC(O)CNC(C)C,CHEMBL546,7.03
+CN1CC=C(c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1,CHEMBL26980,6.16
+COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL285777,7.68
+CN(C)CCc1c[nH]c2cc3c(cc12)CCCO3,CHEMBL27156,6.22
+NCCc1c[nH]c2ccc(N)cc12,CHEMBL26305,6.15
+CN(C)CC(O)CO,CHEMBL26920,5.305
+CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,CHEMBL642,5.0
+CC(C)(C)NCC(O)COc1cccc2c1NC(=O)CC2,CHEMBL285588,6.65
+CCCN1CC=C(c2c[nH]c3ccc(C(N)=O)cc23)CC1,CHEMBL281432,7.77
+CN1CC=C(c2c[nH]c3ccc(N)cc23)CC1,CHEMBL27752,4.61
+CN1CC=C(c2c[nH]c3ccc(S(C)=O)cc23)CC1,CHEMBL28105,6.98
+CCCN(CCC)C1CCc2cccc(C(=O)C3CCCCC3)c2C1,CHEMBL282080,7.8
+CN1CC=C(c2c[nH]c3ccc(CO)cc23)CC1,CHEMBL287441,6.9
+CN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1,CHEMBL283899,7.26
+CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(O)c2C1,CHEMBL283653,7.35
+COc1ccccc1N1CCN(CCCCNC2CC3CCC2C3)CC1,CHEMBL26848,8.4
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ncccn2)CC1,CHEMBL26796,6.82
+CN1CC=C(c2c[nH]c3ccc(C(N)=O)cc23)CC1,CHEMBL283398,8.28
+COc1ccccc1N1CCN(CCCOc2cccc3ccccc23)CC1,CHEMBL27705,8.05
+CC(C)NCC(O)COc1ccc(CCOCCOC(C)C)cc1,CHEMBL26833,5.0
+CNCC(O)CO,CHEMBL286961,5.48
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,4.3
+Clc1cccc(N2CCN(C3CC3)CC2)c1,CHEMBL284888,6.8
+CN1CC=C(c2c[nH]c3ccc(-c4ccsc4)cc23)CC1,CHEMBL417470,7.6
+COCCc1ccc(OCC(O)CNC(C)C)cc1,CHEMBL13,5.0
+CCCN(CCC)CC(O)COc1cccc2ccccc12,CHEMBL416564,6.115
+CC(C)CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL25919,7.19
+CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1,CHEMBL27991,9.7
+Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2,CHEMBL26917,4.72
+CC(C)NCC(O)COc1ccccc1-n1cccc1,CHEMBL27077,7.31
+COc1ccccc1N1CCN(CCCCNC(=O)C(C)c2ccccc2)CC1,CHEMBL28342,8.0
+CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1,CHEMBL283207,8.6
+CC(CN)c1c[nH]c2ccc(O)cc12,CHEMBL281497,7.07
+COc1ccc2cccc(N3CCN(CCNC(=O)c4cccs4)CC3)c2c1,CHEMBL28000,9.25
+c1ccc2c(c1)CCC2N1CCN(c2cccc3c2OCCO3)CC1,CHEMBL283174,8.74
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccn2)CC1,CHEMBL28292,8.16
+Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1,CHEMBL280822,6.22
+CN(C)CC(O)COc1cccc2ccccc12,CHEMBL27611,6.46
+CN1CC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1,CHEMBL284107,7.26
+CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1,CHEMBL28312,9.3
+CCCCCCCCN1CCN(c2ccccc2)CC1,CHEMBL281512,7.95
+CCCN(CCC)CC(O)CO,CHEMBL27039,5.56
+C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1,CHEMBL27193,6.53
+COc1ccccc1N1CCN(CCCCNCc2ccccc2)CC1,CHEMBL283450,7.22
+COc1ccccc1N1CCN(CCc2ccccc2)CC1,CHEMBL27021,8.74
+CN1CC=C(c2c[nH]c3ccc(-c4ccccn4)cc23)CC1,CHEMBL26900,7.6
+CCCN(C1COc2cccc(OC)c2C1)N1C(=O)c2ccccc2S1(=O)=O,CHEMBL27060,9.3
+C=C=CN1CCN(c2cccc(Cl)c2)CC1,CHEMBL26430,6.6
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1,CHEMBL26975,8.7
+CN1CC=C(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL26836,7.21
+CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1,CHEMBL27650,9.3
+CCCN(CCC)C1CCc2cccc(C3CCCCC3)c2C1,CHEMBL26526,7.62
+CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,CHEMBL24,5.0
+Cc1[nH]c2ccccc2c1C1=CCN(C)CC1,CHEMBL26850,5.75
+CN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL26655,6.84
+CC(O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL280779,6.66
+CCCOCOCCc1ccc(OCC(O)CNC(C)C)cc1,CHEMBL26716,5.0
+CCCCN(CCCC)CC(O)COc1cccc2ccccc12,CHEMBL26139,6.65
+CCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL26921,6.26
+CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL27025,7.18
+COc1cccc2c1CC(N1CCCCC1)CC2,CHEMBL28174,7.11
+CCCc1ccc2c(c1CCC)CC(N(CCC)CCC)CO2,CHEMBL417290,5.0
+CN1CC=C(c2c[nH]c3ccc(C4COCCO4)cc23)CC1,CHEMBL283936,7.06
+CN1CC=C(c2c[nH]c3ccc(-c4cccs4)cc23)CC1,CHEMBL27643,7.72
+COc1ccccc1N1CCN(CCCCCc2ccccc2)CC1,CHEMBL28200,8.25
+CCCN1CC=C(c2c[nH]c3ccc(C(=O)OC)cc23)CC1,CHEMBL417841,6.42
+CN1CC=C(c2c[nH]c3ccc(C(C)(C)O)cc23)CC1,CHEMBL286264,6.73
+CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,CHEMBL1290,8.62
+CC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL281434,7.64
+COc1c(Cl)cccc1N1CCNCC1,CHEMBL284643,6.06
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL26890,8.33
+CC(C)NCC(O)COc1cccc2[nH]c(OC(=O)OC(C)C)cc12,CHEMBL27474,7.76
+CC1(C)CC(=O)N(CCCCN2CCN(c3ccccn3)CC2)C(=O)C1,CHEMBL283650,7.15
+CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1,CHEMBL280608,9.0
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL287195,8.3
+CNCC(COc1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1743758,4.18
+CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1,CHEMBL264212,6.4
+CN(C)CC(O)COc1ccccc1O,CHEMBL281330,5.31
+COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1,CHEMBL27719,7.71
+COc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL128544,6.86
+CN1CCC(c2c[nH]c3ccccc23)C(O)C1,CHEMBL130159,5.26
+CCN1CC=C(c2c[nH]c3ccc(C(=O)OC)cc23)CC1,CHEMBL131203,6.42
+CN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL341485,6.29
+CN1CC=C(c2c[nH]c3ccc(C4OCCO4)cc23)CC1,CHEMBL340175,7.06
+CN1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1,CHEMBL337381,6.26
+CN1CC=C(c2c[nH]c3ccc([Si](C)(C)C)cc23)CC1,CHEMBL128288,6.78
+CN1CCC2c3c([nH]c4ccccc34)CCC2C1,CHEMBL436568,5.63
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cc[nH]n3)n2)CC1,CHEMBL45101,9.27
+CCNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C,CHEMBL46984,9.83
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1,CHEMBL297138,9.03
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)nc1,CHEMBL47013,9.24
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1,CHEMBL46467,9.46
+CCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL431332,8.05
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1,CHEMBL46512,9.1
+N#CC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL297208,8.16
+O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cc[nH]n3)n2)CC1,CHEMBL46539,9.34
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ncccc2F)CC1,CHEMBL42832,7.82
+CCN(CC)c1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C,CHEMBL45048,8.86
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCC3)n2)CC1,CHEMBL298260,9.43
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL295025,8.78
+O=C(c1ccc(Cl)c(Cl)c1)N1CC=C(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL43097,8.22
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3cccc(Cl)c3)CC2)n1,CHEMBL42766,10.01
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1N(C)C,CHEMBL45336,9.5
+CN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL42994,8.85
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ccccn2)CC1,CHEMBL46697,7.58
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL440854,8.77
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CF)(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL45094,8.04
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-n1cccn1,CHEMBL42042,9.35
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-c1cc[nH]n1,CHEMBL42545,8.66
+CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL44118,9.67
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1,CHEMBL45423,9.7
+CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1,CHEMBL45334,9.69
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cccs3)n2)CC1,CHEMBL288244,8.91
+Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL45305,9.07
+O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL44159,9.31
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1,CHEMBL44659,9.33
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL44841,8.79
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL46971,9.61
+Cc1ccc(C(=O)N2CCC(F)(CNCc3cccc(N(C)C)n3)CC2)cc1Cl,CHEMBL295662,9.57
+O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL42393,9.55
+CC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL45205,7.43
+CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C,CHEMBL45422,10.12
+COC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL44481,7.52
+CNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL44904,8.76
+CC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,CHEMBL432498,7.45
+Cc1cc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc(N(C)C)c1,CHEMBL296289,9.25
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL43146,8.98
+Cc1ccc(N(C)C)nc1CNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1,CHEMBL46379,9.33
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL42294,9.14
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2ccccn2)CC1,CHEMBL46930,8.29
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cccs3)n2)CC1,CHEMBL42618,8.86
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1,CHEMBL360319,9.92
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cc[nH]n3)n2)CC1,CHEMBL46582,9.52
+S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1,CHEMBL3144354,8.94
+CCNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1,CHEMBL288992,9.73
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1,CHEMBL73665,7.9
+COc1ccc(OC)c(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c1,CHEMBL70866,6.6
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,CHEMBL71960,7.9
+O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL71894,6.9
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,CHEMBL294747,8.5
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1,CHEMBL423671,7.7
+COc1cc2c(cc1OC)C(CCN1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL335297,8.5
+c1ccc2c(c1)CCC2CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131011,8.76
+c1ccc2c(c1)CC(CCCN1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL130103,8.9
+c1ccc2c(c1)CCCCC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL337279,8.18
+C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2CCC1,CHEMBL128546,8.5
+c1ccc2c(c1)CC2CCN1CCN(c2cccc3ccoc23)CC1,CHEMBL132878,8.85
+C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2C1,CHEMBL130870,9.1
+C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)Cc2ccccc21,CHEMBL337036,9.27
+c1ccc2c(c1)CCC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL341391,8.8
+c1ccc2c(c1)CCCC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL132514,8.56
+c1ccc2c(c1)CC2CCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL130976,9.35
+Clc1cccc2c1CC2CCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL132657,8.43
+c1ccc2c(c1)CC2CCCN1CCN(c2cccc3ccoc23)CC1,CHEMBL335752,8.55
+c1ccc2c(c1)CC(CCN1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL129993,9.18
+c1ccc2c(c1)CC2CCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131900,8.89
+Clc1cccc2c1CC2CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL334381,8.4
+Clc1cccc2c1CC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL341390,8.65
+c1ccc2c(c1)CC2CN1CCN(c2cccc3c2OCCCO3)CC1,CHEMBL133838,8.1
+c1ccc2c(c1)CC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL130276,9.23
+C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2CC1,CHEMBL131200,8.7
+COc1cc2c(cc1OC)C(CCN1CCN(c3cccc4c3OCCO4)CC1)CC2,CHEMBL133188,8.8
+c1ccc2c(c1)CCC2CCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL130734,9.21
+c1ccc2c(c1)CC2CN1CCN(c2cccc3ccoc23)CC1,CHEMBL131324,8.1
+c1ccc2c(c1)CC2CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131198,8.75
+c1ccc2c(c1)CC(CN1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL335010,8.55
+c1ccc2c(c1)CC2CCN1CCN(c2cccc3c2OCCCO3)CC1,CHEMBL131184,8.94
+Fc1cccc2c1CC2CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131018,8.75
+COc1ccc2c(c1)C(CCN1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL129947,8.9
+c1ccc2c(c1)CC2CCCN1CCN(c2cccc3c2OCCCO3)CC1,CHEMBL337078,9.1
+c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL49247,8.75
+c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCCO4)CC1)C2,CHEMBL127216,8.42
+O=C1c2ccccc2S(=O)(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL311976,8.91
+O=C(NCCCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1,CHEMBL81095,8.98
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(-n3cccn3)ccn2)CC1,CHEMBL147321,6.19
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(Cl)ccn2)CC1,CHEMBL357655,8.04
+O=C(N1CCC(CNCc2cccc(-n3cccn3)n2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL347060,7.88
+O=C(c1cccc(F)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL358808,7.87
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(C3CCCN3)n2)CC1,CHEMBL414623,8.22
+O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(CNCc2cccc(-n3cccn3)n2)C1,CHEMBL358312,6.39
+Cc1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl,CHEMBL357773,8.85
+O=C(NCCNCc1cccc(-n2cccn2)n1)C12CC3CC(CC(C3)C1)C2,CHEMBL356134,7.56
+N#Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1,CHEMBL146394,7.75
+O=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL147522,6.88
+COc1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl,CHEMBL357522,8.04
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(Cl)n2)CC1,CHEMBL146297,8.34
+COc1ccc2[nH]cc(CCNCc3cccc(-n4cccn4)n3)c2c1,CHEMBL149208,6.18
+Fc1ccc(C(CCCNCc2cccc(-n3cccn3)n2)c2ccc(F)cc2)cc1,CHEMBL423575,6.82
+O=C(c1cccc(Cl)c1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL424309,7.0
+CCCCOc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL149120,7.73
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ncc[nH]3)n2)CC1,CHEMBL280516,8.57
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccccc3)n2)CC1,CHEMBL358258,8.13
+COc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL146868,8.46
+Clc1ccc(CN2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl,CHEMBL147869,7.75
+Cc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL147172,8.39
+O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL146563,7.48
+O=C(c1cccc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL149648,8.64
+CN(C)c1ccnc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL344303,5.58
+O=C(NCC1CCN(Cc2cccc(-n3cccn3)n2)CC1)c1cccc(Cl)c1,CHEMBL147947,5.55
+O=C(C1CCCCC1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL149148,7.53
+COc1ccc(CCNCc2cccc(-n3cccn3)n2)cc1,CHEMBL149209,5.69
+CS(=O)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL414443,7.33
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccc3)n2)CC1,CHEMBL149302,8.37
+NC(=O)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL148493,7.33
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccnc2)CC1,CHEMBL436615,6.03
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccc(-n3cccn3)n2)CC1,CHEMBL147341,8.45
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3ccnc3)n2)CC1,CHEMBL146589,8.13
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCCc2ccccn2)CC1,CHEMBL343671,7.37
+CSc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL359444,8.59
+N#Cc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL146412,7.3
+Cc1cccc(C(=O)NCCCCNCc2cccc(-n3cccn3)n2)c1,CHEMBL150184,7.85
+O=C(NCC#CCNCc1cccc(-n2cccn2)n1)c1ccc(Cl)c(Cl)c1,CHEMBL148901,6.61
+O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL341628,7.58
+CN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL149733,7.12
+O=C(c1ccc(Cl)cc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL146124,7.31
+Cn1c(=O)cnn(CCCCNCc2cccc(-n3cccn3)n2)c1=O,CHEMBL148908,6.96
+COC(=O)c1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl,CHEMBL149760,6.78
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCCC3)n2)CC1,CHEMBL146669,8.8
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccnc2)CC1,CHEMBL439631,6.38
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccc3)c2)CC1,CHEMBL150109,6.53
+Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1,CHEMBL145863,8.46
+CN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1,CHEMBL148902,6.77
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccccn2)CC1,CHEMBL348191,8.92
+O=C(c1cccc(C(F)(F)F)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL262431,8.45
+CCOc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1,CHEMBL147479,7.97
+CCCN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL149069,7.93
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccc(F)n2)CC1,CHEMBL342754,8.5
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)n2)CC1,CHEMBL146514,8.05
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)c2)CC1,CHEMBL149785,7.83
+O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL147810,6.7
+O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,CHEMBL147922,8.81
+CC(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL147119,9.2
+COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C,CHEMBL309021,4.7
+COc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL311150,6.6
+COc1ccc(C(=O)Nc2ccc(-c3ccc(C=O)cc3C)cc2)cc1CCCN(C)C,CHEMBL72700,5.3
+CCOc1ccc(NC(=O)c2ccc(OC)c(CCCN(C)C)c2)cc1,CHEMBL75771,5.2
+COc1ccc(C(=O)Nc2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1,CHEMBL306384,5.9
+COc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1,CHEMBL72981,5.9
+OCCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1,CHEMBL136108,6.3
+CN1CCN(c2nc3ncccc3n3cccc23)CC1,CHEMBL423899,7.6
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1Cl,CHEMBL90709,8.3
+COc1ccc(Oc2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88879,8.1
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1,CHEMBL313805,6.1
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1N,CHEMBL90460,6.9
+COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88858,7.7
+COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88305,8.1
+COc1cccc(C(=O)CCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL327245,6.74
+COc1cccc(C(=O)CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92121,7.43
+COc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL329228,6.07
+COc1ccc2c(c1)C(=O)N(CCN1CCN(c3ccc(Cl)cc3)CC1)CC2,CHEMBL330470,7.96
+COc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL96322,7.35
+COc1cccc2c1CCN(CCN1CCN(c3ccc(Cl)cc3)CC1)C2=O,CHEMBL96799,6.35
+COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL318747,6.29
+COc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL321557,6.98
+COc1cccc2c1CCCC2NCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2112375,6.09
+COc1ccc2c(c1)C(CCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,CHEMBL420067,6.15
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,5.38
+CCCCN(CC)CCCC1CCCc2ccccc21,CHEMBL440373,6.27
+CN(C)Cc1cccc2ccccc12,CHEMBL168577,5.47
+CCCCN(CC)CCC(=O)c1cccc2ccccc12,CHEMBL168576,5.45
+CCCCN(CC)CCCc1cccc2ccccc12,CHEMBL168966,6.52
+CN(C)CCCCc1ccccc1,CHEMBL46841,5.3
+CCCN(CCC)[C@@H]1CCc2c(C#N)cccc2[C@@H]1C,CHEMBL161812,5.3
+CCCN[C@@H]1CCc2c(C(N)=O)cccc2[C@@H]1C,CHEMBL161356,5.17
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL52096,8.26
+Cc1cc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL422788,9.1
+Cc1c(C)c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O,CHEMBL120661,8.27
+O=c1ccc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2o1,CHEMBL120590,8.25
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1,CHEMBL61096,8.11
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3O)c2)CC1,CHEMBL58517,8.52
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCC(O)C3)c2)CC1,CHEMBL58053,8.17
+O=C(c1cccc(CN2CCC(c3ccccc3)C2)c1)N1CCCCC1,CHEMBL281214,7.51
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccccc2)C1,CHEMBL28831,8.57
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccccc2)C1,CHEMBL282822,7.94
+O=C(c1cccc(CN2CCC(c3ccc(Cl)cc3)C2)c1)N1CCCCC1,CHEMBL280534,7.82
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(F)cc2)C1,CHEMBL417661,8.38
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28884,7.52
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28946,8.59
+CC[C@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL302997,8.34
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C)c2)CC1,CHEMBL177064,8.0
+COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(c3ccccc3OC)CC2)c1,CHEMBL368044,7.73
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1,CHEMBL181874,7.47
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc(-c4ccc(C)cc4)[nH]c3c2=O)CC1,CHEMBL192659,7.08
+COc1ccc(-c2cc3[nH]c(=O)n(CCCN4CCN(c5ccccc5OC)CC4)c(=O)c3[nH]2)cc1,CHEMBL190034,6.28
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1,CHEMBL415774,6.19
+O=c1[nH]c2cc[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL190384,6.25
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1,CHEMBL426817,6.71
+O=c1[nH]c2cc[nH]c2c(=O)n1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL190226,6.42
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccccc4)[nH]c3c2=O)CC1,CHEMBL192941,7.62
+O=c1[nH]c2cc(-c3ccccc3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL193999,7.46
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc(-c4ccccc4)[nH]c3c2=O)CC1,CHEMBL192119,7.65
+O=c1[nH]c2cc(-c3ccccc3)[nH]c2c(=O)n1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL192603,6.89
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccccc4Cl)[nH]c3c2=O)CC1,CHEMBL190032,7.79
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4cccc(Cl)c4)[nH]c3c2=O)CC1,CHEMBL190586,7.77
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL188176,8.83
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,6.46
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,5.85
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1,CHEMBL186112,8.91
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL186316,7.99
+CCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL361287,6.17
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL186758,8.88
+CCCN(CCC)[C@H]1COc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL182792,6.76
+O=C1Nc2cccc3c2C1(CCCCN1CCc2sccc2C1)CCC3,CHEMBL314055,6.29
+O=S(=O)(c1ccc2c(c1)CC=C2)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL362354,6.25
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.32
+Cc1cccc(C#N)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL28056,6.85
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1,CHEMBL362540,9.06
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1,CHEMBL184535,7.93
+COc1ccccc1N1CCN(C/C=C/CN2C(=O)CCC2=O)CC1,CHEMBL365412,7.54
+COc1ccccc1N1CCN(C/C=C\CN2C(=O)CCC2=O)CC1,CHEMBL186734,6.8
+COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)CCC2=O)CC1,CHEMBL185936,6.38
+COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)CCC3=O)CC2)CC1,CHEMBL187270,7.82
+COc1ccccc1N1CCN(C/C=C/CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL186334,8.3
+COc1ccccc1N1CCN(C/C=C\CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL365201,7.11
+COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL185988,6.39
+COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)c4ccccc4C3=O)CC2)CC1,CHEMBL441313,8.1
+O=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL192512,9.3
+C[C@@H]1CN(c2cccc3ccccc23)CCN1CCCCN1CC(=O)N2CCCC2C1=O,CHEMBL366206,8.38
+C[C@H]1CN(c2cccc3ccccc23)CCN1CCCCN1CC(=O)N2CCCC2C1=O,CHEMBL190284,7.82
+O=C1C2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COC=CO3)CC1,CHEMBL34288,8.51
+O=C1[C@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL427349,8.34
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL370758,8.39
+C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O,CHEMBL364241,8.02
+C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O,CHEMBL370518,8.6
+C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O,CHEMBL192875,8.2
+C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O,CHEMBL426639,8.19
+O=C1C2CCCN2C(=O)CN1CCCCN1CCN(c2cccc3c2COC=CO3)CC1,CHEMBL2113057,8.21
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3c2CC=COO3)CC1,CHEMBL372014,7.94
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3c2CC=COO3)CC1,CHEMBL192750,7.91
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ncccn2)CC1,CHEMBL192828,7.31
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ccccn2)CC1,CHEMBL191574,7.52
+COc1ccccc1N1CCN(CCON2C(=O)C3C4C=CC(C4)C3C2=O)CC1,CHEMBL192348,7.35
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2ccccc2Cl)CC1,CHEMBL426813,8.15
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL362999,7.57
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL364530,8.67
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2ncccn2)CC1,CHEMBL191221,6.42
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2ccccn2)CC1,CHEMBL365309,6.42
+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C=CC(C4)C3C2=O)CC1,CHEMBL189384,10.68
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL193182,8.38
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL189890,8.47
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL191226,8.29
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,7.79
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,7.64
+Cc1ccc(-c2nn(CCN3CCN(c4ccccc4)CC3)c(=O)c3ccccc23)cc1,CHEMBL208285,5.21
+Cc1ccc(-c2nn(CCCCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc23)cc1,CHEMBL555836,6.14
+Cc1ccc(-c2nn(CCCCCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc23)cc1,CHEMBL207665,6.17
+CCOc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL207893,6.68
+COc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL206837,7.0
+Cc1ccc(-c2nn(CCCCN3CCN(c4ncccn4)CC3)c(=O)c3ccccc23)cc1,CHEMBL207066,5.93
+Cc1ccc(-c2nn(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc23)cc1,CHEMBL208231,7.14
+Cc1ccc(-c2nn(CCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc23)cc1,CHEMBL208177,6.94
+Cc1ccc(-c2nn(CCCCN3CCN(CC4COc5ccccc5O4)CC3)c(=O)c3ccccc23)cc1,CHEMBL208517,5.71
+Cc1ccc(-c2nn(CCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c3ccccc23)cc1,CHEMBL206994,7.09
+CCOc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL207076,7.39
+COc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL207574,7.41
+Cc1ccc(-c2nn(CCCCN3CCN(c4ccccc4)CC3)c(=O)c3ccccc23)cc1,CHEMBL207573,6.35
+Cc1ccc(-c2nn(CCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c3ccccc23)cc1,CHEMBL207069,5.89
+CCOc1ccccc1N1CCN(CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL207723,6.02
+COc1ccccc1N1CCN(CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1,CHEMBL425770,6.33
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,CHEMBL209821,7.77
+COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215421,8.61
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218732,5.44
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL385371,5.77
+COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214506,6.06
+COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214762,7.13
+COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214552,6.44
+COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1,CHEMBL214694,7.28
+COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214952,7.11
+COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL215151,8.16
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2,CHEMBL217143,6.88
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2,CHEMBL383938,8.07
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL215857,6.3
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3,CHEMBL218079,6.44
+COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL439346,7.17
+COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL217469,7.95
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1,CHEMBL436955,6.0
+COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1,CHEMBL215188,6.46
+COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL214986,7.39
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,8.64
+C1=C(c2cncc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1,CHEMBL221920,8.44
+CC1(C)Cc2cccc(OCCNCc3cncc(C4=CCCC4)c3)c2O1,CHEMBL384657,9.02
+CC1(C)COc2c(OCCNCc3cccc(C4=CCCC4)c3)cccc21,CHEMBL221183,7.37
+CCC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL221131,8.26
+C1=C(c2cccc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1,CHEMBL218313,8.21
+CC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL218261,8.24
+CC1(C)Oc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL219486,8.02
+C1=C(c2cccc(CNCCOc3cccc4c3OCO4)c2)CCC1,CHEMBL441546,7.68
+C1=C(c2cccc(CNCCOc3cccc4c3OCCO4)c2)CCC1,CHEMBL375297,8.77
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CC2)c1,CHEMBL219111,7.21
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CCCC2)c1,CHEMBL413777,7.78
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCC2)c1,CHEMBL220809,7.53
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCC2)c1,CHEMBL221743,7.91
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCCC2)c1,CHEMBL221957,7.64
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccco2)c1,CHEMBL376634,7.17
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccsc2)c1,CHEMBL386988,7.46
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2cccs2)c1,CHEMBL425810,7.33
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccccc2)c1,CHEMBL218217,7.58
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,CHEMBL218166,7.19
+Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,CHEMBL220808,8.65
+Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222755,6.55
+O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21,CHEMBL225571,6.74
+O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21,CHEMBL222477,7.02
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21,CHEMBL225512,7.62
+CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL387738,5.51
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,7.28
+NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222489,6.31
+O=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL222188,6.89
+CC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374298,6.17
+N#Cc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224935,6.54
+COc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224883,6.98
+COc1ccc(OC)c(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374297,6.04
+COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL374261,6.48
+CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389718,8.42
+N#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL221513,7.78
+O=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)NC1CCCc2ccccc21,CHEMBL388970,5.59
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)NC1CCCc2ccccc21,CHEMBL222603,5.41
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL224820,8.07
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222864,8.05
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222807,6.61
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL222262,7.52
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL225441,7.14
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL224929,6.36
+COc1ccc2c(c1)C(NC(=O)CCCCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL221732,7.41
+COc1ccc2c(c1)C(NC(=O)CCCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL376531,7.1
+COc1ccc2c(c1)C(NC(=O)CCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL390062,6.8
+COc1ccc2c(c1)CCCC2NC(=O)CCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL449089,7.26
+COc1ccc2c(c1)CCCC2NC(=O)CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL426723,7.63
+COc1ccc2c(c1)CCCC2NC(=O)CCCN1CCN(c2ccccc2OC)CC1,CHEMBL221453,6.59
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL390558,7.61
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL225252,7.26
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL376662,6.6
+COc1ccccc1N1CCN(CC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL222106,6.6
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL229940,5.89
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL389842,5.2
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL228940,6.59
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228939,5.82
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL390581,5.95
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228938,5.38
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL390580,6.48
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL228882,6.37
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL228881,6.0
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL376773,5.97
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229366,7.82
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL390734,7.72
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229311,6.89
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL2448068,7.92
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL1203946,7.96
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229180,7.17
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229179,6.54
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL229124,6.5
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL389700,6.1
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229123,6.72
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL388133,7.08
+O=C(N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL232449,7.89
+O=C(CC1CC2CCC1C2)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL232247,7.43
+O=C(C1CCCCC1)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL390659,7.51
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL232246,8.52
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1,CHEMBL232036,7.84
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL232035,7.72
+O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL231825,7.33
+O=C(CC1CC2CCC1C2)N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL390037,7.68
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL408589,7.59
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1,CHEMBL398209,7.55
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL208905,8.4
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209007,8.05
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL378298,7.72
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1,CHEMBL207493,7.64
+O=C1CCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL398181,7.49
+Cc1ccccc1-c1cccc(CCN)c1,CHEMBL234885,5.83
+Cc1cccc(C)c1-c1cccc(CCN(C)C)c1,CHEMBL234881,5.65
+COc1ccccc1-c1cccc(CCN(C)C)c1,CHEMBL232792,6.27
+Cc1ccccc1-c1cccc(CCN(C)C)c1,CHEMBL395870,6.35
+COc1cccc(OC)c1-c1cccc(CCN(C)C)c1,CHEMBL232791,5.32
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL233567,6.43
+CN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL444368,8.62
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL233566,6.32
+COc1cc2c3c(c1)-c1c(ccc(C)c1O)C[C@H]3N(C)CC2,CHEMBL392447,7.67
+S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL236929,6.03
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1,CHEMBL237135,6.41
+COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1,CHEMBL237134,7.82
+c1ccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)cc1,CHEMBL396882,6.19
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL237133,7.0
+COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1,CHEMBL396881,6.75
+CC1C(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1C,CHEMBL240111,8.89
+CC1C(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1C,CHEMBL240110,8.66
+O=C1C2CC=CCC2C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL239899,8.82
+O=C1C2CC=CCC2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239898,7.47
+O=C1C2=C(CCCC2)C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL392051,9.52
+O=C1C2=C(CCCC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239897,8.23
+O=C1CCCC(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL239681,8.59
+O=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239680,8.52
+Cc1cccc(O)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL26907,4.31
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,6.43
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,6.74
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,6.44
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,6.85
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,6.14
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,6.7
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,7.77
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,7.77
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,7.51
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,8.29
+CN1CCc2ccc3c4c2[C@@]1(C)Cc1cccc(c1-4)C3,CHEMBL403844,7.39
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,5.79
+CCC1(CCCCN2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21,CHEMBL407412,7.52
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,6.815
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,5.74
+O=C1Nc2ccccc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL261209,7.18
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL259550,6.95
+CCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21,CHEMBL265927,8.01
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL408976,7.34
+COc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2,CHEMBL520262,5.58
+CN1CCc2cc(O)cc3c2[C@H]1Cc1cccc(OCCO)c1-3,CHEMBL480526,6.54
+CCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3,CHEMBL520573,6.36
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccccc1-3,CHEMBL480524,5.8
+COc1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1,CHEMBL477397,7.48
+COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1,CHEMBL476722,9.085
+COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3s2)CC1,CHEMBL477766,8.89
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1,CHEMBL477765,9.57
+COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1,CHEMBL478394,9.06
+COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3s2)CC1,CHEMBL515334,9.0
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3n2C)CC1,CHEMBL479231,9.57
+c1cnc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1,CHEMBL479027,7.83
+c1cnc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL479026,8.6
+c1ccc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1,CHEMBL517962,8.8
+c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL478413,9.11
+O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1,CHEMBL478412,7.85
+O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1,CHEMBL478411,8.02
+O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1,CHEMBL476105,7.78
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1,CHEMBL476104,9.26
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1,CHEMBL477199,9.0
+O=[N+]([O-])c1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1,CHEMBL477828,6.49
+O=[N+]([O-])c1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1,CHEMBL477827,5.77
+O=[N+]([O-])c1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1,CHEMBL514855,7.02
+COc1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1,CHEMBL476363,7.17
+COc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1,CHEMBL444988,7.51
+CCC1=CC2C(=O)N(N)C(SCCCN3CCN(c4ccccc4OC)CC3)=NC2S1,CHEMBL516590,8.13
+COc1cc2c3c(c1)-c1c(N)cccc1C[C@H]3N(C)CC2,CHEMBL506721,6.19
+CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL482276,6.82
+CN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3,CHEMBL455051,5.64
+COc1cccc([C@H]2CC[C@@H](NCCOc3ccccn3)CC2)c1,CHEMBL487359,6.43
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4cccc5ccccc45)CC3)CC2)c1,CHEMBL487360,7.13
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL485728,6.74
+COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL485729,6.32
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL521350,6.09
+COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL485929,7.03
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1,CHEMBL449277,5.25
+COc1ccc2c(c1)CCN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL293583,6.57
+COc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL294481,4.88
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL55505,5.6
+COc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL490272,7.38
+Cc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL483785,8.24
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL484979,7.43
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL484980,8.04
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL521496,8.32
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL520644,7.96
+COc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccc(OC)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL448284,7.11
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL523625,7.23
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL490472,7.39
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL485695,7.46
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1,CHEMBL519908,7.78
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL487745,7.28
+N[C@@H](CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)C(=O)O,CHEMBL511555,6.35
+N[C@H](CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)C(=O)O,CHEMBL466462,6.32
+CCOc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL489581,7.85
+CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL523774,8.17
+O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL489582,7.89
+CCOc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL522307,7.56
+CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1,CHEMBL523965,7.64
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL490613,7.21
+O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2ncccn2)CC1,CHEMBL490815,6.05
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ncccn2)CC1,CHEMBL490004,6.68
+O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2ccc3c(c2)OCCO3)CC1,CHEMBL490005,6.03
+O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccc3c(c2)OCCO3)CC1,CHEMBL491799,6.2
+COc1ccccc1N1CCN(C(=O)CCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL521629,6.5
+CCOc1ccccc1N1CCN(C(=O)CCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL478038,5.65
+CC(C)Oc1ccccc1N1CCN(C(=O)CCCn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL515645,5.81
+COc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL478039,5.68
+CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL478040,5.94
+CC(C)Oc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1,CHEMBL515945,5.72
+Oc1cc2c(c(-c3ccccc3)c1O)CCNCC2c1ccccc1,CHEMBL484352,6.11
+Cc1cccc(-c2c(O)c(O)cc3c2CCNCC3c2ccccc2)c1,CHEMBL484356,6.13
+Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNCC2c1ccccc1,CHEMBL485207,5.97
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)C12,CHEMBL472775,5.82
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C(=O)CC(C)(CC4C)C3C2=O)CC1,CHEMBL513982,7.6
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(Cc4ccccc4)CC3)C(=O)C12,CHEMBL472774,5.85
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccc(F)cc4)CC3)C(=O)C12,CHEMBL514157,6.54
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473765,7.47
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12,CHEMBL473564,7.01
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)C12,CHEMBL473411,6.1
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+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)C12,CHEMBL473197,7.04
+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4ccccc4F)CC3)C(=O)C12,CHEMBL515729,6.56
+CC1CC2(C)CC(=O)C1C1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473988,6.21
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+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)C12,CHEMBL473986,7.43
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(OCCCN3CCN(c4ccccc4F)CC3)C(=O)C12,CHEMBL473985,7.1
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+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C(C)=CC(OC(C)=O)(CC4C)C3C2=O)CC1,CHEMBL474174,7.57
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473981,6.46
+COc1ccccc1N1CCN(CCCN2C(=O)C3C4C(=O)CC(C)(CC4C)C3C2=O)CC1,CHEMBL514472,7.36
+CC(=O)OC12C=C(C)C(C(C)C1)C1C(=O)N(CCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL473781,6.53
+COc1ccccc1N1CCN(CCCN2C(=O)C3C4C(C)=CC(OC(C)=O)(CC4C)C3C2=O)CC1,CHEMBL515708,7.46
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(Cc4ccccc4)CC3)C(=O)C12,CHEMBL472983,5.56
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccc(F)cc4)CC3)C(=O)C12,CHEMBL515553,6.28
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccccc4)CC3)C(=O)C12,CHEMBL506654,7.3
+CC1CC2(C)CC(=O)C1C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12,CHEMBL473370,6.69
+COc1ccccc1N1CCN(CCCON2C(=O)C3C4C=CC(OC)(CC4)C3C2=O)CC1,CHEMBL472811,7.51
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+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL482903,7.27
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL519819,5.95
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(I)cc13)C2,CHEMBL520970,6.16
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL483316,5.7
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,CHEMBL503609,7.3
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL520301,6.79
+COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3,CHEMBL495573,7.48
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,7.74
+Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL522044,7.62
+Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl,CHEMBL497988,8.4
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,7.92
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,8.03
+N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL497604,6.06
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL462508,8.3
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,7.83
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+COc1cccc2c1C1CCN(CCCCNC(=O)C3=Cc4ccccc4CN3)CC1=N2,CHEMBL517730,6.93
+O=c1n(CCN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1,CHEMBL476248,6.33
+Cc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21,CHEMBL478073,6.2
+COc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)c1,CHEMBL476862,6.19
+COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1,CHEMBL477065,6.47
+Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1,CHEMBL477066,6.77
+Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3C)c3ccccc32)CC1,CHEMBL515789,6.43
+COc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4C)CC3)c3ccccc32)c1,CHEMBL515783,6.74
+COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476615,7.66
+COc1ccc(-n2c(=O)n(CCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476616,7.59
+COc1ccc(-n2c(=O)n(CCCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476821,7.44
+O=c1[nH]c2ccccc2n1CCN1CCN(c2ccccc2)CC1,CHEMBL514058,6.41
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+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL478680,8.47
+O=c1[nH]c2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL476462,7.08
+COc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL476463,8.22
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+COc1ccccc1N1CCN(CCCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL476464,7.48
+O=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL478905,7.32
+COc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL518752,7.92
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL479105,7.18
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL515939,6.34
+O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL477266,5.42
+O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)c1ccccc1,CHEMBL476260,5.0
+COc1ccccc1N1CCN(CCN2C(=O)CC(NC(C)=O)C2=O)CC1,CHEMBL476261,5.12
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL476062,5.13
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL478269,6.3
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL476010,6.24
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL515930,5.07
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1,CHEMBL476217,6.0
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)c2ccccc2)CC1,CHEMBL477414,5.82
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1,CHEMBL477427,5.71
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(C)=O)CC1,CHEMBL477428,5.18
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL514070,5.45
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL477027,6.46
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)C1CCCC1,CHEMBL478265,5.7
+O=C(N[C@H]1CC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL477034,6.44
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1,CHEMBL208785,6.32
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL212039,6.64
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209060,7.4
+COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL210107,7.2
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL476221,5.76
+COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2C(=O)c2ccccc2)CC1,CHEMBL478251,6.41
+COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCN2C(C)=O)CC1,CHEMBL476169,6.24
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)c1ccccc1,CHEMBL515933,7.39
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1,CHEMBL210157,7.16
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL478068,6.95
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1,CHEMBL207087,7.77
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1,CHEMBL477871,7.11
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL208735,7.72
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL377153,8.52
+COc1ccccc1N1CCN(CCN2C(=O)CCC2=O)CC1,CHEMBL476053,5.68
+O=C1CCC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL476054,5.43
+COc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1,CHEMBL514202,7.62
+O=C1CC(C2CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL477945,6.64
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1,CHEMBL60322,8.24
+O=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL514077,8.37
+O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1,CHEMBL204171,7.46
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,8.34
+COc1ccccc1N1CCN(C(=O)NC(=N)NCc2cccc3ccccc23)CC1,CHEMBL557330,6.28
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(C)CC2)c1,CHEMBL563760,5.96
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL558025,5.34
+COc1ccccc1N1CCN(C(=N)NCCNS(=O)(=O)c2cccc(C)c2)CC1,CHEMBL550740,4.98
+Cc1cccc(S(=O)(=O)NCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL561750,4.75
+COc1ccccc1N1CCN(C(=N)NCCCNS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL550881,5.01
+Cc1cccc(S(=O)(=O)NCCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL557740,4.92
+COc1ccccc1N1CCN(C(=N)NCCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL559260,4.99
+N=C(NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1,CHEMBL564509,5.68
+CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2[nH]1,CHEMBL583422,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2[nH]1,CHEMBL565707,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2[nH]1,CHEMBL568285,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4Cl)CC3)ccc2[nH]1,CHEMBL586050,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4C#N)CC3)ccc2[nH]1,CHEMBL567834,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4C)CC3)ccc2[nH]1,CHEMBL567648,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]1,CHEMBL566331,7.45
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)ccc2[nH]1,CHEMBL568284,7.85
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2[nH]1,CHEMBL566533,7.41
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(Cl)cc3)c3n(c2=O)CCCC3)CC1,CHEMBL567460,5.82
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCC3)CC1,CHEMBL567676,5.85
+O=c1c(-c2ccccc2Cl)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL572015,7.325
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL571820,7.86
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5C)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL572029,7.29
+Cc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL570259,7.11
+O=c1c(-c2ccccc2F)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL585714,7.47
+Cc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL571816,7.33
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL584114,7.84
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL570692,7.34
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccc(OC)cc56)CC4)c2=O)CCCC3)cc1,CHEMBL570848,7.98
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL571603,7.59
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL583055,7.64
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)ccn23)n(C)c1=O,CHEMBL585105,7.61
+COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565423,7.6
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1,CHEMBL585300,7.12
+COc1ccccc1N1CCN(CCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL585503,7.77
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL567496,7.77
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL566235,7.02
+COc1ccccc1N1CCN(CCCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565405,8.25
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL597601,6.797000000000001
+c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL211026,6.32
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1,CHEMBL609043,5.915
+c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210405,7.3
+Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL437490,6.92
+Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210955,6.42
+Fc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL599658,7.22
+Fc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1,CHEMBL598845,6.62
+Clc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL606400,6.21
+Fc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL599046,5.82
+Clc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL598222,5.37
+Fc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1,CHEMBL598437,6.05
+Fc1ccc(N2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)cc1,CHEMBL604916,5.5
+Oc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1,CHEMBL597412,5.1
+O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1,CHEMBL605323,5.56
+Cc1nc2ccccn2c1CN1CCN(c2ccccc2)CC1,CHEMBL597006,5.38
+CN(C)CCSc1cccc(Br)n1,CHEMBL158285,6.88
+CN(C)CCSc1cccc(-c2ccccc2)n1,CHEMBL161765,7.37
+CN(C)CCSc1cccc(-c2ccoc2)n1,CHEMBL599612,7.55
+Cc1cccc(C)c1-c1cccc(OCCN(C)C)n1,CHEMBL589524,5.14
+Cc1cccc(C)c1-c1cccc(SCCN(C)C)n1,CHEMBL597357,6.03
+CN(C)CCOc1cccc(Br)n1,CHEMBL597356,6.04
+Cc1cccc(C)c1-c1cccc(SCCN(C)C)c1,CHEMBL599423,5.63
+CN(C)CCSc1cccc(-c2ccccc2)c1,CHEMBL597981,6.29
+CN(C)CCSc1cccc(Br)c1,CHEMBL609323,6.17
+CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O,CHEMBL1097970,6.34
+COc1ccccc1N1CCN(CCCN2C(=O)NC(C)(c3ccccc3)C2=O)CC1,CHEMBL1098307,7.33
+CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL1098614,7.54
+O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098615,7.17
+COc1ccccc1N1CCN(CCCN2C(=O)NC(c3ccccc3)(C3CC3)C2=O)CC1,CHEMBL1098616,7.96
+O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1095934,7.89
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1096275,7.01
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL1096276,7.31
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1098609,7.42
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098286,7.06
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL1098287,7.64
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1096620,6.46
+N#C/N=C(\NCCCN1CCN(c2ccccn2)CC1)c1ccncc1,CHEMBL1086961,10.42
+N#C/N=C(\NCCCN1CCN(c2ncccn2)CC1)c1ccncc1,CHEMBL1086960,6.76
+N#C/N=C(\NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1,CHEMBL1086959,6.85
+N#C/N=C(\NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL1086958,8.21
+N#C/N=C(\NCCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL1087444,6.78
+Cc1cccc(N2CCN(CCCN/C(=N\C#N)c3ccncc3)CC2)c1C,CHEMBL1087319,7.0
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccncc2)CC1,CHEMBL1087182,7.67
+COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccncc2)CC1,CHEMBL1099374,8.83
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1,CHEMBL1172205,8.52
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1,CHEMBL1172204,7.32
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1,CHEMBL1172206,8.1
+Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1171823,7.8
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1,CHEMBL1171644,7.8
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL1171646,7.52
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)n1,CHEMBL1171824,8.1
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL1172734,7.72
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL1173017,7.31
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL1173018,8.7
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1,CHEMBL1173077,7.96
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1173143,9.0
+Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1,CHEMBL1241913,10.16
+O=c1c(-c2ccccc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651733,7.55
+O=c1c(-c2ccc(Cl)cc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651734,7.31
+COc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL1651735,7.7
+O=c1c(-c2ccc(F)cc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651736,7.21
+Cc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c(C)[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL1651737,6.19
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c(C)[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL566164,6.82
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783351,9.53
+O=c1c2ccccc2nnn1CCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783347,8.11
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783350,8.8
+N#C/N=C(\NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1,CHEMBL1783353,8.23
+O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL3216492,7.11
+O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3216069,7.26
+COc1ccccc1N1CCN(CCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL1812168,7.38
+Cc1ccccc1N1CCN(CCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3216072,6.29
+O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3216950,6.8
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccccc2)CC1,CHEMBL3216728,7.33
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccccc2Cl)CC1,CHEMBL1812274,7.03
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3216944,7.1
+COc1ccccc1N1CCN(CCCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3215612,7.7
+COc1cccc(N2CCN(CCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1,CHEMBL3216273,6.92
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccccc2F)CC1,CHEMBL3216487,7.26
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3216274,6.89
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3216949,6.61
+O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1,CHEMBL3215842,7.32
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3216068,7.55
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3216277,7.77
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3216729,7.47
+COc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3216945,8.22
+COc1cccc(N2CCN(CCCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1,CHEMBL3217162,7.51
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2F)CC1,CHEMBL3215835,7.2
+Cc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3216488,7.28
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1812290,6.9
+COc1ccccc1N1CCN(CCn2cnc3c(cnc4cc(C)ccc43)c2=O)CC1,CHEMBL3217163,7.85
+Cc1ccc2c(c1)ncc1c(=O)n(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cnc12,CHEMBL3216730,6.62
+Cc1ccc2c(c1)ncc1c(=O)n(CCCN3CCN(c4ccccc4)CC3)cnc12,CHEMBL3216946,6.9
+COc1ccccc1N1CCN(CCCn2cnc3c(cnc4cc(C)ccc43)c2=O)CC1,CHEMBL3216067,7.51
+Cc1ccc2c(c1)ncc1c(=O)n(CCCCN3CCN(c4cccc(Cl)c4)CC3)cnc12,CHEMBL3215838,6.76
+Cc1ccc2c(c1)ncc1c(=O)n(CCCCN3CCN(c4ccccc4F)CC3)cnc12,CHEMBL3215839,7.08
+COc1ccccc1N1CCN(CCn2cnc3c(cnc4ccc(C)cc43)c2=O)CC1,CHEMBL3216489,7.09
+Cc1ccc2ncc3c(=O)n(CCCN4CCN(c5ccccc5)CC4)cnc3c2c1,CHEMBL3216490,6.89
+COc1ccccc1N1CCN(CCCn2cnc3c(cnc4ccc(C)cc43)c2=O)CC1,CHEMBL3216947,7.59
+Cc1ccc2ncc3c(=O)n(CCCCN4CCN(c5cccc(Cl)c5)CC4)cnc3c2c1,CHEMBL3215841,7.17
+COc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccc(C)cc43)c2=O)CC1,CHEMBL3216948,8.1
+Cc1ccc2ncc3c(=O)n(CCCCN4CCN(c5ccccc5F)CC4)cnc3c2c1,CHEMBL3216491,7.01
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(Cl)cc4)cc3c2=O)CC1,CHEMBL199875,6.4
+O=c1[nH]c2[nH]c(-c3ccc(Cl)cc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL199876,5.82
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccco4)[nH]c3c2=O)CC1,CHEMBL1819452,7.54
+O=c1[nH]c2cc(-c3ccco3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819453,6.66
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(C(C)(C)C)[nH]c3c2=O)CC1,CHEMBL1819454,7.33
+CC(C)(C)c1cc2[nH]c(=O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)c2[nH]1,CHEMBL1819455,7.19
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)CC1,CHEMBL1819456,7.87
+O=c1[nH]c2c(-c3ccccc3)c[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819457,7.37
+O=c1[nH]c2c(-c3ccccc3Cl)c[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819458,7.09
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(-c4ccc(Cl)cc4)c[nH]c3c2=O)CC1,CHEMBL1819459,7.49
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(-c5ccccc5)cc4)cc3c2=O)CC1,CHEMBL1819462,5.43
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(Oc5ccccc5)cc4)cc3c2=O)CC1,CHEMBL1819464,7.77
+O=c1[nH]c2[nH]c(-c3ccc(Oc4ccccc4)cc3)cc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819465,5.33
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc3c2=O)CC1,CHEMBL1819466,6.11
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccccc4)c(-c4ccccc4)c3c2=O)CC1,CHEMBL1819470,6.33
+O=c1[nH]c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819471,5.81
+COc1ccccc1N1CCN(CCn2c(=O)c3cc(-c4ccccc4)[nH]c3n(Cc3ccccc3)c2=O)CC1,CHEMBL1819472,6.7
+O=c1c2cc(-c3ccccc3)[nH]c2n(Cc2ccccc2)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL1819473,5.99
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5OC)CC4)c(=O)n(Cc4ccccc4OC)c3[nH]2)cc1,CHEMBL1819474,6.74
+COc1ccc(-c2cc3c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)n(Cc4ccccc4OC)c3[nH]2)cc1,CHEMBL1819475,5.33
+COc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084420,5.21
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c(OC)c1,CHEMBL3084422,4.72
+COc1ccc(OC)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084423,5.02
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1OC,CHEMBL3084424,4.24
+COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084425,5.36
+COc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc(OC)c1OC,CHEMBL3084426,5.54
+COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084428,4.76
+COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349052,5.68
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-],CHEMBL3349053,4.8
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349054,5.6
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12,CHEMBL3349055,5.15
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1,CHEMBL3349056,5.55
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1ccccc1,CHEMBL3349057,4.99
+COc1cccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCO2)c1,CHEMBL3349058,4.99
+COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349059,5.34
+COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349060,5.0
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349061,5.24
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1cccc2ccccc12,CHEMBL3349062,5.51
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1ccc2ccccc2c1,CHEMBL3349063,5.48
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12,CHEMBL3349064,6.27
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1,CHEMBL3349065,6.52
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC,CHEMBL3349066,5.85
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1OC,CHEMBL3349067,5.48
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC,CHEMBL3349068,5.6
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL1836856,6.61
+O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1836857,6.93
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(Cl)c(F)c2Cl,CHEMBL1836858,6.17
+CCC1(CCCCN2CCN(c3cccc(F)c3)CC2)C(=O)Nc2ccccc21,CHEMBL1836784,7.14
+CCC1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)Nc2ccccc21,CHEMBL1836786,7.44
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1,CHEMBL1836788,7.25
+CCC1(CCCCN2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21,CHEMBL1836789,7.26
+O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccccn2)CC1,CHEMBL1836790,7.0
+O=C1Nc2ccccc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1836791,7.72
+O=C1Nc2ccc(F)cc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1836792,7.26
+CCC1(CCCCN2CC=C(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL1836793,6.91
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,5.84
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106,5.5
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,8.49
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,6.37
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,6.19
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.36
+Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,CHEMBL357995,6.82
+CC(C)NC[C@H](O)COc1cccc2[nH]ccc12,CHEMBL117405,7.8
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.82
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,5.94
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.03
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,5.93
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.75
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,5.61
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,8.33
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,6.03
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,9.35
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,6.86
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.79
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.06
+Clc1cccc(Cl)c1NC1=NCCN1,CHEMBL134,5.51
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,5.93
+CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,CHEMBL248702,5.71
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,5.79
+CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CHEMBL49080,5.82
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,9.39
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.0
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,9.42
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.21
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.15
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,8.49
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,5.53
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,5.83
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,8.07
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,6.03
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,5.99
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL1262,5.5
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,5.97
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.27
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,7.51
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,5.84
+CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,CHEMBL1201237,5.78
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.3
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.18
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,9.58
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,8.35
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,6.65
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,8.63
+COc1nc(C)nc(Cl)c1NC1=NCCN1,CHEMBL19236,6.4
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,5.76
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,7.14
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.47
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.16
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,6.51
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CHEMBL114,5.61
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1,CHEMBL1917341,8.43
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917342,7.74
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917343,7.4
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917344,7.43
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917345,7.28
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1,CHEMBL1917346,6.52
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1,CHEMBL1917347,6.63
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12,CHEMBL1917348,6.57
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1,CHEMBL1917349,6.01
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1,CHEMBL1917350,6.32
+O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cnc2ccccc2c1,CHEMBL1917351,5.84
+O=S(=O)(NCCCN1CCC2CCCCC2C1)c1ccc2ncccc2c1,CHEMBL1917352,5.37
+O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cccc2cccnc12,CHEMBL1917353,5.45
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917354,8.03
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917355,7.6
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917356,7.68
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917357,7.52
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917358,6.49
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917359,5.96
+CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917360,6.5
+COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927088,8.33
+COc1ccc(N2CCN(CCCN/C(=N\C#N)c3ccccn3)CC2)cc1,CHEMBL1927089,10.07
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927090,7.76
+Cc1cccc(N2CCN(CCCN/C(=N\C#N)c3ccccn3)CC2)c1C,CHEMBL1927092,7.52
+N#C/N=C(\NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccn1,CHEMBL1927093,6.77
+N#C/N=C(\NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1,CHEMBL1927094,8.18
+N#C/N=C(\NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1,CHEMBL1927095,8.88
+N#C/N=C(\NCCCN1CCN(c2ncccn2)CC1)c1ccccn1,CHEMBL1927096,5.51
+N#C/N=C(\NCCCN1CCN(c2ccccn2)CC1)c1ccccn1,CHEMBL1927097,7.51
+O=C1CSC(=O)N1CCCCCCCCNCC1CCc2ccccc2O1,CHEMBL1926760,7.9
+O=C1CSC(=O)N1CCCCCCNCC1CCc2ccccc2O1,CHEMBL1926759,8.89
+O=C1CSC(=O)N1CCCCCNCC1CCc2ccccc2O1,CHEMBL1926758,8.26
+O=C1C2CCCN2C(=O)N1Cc1cccc(CNCC2CCc3ccccc3O2)c1,CHEMBL1926757,7.38
+O=C1C2CCCN2C(=O)N1Cc1ccc(CNCC2CCc3ccccc3O2)cc1,CHEMBL1926756,7.55
+O=C1C2CCCN2C(=O)N1C/C=C\CNCC1CCc2ccccc2O1,CHEMBL1926754,6.94
+O=C1C2CCCN2C(=O)N1C/C=C/CNCC1CCc2ccccc2O1,CHEMBL1926753,7.57
+O=C1C2CCCN2C(=O)N1CCCCCCCCNCC1CCc2ccccc2O1,CHEMBL1926752,7.06
+O=C1C2CCCN2C(=O)N1CCCCCCNCC1CCc2ccccc2O1,CHEMBL1926751,8.23
+O=C1C2CCCN2C(=O)N1CCCCCNCC1CCc2ccccc2O1,CHEMBL1926686,7.89
+O=C1C2CCCN2C(=O)N1CCCNCC1CCc2ccccc2O1,CHEMBL1926750,8.09
+O=C1CSC(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926749,7.82
+O=C1C2CSCN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926748,7.89
+O=C1C2CCSN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926747,7.7
+O=C1C2CCCCN2C(=O)CN1CCCCNCC1CCc2ccccc2O1,CHEMBL1926746,7.47
+O=C1C2CCCN2C(=O)CN1CCCCNCC1CCc2ccccc2O1,CHEMBL1926745,7.68
+O=C1C2CCCCN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926744,8.62
+O=C1C2CCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1,CHEMBL1926735,7.44
+O=C1C2CCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1,CHEMBL1926734,8.72
+O=C1C2CCCN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926733,8.91
+O=C1C2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2n1,CHEMBL1926732,8.08
+O=C1C2CCCN2C(=O)N1CCCCNCCc1ccc2ccccc2c1,CHEMBL1926731,7.37
+O=C1C2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2c1,CHEMBL1926730,7.31
+O=C1C2CCCN2C(=O)N1CCCCNCCc1cccc2ccccc12,CHEMBL1926729,7.55
+O=S(=O)(c1cncc2ccccc12)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949977,5.49
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949976,5.08
+O=S(=O)(c1ccc2cccnc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949975,6.47
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949974,6.34
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL1949973,6.3
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12,CHEMBL1949972,6.4
+O=S(=O)(NCCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949971,5.24
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949970,6.0
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cccnc2c1,CHEMBL1949969,6.06
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ncccc2c1,CHEMBL1949968,5.69
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949967,6.11
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2cccnc12,CHEMBL1949966,7.13
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ncccc2c1,CHEMBL1949965,7.17
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL1949964,6.68
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949963,7.28
+O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949962,6.05
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1,CHEMBL2153551,9.0
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1,CHEMBL2153552,7.76
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1,CHEMBL2153553,9.07
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1,CHEMBL2153554,7.89
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1,CHEMBL2153555,8.77
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1,CHEMBL2153556,7.76
+COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1,CHEMBL2153557,8.85
+COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1,CHEMBL2153558,7.5
+COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1,CHEMBL2153559,7.54
+COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1,CHEMBL2153560,6.91
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5cccc(Cl)c5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237150,8.06
+COc1ccccc1N1CCN(CCCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL2237149,9.3
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237148,7.67
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4cccc(Cl)c4)CC3)n2CCCc2ccccc2)n(C)c1=O,CHEMBL2237147,8.0
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4cccc(Cl)c4)CC3)n2CCc2ccccc2)n(C)c1=O,CHEMBL2237146,6.68
+COc1ccccc1N1CCN(CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CHEMBL2237145,8.1
+COc1ccccc1N1CCN(CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,CHEMBL2237144,7.32
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,CHEMBL2237143,7.3
+CC(c1ccccc1)n1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237142,6.0
+CCOC(=O)Cn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237141,6.66
+Cn1cnc2c1c(=O)n(CCCN1CCN(C(c3ccccc3)c3ccccc3)CC1)c(=O)n2C,CHEMBL2237153,5.7
+Cn1c(=O)c2c(nc(NCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237152,5.8
+Cn1c(=O)c2c(nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)n(C)c1=O,CHEMBL2237151,4.965
+O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1,CHEMBL2261429,6.43
+Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL2333732,5.23
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377589,7.8
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,8.12
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,8.66
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377592,7.16
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377442,6.92
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,7.49
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377444,6.44
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,8.09
+COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377446,6.45
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377574,7.9
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377575,7.16
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377576,7.23
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377577,7.75
+COc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377578,8.49
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377579,6.79
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377580,6.54
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377581,6.96
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377582,6.97
+COc1ccc2[nH]cc(C3=CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377583,6.68
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377584,6.6
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377585,6.39
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377586,6.49
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377587,6.43
+COc1ccc2[nH]cc(C3=CCN(CCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377588,5.76
+O=c1cc(-c2ccccc2)c2ccc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387241,6.16
+Cc1cc(=O)oc2cc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387240,6.29
+Cc1cc(=O)oc2cc(OC/C=C/CN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387239,7.35
+Cc1cc(=O)oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387238,5.77
+Cc1cc(=O)oc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387237,6.48
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)c2oc1=O,CHEMBL2387233,5.51
+Cc1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc2oc(=O)cc(C)c12,CHEMBL2387232,7.72
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(Cl)cc12,CHEMBL2387231,7.76
+Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387230,7.89
+Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387229,8.48
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C)CC1,CHEMBL2387228,6.95
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1,CHEMBL2387227,6.82
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O,CHEMBL2385102,7.78
+CCCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387245,6.39
+CCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387244,5.83
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2)CC1,CHEMBL2387243,7.38
+O=c1cc(C(F)(F)F)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387267,7.37
+O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387265,7.9
+O=c1cc(CO)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387263,5.67
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1,CHEMBL2387250,6.06
+O=c1ccc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387249,6.26
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL2387248,6.99
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,CHEMBL2387258,7.94
+Cc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1C,CHEMBL2387257,7.32
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc12,CHEMBL2387256,7.81
+COc1ccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CHEMBL2387255,6.28
+COc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1,CHEMBL2387254,7.05
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL2387253,10.92
+Cc1ccc(S(=O)(=O)N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CHEMBL2387252,5.92
+Cc1cc(=O)oc2cc(OCCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)ccc12,CHEMBL2387251,6.78
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4nc5ccccc5s4)CC3)ccc12,CHEMBL2387262,6.84
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4nc5ccccc5o4)CC3)ccc12,CHEMBL2387261,5.86
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387260,8.46
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc12,CHEMBL2387259,6.95
+O=C1c2c(c(Cl)nc3ccccc23)CN1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392352,6.06
+COc1ccccc1N1CCN(CCCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1,CHEMBL2392351,8.77
+O=C1c2c(ccc3ccccc23)CN1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392350,6.31
+COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1,CHEMBL2392349,8.8
+O=c1c2cc3ccccc3[nH]c-2cn1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392348,7.24
+COc1ccccc1N1CCN(CCCCCn2cc3[nH]c4ccccc4cc-3c2=O)CC1,CHEMBL2392347,7.7
+O=C1c2c(c(Cl)nc3ccccc23)CN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392346,7.51
+COc1ccccc1N1CCN(CCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1,CHEMBL2392345,7.77
+O=C1c2c(ccc3ccccc23)CN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392344,7.51
+COc1ccccc1N1CCN(CCCCN2Cc3ccc4ccccc4c3C2=O)CC1,CHEMBL2392343,7.89
+O=c1c2cc3ccccc3[nH]c-2cn1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2392342,7.52
+COc1ccccc1N1CCN(CCCCn2cc3[nH]c4ccccc4cc-3c2=O)CC1,CHEMBL2392341,7.82
+COc1ccccc1N1CCN(CCCN2Cc3ccc4ccccc4c3C2=O)CC1,CHEMBL2392340,7.34
+COc1ccccc1N1CCN(CCCn2cc3[nH]c4ccccc4cc-3c2=O)CC1,CHEMBL2392339,6.98
+Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414358,6.8
+Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414357,7.05
+Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414356,6.74
+Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414355,6.51
+Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414354,6.96
+C[C@@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL274864,6.52
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2,CHEMBL3217244,6.66
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2,CHEMBL3216590,6.96
+COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419766,5.77
+COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419765,6.47
+COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2,CHEMBL2419772,6.79
+COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2,CHEMBL2419771,7.33
+COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1,CHEMBL2419770,7.96
+COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1,CHEMBL2419769,8.59
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2cccnc12,CHEMBL2431041,7.36
+COc1ccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c2ccccc12,CHEMBL2431040,7.57
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1,CHEMBL2431039,7.39
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2ccccc12,CHEMBL2431038,8.62
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2c1CCCC2,CHEMBL2431037,7.42
+Cc1cccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c1C,CHEMBL2431036,7.35
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc(C(F)(F)F)c1,CHEMBL2431034,7.41
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccccc1C(F)(F)F,CHEMBL2431033,6.29
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc(Br)c1,CHEMBL2431054,7.28
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccccc1Br,CHEMBL2431053,7.21
+COc1cc(F)ccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431052,7.43
+CCOc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431051,8.64
+COc1cccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c1,CHEMBL2431049,7.47
+COc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431048,8.32
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc(-c2ccccc2)c1,CHEMBL2431047,7.14
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccccc1-c1ccccc1,CHEMBL2431046,7.59
+CC(C)c1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431045,7.42
+CCc1ccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)cc1,CHEMBL2431044,6.13
+CCc1cccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c1,CHEMBL2431043,7.52
+CCc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431042,7.77
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccccc1,CHEMBL2431146,7.6
+COc1ccccc1CCCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431145,6.86
+COc1ccccc1CCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431144,7.13
+COc1ccccc1CCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431143,6.06
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(Cl)cc2c2c1CCC2,CHEMBL3120698,6.86
+O=c1oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120697,7.94
+Cc1c(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc2c3c(c(=O)oc12)CCC3,CHEMBL3120696,8.11
+O=c1oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120695,5.98
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)CC1,CHEMBL3120693,5.95
+COc1ccccc1N1CCN(CCCCOc2cc3oc(=O)c4c(c3cc2Cl)CCC4)CC1,CHEMBL3120692,7.07
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2Cl)CCC4)CC1,CHEMBL3120691,6.8
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1,CHEMBL3120690,6.46
+COc1ccccc1N1CCN(CCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120689,6.19
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120688,7.32
+O=c1oc2cc(OCCCCN3CCC(c4nc5ccccc5s4)CC3)ccc2c2c1CCC2,CHEMBL3120687,5.8
+O=c1oc2cc(OCCCCN3CCC(c4nc5ccccc5o4)CC3)ccc2c2c1CCC2,CHEMBL3120165,7.57
+O=c1oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc2c2c1CCC2,CHEMBL3120686,6.01
+O=c1oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc2c2c1CCC2,CHEMBL3120685,5.9
+COc1ccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1,CHEMBL3120684,5.91
+COc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1,CHEMBL3120683,7.65
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120682,9.7
+O=c1oc2cc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2c2c1CCC2,CHEMBL3120681,7.71
+Cc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1C,CHEMBL3120680,7.66
+O=c1oc2cc(OCCCCN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2,CHEMBL3120679,7.54
+O=c1oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c2c1CCC2,CHEMBL3120678,7.17
+O=c1oc2cc(OCCCCN3CCN(c4ccccc4)CC3)ccc2c2c1CCC2,CHEMBL3120702,7.25
+c1ccc(N2CCN(Cc3cn(-c4ccccn4)c4ccccc34)CC2)cc1,CHEMBL3121430,7.02
+COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1,CHEMBL3121422,7.77
+c1ccc(-c2ccc(-n3cc(CN4CCN(c5ccccc5)CC4)c4ccccc43)cc2)cc1,CHEMBL3121418,4.31
+O=C(NCCN1CCC(c2nc3ccccc3o2)CC1)C1COc2ccccc2O1,CHEMBL3233857,7.12
+O=C(NCCN1CCC(c2nc3ccccc3s2)CC1)C1COc2ccccc2O1,CHEMBL3233858,7.03
+O=C(NCCCN1CCC(c2nc3ccccc3o2)CC1)C1COc2ccccc2O1,CHEMBL3233859,7.08
+O=C(NCCCN1CCC(c2nc3ccccc3s2)CC1)C1COc2ccccc2O1,CHEMBL3233860,7.07
+c1ccc2c(c1)OCC(COCCCN1CCC(c3nc4ccccc4o3)CC1)O2,CHEMBL3233861,6.92
+c1ccc2c(c1)OCC(COCCCN1CCC(c3nc4ccccc4s3)CC1)O2,CHEMBL3233862,7.04
+CC1Oc2ccccc2OC1COCCCN1CCC(c2nc3ccccc3o2)CC1,CHEMBL3233863,6.82
+CC1Oc2ccccc2OC1COCCCN1CCC(c2nc3ccccc3s2)CC1,CHEMBL3233864,6.99
+c1ccc(C2Oc3ccccc3OC2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233865,7.29
+c1ccc(C2Oc3ccccc3OC2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233866,6.87
+c1ccc(C2Oc3ccccc3OC2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233867,7.77
+c1ccc(C2Oc3ccccc3OC2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233868,7.51
+c1ccc(C2Oc3ccccc3OC2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233869,6.97
+c1ccc(C2Oc3ccccc3OC2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233870,6.88
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360991,6.24
+COc1ccccc1N1CCN(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360992,6.92
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360993,6.74
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360994,7.64
+COc1ccccc1N1CCN(CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360995,8.92
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360996,9.0
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n(C)c1=O,CHEMBL3360997,7.26
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O,CHEMBL3360998,6.98
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360999,7.96
+COc1ccccc1N1CCN(CCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3361000,9.0
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361001,8.3
+Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361002,6.36
+Cn1c(=O)c2c(ncn2CCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361003,6.62
+Cn1c(=O)c2c(ncn2CCCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361004,6.77
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361005,7.66
+CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1,CHEMBL3325905,6.32
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397069,7.91
+Cc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397070,7.41
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397071,7.07
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397073,8.04
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397074,7.8
+COc1ccccc1-c1c(=O)n(CCCCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397075,8.25
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397076,6.93
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397077,6.81
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397078,7.09
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397079,6.58
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397080,6.66
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397081,6.94
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397082,6.9
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397083,6.53
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397046,6.6
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397084,6.9
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397085,6.57
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397086,6.56
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397087,6.97
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397088,7.01
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397089,7.13
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397090,6.67
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397091,7.01
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397092,7.4
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397093,6.84
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397094,7.64
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397095,7.21
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397096,7.1
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397097,7.49
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397098,7.15
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397099,7.48
+O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL574827,7.3
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423328,8.7
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423329,8.15
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423330,8.7
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423331,7.92
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423332,8.22
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423333,8.05
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)ccn23)n(C)c1=O,CHEMBL3423334,7.14
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423335,7.42
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423336,7.21
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423337,7.34
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423338,7.03
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3423340,7.66
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423377,8.7
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423378,7.24
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423379,7.1
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590098,6.95
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1,CHEMBL3590097,7.38
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590096,6.51
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590095,7.66
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590094,7.52
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1,CHEMBL3590093,8.52
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590092,7.46
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590091,8.28
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590090,7.82
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL3590089,8.66
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590088,7.89
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590087,8.22
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3589978,7.92
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL3589977,8.59
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3589976,7.12
+CC(c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1)c1nc2ccccc2o1,CHEMBL3634825,7.05
+Fc1ccc2c(C3CCN(CCCOc4ccc(CCc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634824,7.51
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6s5)cc4)CC3)noc2c1,CHEMBL3634823,5.76
+Fc1ccc2c(C3CCN(CCCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634822,6.0
+Fc1ccc2c(C3CCN(CCCOc4ccc(Cc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634821,7.67
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)c(F)c4)CC3)noc2c1,CHEMBL3634819,6.63
+COc1cc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1-c1nc2ccccc2o1,CHEMBL3634818,5.81
+Cc1cc(-c2nc3ccccc3o2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL3634817,5.67
+Cc1ccc2oc(-c3ccc(OCCCN4CCC(c5noc6cc(F)ccc56)CC4)cc3)nc2c1,CHEMBL3634815,7.12
+c1ccc2oc(-c3ccc(OCCCN4CCN(c5nsc6ccccc56)CC4)cc3)nc2c1,CHEMBL3634814,6.01
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634813,7.08
+O=C(c1ccc(F)cc1F)C1CCN(CCCOc2ccc(-c3nc4ccccc4o3)cc2)CC1,CHEMBL3634812,6.94
+c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1,CHEMBL3634811,7.25
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4o3)cc2)CC1,CHEMBL3634810,7.33
+c1ccc2oc(-c3ccc(OCCCN4CCC(c5nc6ccccc6s5)CC4)cc3)nc2c1,CHEMBL3634809,6.84
+c1ccc2oc(-c3ccc(OCCCN4CCC(c5nc6ccccc6o5)CC4)cc3)nc2c1,CHEMBL3634808,6.25
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1,CHEMBL3634806,5.7
+Cc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1C,CHEMBL3634805,5.33
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL313620,6.59
+O=C(Nc1ccc(Cl)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740925,6.52
+Cc1ccc(NC(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742070,6.56
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(CN3CCC(c4noc5cc(F)ccc45)CC3)C2)cc1,CHEMBL3740680,6.0
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741698,5.86
+O=S(=O)(c1cccs1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742136,6.78
+O=S(=O)(c1ccc2ccccc2c1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740811,5.92
+O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)c1,CHEMBL3740759,6.04
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3739523,6.0
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741292,7.77
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740256,7.66
+N#Cc1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742368,6.32
+O=S(=O)(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742391,6.1
+COc1ccc(C(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3740636,5.6
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741140,6.57
+O=C(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740807,6.8
+O=C(c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741596,6.22
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccncc1,CHEMBL3763834,8.06
+COc1ccc(N2CCN(CCNC(=O)c3ccncc3)CC2)cc1,CHEMBL192242,5.9
+CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3765463,8.32
+N#Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3764074,7.82
+Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3764772,6.26
+Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C,CHEMBL3763242,7.78
+O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL3763714,8.55
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL3764539,9.09
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3763633,6.48
+O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1,CHEMBL3765122,6.34
+O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763812,7.97
+O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3765231,6.26
+O=C(NCCN1CCN(c2ccccn2)CC1)c1ccncc1,CHEMBL3765362,8.97
+O=C(NCCN1CCN(c2ncccn2)CC1)c1ccncc1,CHEMBL3765622,6.8
+O=C(NCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccncc1,CHEMBL3764080,7.44
+O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccncc1,CHEMBL3764313,7.14
+O=C(NCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3764761,9.18
+O=C(NCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3765471,8.0
+O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1,CHEMBL3764752,8.28
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccncc1,CHEMBL3764666,7.25
+COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3765470,7.86
+COc1ccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)cc1,CHEMBL3764009,7.61
+CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3764534,8.02
+N#Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3764925,6.91
+Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3765808,5.48
+Cc1cccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)c1C,CHEMBL3764575,8.07
+O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL3764284,6.91
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL3765273,6.23
+O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3764341,6.49
+O=C(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1,CHEMBL3763558,6.66
+O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763474,6.48
+O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3764420,7.0
+O=C(NCCCN1CCN(c2ccccn2)CC1)c1ccncc1,CHEMBL3763429,7.0
+O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccncc1,CHEMBL3764177,8.04
+O=C(NCCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccncc1,CHEMBL3764390,10.95
+O=C(NCCCN1CCN(C(=O)c2ccco2)CC1)c1ccncc1,CHEMBL3765797,6.11
+O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3763331,9.89
+O=C(NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1,CHEMBL3765643,5.97
diff --git a/chembl_200/CHEMBL276.csv b/chembl_200/CHEMBL276.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6c7d46f38cf156f30e12229d55d7471168bccc78
--- /dev/null
+++ b/chembl_200/CHEMBL276.csv
@@ -0,0 +1,482 @@
+O=C(OC1CN2CCC1CC2)C(O)(CC=CI)c1ccccc1,CHEMBL2112942,9.11
+O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1,CHEMBL558910,9.82
+C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O,CHEMBL59587,5.54
+C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O,CHEMBL56734,5.8
+C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1,CHEMBL333107,6.29
+O=C1CCCN1CC#CCN1CCCC1,CHEMBL7634,6.815
+C[C@@H]1CCN(CC#CCN2CCCC2)C1=O,CHEMBL118292,6.6
+CN(C)CC#CCN1CCCC1=O,CHEMBL41779,4.985
+C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1,CHEMBL331556,5.89
+C[C@H]1CC(=O)N(CC#CCN(C)C)C1,CHEMBL120706,4.82
+C[C@@H]1CCN(CC#CCN(C)C)C1=O,CHEMBL119615,5.17
+CC1CCN(CC#CCN2CCCC2)C1=O,CHEMBL109815,6.54
+CC(=O)N(C)C(C)C#CCN1CCCC1,CHEMBL310852,7.4
+C[C@H]1CCN(CC#CCN2CCCC2)C1=O,CHEMBL118700,5.66
+C[N+](C)(C)CC#CCN1CCCC1=O,CHEMBL23957,5.92
+O=C1CCCN1CC#CCN1CCCCC1,CHEMBL118240,6.89
+COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,CHEMBL27673,7.417000000000001
+Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O,CHEMBL2103778,6.04
+Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,CHEMBL46,5.0
+Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL11768,6.01
+Fc1ccc(CCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL11497,6.16
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12375,6.05
+O=[N+]([O-])c1ccc(-c2ccc(COCCN3C4CCC3CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)C4)cc2)cc1,CHEMBL12619,6.34
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12227,6.69
+Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1,CHEMBL440272,6.73
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085022,5.48
+Fc1ccc(C(OC2CC3CCC(C2)N3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1,CHEMBL275979,6.4
+C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C,CHEMBL324725,6.25
+C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12,CHEMBL277642,7.15
+O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21,CHEMBL1788286,7.57
+CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,CHEMBL550,5.51
+COC(=O)C1=CCCN(C)C1,CHEMBL7303,4.067
+C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1,CHEMBL74300,6.22
+COC(=O)C1=CCC2CCC1N2C,CHEMBL412663,4.6
+COC(=O)C1CC2CCCC1N2,CHEMBL64788,6.59
+COC(=O)[C@H]1CC2NC1CC[C@@H]2O,CHEMBL2115494,4.74
+CC(=O)OC1CC2CCCC1N2C,CHEMBL294273,5.59
+C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O,CHEMBL59085,4.38
+C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O,CHEMBL294470,4.73
+CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12,CHEMBL1187846,9.28
+CC(C(=O)O[C@H]1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1,CHEMBL322582,7.96
+CC(=O)O[C@H]1CC2CC(C1)N(C)C2,CHEMBL111529,5.013
+CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1)N([C@H](C)c1ccccc1)C2,CHEMBL2113669,4.84
+CC(=O)O[C@@H]1CC2CC(C1)N(C)C2,CHEMBL325322,4.957
+CC(=O)O[C@H]1CC2CC(C1)N(C(C)c1ccccc1)C2,CHEMBL326453,5.56
+CN1CC2CC1C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C2,CHEMBL326640,8.91
+CC(=O)O[C@H]1CC2CC(C1)N([C@H](C)c1ccccc1)C2,CHEMBL607175,4.89
+CN1CC2CC1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2,CHEMBL110339,8.53
+CN1CC2CC1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2,CHEMBL110808,8.32
+CN1CC2CC1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,CHEMBL318812,9.66
+CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1,CHEMBL2115124,9.06
+CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1,CHEMBL2114060,9.37
+CN1CC2CC1[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2,CHEMBL2114061,8.66
+CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2,CHEMBL2114059,5.15
+CC(=O)O[C@H]1CC2CC1CN2C,CHEMBL2115122,4.76
+CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2,CHEMBL2115123,5.65
+CN1CC2CC1[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2,CHEMBL2115125,8.27
+CC(=O)OC1CC2CC1N(C)C2,CHEMBL304551,4.67
+CC(=O)O[C@@H]1CC2CC1CN2C,CHEMBL2114058,4.66
+CC(=O)OC1CC2CC1CN2Cc1ccccc1,CHEMBL67700,4.72
+CN1C2CCC1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL129193,6.7
+CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2,CHEMBL126735,6.47
+CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2,CHEMBL3084918,5.92
+CN1C2CCC1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL339614,5.6
+CN1C2CCC1CC(=CCOC(c1ccccc1)c1ccccc1)C2,CHEMBL130643,7.03
+CN1C2CCC1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2,CHEMBL415721,5.77
+CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL126235,6.89
+CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL127053,5.92
+c1ccc(CCCN2[C@H]3CC[C@@H]2C[C@H](CCOC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL3084920,7.11
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,9.16
+Fc1ccc(C(OCC[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3084919,6.77
+CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccccc1)c1ccccc1)C2,CHEMBL3084922,7.25
+CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084921,6.2
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,7.372000000000001
+Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1,CHEMBL542521,6.17
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084623,5.52
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1,CHEMBL539829,6.19
+C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL545574,6.9
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL3084870,9.01
+CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084609,6.4
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL544177,5.59
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL541612,5.06
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1,CHEMBL539821,7.02
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL3084621,6.47
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084608,5.84
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084607,5.43
+CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL542275,6.25
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL545342,6.9
+Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1,CHEMBL559215,7.04
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL543231,7.16
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL317362,5.72
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,7.987
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL42553,5.5
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL98279,6.58
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL310650,6.88
+CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL99038,5.57
+CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL95775,6.45
+CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL316634,5.36
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,CHEMBL115710,4.8
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL115253,6.25
+NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085021,5.9
+COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL370805,4.21
+CN(C)CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115370,6.43
+Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL324518,5.91
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,CHEMBL112528,6.4
+NCCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115311,5.63
+OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL326706,6.47
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL111928,5.03
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL325826,6.41
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085020,5.48
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,CHEMBL327055,6.21
+O=C(CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2)Nc1ccccc1,CHEMBL326604,5.38
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,6.267
+C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2,CHEMBL21812,10.7
+C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,CHEMBL1398637,9.89
+C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1,CHEMBL21905,11.0
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3084892,7.9
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2,CHEMBL3084882,8.43
+COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084880,8.38
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2,CHEMBL3084866,6.83
+CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084898,7.9
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2,CHEMBL3084883,8.96
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2,CHEMBL3084872,8.68
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3084873,8.27
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3084896,7.48
+Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1,CHEMBL3084888,7.33
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2,CHEMBL3084899,8.15
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2,CHEMBL3084897,7.15
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2,CHEMBL3084900,8.15
+COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1,CHEMBL3084867,7.4
+Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084881,8.57
+Cc1cc(N2CCc3ccccc3C2)cc(NC(=O)CO)n1,CHEMBL295722,4.22
+Nc1cc(N2CCc3ccccc3C2)ccn1,CHEMBL299419,6.4
+Cc1cc(N2CCc3ccccc3C2)cc(N)n1,CHEMBL48899,5.59
+CCOC(=O)C(=O)Nc1cc(N2CCc3ccccc3C2)cc(C)n1,CHEMBL441973,4.96
+Cc1cc(N2CCc3ccccc3C2)cc(NCCO)n1,CHEMBL301162,5.17
+OCCNc1cc(N2CCc3ccccc3C2)c2ccccc2n1,CHEMBL49124,5.17
+Clc1cccc2c1CN(c1ccncc1)CC2,CHEMBL48366,6.19
+CC1CN(c2ccncc2)Cc2ccccc21,CHEMBL46779,6.05
+Clc1ccc2c(c1)CN(c1ccncc1)CC2,CHEMBL48743,6.0
+c1ccc2c(c1)CCN(c1ccncc1)C2,CHEMBL51594,6.14
+Clc1cccc2c1CCN(c1ccncc1)C2,CHEMBL48915,6.18
+c1ccc2c(c1)CCN(c1ccnc3ccccc13)C2,CHEMBL50166,5.59
+C[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907642,6.41
+C[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907826,5.72
+CC(C)[C@@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL429015,5.66
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,CHEMBL12004,5.75
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,CHEMBL267562,5.41
+CC[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907825,5.84
+Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1,CHEMBL11776,6.75
+C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL417249,6.825
+C=CCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL12377,6.56
+O=[N+]([O-])c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL3084934,6.52
+CC(C)[C@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL275802,5.4
+CC[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907641,5.63
+Nc1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL3084929,6.87
+CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL11493,6.5
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL2021540,4.94
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2,CHEMBL555855,4.61
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL558823,4.96
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL544721,4.4
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2,CHEMBL557821,5.1
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL539254,4.81
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL2021528,4.74
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094050,5.02
+CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094049,5.0
+CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL538234,4.79
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL537994,4.5
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL555180,4.97
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL2094051,5.01
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL2094048,4.9
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084641,7.54
+O=CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL135982,4.91
+O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084927,6.62
+CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112510,6.11
+CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112509,6.85
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2,CHEMBL113195,7.57
+COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112515,6.21
+COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112508,6.36
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2,CHEMBL2112514,5.46
+O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2,CHEMBL2112516,5.07
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+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2,CHEMBL113144,7.33
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2,CHEMBL2112511,5.64
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2,CHEMBL112825,7.32
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+CN1CCN(c2nncc3ccccc23)CC1,CHEMBL555955,5.0
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+CN1CCCC[C@@H]1CC#CCN1CCCC1=O,CHEMBL2115361,5.92
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+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,6.0
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15456,6.3
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+O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21,CHEMBL69620,5.74
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+CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1,CHEMBL302557,5.33
+CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL70003,6.17
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+C#CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL305501,5.78
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+O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21,CHEMBL306201,7.22
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+CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL422407,4.4
+CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL70133,4.88
+NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL69287,5.36
+O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL67381,6.48
+NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL68771,5.92
+CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL422053,5.32
+NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL302544,5.93
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+CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL66177,5.02
+NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL308893,5.41
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(C(F)(F)F)c1)C2,CHEMBL3084901,8.6
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1Cl)C2,CHEMBL3084910,9.39
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1N)C2,CHEMBL3084891,8.95
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1cccc(F)c1)c1cccc(F)c1)C2,CHEMBL3084909,9.07
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+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1F)C2,CHEMBL3084869,9.37
+CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1,CHEMBL2111782,5.64
+CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL333455,5.63
+CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL368324,6.54
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.66
+OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL118919,5.2
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+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,5.68
+NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL306875,7.7
+NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL304582,7.62
+COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL68446,8.48
+CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL68292,7.28
+NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL302923,7.8
+O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21,CHEMBL66914,7.74
+CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL70154,7.12
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+CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CHEMBL303622,8.52
+CCN1C(=O)c2ccccc2N(C(=O)CN2CCN(C)CC2)c2ncccc21,CHEMBL308650,5.11
+CN1CCN(CC(=O)N2c3ccccc3C(=O)N(CCCCCCC#N)c3cccnc32)CC1,CHEMBL68880,5.05
+CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CHEMBL131865,9.3
+CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN,CHEMBL335115,6.5
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+C[C@@H]1OC2(CS1)CN1CCC2CC1,CHEMBL167593,6.095
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+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)C1CCCCC1,CHEMBL84222,4.42
+CCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL432186,4.39
+CCCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL314796,4.84
+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCCC1CCCCC1,CHEMBL313565,5.1
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+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1,CHEMBL85952,4.87
+CC(C)CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL86224,4.05
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+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccc2ccccc2c1,CHEMBL84109,5.0
+CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL83874,4.0
+CCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL84985,5.02
+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)c1ccc(C2CCCCC2)cc1,CHEMBL312957,5.32
+CC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL84278,4.22
+CCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL83905,4.19
+CC(C)C(=O)N/N=C1\CC2(CCN(C)CC2)OC1C,CHEMBL85729,4.55
+CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCc1ccccc1,CHEMBL84135,4.47
+CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2,CHEMBL542622,9.4
+CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL60542,6.65
+O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL540013,6.77
+O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL537989,5.83
+Cc1ccccc1NC(=N)Nc1ccccc1C,CHEMBL282433,6.13
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL544516,6.77
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC#CCN1CCCC1,CHEMBL368109,6.19
+CCN(CC)CC#CCN1C(=O)CC2(CCc3ccccc32)C1=O,CHEMBL368190,6.17
+CCN(CC)CC#CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,CHEMBL176012,6.42
+CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O,CHEMBL360491,6.92
+CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)C1=O,CHEMBL367436,5.64
+O=C1CC2(CCc3ccccc32)C(=O)N1CC#CCN1CCCC1,CHEMBL177259,5.8
+CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12)C(C)C,CHEMBL178323,5.79
+CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12,CHEMBL362438,6.34
+CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12,CHEMBL176228,5.79
+CCN(CC)CC#CCN1C(=O)NC2(CCc3ccccc32)C1=O,CHEMBL368568,5.98
+CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O,CHEMBL176400,7.52
+CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C,CHEMBL368792,6.28
+CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O,CHEMBL553865,6.68
+CCN1C(=O)OC2(CCNCC2)C1=O,CHEMBL555730,5.11
+CN1CCC2(CC1)OC(=S)N(c1ccccc1)C2=O,CHEMBL75045,5.4
+CCN1C(=O)OC2(CCN(C)CC2)C1=O,CHEMBL553520,5.3
+CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O,CHEMBL552656,5.82
+CN1CCC2(CC1)OC(=O)N(C)C2=O,CHEMBL542404,4.8
+CN1CCC2(CC1)OC(=O)N(c1cccc(Cl)c1)C2=O,CHEMBL74823,4.92
+CCN1C(=O)C2(CCN(C)CC2)OC1=S,CHEMBL75380,6.05
+COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O,CHEMBL554011,5.19
+C=CCN1C(=O)OC2(CCN(C)CC2)C1=O,CHEMBL419451,5.29
+CCN1C(=O)CC2(CCN(C)CC2)C1=O,CHEMBL542883,6.37
+CCCn1ncc(C2=CCCN(C)C2)n1,CHEMBL130693,7.82
+CCCCCCCCn1nnc(C2=CCCN(C)C2)n1,CHEMBL130111,7.57
+C=Cn1ncc(C2=CCCN(C)C2)n1,CHEMBL130127,7.4
+CCn1nnc(C2=CCCN(C(C)C)C2)n1,CHEMBL133680,6.57
+C=CCn1ncc(C2CCCNC2)n1,CHEMBL131777,6.817
+CC1=C(c2nnn(C)n2)CNCC1,CHEMBL440903,6.02
+CCn1cc(C2=CCCN(C)C2)nn1,CHEMBL335920,6.11
+CCn1ncc(C2=CCCN(C)C2)n1,CHEMBL131095,7.62
+CC(C)n1nnc(C2=CCCN(C)C2)n1,CHEMBL132502,7.08
+CCCCCCCn1nnc(C2=CCCN(C)C2)n1,CHEMBL130927,7.43
+CN1CCCC(c2nnn(C)n2)C1,CHEMBL131249,5.32
+CCn1nnc(C2CCCNC2)n1,CHEMBL130148,5.96
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+C#CCn1nnc(C2=CCCN(C)C2)n1,CHEMBL130688,7.36
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+CN1CCC=C(C2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1,CHEMBL449738,4.19
+CN1CCC=C(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1,CHEMBL495247,4.21
+CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1,CHEMBL494569,4.02
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+CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1,CHEMBL1097622,4.72
+Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1,CHEMBL1097623,6.38
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+CN1CCC=C(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1,CHEMBL1098607,4.19
+Cc1ccc(C2SCC(=O)N2C2=CCCN(C)C2)cc1,CHEMBL2216805,4.59
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+Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,CHEMBL522460,6.22
+C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,CHEMBL3545181,9.8
+CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,CHEMBL1464005,9.54
+O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2,CHEMBL1779047,9.49
+O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2,CHEMBL3298333,9.48
+O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2,CHEMBL3298334,9.29
+O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2,CHEMBL3298588,10.02
+O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2,CHEMBL3298589,9.72
+O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2,CHEMBL3298590,8.34
+O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2,CHEMBL3298591,9.41
+O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2,CHEMBL3298592,9.12
+O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2,CHEMBL3298593,8.06
+O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2,CHEMBL3298594,8.06
+C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2,CHEMBL3298595,10.7
+C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2,CHEMBL3298596,10.26
+C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2,CHEMBL3298597,9.43
+C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2,CHEMBL3298598,9.51
+C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2,CHEMBL3298599,10.39
+C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2,CHEMBL3298600,10.14
+C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2,CHEMBL3298601,8.64
+C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2,CHEMBL3298763,9.92
diff --git a/chembl_200/CHEMBL279.csv b/chembl_200/CHEMBL279.csv
new file mode 100644
index 0000000000000000000000000000000000000000..ead42f78461b474eea1db04a74c6db2324d8cc6d
--- /dev/null
+++ b/chembl_200/CHEMBL279.csv
@@ -0,0 +1,672 @@
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+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.7
+CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL388978,8.77
+O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1,CHEMBL101683,7.82
+Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,CHEMBL101253,7.9
+CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,CHEMBL535,8.172
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1,CHEMBL183844,8.3
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.7
+Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,CHEMBL103667,6.6
+Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,CHEMBL377300,7.59
+FC(F)(F)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1,CHEMBL381182,6.92
+FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1,CHEMBL205502,7.0
+CC(C)(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1,CHEMBL205325,6.89
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,7.0
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,7.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,7.7
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1,CHEMBL385178,8.0
+O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,CHEMBL387385,5.41
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,8.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,7.7
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL374044,8.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,8.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL373798,8.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,7.5
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,5.9
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,7.7
+Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL230686,6.11
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,8.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,7.1
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+CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1,CHEMBL394826,8.05
+CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1,CHEMBL387591,8.7
+CNC(=O)c1cc(Oc2cc(Cl)c3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1,CHEMBL425831,8.0
+CNC(=O)c1cc(Oc2cc(F)c3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1,CHEMBL230223,8.52
+CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc56)ccc4o3)ccc2Cl)CC1,CHEMBL387590,8.7
+CN1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)ccc1Cl,CHEMBL230222,8.8
+CNc1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ncn1,CHEMBL425825,7.7
+CNc1nccc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)n1,CHEMBL230109,7.6
+CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)ccc4o3)ccc2Cl)CC1,CHEMBL390175,8.44
+COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC,CHEMBL230107,9.3
+COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC,CHEMBL389963,9.3
+COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC,CHEMBL230003,9.3
+CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc(C(N)=O)c4)ccc3o2)ccc1Cl,CHEMBL230002,8.52
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1,CHEMBL425672,8.52
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCOCC5)c4)nc3c2)ccn1,CHEMBL231570,8.4
+CCN(CC)CCOc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl,CHEMBL395335,8.3
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1,CHEMBL231569,8.4
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1,CHEMBL231568,8.55
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1,CHEMBL1162958,7.92
+CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1,CHEMBL231469,8.4
+CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(CN4CCN(C)CC4)c2)n3C)ccn1,CHEMBL395334,8.0
+CSc1nccc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)n1,CHEMBL231468,6.89
+CNc1nccc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)n1,CHEMBL231467,7.4
+CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1,CHEMBL397497,8.52
+CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ncnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1,CHEMBL231371,7.77
+COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC,CHEMBL427837,9.7
+CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6ccccc56)cc4[nH]3)ccc2Cl)CC1,CHEMBL397496,8.7
+CN1CCC[C@@H]1COc1cc(Nc2nc3ccc(Oc4ccnc5ccccc45)cc3[nH]2)ccc1C(F)(F)F,CHEMBL231370,9.0
+CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(OCCN5CCCC5)cc(C(F)(F)F)c4)[nH]c3c2)ccn1,CHEMBL231270,6.54
+CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCCN5C)c4)[nH]c3c2)ccn1,CHEMBL231067,8.05
+CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCCN5C)c4)[nH]c3c2)ccn1,CHEMBL231269,8.7
+CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)F)c(OCCN(C)C)c4)[nH]c3c2)ccn1,CHEMBL231168,8.52
+CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)ccn1,CHEMBL413621,8.41
+FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccnc5[nH]ccc45)cc3[nH]2)ccc1Cl,CHEMBL427264,7.32
+COc1cc2ncnc(Oc3ccc4nc(Nc5ccc(Cl)cc5)[nH]c4c3)c2cc1OC,CHEMBL396265,8.1
+FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl,CHEMBL231066,6.8
+O=C(Nc1cccc(OC(F)(F)Cl)c1)c1ccnn1CCc1ccncc1,CHEMBL236419,7.1
+O=C(Nc1ccc(Cl)cc1)c1ccnn1CCc1ccncc1,CHEMBL397323,7.005
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnn1CCc1ccncc1,CHEMBL236205,7.075
+CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1,CHEMBL399605,6.87
+O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccnn1CCc1ccncc1,CHEMBL233823,6.785
+Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1,CHEMBL401040,9.77
+Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F,CHEMBL238737,9.8
+Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1,CHEMBL393779,9.7
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL248044,5.68
+N#Cc1cnc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL399438,6.77
+N#Cc1cnc2ccc(-c3ccc(CN)cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,CHEMBL245800,5.82
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1,CHEMBL248393,6.52
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCOCC1,CHEMBL248392,6.38
+COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC,CHEMBL401251,6.85
+COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCc1cccnc1,CHEMBL248391,7.0
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1,CHEMBL248222,6.19
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1,CHEMBL248221,6.25
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1,CHEMBL401054,6.82
+COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1,CHEMBL248220,5.59
+O=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1,CHEMBL250471,6.31
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1ccc(F)cc1,CHEMBL248820,6.87
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1ccc2c[nH]nc2c1,CHEMBL249611,7.15
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccc2c(c1)OCO2,CHEMBL249806,7.42
+Cc1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1,CHEMBL400101,6.49
+O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1,CHEMBL401153,8.7
+O=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1NCc1ccncc1,CHEMBL249194,6.59
+CCOC(=O)c1coc(-c2cccc(NC(=O)c3cccnc3NCc3ccncc3)c2)c1,CHEMBL249192,7.54
+CCc1cccc(NC(=O)c2cccnc2NCc2ccncc2)c1,CHEMBL248980,6.97
+O=C(Nc1cccc(-c2ccccc2)c1)c1cccnc1NCc1ccncc1,CHEMBL399546,7.04
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccncc1,CHEMBL248978,7.64
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cccnc1NCc1ccncc1,CHEMBL248976,7.64
+CCCCc1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1,CHEMBL400140,7.72
+O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1NCc1ccncc1,CHEMBL248781,7.77
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1,CHEMBL249179,8.05
+O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1NCc1ccncc1,CHEMBL400512,8.1
+O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1NCc1ccncc1,CHEMBL250684,8.4
+O=C(Nc1ccc(C2CCCCC2)cc1)c1cccnc1NCc1ccncc1,CHEMBL250482,8.7
+O=C(Nc1ccc(Cl)cc1)c1cncnc1NCc1ccncc1,CHEMBL250665,6.85
+O=C(Nc1ccc(Cl)cc1)c1cccnc1NCc1ccncc1,CHEMBL250228,8.1
+O=C(Nc1ccc(Cl)cc1)c1sccc1NCc1ccncc1,CHEMBL250842,6.92
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,6.2
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,8.6
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21,CHEMBL404366,8.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,8.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL271441,8.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4n[nH]c(N)c34)cc2)c1,CHEMBL272938,8.9
+Cc1cc(NC(=O)Nc2ccc(-c3ccnc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL273187,9.6
+Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL403402,9.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,CHEMBL409349,8.7
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.9
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.7
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,6.1
+COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC,CHEMBL404881,6.99
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,8.5
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL460465,7.625
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL445799,5.94
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL461293,8.7
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL460468,6.41
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL518174,6.4
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL459647,6.0
+CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL460466,6.565
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL460472,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,7.2
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.9
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.9
+COc1cc2nccc(Oc3ccc(-c4ccc(Cc5ccccc5)nn4)cc3F)c2cc1OC,CHEMBL460772,7.25
+COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccnc2cc1OCCCN1CCOCC1,CHEMBL447602,7.08
+COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL453737,6.86
+COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL461831,6.42
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL505896,6.37
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.6
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.5
+O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccncc1,CHEMBL515880,6.845
+CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1,CHEMBL475510,6.905
+O=C(Nc1ccc(Br)cc1)c1nscc1NCc1ccncc1,CHEMBL473288,7.1
+COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21,CHEMBL458333,5.8
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.7
+Clc1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1,CHEMBL522629,6.94
+FC(F)(F)c1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1,CHEMBL490968,7.075
+CC(C)c1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1,CHEMBL518652,6.825
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,8.6
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.4
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.7
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,8.3
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(OC)c2)cc1,CHEMBL1080902,5.74
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,CHEMBL1076721,5.47
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,CHEMBL1086736,6.0
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.6
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.6
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.2
+Clc1ccc(CNc2ccnc3oc4ccccc4c23)cc1,CHEMBL1290177,6.74
+c1ccc2c(CNc3ccnc4oc5ccccc5c34)cccc2c1,CHEMBL1290071,6.52
+c1ccc(CCNc2ccnc3oc4ccccc4c23)cc1,CHEMBL1289977,5.7
+c1ccc(CNc2ccnc3oc4ccccc4c23)cc1,CHEMBL1289976,6.33
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,5.45
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.35
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682348,4.88
+Clc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682349,5.57
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,5.48
+c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2s1,CHEMBL1682556,5.27
+CCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1683645,6.48
+CC1=C[C@H]2c3c(O)cc(CCCCBr)cc3OC(C)(C)[C@@H]2CC1,CHEMBL1683646,7.62
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCBr)cc1OC2(C)C,CHEMBL1683647,8.1
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCBr)cc1OC2(C)C,CHEMBL199561,9.4
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCCBr)cc1OC2(C)C,CHEMBL1683648,8.89
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C,CHEMBL1683649,7.6
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CF)C[C@@H]21,CHEMBL1683650,6.99
+CCCCCCCn1cc2c(N)ncnc2n1,CHEMBL426443,6.09
+CCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL364717,6.28
+CCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL189168,8.1
+CCCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL363042,9.89
+CCCCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL190495,9.33
+CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1,CHEMBL190239,9.55
+CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1,CHEMBL1181730,7.28
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1,CHEMBL1765781,6.37
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,7.7
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,7.07
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.6
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,6.1
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,6.4
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.8
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,8.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.9
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.1
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3Cl)n2)c1,CHEMBL1995428,6.3
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.0
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,4.9
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,6.3
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.95
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,8.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)c1,CHEMBL1996255,8.1
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.8
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,7.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.5
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.2
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,5.6
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.9
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,6.9
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,8.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,7.1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,5.9
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.3
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.2
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.9
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,5.2
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.6
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.7
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.4
+COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1,CHEMBL1979176,6.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,8.1
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.8
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,5.8
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.6
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,6.7
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.3
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,8.3
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.8
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.7
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,6.1
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.2
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.4
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.1
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.5
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,7.1
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12,CHEMBL1980904,9.1
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.4
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.3
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.9
+Cc1cc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)ccc1F,CHEMBL1986979,8.5
+NC(=O)c1cccc2[nH]c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)nc12,CHEMBL2001099,5.7
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,7.2
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,9.0
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.3
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.9
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,7.7
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,8.5
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,7.0
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,5.7
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.7
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,7.0
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.8
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,5.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.9
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(Cl)c1,CHEMBL1997892,6.5
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.7
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.6
+CCS(=O)(=O)c1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)c(OC)cc3-4)cc2)cc1,CHEMBL1992195,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,9.0
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,7.0
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.6
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.4
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,6.5
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.0
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.1
+Cc1[nH]nc2c1c(=O)n(C)c1ccccc21,CHEMBL1981183,6.2
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,6.0
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.9
+O=C(Nc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL1993510,8.5
+CS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1985433,6.1
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,4.7
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,8.3
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,7.3
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.2
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1,CHEMBL1992242,6.5
+O=c1c(NCCc2ccc(Oc3ccccc3)cc2)c(Nc2ccncc2)c1=O,CHEMBL1999321,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,8.2
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.8
+Nc1[nH]nc2c(OCCCn3cccc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL1965387,7.8
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.3
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,6.0
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.4
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,8.4
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.9
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.9
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,8.9
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,7.0
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1985888,9.2
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.6
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.9
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.7
+COc1cc(Nc2ncnc(Nc3ccn[nH]3)n2)cc(OC)c1OC,CHEMBL1965303,5.4
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.7
+NC(=O)c1cccc2[nH]c(-c3ccc(-n4ccc(CN5CCCCC5)c4)cc3)nc12,CHEMBL2006873,5.7
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,6.9
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.0
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,7.0
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.9
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.9
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.6
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.5
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,6.6
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.9
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.0
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.4
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.1
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Cl)c1,CHEMBL1999910,5.5
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.2
+CN(C)c1c(NC(=O)c2c(F)cccc2F)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1992473,5.7
+COc1cc(Nc2ncc(C(F)(F)F)c(OC)n2)cc(OC)c1OC,CHEMBL1993966,6.2
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.4
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.1
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,6.3
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.7
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,7.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,6.0
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,7.6
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.8
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,6.4
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1ccccc1F,CHEMBL1988038,6.1
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.3
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.5
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.6
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,9.2
+Cc1ccc(-c2c(C#N)c(N)nc3cc(C)nn23)cc1,CHEMBL1968565,5.4
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.1
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.0
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.1
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,8.2
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.7
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.9
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.2
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.1
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.6
+Brc1ccc2c(c1)-c1n[nH]cc1C2,CHEMBL1995172,5.3
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.7
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,5.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.5
+CCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL2005800,6.0
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.3
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.9
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.9
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.1
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,7.7
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,7.1
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.7
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.4
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,7.7
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.5
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.5
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.5
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,6.3
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,9.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,8.9
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.2
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.9
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,8.4
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.6
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,6.4
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,6.1
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,6.0
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.7
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.6
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,8.1
+Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1,CHEMBL1978973,6.3
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.1
+COc1cc(Nc2ncc(C(F)(F)F)c(N)n2)cc(OC)c1OC,CHEMBL1998724,5.4
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.3
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,6.0
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.7
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.5
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.5
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.3
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(F)c1,CHEMBL1987658,5.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.2
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.3
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,8.1
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.5
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,5.5
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.7
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.7
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.2
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.5
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.1
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,5.1
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.1
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,5.8
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12,CHEMBL1977134,7.9
+CCn1c(=C(C#N)C(=O)O)sc(=CNc2ccccc2)c1=O,CHEMBL1986996,5.4
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,5.9
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,5.6
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.4
+O=C1Nc2ccccc2Nc2cc(-c3ccccc3O)ccc21,CHEMBL1974365,7.1
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.0
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,8.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.1
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,5.3
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,5.7
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.2
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,5.9
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.7
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.8
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1,CHEMBL1985491,7.5
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.3
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,6.7
+O=C(Nc1nc2c(O)cccc2s1)Nc1ccccc1-c1ccccc1,CHEMBL2002690,6.9
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.9
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.7
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,6.4
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.1
+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,6.4
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4n[nH]c(N)c34)cc2)c1,CHEMBL2007266,7.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.4
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,8.0
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.6
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.1
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.7
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.1
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,6.9
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,7.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.6
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.9
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.8
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.7
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.5
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.7
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,8.0
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,6.8
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,5.4
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,7.7
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.6
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,7.6
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,5.6
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.8
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,5.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,8.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.6
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.2
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.7
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.6
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,7.3
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.9
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.2
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,6.0
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,7.0
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.8
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,5.4
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.9
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.1
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.8
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21,CHEMBL1966836,8.9
+CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(=O)(O)O,CHEMBL415049,6.5
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,8.5
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,4.8
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,5.6
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.2
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,5.6
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.0
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,7.2
+Nc1ncnc2sccc12,CHEMBL1972934,4.3
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,7.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.7
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.0
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.3
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.9
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,5.9
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,6.2
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.8
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,5.1
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,5.9
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,5.7
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,8.0
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.1
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.5
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,7.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,8.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1994638,8.1
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,5.9
+Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,6.4
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.4
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.2
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,6.0
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.6
+CCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1977652,5.5
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.4
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.3
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,5.7
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.1
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.9
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.3
+O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O,CHEMBL536151,5.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.3
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.1
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,7.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.0
+O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,5.7
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,8.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12,CHEMBL2000652,8.5
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,8.4
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,5.1
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,9.0
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.8
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O,CHEMBL487402,6.1
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,8.2
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.3
+c1ccc(C2CCc3[nH]ncc32)cc1,CHEMBL1965683,4.3
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.9
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,8.4
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,7.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,5.1
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,5.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12,CHEMBL1973178,9.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)c(F)c2)c1,CHEMBL1988778,7.9
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,6.0
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.8
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.8
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,6.0
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.7
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.0
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,8.1
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,7.8
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.9
+N#Cc1cnc2c(Br)cnn2c1N,CHEMBL1991095,4.0
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3Cl)n2)c1)c1ccccc1,CHEMBL2005824,6.1
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.3
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.8
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,8.3
+Cc1[nH]nc2c1C(c1ccccc1I)C(C#N)C(=N)O2,CHEMBL1979318,5.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,5.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.4
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.4
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.1
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,8.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,8.1
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.3
+COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(NC(=O)COCC(=O)O)c23)cc1,CHEMBL1980521,5.9
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,8.0
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.6
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.7
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,5.1
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,6.7
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,6.7
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.1
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.9
+CC1(C)CC(C=Cc2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21,CHEMBL1987334,6.9
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.5
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,7.6
+Nc1nc(SCC(=O)Nc2ncccn2)nc2nc[nH]c12,CHEMBL1982388,5.4
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,8.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.6
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,7.5
+CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1966411,5.8
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.7
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.2
+COc1cc(-c2ccc3c(c2)Nc2cc(OCCCCO)c(OC)cc2NC3=O)ccc1O,CHEMBL2000746,5.4
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,5.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.5
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.1
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,7.1
+Cc1cc(NC(=O)Nc2ccc(-c3c(F)ccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1993996,8.8
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.7
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.2
+O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c1)c1c(F)cccc1F,CHEMBL1969834,7.9
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,8.3
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.8
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.9
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+C=C(C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2032023,7.13
+CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032022,6.51
+CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032021,6.46
+CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2032020,6.68
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032019,6.23
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032018,6.3
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cnccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032017,5.33
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032016,5.55
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032015,5.86
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032013,5.57
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031913,6.02
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031912,6.88
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031911,6.15
+COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031909,5.65
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C(C)(C)N)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031908,5.47
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031907,5.69
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031906,5.88
+CCN(C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C,CHEMBL2031905,6.04
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CNC(=O)OC(C)(C)C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031904,5.91
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031903,6.27
+COc1ccc2c(Oc3cnc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031902,5.79
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031901,7.38
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC,CHEMBL2031900,7.74
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(OC)c3)ccnc2c1,CHEMBL2031899,6.15
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(Cl)c3)c2cc1OC,CHEMBL2031898,7.44
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cn3)c2cc1OC,CHEMBL2031897,5.7
+CCc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OC,CHEMBL2031896,7.42
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1Br,CHEMBL2031894,7.1
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC,CHEMBL2031893,8.11
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC5CNC(=O)O5)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032032,6.28
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032031,6.42
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)C(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032030,6.41
+CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2029375,6.61
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032029,6.03
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032028,6.59
+COCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032027,6.49
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032026,6.63
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032025,6.72
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032024,6.34
+Cc1oc(-c2ccccc2)nc1COc1cccc(CO)c1,CHEMBL2069625,4.6
+c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,CHEMBL2087875,6.42
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,7.01
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,8.42
+NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401983,5.72
+OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401984,5.62
+CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401987,5.7
+CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401990,5.82
+O=C(Nc1ccc(Cn2cncn2)cc1)c1ccccc1NCc1ccncc1,CHEMBL3813969,7.19
diff --git a/chembl_200/CHEMBL281.csv b/chembl_200/CHEMBL281.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1dcf741082cd9c997d29cd7bfe00a04618d6ac77
--- /dev/null
+++ b/chembl_200/CHEMBL281.csv
@@ -0,0 +1,1021 @@
+CC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL20,6.921
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,6.54
+NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,CHEMBL17,6.42
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,6.47
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL218490,7.365
+CCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL18,7.89
+NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL7087,5.606
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1,CHEMBL417648,5.68
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL23684,7.66
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL23796,7.07
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1,CHEMBL23681,7.41
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL23922,7.82
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL278603,8.4
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL268439,8.299
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL687,5.55
+NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1,CHEMBL279246,6.85
+CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23285,5.59
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL25600,6.34
+NS(=O)(=O)c1nnc(NC(=O)CCCCC(F)(F)C(F)(F)F)s1,CHEMBL286004,8.0
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL22540,8.37
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,CHEMBL22374,6.82
+CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23417,5.55
+CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL220492,7.27
+NCc1ccc(S(N)(=O)=O)cc1,CHEMBL419,5.55
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL281794,6.07
+Nc1ccc(S(N)(=O)=O)cc1,CHEMBL21,5.52
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCCCC(F)(F)C(F)(F)F,CHEMBL24473,8.1
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1,CHEMBL23238,7.19
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL23435,8.39
+CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL278395,5.58
+CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23058,6.01
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL282021,8.095
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL278295,7.7
+CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23591,5.6
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL23559,6.75
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccccc1,CHEMBL280338,6.76
+NS(=O)(=O)c1ccc(NC(=O)CCCCC(F)(F)C(F)(F)F)cc1,CHEMBL280417,6.22
+NS(=O)(=O)c1ccc(/N=C\c2ncc[nH]2)cc1,CHEMBL24121,6.89
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL23377,6.92
+CCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL283097,5.63
+CCN[C@H]1CC(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL1907940,7.35
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccco1,CHEMBL282266,7.52
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1,CHEMBL76956,6.37
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL94341,7.55
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL306118,7.27
+NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL94551,6.37
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL75855,7.62
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL329956,7.39
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL305726,7.12
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1,CHEMBL309592,7.38
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)n2)cc1,CHEMBL319818,7.68
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL77284,7.03
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL265534,6.87
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL94746,6.44
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL308631,6.92
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL313873,6.61
+NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL317890,7.35
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1,CHEMBL75620,7.3
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL97694,7.2
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,CHEMBL74491,7.51
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL77359,7.2
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL76626,7.31
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL307939,7.82
+NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL97725,6.31
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL316779,7.68
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F,CHEMBL75747,6.16
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL76563,6.4
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL94499,7.24
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,CHEMBL540698,7.38
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL97425,6.48
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1,CHEMBL317743,7.31
+NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL98120,7.3
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137789,7.52
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138487,6.13
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138147,7.96
+C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137798,5.92
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1I)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137791,7.16
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138150,7.09
+C[C@H](CCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137780,8.3
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138151,7.01
+C[C@H](CCC(=O)OCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138384,6.55
+C[C@H](CCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137765,7.89
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3138157,8.1
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137811,8.3
+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3138138,6.63
+C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL2113370,7.2
+C[C@H](CCC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3137814,8.1
+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138155,6.51
+C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL2113375,7.77
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137762,8.15
+C[C@H](CCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138166,8.0
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137768,7.02
+C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138387,7.0
+C[C@H](CCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138177,7.92
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138165,6.77
+C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137761,6.69
+C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137802,7.51
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137767,7.28
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137786,7.0
+C[C@H](CCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3137808,7.62
+C[C@H](CCC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138182,6.94
+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138363,7.4
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138139,6.83
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137754,6.01
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3138410,6.82
+C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,CHEMBL3137796,6.89
+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138434,7.08
+C[C@H](CCC(=O)OCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3138163,6.5
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3138176,6.37
+C[C@H](CCC(=O)OCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137784,6.49
+C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138154,7.52
+C[C@H](CCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,CHEMBL3138424,8.15
+C[C@H](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137766,5.87
+C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHEMBL3137788,6.89
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+CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL355167,7.35
+CC1(C)OC[C@@H]2O[C@@]3(C(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL170725,6.37
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL108971,7.19
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4C=CC(C4)C3C(=O)O)cc2)s1,CHEMBL111216,8.4
+CCCC(CCC)C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326036,7.82
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(I)cc2)s1,CHEMBL108502,6.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1,CHEMBL108982,8.22
+CCCC(CCC)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL419188,6.88
+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL111360,7.31
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+Cc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL108380,8.52
+CCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL326240,7.8
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+CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL108389,6.96
+CCCC(CCC)C(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL419553,7.38
+CC(C)(C)OC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL322589,6.89
+CCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL320711,7.6
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+CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL111504,7.12
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+CCCC(CCC)C(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL324906,6.81
+CCCC(CCC)C(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL108381,7.89
+CCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1,CHEMBL107722,6.48
+Cc1ccc(S(=O)(=O)NC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL109151,7.92
+CCCC(CCC)C(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL325321,6.02
+CCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL322581,6.02
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL51385,6.7
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)O)cc1,CHEMBL51534,6.72
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)ccc1Cl,CHEMBL50045,7.14
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)O)ccc1Cl,CHEMBL48697,6.21
+NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL50195,6.39
+NC(=O)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL299160,6.8
+NS(=O)(=O)c1ccc(C(=O)NCCCC(=O)O)cc1,CHEMBL418085,6.92
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL50481,6.64
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL54235,7.6
+NS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL300020,7.3
+NS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(=S)s2)ccc1Cl,CHEMBL53407,7.68
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL50446,7.12
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51787,6.48
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL49062,7.05
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL53135,6.49
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51725,6.32
+NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1,CHEMBL49182,7.12
+NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL431742,7.3
+C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL52375,7.14
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL50365,7.21
+CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL301071,6.44
+C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51143,6.13
+CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCC(=O)O,CHEMBL298755,7.1
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL295343,7.18
+NC(=O)C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL295779,6.48
+NS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)ccc1Cl,CHEMBL51437,6.27
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)ccc1Cl,CHEMBL445615,7.01
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL298110,7.64
+C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL296390,7.62
+NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl,CHEMBL2113715,6.62
+CSCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL300436,6.82
+CC(C)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51575,6.44
+NS(=O)(=O)c1cc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)ccc1Cl,CHEMBL51456,6.48
+NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)C(O)c2ccccc2)cc1,CHEMBL51719,7.21
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL50921,6.82
+NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL50776,7.68
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)O)ccc1Cl,CHEMBL51416,6.4
+NS(=O)(=O)c1cc(C(=O)NCC(=O)O)ccc1Cl,CHEMBL297892,6.22
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL299744,6.47
+CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL2113714,7.07
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL300265,6.9
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL53972,6.89
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CS)C(=O)O)ccc1Cl,CHEMBL51517,6.14
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1Cl,CHEMBL50881,6.45
+NS(=O)(=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1Cl,CHEMBL48857,6.4
+NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL49974,6.98
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1,CHEMBL53607,7.2
+NS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL48292,7.82
+NS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL50000,7.85
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL50897,6.8
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL52227,7.72
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51668,7.89
+CSCC[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)O,CHEMBL51213,6.19
+NC(=O)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51200,6.81
+NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC(=O)O)ccc1Cl,CHEMBL51455,6.77
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)s1,CHEMBL50128,7.66
+NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL417728,6.92
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl,CHEMBL52550,7.35
+CC(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL51586,6.82
+CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL51346,7.8
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51506,7.8
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)ccc1Cl,CHEMBL297706,6.46
+NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1Cl,CHEMBL52542,6.49
+C[C@@H](O)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL298132,6.46
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL69149,8.1
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]cc(Cl)c23)cc1,CHEMBL71000,7.19
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1,CHEMBL158827,7.02
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(F)c1,CHEMBL351044,6.96
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1,CHEMBL161438,8.4
+NS(=O)(=O)c1nnc(NC(=O)CCNCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161032,7.8
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL158693,9.22
+NS(=O)(=O)c1n[nH]c(=NN2C(=O)c3cccnc3C2=O)s1,CHEMBL161205,7.74
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)cc1Cl,CHEMBL161371,7.3
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Br)c1,CHEMBL347252,7.11
+NS(=O)(=O)c1cccc(NCc2cc(=O)oc3cc(Cl)ccc23)c1,CHEMBL351692,6.55
+NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL161802,6.62
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)c1,CHEMBL161658,7.52
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(I)c1,CHEMBL348978,7.15
+Cn1nc(S(N)(=O)=O)s/c1=N\Cc1cc(=O)oc2cc(Cl)ccc12,CHEMBL161443,7.8
+NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL162021,6.49
+NS(=O)(=O)c1ccccc1NCc1cc(=O)oc2cc(Cl)ccc12,CHEMBL158660,6.52
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1Cl,CHEMBL434860,7.31
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)cc1,CHEMBL345585,7.85
+NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350327,6.77
+NS(=O)(=O)c1ccc(CCNCc2cc(=O)oc3cc(Cl)ccc23)cc1,CHEMBL350430,6.65
+NS(=O)(=O)c1nnc(NCc2cc(=O)oc3cc(Cl)ccc23)s1,CHEMBL161560,7.82
+CCN(Cc1cc(=O)oc2cc(Cl)ccc12)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL348997,7.6
+Nc1c(Br)cc(S(N)(=O)=O)cc1Br,CHEMBL306195,6.76
+Nc1c(I)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL68506,8.64
+Nc1c(F)cc(S(N)(=O)=O)cc1Cl,CHEMBL70873,7.02
+Nc1c(F)cc(S(N)(=O)=O)cc1I,CHEMBL69813,6.9
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL68639,8.6
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL69229,8.77
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl,CHEMBL70020,6.78
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL302706,8.72
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL303905,8.35
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL304322,6.98
+Nc1c(Cl)cc(S(N)(=O)=O)cc1I,CHEMBL68605,6.7
+Nc1c(I)cc(S(N)(=O)=O)cc1I,CHEMBL67755,6.55
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL69347,7.24
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,8.7
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL305488,8.7
+Nc1c(Br)cc(S(N)(=O)=O)cc1I,CHEMBL430600,6.6
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL441054,6.94
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL71657,8.64
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL307698,8.62
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL304757,8.72
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL304973,8.6
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL308459,6.61
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Br,CHEMBL430810,6.68
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL308677,8.68
+Nc1c(F)cc(S(N)(=O)=O)cc1Br,CHEMBL303648,6.95
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL306832,8.57
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL70524,8.62
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,7.8
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,7.52
+O=S(=O)(NO)C(F)(F)F,CHEMBL331308,7.8
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,7.57
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,7.05
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,7.15
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,6.73
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,7.92
+O=S(=O)(NO)C(Cl)(Cl)Cl,CHEMBL124237,6.68
+CN(C)S(=O)(=O)NO,CHEMBL330950,6.54
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,7.38
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,7.77
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,7.12
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,7.68
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,7.37
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,7.89
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,7.26
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,7.54
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,6.92
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,7.89
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,6.84
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,7.31
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,6.87
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,6.34
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,8.0
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,7.52
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,6.87
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,7.7
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,6.89
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1,CHEMBL331342,6.72
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,6.9
+CS(=O)(=O)NO,CHEMBL98328,7.25
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,6.91
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,7.13
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,8.0
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,7.0
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,6.87
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,6.81
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,6.96
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,7.42
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,6.92
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,7.8
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,7.41
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,6.85
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,7.32
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,6.86
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,7.4
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,7.41
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,7.92
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,7.72
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,6.97
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,7.89
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,7.35
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,7.62
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(N)cc1,CHEMBL13630,9.1
+Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL269122,7.198
+Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL6633,6.81
+Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL14182,7.28
+Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL418,6.76
+Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL266026,7.22
+Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL7146,7.14
+NS(=O)(=O)c1cccc2cccnc12,CHEMBL268809,6.38
+NS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL414,7.07
+NS(=O)(=O)c1cccc2ccccc12,CHEMBL6648,6.36
+Nc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL6946,6.84
+NS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1,CHEMBL327669,6.52
+NS(=O)(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,CHEMBL86751,6.52
+NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL314929,7.96
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)cc1Cl,CHEMBL88519,7.22
+NS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1,CHEMBL91420,6.52
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1,CHEMBL315592,7.1
+NS(=O)(=O)c1ccccc1N1C(=O)c2cccnc2C1=O,CHEMBL313123,6.51
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1,CHEMBL86428,7.16
+NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL313925,7.89
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(I)c1,CHEMBL327933,7.15
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl,CHEMBL328946,7.32
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL316037,8.05
+NS(=O)(=O)c1nnc(N2C(=O)c3cccnc3C2=O)s1,CHEMBL88232,7.74
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(F)c1,CHEMBL88120,7.34
+NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL315661,7.15
+NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL88860,7.4
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1,CHEMBL89455,7.1
+NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,CHEMBL88173,7.27
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Br)c1,CHEMBL316140,7.12
+NS(=O)(=O)c1nnc(NC(=O)c2cccc(C(=O)O)n2)s1,CHEMBL85079,7.68
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1,CHEMBL88969,7.21
+NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(C(=O)O)n3)cc2s1,CHEMBL89163,8.0
+NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL280071,6.92
+NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1,CHEMBL90382,8.0
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1cccc(C(=O)O)n1,CHEMBL85120,7.72
+CCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL313770,7.77
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1,CHEMBL90218,7.18
+NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1,CHEMBL330346,6.77
+NS(=O)(=O)c1ccc(CCONC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL89945,6.98
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl,CHEMBL432818,7.16
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1Cl,CHEMBL89634,7.26
+NS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL327604,6.52
+NS(=O)(=O)c1nc2ccc(N3C(=O)c4cccnc4C3=O)cc2s1,CHEMBL420610,8.05
+NS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1,CHEMBL92116,6.55
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1,CHEMBL90492,6.82
+NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1,CHEMBL87141,7.36
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NCC(=O)O)cc1,CHEMBL148167,8.22
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1,CHEMBL358290,7.12
+NS(=O)(=O)c1ccc(NC(=S)NCCc2cnc[nH]2)cc1,CHEMBL148426,7.25
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)O)cc1,CHEMBL144766,7.54
+NS(=O)(=O)c1ccc(NC(=S)NC(CCC(=O)O)C(=O)O)cc1,CHEMBL356059,7.72
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL144970,7.62
+CC(O)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144186,7.8
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144982,7.44
+NS(=O)(=O)c1ccc(NC(=S)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)O)cc1,CHEMBL2370954,7.96
+NC(=O)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL144006,7.96
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL344132,7.89
+CCC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL147385,8.0
+NS(=O)(=O)c1ccc(NC(=S)NCc2ccccn2)cc1,CHEMBL144667,7.12
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL144122,7.89
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(C(=O)O)c2)cc1,CHEMBL344316,7.44
+CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O,CHEMBL148387,7.89
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)O)cc1,CHEMBL147726,7.77
+NS(=O)(=O)c1ccc(NC(=S)NC(CO)C(=O)O)cc1,CHEMBL148069,7.82
+NS(=O)(=O)c1ccc(NC(=S)N2CCCC2C(=O)O)cc1,CHEMBL144537,7.17
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)O)cc1,CHEMBL421940,7.46
+CSCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357601,7.89
+NC(=O)CCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL421767,7.64
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)NCC(=O)O)cc1,CHEMBL342088,7.49
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)O,CHEMBL144786,7.89
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL145256,7.4
+NS(=O)(=O)c1ccc(NC(=S)NCC(=O)O)cc1,CHEMBL356322,7.41
+CC(C)CC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL342050,7.92
+NS(=O)(=O)c1ccc(NC(=S)NCCCC(=O)O)cc1,CHEMBL144322,7.48
+NS(=O)(=O)c1ccc(NC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)cc1,CHEMBL357388,7.49
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1,CHEMBL3143261,7.57
+NCCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL357475,7.26
+NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144352,8.0
+CC(C)C(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL146887,7.89
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)c2ccccc2)cc1,CHEMBL144383,7.82
+NS(=O)(=O)c1ccc(NC(=S)NC(CS)C(=O)O)cc1,CHEMBL144716,8.0
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2ccc(O)c(O)c2)C(=O)O)cc1,CHEMBL143992,7.74
+NS(=O)(=O)c1ccc(N=C=S)cc1,CHEMBL144818,6.52
+N=C(N)NCCCC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,CHEMBL344757,7.21
+NS(=O)(=O)c1ccc(NC(=S)NC(C(=O)O)C(O)c2ccccc2)cc1,CHEMBL144946,8.05
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)O)cc1,CHEMBL144301,7.82
+NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)O)cc1,CHEMBL143891,8.05
+NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccn2)cc1,CHEMBL143033,7.11
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL309431,8.1
+CCNC1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CNC)cc21,CHEMBL341002,7.52
+CN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=N)N,CHEMBL123108,7.92
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)C(=N)N,CHEMBL123398,7.29
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL125776,7.21
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL122573,7.15
+CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C(=N)N,CHEMBL123065,7.38
+CNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL332222,7.85
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123535,6.82
+CNCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL121662,7.26
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1)C(=N)N,CHEMBL330755,7.96
+CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122817,7.19
+CN(CC(=O)NNc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL123066,6.61
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122870,7.15
+NCC(=O)NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL332221,7.92
+CNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL124224,7.15
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CNC(=O)CN,CHEMBL123047,7.36
+NCC(=O)NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122781,7.35
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL125338,7.21
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL121782,7.21
+NCC(=O)NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122280,6.52
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL122961,7.14
+NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122749,7.22
+NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122336,6.74
+NCC(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122074,7.27
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL123827,7.18
+CCN(C(=O)CN(C)C(=N)N)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112600,7.57
+CN(CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)C(=N)N,CHEMBL333692,7.39
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=N)N,CHEMBL331738,7.41
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL122484,6.76
+CNCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL331932,6.71
+CN(CC(=O)Nc1ccccc1S(N)(=O)=O)C(=N)N,CHEMBL121927,6.69
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)C(=N)N,CHEMBL332225,7.22
+NCC(=O)NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL126179,7.74
+NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122249,7.09
+NCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL121393,7.16
+CNCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL123652,7.13
+NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL334088,7.21
+NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL122394,6.82
+CCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112602,7.51
+NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL331727,7.16
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL338513,7.1
+NCC(=O)NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL122767,6.63
+NCC(=O)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL122839,7.12
+CNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1,CHEMBL123606,8.15
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL124165,6.85
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1)C(=N)N,CHEMBL419604,8.3
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL332744,7.35
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL125980,7.15
+NCC(=O)NCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL124450,7.25
+CN(CC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1)C(=N)N,CHEMBL331697,8.22
+CCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL2112599,7.46
+CNCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122951,7.41
+CNCC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL541990,7.52
+CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=N)N,CHEMBL122730,7.15
+CN(CC(=O)NS(=O)(=O)c1ccc(CO)cc1)C(=N)N,CHEMBL123603,7.05
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL332586,6.84
+CNCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C,CHEMBL122444,7.37
+CN(CC(=O)NS(=O)(=O)c1nc2ccc(O)cc2s1)C(=N)N,CHEMBL122720,7.82
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1,CHEMBL332220,8.05
+CNCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL123599,7.82
+CN(CC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)C(=N)N,CHEMBL333033,7.29
+NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL122176,7.12
+NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340569,7.14
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL122926,7.21
+CN(CC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL122349,7.46
+NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332549,6.61
+NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122395,7.12
+NCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL122762,6.52
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL121726,7.19
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN,CHEMBL121364,7.15
+NCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL331386,8.0
+CNCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL332200,6.69
+CNCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL122808,7.3
+NCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL122756,7.26
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL331331,7.07
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL124046,6.81
+CN(CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=N)N,CHEMBL332648,8.1
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL123877,7.11
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=N)N,CHEMBL332119,7.21
+CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1I)C(=N)N,CHEMBL124168,7.16
+CNCC(=O)NNc1ccc(S(N)(=O)=O)cc1,CHEMBL123982,6.55
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL331527,8.22
+NCC(=O)Nc1cccc(S(N)(=O)=O)c1,CHEMBL125376,6.62
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL123878,7.34
+NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL124399,7.13
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1,CHEMBL333874,8.0
+NCC(=O)NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL122390,7.64
+CN(CC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=N)N,CHEMBL121696,7.4
+CNCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL121809,7.22
+NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL451190,8.05
+CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL125729,7.34
+CNCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL123539,8.05
+CNCC(=O)NS(=O)(=O)c1ccc(CO)cc1,CHEMBL121777,6.91
+CNCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL123116,6.95
+CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1)C(=N)N,CHEMBL123482,7.24
+CN(CC(=O)NS(=O)(=O)c1ccc(CCO)cc1)C(=N)N,CHEMBL333954,7.07
+CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=N)N,CHEMBL121922,6.75
+Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(N)cc1,CHEMBL331083,9.1
+NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL122795,7.22
+NCC(=O)NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL332527,6.81
+CNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL122786,8.22
+NCC(=O)NCC(=O)Nc1ccccc1S(N)(=O)=O,CHEMBL331002,6.62
+NCC(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL122838,7.15
+NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL122953,7.19
+NCC(=O)NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL340503,7.19
+COCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL96020,7.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)O)c2)s1,CHEMBL97141,7.89
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95545,8.05
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL265261,8.1
+COCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL319110,8.1
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98389,8.0
+CN(C)CCOCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL418783,8.15
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL318028,8.0
+CC(CN(C)C)OC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95943,7.92
+CN(C)CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100266,8.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,7.92
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)O)c1,CHEMBL95637,7.82
+COCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL95421,8.05
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317807,8.1
+CN(C)CCOC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL328648,7.85
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1,CHEMBL329311,7.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCO)c2)s1,CHEMBL328633,8.1
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCO)cc2)s1,CHEMBL98877,7.96
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL98146,8.0
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL100329,8.15
+CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c1,CHEMBL317383,8.15
+CC(CN(C)C)OC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL95264,7.89
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1,CHEMBL99337,8.1
+CN(C)CCOCCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL99257,8.22
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)OCCO)cc1,CHEMBL318820,7.85
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL98871,7.85
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)OCCO)c1,CHEMBL419329,8.0
+COCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL99927,8.0
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL77517,7.19
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1,CHEMBL344055,7.4
+NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL138178,5.82
+NS(=O)(=O)c1ccc(NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138009,6.08
+NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140169,6.39
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Br)c1,CHEMBL138115,4.33
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL343332,6.62
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL264879,8.1
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL141868,8.05
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL140389,6.26
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141425,7.74
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138847,7.92
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138530,6.22
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL142541,6.51
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL140007,7.41
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL138253,8.05
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140110,8.3
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL141898,7.85
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL342390,4.96
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL139946,8.15
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL138920,8.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL337771,7.54
+NS(=O)(=O)c1ccc(CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141618,4.92
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL141255,7.27
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1,CHEMBL138972,4.61
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)F)s1,CHEMBL140942,6.22
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL140391,7.52
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)F)n2)cc1,CHEMBL139649,7.41
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL141351,8.1
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL143294,7.51
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL139700,4.99
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL344887,6.08
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140306,7.49
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1,CHEMBL139668,7.6
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL344181,6.05
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL141408,6.26
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140933,6.21
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL140554,6.38
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL344888,6.81
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL140428,6.85
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1,CHEMBL139563,6.06
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140481,8.22
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL265112,6.12
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL341600,4.91
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL341548,6.17
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1,CHEMBL336691,4.38
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL342668,6.23
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140221,6.59
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL335337,7.52
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL142132,8.22
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL140692,6.99
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL140792,8.15
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343048,7.89
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,CHEMBL344889,7.6
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141757,7.44
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL342146,6.7
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL138812,7.96
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL443483,6.06
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141052,6.22
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL343047,6.89
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344941,6.46
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)F)cc1,CHEMBL140975,4.22
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL140370,8.15
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL141309,6.17
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl,CHEMBL343590,6.85
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL94836,8.22
+NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL343916,8.1
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1,CHEMBL139023,4.3
+NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL142142,6.28
+NS(=O)(=O)c1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL139939,7.89
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(I)c1,CHEMBL342038,5.98
+NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140095,8.05
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)c(Cl)c1Cl,CHEMBL142067,6.14
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1,CHEMBL342485,7.35
+NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141753,8.22
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL336455,6.62
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL436573,6.64
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140116,6.07
+NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141562,6.3
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141756,7.6
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL140544,6.23
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL341760,8.0
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL139940,7.26
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)F)cc1Cl,CHEMBL140252,6.82
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL139539,7.44
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CHEMBL344001,7.82
+NS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,CHEMBL141526,6.03
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL141108,7.54
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL140379,6.32
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140880,6.09
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140879,8.0
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL344034,7.77
+NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344056,6.12
+Cn1nc(S(N)(=O)=O)sc1=NS(=O)(=O)C(F)(F)F,CHEMBL140941,7.49
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL141478,5.98
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CHEMBL343098,7.59
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL433685,5.92
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL342610,8.1
+NS(=O)(=O)c1nc2ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL337328,7.85
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CHEMBL344382,8.0
+NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL140696,7.21
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)F,CHEMBL140973,4.01
+NS(=O)(=O)c1ccc(NNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL139549,6.22
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1,CHEMBL141049,6.06
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl,CHEMBL336483,6.8
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141899,8.15
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1,CHEMBL343268,6.27
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL140805,8.1
+NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL139763,7.0
+NS(=O)(=O)c1ccc(COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL138309,4.96
+NS(=O)(=O)c1ccc(CCOC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL344709,6.4
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)F)cc1,CHEMBL142078,4.62
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl,CHEMBL342407,7.37
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL337369,8.05
+NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL337136,6.01
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL141028,4.19
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141130,7.62
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL342679,6.3
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,CHEMBL343944,7.62
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1,CHEMBL422639,6.3
+NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1,CHEMBL140791,7.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1,CHEMBL343046,7.68
+NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1,CHEMBL141410,7.47
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1,CHEMBL422825,7.8
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344030,6.12
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1,CHEMBL141363,7.48
+NS(=O)(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1,CHEMBL140938,4.02
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1,CHEMBL140486,4.54
+NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1,CHEMBL141346,7.4
+NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL140446,6.05
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL138603,8.05
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344861,6.33
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CHEMBL336249,6.19
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1,CHEMBL96361,6.73
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(I)c1,CHEMBL336247,4.31
+NS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL140452,6.17
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL342622,6.39
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL141624,8.15
+NS(=O)(=O)c1nc2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL141168,8.05
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,CHEMBL140616,7.96
+NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL344237,4.98
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(I)c1,CHEMBL335353,4.82
+NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL141965,6.15
+NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,CHEMBL342026,8.3
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL262561,7.48
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)F)cc1,CHEMBL140820,4.35
+NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL436400,5.04
+NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1,CHEMBL344156,8.0
+NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1,CHEMBL140643,4.9
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(I)c1,CHEMBL407995,6.77
+NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)c1,CHEMBL13555,8.0
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1,CHEMBL418164,7.02
+Cn1nc(S(N)(=O)=O)s/c1=N/SC(=S)N1CCOCC1,CHEMBL276869,7.59
+Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL275565,8.89
+NS(=O)(=O)c1ccc(CCNSC(=S)N2CCOCC2)cc1,CHEMBL13975,7.62
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Cl)c1,CHEMBL13981,7.03
+NS(=O)(=O)c1ccc(CNSC(=S)N2CCOCC2)cc1,CHEMBL266157,7.46
+NS(=O)(=O)c1cccc(NSC(=S)N2CCOCC2)c1,CHEMBL14039,6.54
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(F)c1,CHEMBL13966,6.92
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1,CHEMBL13614,8.4
+CCN(SC(=S)N1CCOCC1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL418163,7.66
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)cc1Cl,CHEMBL13410,7.05
+CCN(C)C(=S)SNCCc1ccc(S(N)(=O)=O)cc1,CHEMBL14198,7.52
+NS(=O)(=O)c1ccccc1NSC(=S)N1CCOCC1,CHEMBL13982,6.3
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)cc1,CHEMBL417986,8.0
+NS(=O)(=O)c1ccc(NNSC(=S)N2CCOCC2)cc1,CHEMBL13541,6.19
+NS(=O)(=O)c1n[nH]c(=NSC(=S)N2CCOCC2)s1,CHEMBL274895,7.6
+NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1,CHEMBL13929,7.0
+NS(=O)(=O)c1nnc(NC(=O)CCNSC(=S)N2CCOCC2)s1,CHEMBL13802,7.68
+CCN(C)C(=S)SNCc1ccc(S(N)(=O)=O)cc1,CHEMBL266387,7.39
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSC(=S)N2CCOCC2)c(Cl)c1Cl,CHEMBL275091,7.31
+CCN(C)C(=S)SNc1ccc(S(N)(=O)=O)cc1,CHEMBL13851,6.85
+NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1,CHEMBL253997,8.1
+NS(=O)(=O)c1ccc(CC/N=C/c2ccncc2)cc1,CHEMBL253362,7.92
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc[nH]2)cc1,CHEMBL254212,8.0
+Cn1cccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL254211,8.1
+Cn1cccc1/C=N/Cc1ccc(S(N)(=O)=O)cc1,CHEMBL400889,8.0
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc([N+](=O)[O-])c2)cc1,CHEMBL254005,6.85
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL399457,6.8
+Cc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL430213,6.92
+NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL438693,7.96
+Cc1ccc(S(=O)(=O)NC(=O)Nc2c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c2Cl)cc1,CHEMBL255047,7.85
+NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL254835,7.6
+NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL120304,7.7
+NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL254834,7.62
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1,CHEMBL254833,7.15
diff --git a/chembl_200/CHEMBL2820.csv b/chembl_200/CHEMBL2820.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e15bf9bcee1fc73e7e55e3a1a810ad46715308a6
--- /dev/null
+++ b/chembl_200/CHEMBL2820.csv
@@ -0,0 +1,354 @@
+CCS(=O)(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL392297,5.18
+CCOC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL437555,5.13
+CC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1,CHEMBL394129,4.99
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL527117,6.94
+CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506769,6.49
+C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506502,6.59
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(C(=O)O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506501,7.77
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL506240,7.48
+CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL505986,6.95
+O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL1923468,4.88
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,CHEMBL2315243,5.47
+N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1,CHEMBL2315239,5.33
+N=C(N)c1ccc(CNC(=O)C(Cc2ccc(CN)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115903,4.72
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115901,6.52
+N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1,CHEMBL3115900,6.1
+CCOc1ccc(F)c([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c1,CHEMBL3114836,5.15
+CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c(F)cc1F,CHEMBL3114835,4.96
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(OC)ccc2F)c1,CHEMBL3114834,4.96
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(C)ccc2F)c1,CHEMBL3114833,4.96
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(F)c(OC)c2)c1,CHEMBL3114832,4.96
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(Cl)c(OC)c2)c1,CHEMBL3114831,5.57
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1,CHEMBL3114849,5.0
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cccc(OC(F)F)c2)c1,CHEMBL3114848,4.96
+COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1,CHEMBL3114847,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cc(NC(C)=O)ccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114843,5.4
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C,CHEMBL3114842,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C,CHEMBL3114841,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C,CHEMBL3114840,5.17
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1OC(C)C,CHEMBL3114839,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(N)c2)ccc1OC(C)C,CHEMBL3114857,5.01
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(O)c2)ccc1OC(C)C,CHEMBL3114856,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(=O)OC)c2)ccc1OC(C)C,CHEMBL3114855,5.1
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114854,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NS(N)(=O)=O)c2)ccc1OC(C)C,CHEMBL3114853,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C,CHEMBL3114852,4.96
+CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2)ccc1OC(C)C,CHEMBL3114851,5.41
+CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127491,9.465
+C[C@]1(c2ccccc2)C[C@@H](c2cc(NC(=O)C3CC3)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127490,9.14
+CCCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127489,9.52
+CCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127488,9.16
+CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1,CHEMBL3127487,9.0
+C[C@]1(c2ccccc2)C[C@@H](c2cc(N)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127486,9.19
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1cc(N)cc(-c3ccccc3C(=O)O)c1)N2,CHEMBL3127485,8.12
+C[C@]1(c2ccccc2)C[C@H](c2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127484,7.59
+CC(C)(C)NC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127483,6.27
+CN(C)Cc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127482,6.33
+CC(C)NC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127481,6.68
+CNC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127480,6.81
+CC(=O)Nc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127479,6.96
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccccc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127478,6.96
+COC(=O)c1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127477,7.1
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(N)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127476,7.19
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C#N)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127475,7.32
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(NS(C)(=O)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3124966,7.43
+CNC(=O)Nc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127474,7.82
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127473,8.82
+CCC[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127472,5.71
+CC[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127471,6.08
+C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21,CHEMBL3127470,7.21
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1cccc(-c3ccc(C(=O)O)cc3C(=O)O)c1)N2,CHEMBL3127469,8.41
+CC(C)CNC(=O)c1ccc(-c2cccc([C@@H]3C[C@H](c4ccccc4)c4cc(C(=N)N)ccc4N3)c2)c(C(=O)O)c1,CHEMBL3127468,7.64
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1-c1ccc(C(=O)O)cc1)N2,CHEMBL3127467,5.62
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1-c1ccc(C(=O)O)cc1C(=O)O)N2,CHEMBL3127466,8.07
+N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1-c1ccccc1C(=O)O)N2,CHEMBL3127465,6.96
+CC(C)CNC(=O)c1ccc(-c2ccccc2[C@@H]2C[C@H](c3ccccc3)c3cc(C(=N)N)ccc3N2)c(C(=O)O)c1,CHEMBL3127464,7.6
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Br)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1,CHEMBL3260339,10.1
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3F)=CC1=O)c1ccnc-2c1,CHEMBL3260340,7.36
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1,CHEMBL3260341,9.96
+COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1,CHEMBL3260342,9.01
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)CC1,CHEMBL3355683,9.41
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cnc(-c3ccccc3)[nH]2)CC1,CHEMBL3355689,5.79
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nn(-c3ccccc3)c(=O)[nH]2)CC1,CHEMBL3355688,5.51
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)n[nH]2)CC1,CHEMBL3355687,5.16
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nnc(-c3ccccc3)[nH]2)CC1,CHEMBL3355686,6.01
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ncc(-c3ccccc3)o2)CC1,CHEMBL3355685,5.84
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(F)[nH]2)CC1,CHEMBL3355684,9.52
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c[nH]2)CC1,CHEMBL3355682,8.505
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(F)[nH]2)CC1,CHEMBL3355681,8.52
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(Cl)[nH]2)CC1,CHEMBL3355680,8.4
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(Br)[nH]2)CC1,CHEMBL3355679,8.05
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccc(CC(N)=O)c3)c[nH]2)CC1,CHEMBL3355678,6.26
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccc(CC(=O)O)c3)c[nH]2)CC1,CHEMBL3355677,6.56
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccc(C(N)=O)c3)c[nH]2)CC1,CHEMBL3355676,5.96
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(CC(N)=O)cc3)c[nH]2)CC1,CHEMBL3355675,6.4
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(CC(=O)O)cc3)c[nH]2)CC1,CHEMBL3355674,6.82
+CN(C)C(=O)c1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)cc1,CHEMBL3355673,5.54
+CNC(=O)c1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)cc1,CHEMBL3355672,6.46
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(=O)O)cc3)c[nH]2)CC1,CHEMBL3355671,6.23
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c[nH]2)CC1,CHEMBL3355670,7.52
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(S(N)(=O)=O)cc3)c[nH]2)CC1,CHEMBL3352850,5.87
+CCOC(=O)Cc1cccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)c1,CHEMBL3355669,6.2
+N#Cc1cccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)c1,CHEMBL3355668,5.95
+CCOC(=O)Cc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)cc1,CHEMBL3355667,6.31
+COC(=O)c1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)cc1,CHEMBL3355666,6.1
+N#Cc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)n2)cc1,CHEMBL3355665,6.64
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)c[nH]2)CC1,CHEMBL3355664,6.92
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)[nH]nc4c3)cc(=O)[nH]2)CC1,CHEMBL3393388,8.43
+NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cc(-c3ccc4c(N)[nH]nc4c3)ccn2)CC1,CHEMBL3393387,5.97
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccc4c(N)[nH]nc4c3)ccn2)CC1,CHEMBL3393386,8.11
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)[nH]nc4c3)ccn2)CC1,CHEMBL3393385,7.89
+NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cccc(-c3ccc4c(N)[nH]nc4c3)c2)CC1,CHEMBL3393384,5.21
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cccc(-c3ccc4c(N)[nH]nc4c3)c2)CC1,CHEMBL3393383,7.68
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cccc(-c3ccc4c(N)[nH]nc4c3)c2)CC1,CHEMBL3393382,7.38
+Cn1c(C(Cc2ccccc2)NC(=O)[C@H]2CC[C@H](CN)CC2)cc(-c2ccccc2)cc1=O,CHEMBL3393380,6.32
+COc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)[C@H]2CC[C@H](CN)CC2)n1,CHEMBL3393379,6.02
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)cc(=O)[nH]2)CC1,CHEMBL3393378,6.95
+CNc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)[C@H]2CC[C@H](CN)CC2)n1,CHEMBL3393377,6.07
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)cc(N)n2)CC1,CHEMBL3393376,6.64
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)cc(Cl)n2)CC1,CHEMBL3393375,6.69
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)c(F)cn2)CC1,CHEMBL3393374,6.49
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)c(Cl)[nH]2)CC1,CHEMBL3393373,7.92
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1,CHEMBL3393372,6.03
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)ncn2)CC1,CHEMBL3393371,6.48
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nccc(-c3ccccc3)n2)CC1,CHEMBL3393370,4.94
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc[n+]([O-])c(-c3ccccc3)c2)CC1,CHEMBL3393369,5.6
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)c[n+]([O-])c2)CC1,CHEMBL3393368,5.97
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)cc[n+]2[O-])CC1,CHEMBL3393367,5.77
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2ccnc(-c3ccccc3)c2)CC1,CHEMBL3393366,6.36
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cncc(-c3ccccc3)c2)CC1,CHEMBL3393365,6.48
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1,CHEMBL3393364,6.42
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cccc(-c3ccccc3)n2)CC1,CHEMBL3393363,4.52
+NCC12CCC(C(=O)N[C@@H](Cc3ccccc3)c3nc(-c4ccc5c(N)[nH]nc5c4)c(Cl)[nH]3)(CC1)CC2,CHEMBL3398613,8.83
+NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)cc1,CHEMBL3398614,8.94
+NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)c(F)c1,CHEMBL3398615,8.99
+Nc1nccc2c1CCC(C(=O)N[C@@H](Cc1ccccc1)c1nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]1)C2,CHEMBL3398616,8.62
+Nc1nccc2cc(C(=O)N[C@@H](Cc3ccccc3)c3nc(-c4ccc5c(N)[nH]nc5c4)c(Cl)[nH]3)ccc12,CHEMBL3398617,7.72
+Nc1[nH]nc2cc(C(=O)N[C@@H](Cc3ccccc3)c3nc(-c4ccc5c(N)[nH]nc5c4)c(Cl)[nH]3)ccc12,CHEMBL3398618,7.24
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)c4ccc5c(N)noc5c4)[nH]c3Cl)ccc12,CHEMBL3398619,6.9
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)[C@H]4CC[C@H](C(N)=O)CC4)[nH]c3Cl)ccc12,CHEMBL3398620,5.54
+C[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)CC1,CHEMBL3398621,7.17
+NC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)cc1,CHEMBL3398622,6.51
+Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)cc1,CHEMBL3398623,6.41
+Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)c(F)c1,CHEMBL3398624,6.7
+COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)c(F)c1,CHEMBL3398625,6.55
+COc1cc(F)c(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)[nH]nc4c3)c(Cl)[nH]2)c(F)c1,CHEMBL3398626,7.19
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)c4cc(Cl)ccc4F)[nH]c3Cl)ccc12,CHEMBL3398627,6.28
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(Cl)c4)[nH]c3Cl)ccc12,CHEMBL3398628,7.27
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4F)[nH]c3Cl)ccc12,CHEMBL3398629,7.51
+Cc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)[nH]nc3c2)c(Cl)[nH]1,CHEMBL3398630,7.28
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C(F)(F)F)[nH]c3Cl)ccc12,CHEMBL3398631,6.62
+COc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)[nH]nc3c2)c(Cl)[nH]1,CHEMBL3398632,7.12
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(Cl)c4F)[nH]c3Cl)ccc12,CHEMBL3398633,7.24
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4c(F)ccc(Cl)c4F)[nH]c3Cl)ccc12,CHEMBL3398634,7.64
+NCc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)[nH]nc3c2)c(Cl)[nH]1,CHEMBL3398635,8.24
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12,CHEMBL3398636,8.82
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cccn4)[nH]c3Cl)ccc12,CHEMBL3398637,6.35
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cncn4)[nH]c3Cl)ccc12,CHEMBL3398638,7.34
+COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3398639,8.47
+COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3398640,8.72
+COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3398641,8.5
+COC(=O)Nc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)n2)cc1,CHEMBL3398642,8.17
+Nc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12,CHEMBL3398644,8.92
+Nc1[nH]nc2cc(-c3c[nH]c([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)n3)ccc12,CHEMBL3398643,8.3
+CN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)CC1,CHEMBL3580759,10.2
+COC(=O)Nc1ccc(-c2nc([C@H](CC(=O)N3CCS(=O)(=O)CC3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3580758,9.52
+COC(=O)Nc1ccc(-c2nc([C@H](CC(=O)N3CCN(C)CC3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3580757,9.4
+COC(=O)Nc1ccc(-c2nc([C@H](CC(=O)N3CCN(C(C)=O)CC3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3580756,9.22
+COC(=O)Nc1ccc(-c2nc([C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1,CHEMBL3580755,9.15
+O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3[nH]c(=O)cc(O)c3c2)c(Cl)[nH]1,CHEMBL3580754,9.74
+O=C(CCc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3[nH]c(=O)cc(O)c3c2)c(Cl)[nH]1,CHEMBL3580753,9.49
+Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)c1,CHEMBL3580752,9.3
+Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4[nH]c(=O)ccc4c3)c(Cl)[nH]2)c1,CHEMBL3580751,7.92
+O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)CCC(=O)N3)c(Cl)[nH]1,CHEMBL3580665,7.72
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660192,5.85
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660191,6.3
+COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)c1,CHEMBL3660190,6.3
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1,CHEMBL3660171,7.15
+CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660172,5.85
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660173,6.1
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(C(=O)C3CC3)CC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660174,6.19
+CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660175,6.14
+CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660176,6.06
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660177,5.85
+COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660178,5.85
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660179,6.3
+CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660180,5.82
+CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660181,5.89
+CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660182,6.06
+COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660183,6.14
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660184,5.85
+CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660185,6.04
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660186,6.87
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1,CHEMBL3660187,6.0
+N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL3660188,5.6
+COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1,CHEMBL3660189,6.22
+O=C(O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701218,5.76
+O=C(O)c1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701219,7.99
+COC(=O)Nc1cccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c1,CHEMBL3701221,5.55
+COC(=O)c1ccc(NC(=O)C2c3c(F)cccc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701232,5.29
+O=C(Nc1ccc(C2CCCN2)cc1)[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1,CHEMBL3701224,5.17
+COC(=O)NCc1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701225,6.05
+O=C(O)c1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)C#Cc2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701226,8.15
+CC1(C)CN(C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(C(=O)Nc2ccc(C(=O)O)cc2)c2c(Br)cccc21,CHEMBL3701227,6.77
+CCc1nn(C)c2c1C(C(=O)Nc1ccc(C(=O)O)cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2,CHEMBL3701228,7.63
+Cc1[nH]nc2c1C(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)N(C(=O)/C=C/c1c(-n3cnnn3)ccc(Cl)c1F)CC2,CHEMBL3701229,6.25
+Cc1[nH]nc2c1C(C(=O)Nc1ccc(C(=O)O)cc1)N(C(=O)/C=C/c1c(-n3cnnn3)ccc(Cl)c1F)CC2,CHEMBL3701230,8.3
+O=C(O)c1ccc(NC(=O)C2c3cccnc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1,CHEMBL3701231,7.29
+O=C(Nc1ccc(Cl)cc1)Nc1cnc2c(c1)C(C(=O)Nc1ccc(C(=O)O)cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2,CHEMBL3701233,6.59
+COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,CHEMBL3647393,5.47
+COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1,CHEMBL3647394,7.91
+COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CCC(c3cc(Cl)ccc3OC(F)F)OC1=O)c1nc-2c(C#N)[nH]1,CHEMBL3647395,7.38
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Cl)ccc(Cl)c3F)NC1=O)c1nc-2c[nH]1,CHEMBL3647398,8.17
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCN(c3cccc(Cl)c3F)CC1=O)c1cc-2ccn1,CHEMBL3647399,8.13
+COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CC[C@H](N1CCC(C)(c3c(F)ccc(Cl)c3F)OC1=O)c1nc-2c(Cl)[nH]1,CHEMBL3647401,5.665
+COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CC[C@H](N1CCC(c3cc(Cl)ccn3)NC1=O)c1nc-2c[nH]1,CHEMBL3647403,7.61
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@@H](c3nccc(Cl)c3F)N(C)C1=O)c1nc-2c[nH]1,CHEMBL3647407,6.48
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3nccc(Cl)c3F)N(C)C1=O)c1nc-2c[nH]1,CHEMBL3647408,7.54
+COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CC[C@H](N1CC[C@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1nc-2c[nH]1,CHEMBL3647409,8.13
+COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CCC(c3cccc(Cl)c3)OC1=O)c1nc-2c(C#N)[nH]1,CHEMBL3647410,7.87
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](N1CC[C@@H](c3c(F)ccc(Cl)c3F)OC1=O)c1ccnc-2c1,CHEMBL3647412,8.02
+COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C(F)(F)F)ccc(Cl)c3F)OC1=O)c1cc-2ccn1,CHEMBL3647413,7.16
+COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](N1CCC(c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1,CHEMBL3647414,8.02
+COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CC[C@H](N1CCN(c3cccc(Cl)c3)C(C)C1=O)c1nc-2c[nH]1,CHEMBL3647416,6.01
+O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCCCc2ccccc2-c2c[nH]c1n2,CHEMBL3676156,5.53
+COC(=O)Nc1ccc2c(c1)NC[C@@H]1CCN(C1)C(=O)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,CHEMBL3676157,5.62
+COC(=O)Nc1ccc2c(c1)CCCCc1cccc(c1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,CHEMBL3676158,8.09
+COC(=O)Nc1ccc2c(c1)CNC(=O)c1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1,CHEMBL3676159,5.09
+COC(=O)Nc1ccc2c(c1)CCCCc1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1,CHEMBL3676160,7.15
+COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)c1c(F)cc(C)cc1F)c1nc-2c[nH]1,CHEMBL3676162,6.84
+COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)[C@H]1CC[C@H](C)CC1)c1nc-2c[nH]1,CHEMBL3676163,5.88
+CCC1CCC(C(=O)NC2Cc3ccc(F)c(n3)CCC(=O)Nc3cc(NC(=O)OC)ccc3-c3nc2[nH]c3Cl)CC1,CHEMBL3676165,7.11
+COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)CC(NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2cn1C,CHEMBL3676164,6.99
+[C-]#[N+]c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C2C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663879,7.41
+COCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C2C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663880,7.67
+CCOC(=O)CCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1c(-n3cnnn3)ccc(Cl)c1F)C2C(=O)Nc1ccc(F)cc1,CHEMBL3663893,6.24
+CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Nc2ccc(NC(=O)OC)cc2)C1,CHEMBL3663894,6.48
+CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)C2C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663882,7.67
+COC(=O)Nc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(F)cc2)cc1,CHEMBL3663884,5.47
+CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)NCC(=O)OC)cc1,CHEMBL3663896,6.47
+CC[C@H](C)NC(=O)C1c2cccc(-c3ccc(C(=O)NC)cc3)c2CCN1C(=O)/C=C/c1c(-n2cnnn2)ccc(Cl)c1F,CHEMBL3663897,7.31
+CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)NCc2nccn2C)cc1,CHEMBL3663898,6.27
+CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Nc2ccc3[nH]ncc3c2)cc1,CHEMBL3663900,7.7
+CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)cc1,CHEMBL3663885,6.02
+CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)OCc3ccccn3)cc2)cc1,CHEMBL3663902,6.88
+CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(-c3ccc(C(N)=O)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663903,6.54
+CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(O)cccc2C1C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663888,7.61
+CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(-c3ccc(C(=O)NCCN(C)C)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1,CHEMBL3663889,7.43
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+O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CC=CCCOc2ccccc2-n2cnc1n2,CHEMBL3699233,5.53
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+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccc4[nH][nH]c(=O)c4c3)ccn2)CC1,CHEMBL3780324,8.43
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4[nH][nH]c(=O)c4c3)ccn2)CC1,CHEMBL3780189,8.12
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4n[nH]cc4c3)ccn2)CC1,CHEMBL3780930,7.21
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4n[nH]c(N)c4c3)ccn2)CC1,CHEMBL3780751,7.28
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)nccc4c3)ccn2)CC1,CHEMBL3781468,6.84
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)ncnc4c3)ccn2)CC1,CHEMBL3781505,8.0
+NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccc4c(N)noc4c3)ccn2)CC1,CHEMBL3780922,8.42
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)noc4c3)ccn2)CC1,CHEMBL3780285,8.04
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(=O)[nH][nH]c4c3)ccn2)CC1,CHEMBL3781581,7.01
+NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c[nH]nc4c3)ccn2)CC1,CHEMBL3781679,7.06
+NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cc(-c3ccc4c(N)noc4c3)ccn2)CC1,CHEMBL3781202,8.5
+Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc12,CHEMBL3809472,5.24
+CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3808853,4.97
+C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,CHEMBL3808399,5.04
diff --git a/chembl_200/CHEMBL283.csv b/chembl_200/CHEMBL283.csv
new file mode 100644
index 0000000000000000000000000000000000000000..382216fcce7a273001573b3f9629369c0b1e2c05
--- /dev/null
+++ b/chembl_200/CHEMBL283.csv
@@ -0,0 +1,635 @@
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+NC(=O)CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)O,CHEMBL77956,5.965
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+NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)O,CHEMBL307207,5.51
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+NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccccc2)CC(=O)O)cc1,CHEMBL432346,6.02
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+O=C(O)C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL91055,4.7
+O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL307211,6.02
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+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL306779,5.08
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+CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCCC1CO)C(C)C,CHEMBL117720,5.77
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C,CHEMBL325015,7.41
+CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO,CHEMBL117296,5.46
+CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL324369,5.57
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL11306,7.087999999999999
+CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1,CHEMBL419301,7.85
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO,CHEMBL116318,7.96
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL19611,7.465
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO,CHEMBL332891,4.4
+CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)O)CCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL349397,5.24
+CCCc1ccc(CC[C@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL352609,6.85
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+CCCc1ccc(CC[C@H](C[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL8256,7.17
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL281795,8.05
+CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30980,7.82
+CC(C)C[C@H](CP(=O)(O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30804,6.09
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+CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O)C(=O)O,CHEMBL30782,4.6
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL282146,5.35
+CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL283066,8.85
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+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO,CHEMBL87046,6.37
+CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,CHEMBL85766,6.44
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCO)CC(=O)NO,CHEMBL86468,5.66
+CC(C)C[C@@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL66098,6.39
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+CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL43152,8.36
+CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL42420,7.26
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+CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL398703,5.39
+CNC(=O)[C@H](CO)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL251901,4.51
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCSCC1,CHEMBL288015,6.42
+CCOC(=O)CNC(=O)Nc1n[nH]c(=S)s1,CHEMBL36682,4.07
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1,CHEMBL38263,6.09
+CNC(=O)[C@@H](NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1,CHEMBL399155,5.39
+CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL39309,5.89
+O=C(NCCCc1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL38419,4.8
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL40034,5.64
+COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL39392,6.54
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1,CHEMBL417697,6.03
+COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Nc3n[nH]c(=S)s3)CC2)cc1,CHEMBL264053,6.0
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,6.85
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)NC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8930,7.31
+CCCC[C@@H](C[C@@H](CCc1ccc(/C=C/c2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8578,7.19
+CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccccc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8539,5.82
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268143,6.92
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+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8984,6.46
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+CCCC[C@@H](C[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266367,5.42
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)C[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL266271,7.42
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+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccccc2)cc1)C[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL418335,7.09
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)O,CHEMBL267533,8.7
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc3ccccc23)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8914,5.7
+CCCC[C@@H](C[C@@H](CCc1ccc(C2CCCCCC2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268883,7.02
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8282,6.16
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(N)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8847,7.62
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8753,7.96
+CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccsc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266579,7.82
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)O,CHEMBL265342,8.4
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(S(C)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266133,7.28
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+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268405,7.68
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL265075,7.96
+CCCC[C@@H](C[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8580,7.13
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266294,5.03
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)C[C@H](CCCCN1Cc2ccccc2C1=O)C(=O)O)C(=O)Nc1ccccc1,CHEMBL8933,8.7
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+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8833,7.72
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+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(N)c2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)O,CHEMBL9102,7.57
+CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8634,6.85
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL9105,5.96
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ncc[nH]3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL267722,7.6
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8761,7.68
+CCCC[C@@H](C[C@@H](CCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8745,7.31
+CCCC[C@@H](C[C@@H](CCc1ccc(C2CCCO2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL418521,5.85
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8917,5.82
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(OC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL9074,7.89
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCc2ccccc21,CHEMBL151741,7.03
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCc2ccccc21,CHEMBL152104,6.24
+COc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)(C)C)cc1,CHEMBL85427,5.6
+COc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)NO)cc1,CHEMBL85108,6.63
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CC(C)C)C(=O)NO)cc1,CHEMBL313836,7.34
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](C(=O)NO)C(C)C)cc1,CHEMBL2093894,5.89
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NO)cc1,CHEMBL315043,7.15
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)c2ccccc2)cc1,CHEMBL82827,6.98
+COc1ccc(S(=O)(=O)N(CC(=O)NO)C2CCCCC2)cc1,CHEMBL420784,5.9
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(F)(F)F)cc1,CHEMBL84255,6.52
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccc(OC)c2)cc1,CHEMBL84235,7.15
+CCC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL85620,7.41
+COc1ccc(S(=O)(=O)N(CCCCc2ccccc2)CC(=O)NO)cc1,CHEMBL312152,7.0
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)cc1,CHEMBL314064,7.44
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](COC(C)(C)C)C(=O)NO)cc1,CHEMBL312952,7.32
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CC(C)(C)C)C(=O)NO)cc1,CHEMBL82212,7.55
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1,CHEMBL82558,5.49
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc3ccccc3n2)cc1,CHEMBL85869,6.87
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N(C)C)cc1,CHEMBL310559,5.36
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1,CHEMBL310422,5.75
+COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL82783,6.98
+COc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)NO)cc1,CHEMBL83091,5.95
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NO)cc1,CHEMBL314204,6.85
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NO)cc1,CHEMBL84918,7.54
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCSC)C(=O)NO)cc1,CHEMBL84153,7.51
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)cc1,CHEMBL313406,7.15
+CCCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL82047,7.2
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccnc2)cc1,CHEMBL314596,6.95
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)(C)C)cc1,CHEMBL84408,6.15
+COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NO)cc1,CHEMBL82331,7.18
+COc1ccc(S(=O)(=O)N(CCC2CCCCC2)CC(=O)NO)cc1,CHEMBL84814,7.42
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL311932,6.88
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1,CHEMBL316232,5.3
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL310347,5.27
+CC(C)CCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL82232,7.11
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1,CHEMBL86113,7.215
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCCCN(C)C)C(=O)NO)cc1,CHEMBL432572,7.16
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,7.04
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCS(C)(=O)=O)C(=O)NO)cc1,CHEMBL82855,7.07
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1,CHEMBL82203,6.03
+Cc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL310520,5.49
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc(Cl)cc2)cc1,CHEMBL312218,7.03
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,7.07
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCCCN(C)C)C(=O)NO)cc1,CHEMBL432385,7.09
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CC(C)(C)C)C(=O)NO)cc1,CHEMBL419491,7.38
+CCOCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL82869,5.95
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccn2)cc1,CHEMBL315558,7.05
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CC2CCCCC2)C(=O)NO)cc1,CHEMBL85319,7.36
+COc1ccc(S(=O)(=O)N(CCCc2ccccc2)CC(=O)NO)cc1,CHEMBL84598,6.9
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC2CCCCC2)cc1,CHEMBL314918,7.21
+CCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL83864,7.24
+CCC(C)N(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL84594,5.74
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc1,CHEMBL314059,6.82
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc(-c3ccccc3)cc2)cc1,CHEMBL314369,6.97
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,5.36
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccncc2)cc1,CHEMBL315949,6.72
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CC(C)C)C(=O)NO)cc1,CHEMBL83685,7.64
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CCN2CCOCC2)C(=O)NO)cc1,CHEMBL432760,7.3
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2ccc(O)cc2)C(=O)NO)cc1,CHEMBL82759,7.19
+COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NO)cc1,CHEMBL86189,7.03
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL85030,7.47
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,7.15
+CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1,CHEMBL315905,6.47
+O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1,CHEMBL91649,7.72
+COc1ccc([P@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347440,8.17
+COc1ccc([P@](=O)(OCCF)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154706,8.04
+COc1ccc([P@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL406939,8.48
+COc1ccc([P@](=O)(OCC(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL435462,8.18
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL62259,8.28
+CNC(=O)[C@@H]1CCCCNC(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL48258,7.62
+CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO,CHEMBL417537,8.71
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL61193,9.29
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL43087,8.48
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL56837,9.46
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL58577,8.68
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL57644,8.7
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL60536,7.3
+CNC(=O)[C@@H]1CCCNN1C(=O)[C@H](CCOc1ccc(-c2ccccc2)cc1)N[C@H](C)C(=O)O,CHEMBL301108,7.11
+CCCCc1ccc(OCC[C@H](N[C@H](C)C(=O)O)C(=O)N2NCCC[C@H]2C(=O)NC)cc1,CHEMBL442161,6.26
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)C(=O)O,CHEMBL296368,7.68
+CNC(=O)[C@@H]1CCCNN1C(=O)[C@H](CCOc1ccc(Cc2ccccc2)cc1)N[C@H](C)C(=O)O,CHEMBL48773,6.26
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2)cc1)C(=O)N1NCCC[C@H]1C(=O)NC)C(=O)O,CHEMBL48634,7.38
+CCN(CC)CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171292,7.08
+COc1ccc(P(=O)(OC(C)C)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173744,7.61
+CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172548,7.46
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2CC1C(=O)NO,CHEMBL171962,7.91
+CCOP(=O)(c1ccc(F)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172885,7.19
+CCOCCOc1ccc(P(=O)(OCC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL353536,7.53
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO,CHEMBL172249,8.69
+CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368857,8.27
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2nccnc2CC1C(=O)NO,CHEMBL177072,7.97
+CCOP(=O)(c1ccncc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171986,6.72
+CCOP(=O)(c1cccs1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL367710,7.17
+CCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368205,7.62
+CCOP(=O)(c1ccc(C)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172886,7.14
+CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL436049,6.79
+CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL539171,8.36
+CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173686,8.31
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2CC1C(=O)NO,CHEMBL173316,8.28
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+CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL175164,7.94
+CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL355797,9.28
+CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL425316,9.3
+CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)NO,CHEMBL173235,7.83
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+COc1ccc(P(=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173754,7.89
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+O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,CHEMBL440498,8.03
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+CCOP(=O)(N[C@H](CC(C)C)C(=O)NO)c1ccc(OC)cc1,CHEMBL59692,7.16
+CCOCCOc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL419503,7.38
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL93620,8.59
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+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90321,8.11
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+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1,CHEMBL327578,8.74
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+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2C(=O)NO)cc1,CHEMBL93067,7.36
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+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(=O)N1CCOCC1)NO,CHEMBL306608,8.86
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+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCCCN1CCOCC1)NO,CHEMBL74308,8.62
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+CN(C)CCCCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL77659,7.65
+CNC(=O)[C@@H]1Cc2cn(c3ccccc23)CCCCO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88718,8.54
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,CHEMBL91636,8.11
+CNC(=O)[C@@H]1CCCCN(C)C(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL92385,8.52
+CNC(=O)[C@@H]1CCCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL328090,7.79
+CNC(=O)[C@@H]1CSc2ccccc2NC(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL329124,7.65
+CNC(=O)[C@@H]1CCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL433381,7.32
+CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88520,7.85
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL41821,7.94
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H]3OC(C)(C)O[C@@H]3[C@@H]2C(=O)NO)cc1,CHEMBL288843,7.24
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL288664,7.53
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL291264,9.37
+COc1ccc([P@](=O)(OCCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL155134,7.53
+COc1ccc([P@@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154999,6.21
+CCOCCOc1ccc([P@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL346575,7.32
+CCOCCOc1ccc([P@](=O)(OCC)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347209,7.52
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C(C)c2ccccc2)cc1,CHEMBL43667,6.52
+COc1ccc(S(=O)(=O)C(CC(=O)NO)c2ccccc2)cc1,CHEMBL42537,5.48
+CCCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL44045,6.13
+CCOC(=O)C1CCCC(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL40746,7.22
+COc1ccc(S(=O)(=O)C(CC(=O)NO)CC(C)CC(C)(C)C)cc1,CHEMBL42771,6.17
+COc1ccc(S(=O)(=O)C(CCC2CCCCC2)CC(=O)NO)cc1,CHEMBL46963,6.23
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C2CCCCC2)cc1,CHEMBL43704,7.07
+CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL42040,6.74
+COc1ccc(S(=O)(=O)C(COCc2ccccc2)CC(=O)NO)cc1,CHEMBL45208,5.84
+CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL43447,6.39
+COC(=O)c1ccc(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL43011,5.35
+CNC(=O)[C@@H]1CCCCNC(=O)C[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL46183,4.46
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL50228,4.87
+CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(=O)O,CHEMBL48786,4.85
+CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL298167,5.54
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccc(-c3ccccc3)cc2)C(=O)N1,CHEMBL48256,5.62
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)O)CC(C)C,CHEMBL309794,4.72
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)NO,CHEMBL75419,5.66
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)NO)CC(C)C,CHEMBL306985,5.39
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL308799,4.53
+CCCCCCC(CC(=O)NO)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL77013,5.4
+CNC(=O)[C@@H]1CCCNCCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL34085,6.58
+CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32631,6.43
+CNC(=O)[C@@H]1CCCN(C(C)=O)CC(C)CO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32596,6.57
+CNC(=O)[C@@H]1CCCN(C(C)=O)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32325,7.42
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL306090,7.82
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL433314,8.01
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL72511,9.05
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccccc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL76297,7.88
+O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1,CHEMBL291833,4.72
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1,CHEMBL66143,4.28
+O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1,CHEMBL291603,5.44
+CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1,CHEMBL440124,7.855
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL65709,5.1
+Cc1cc(C)c(S(=O)(=O)n2cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c3ccccc32)c(C)c1,CHEMBL65017,4.28
+O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1,CHEMBL65134,4.15
+CC(C)(C)OC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)O,CHEMBL63415,4.55
+O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1,CHEMBL302422,4.96
+CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(=O)Nc1ccccc1,CHEMBL2370820,4.47
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O,CHEMBL65234,4.08
+CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(=O)NCCc1ccccn1,CHEMBL87113,8.22
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOCc1ccccc1)CC(=O)NO,CHEMBL85806,7.72
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1cccc(C)c1)CC(=O)NO)C(C)(C)C,CHEMBL85987,7.27
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(C)cc1)CC(=O)NO)C(C)(C)C,CHEMBL314251,7.77
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1cccc(Cl)c1)CC(=O)NO)C(C)(C)C,CHEMBL431601,6.95
+CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(=O)NCCN1CCCC1,CHEMBL87775,8.3
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(Cl)c(Cl)c1)CC(=O)NO)C(C)(C)C,CHEMBL314051,7.21
+CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(=O)NCCC(=O)O,CHEMBL313140,8.52
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(C(C)C)cc1)CC(=O)NO)C(C)(C)C,CHEMBL87990,7.92
+CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(=O)NCCc1ccccc1,CHEMBL420786,8.3
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(C)(C)C,CHEMBL315493,8.22
+CCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1,CHEMBL87460,7.96
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(F)cc1)CC(=O)NO)C(C)(C)C,CHEMBL406131,7.42
+CCCC(=O)NCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,CHEMBL313356,6.15
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(C)(C)C,CHEMBL421161,8.05
+CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(=O)NCCCC(=O)O,CHEMBL431408,8.7
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(OC)cc1)CC(=O)NO)C(C)(C)C,CHEMBL441455,7.39
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(C(C)(C)C)cc1)CC(=O)NO)C(C)(C)C,CHEMBL313207,7.8
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1cccc(OC)c1)CC(=O)NO)C(C)(C)C,CHEMBL88302,7.19
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCN)C(=O)Nc1ccccc1,CHEMBL2370824,5.28
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1,CHEMBL2370817,5.89
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1,CHEMBL2370819,6.27
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NC(CCCCCCCCCN)C(=O)Nc1ccccc1,CHEMBL343378,6.96
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1,CHEMBL135641,6.19
+COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)cc1,CHEMBL135448,6.64
+COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)c1,CHEMBL422799,6.23
+CC(C)C[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1,CHEMBL2370822,5.8
+C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCN)C(=O)Nc1ccccc1,CHEMBL135640,5.8
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL280144,6.15
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)[C@H](C)NCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL434769,5.72
+CC(C)CC(NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL276960,6.39
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL277899,6.43
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1,CHEMBL20696,6.03
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL283569,6.68
+CC(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL19827,6.47
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)[C@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL282446,5.62
+CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL278334,7.38
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL430912,5.72
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL20256,6.48
+CC(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)NCP(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL21198,7.82
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL21137,5.85
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCP(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL276572,5.89
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](C)NC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1,CHEMBL277010,7.62
+CC(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL21141,8.21
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL283526,6.25
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL282043,6.22
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL20471,5.34
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1,CHEMBL281409,7.7
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL280946,6.55
+CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1,CHEMBL281630,6.55
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccccc3)cc2)C(=O)N1,CHEMBL178509,5.35
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N1,CHEMBL180616,6.37
+COC(=O)c1ccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)cc1,CHEMBL359716,5.89
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(C(=O)O)cc3)cc2)C(=O)N1,CHEMBL180275,5.49
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)N1,CHEMBL178163,6.96
+CNC(=O)C1CCCCNC(=O)CCC(C(=O)O)NC(CCc2ccccc2)C(=O)N1,CHEMBL381189,5.54
+COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1,CHEMBL202932,7.4
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1,CHEMBL382705,8.3
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1,CHEMBL207756,7.96
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CO)C(=O)NO)cc1,CHEMBL206875,6.52
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CN2C(=O)N(C)C(C)(C)C2=O)C(=O)NO)cc1,CHEMBL438964,6.73
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C,CHEMBL208181,7.92
+Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cc2)c2ccccc2n1,CHEMBL208009,7.04
+Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCOCC3)cc2)c2ccccc2n1,CHEMBL207305,7.09
+Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,CHEMBL228268,6.25
+Cc1cc(COc2ccc(C(=O)NCC3(Cc4ccccc4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL440048,5.43
+Cc1cc(COc2ccc(C(=O)NC3(Cc4n[nH]c(=S)[nH]4)CCOCC3)cc2)c2ccccc2n1,CHEMBL247140,5.68
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,CHEMBL403186,5.58
+CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,CHEMBL447787,5.41
+C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL271235,7.27
+Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1,CHEMBL404019,5.53
+CC(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL403539,5.48
+CCc1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL429674,5.48
+CC(C)c1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL271938,6.12
+CC(C)c1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1,CHEMBL402118,5.57
+Cc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1,CHEMBL402636,6.2
+Cc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL258055,5.95
+CCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL272512,5.51
+Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL272102,5.43
+C#CCN1C[C@@H](NC(=O)c2ccc(Cc3c(C)[nH]c4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL255418,6.07
+Cc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL269834,4.24
+Cc1cc(COc2ccc(C(=O)N[C@]3(CC(=O)NO)C[C@H](C)N[C@H](C)C3)cc2)c2ccccc2n1,CHEMBL495502,6.12
+O=S(=O)(CCC(S)CS)c1ccc(Oc2ccccc2)cc1,CHEMBL520785,5.0
+CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL485492,4.91
+CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL445971,5.44
+O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1,CHEMBL483857,4.82
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1,CHEMBL507420,7.4
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)CC(C)C,CHEMBL508335,6.38
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL590343,4.77
+O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL591774,5.11
+COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078396,5.0
+CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651842,6.23
+COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CC1,CHEMBL1771216,8.06
+Cc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)nc1,CHEMBL1771217,7.36
+Cc1ccc(-c2nnnn2CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)nc1,CHEMBL1771218,8.52
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CCOCC1,CHEMBL1771219,7.51
+CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CC1,CHEMBL1771220,7.43
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cnc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1,CHEMBL1771221,7.23
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cncc3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771222,6.89
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771223,8.0
+COc1ccc(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1,CHEMBL1770700,6.05
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CCOCC1,CHEMBL1771215,7.55
+O=C(NCc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779630,4.72
+N=C(N)NCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834420,4.39
+Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834422,4.63
+CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1,CHEMBL2012838,4.51
+O=S(=O)(CC1CS1)c1ccc(Oc2cccc(F)c2)cc1,CHEMBL2063271,4.57
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(CO)cc2)cc1,CHEMBL2063273,5.39
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(O)cc2)cc1,CHEMBL2063274,5.66
+CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063275,4.77
+COCOc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063276,4.92
+O=S(=O)(N[C@@H]1CNC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380405,5.8
+O=S(=O)(N[C@H]1CNC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380399,5.415
+NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380403,5.7
+CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380402,6.09
+O=C(NCCN1C(=O)c2ccccc2C1=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380314,7.43
+CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL2380401,6.46
+NC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380400,6.34
+O=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380396,4.0
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(-c2ccccc2)cc1,CHEMBL2380394,5.0
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380390,8.72
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380389,7.51
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380388,6.52
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(C)=O)C[C@H]1S,CHEMBL2380387,6.0
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S,CHEMBL2380406,5.39
+NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O,CHEMBL3670706,6.98
+NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675570,6.97
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675563,7.16
+NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CCCOC=O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670699,6.24
+O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,CHEMBL3675573,7.47
+CC[C@H](NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3670701,7.11
+O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,CHEMBL3675603,6.1
+CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O,CHEMBL3675571,6.59
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675579,6.94
+NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1,CHEMBL3670704,6.12
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1,CHEMBL3670702,6.16
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675576,6.6
+NCCCC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675574,6.52
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL1232487,7.21
+CC[C@H](NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675557,6.06
+CC[C@H](NC(=O)CCc1ccc(-c2csnn2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3670720,6.55
+C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O,CHEMBL3670708,6.34
+NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670692,6.62
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)Cc1ccc(-c2cc(-c3ccccc3)cs2)cc1,CHEMBL3675605,6.24
+NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670694,6.05
+NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675567,6.21
+NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670691,6.93
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)s2)cc1,CHEMBL3675593,6.97
+C[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675577,6.85
+CC[C@H](NC(=O)CCc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675543,7.06
+NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3675566,6.77
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+NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3639695,7.07
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diff --git a/chembl_200/CHEMBL284.csv b/chembl_200/CHEMBL284.csv
new file mode 100644
index 0000000000000000000000000000000000000000..66a5bab58b5c21f15b296c18951dd748a47c6332
--- /dev/null
+++ b/chembl_200/CHEMBL284.csv
@@ -0,0 +1,501 @@
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+CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(F)cc1,CHEMBL202035,6.55
+N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1,CHEMBL199297,5.05
+N[C@@H](Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)N1CCSC1,CHEMBL199787,7.02
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+N#Cc1ccc(-c2ccc(C[C@H](N)C(=O)N3CCSC3)cc2)cc1,CHEMBL199735,6.8
+N[C@@H](Cc1ccc(-c2cccc(C(=O)O)c2)cc1)C(=O)N1CCSC1,CHEMBL199315,6.78
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+N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1,CHEMBL199437,6.44
+N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccco2)cc1,CHEMBL380783,7.44
+N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccc(F)cc2F)cc1,CHEMBL199905,8.66
+N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2F)cc1,CHEMBL199615,8.28
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+Cc1ccc(-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1,CHEMBL199568,7.7
+N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1,CHEMBL200347,7.89
+N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(C(=O)O)cc1,CHEMBL382281,6.33
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+N#CCN(C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CC1,CHEMBL383012,6.73
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+C[C@@H](C#N)NC(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2,CHEMBL377944,6.4
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+CC(C)(C)[C@H](N)C(=O)N(CC#N)C1CC1,CHEMBL203634,5.88
+C=CCN(CC#N)C(=O)[C@@H](N)C(C)(C)C,CHEMBL206184,6.67
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+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(C(=O)O)c3ccccc23)N1,CHEMBL380090,8.88
+CS(=O)(=O)c1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Br)c1,CHEMBL382899,9.15
+CS(=O)(=O)c1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1,CHEMBL210805,8.997
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)c[n+]([O-])c2Cl)N1,CHEMBL382700,8.977
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)cnc2Cl)N1,CHEMBL377296,9.297
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)ccc2Br)N1,CHEMBL377151,9.043
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(C(=O)O)cc2Br)N1,CHEMBL384445,9.263
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)ccc2Cl)N1,CHEMBL378867,9.073
+CC(C)(C)c1cc(C(=O)O)ccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL382003,8.42
+CC(C)c1cc(C(=O)O)ccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL436744,8.547
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+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(C(=O)O)cc2Cl)N1,CHEMBL379999,8.9
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+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc3c(c2)CCCC3)N1,CHEMBL210848,5.54
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc3ccccc3c2)N1,CHEMBL379812,8.6
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc3c(c2)OCO3)N1,CHEMBL379368,8.57
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cccnc2Cl)N1,CHEMBL378010,9.14
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(Cl)cc2C(=O)O)N1,CHEMBL210867,8.0
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(Cl)cc2Cl)N1,CHEMBL209941,8.8
+N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1,CHEMBL209940,9.22
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2c(Cl)cccc2Cl)N1,CHEMBL210691,7.12
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccccc2Cl)N1,CHEMBL377390,9.07
+Cc1ccccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL382167,8.46
+N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)cc1,CHEMBL207650,8.36
+COc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)cc1,CHEMBL377146,7.96
+Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)cc1,CHEMBL380894,8.14
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COCc2ccccc2)N1,CHEMBL379340,7.52
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](COc2ccc(Br)cc2)N1,CHEMBL379144,7.27
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(Br)cc2)N1,CHEMBL380707,8.34
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccccc2)N1,CHEMBL206573,8.17
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)N1,CHEMBL209405,5.79
+CN(C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1)c1ccccc1,CHEMBL210407,7.31
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CNc2ccc(Br)cc2)N1,CHEMBL210305,8.05
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CNc2ccccc2)N1,CHEMBL379294,7.92
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)N1,CHEMBL208855,7.36
+COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)cc1,CHEMBL210193,8.17
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CNC(=O)Nc2ccccc2)N1,CHEMBL210278,7.82
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccccc2)N1,CHEMBL437884,7.7
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2)N1,CHEMBL208469,5.88
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2)N1,CHEMBL380309,5.89
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](c2ccccc2)N1,CHEMBL210844,6.14
+CC(C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL377158,6.5
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](CO)N1,CHEMBL210665,6.06
+N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](CO)N1,CHEMBL376947,6.12
+C=C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL210485,6.84
+C=C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL209518,7.68
+CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL210364,6.99
+CC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL208968,7.48
+C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1,CHEMBL210869,8.08
+N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1,CHEMBL98869,10.09
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)CC(C)C,CHEMBL217766,8.1
+CC(C)C[C@H](N)C(=O)N1[C@H](C#N)CC[C@H]1C,CHEMBL217032,7.31
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1,CHEMBL217252,8.1
+C[C@@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1,CHEMBL217001,7.01
+C=C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1,CHEMBL385024,5.42
+CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1,CHEMBL387232,7.62
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCCC1,CHEMBL386022,7.02
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1,CHEMBL217654,7.66
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCCC1,CHEMBL217155,7.1
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CN[C@H]1CC[C@H](O)CC1,CHEMBL385247,7.05
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CN[C@H]1CC[C@H](Oc2ccc(C#N)cn2)CC1,CHEMBL217040,8.3
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC(C)(C)C,CHEMBL385904,7.6
+C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1,CHEMBL385483,6.09
+CC#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1,CHEMBL217138,6.02
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,CHEMBL386654,7.21
+N#Cc1ccc(O[C@H]2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)CC2)nc1,CHEMBL3085037,8.4
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C#N)cn2)CC1,CHEMBL387297,8.52
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C(=O)O)cn2)CC1,CHEMBL216957,8.89
+C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2cc(C(=O)O)ccn2)CC1,CHEMBL386369,9.0
+CC1(NCC(=O)N2CCC[C@H]2C#N)CCN(c2cc(C(=O)O)ccn2)CC1,CHEMBL217455,9.0
+N[C@H]1CC=CC[C@@H]1c1ccccc1Cl,CHEMBL216578,6.09
+N[C@H]1CC(CN2CCC(C(=O)O)CC2)=CC[C@@H]1c1ccc(Cl)cc1Cl,CHEMBL387043,7.35
+N[C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1,CHEMBL216622,7.92
+N[C@H]1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1,CHEMBL437341,8.845
+NC(=O)c1cccc(NC(=O)C2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H](N)C2)c1,CHEMBL217358,8.33
+NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H](N)C2)c1,CHEMBL410514,8.44
+NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H](N)C2)c1,CHEMBL274660,8.22
+Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2C#N)n(C)c1=O,CHEMBL1161916,8.7
+CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O,CHEMBL1161919,8.7
+Cn1ncc2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O,CHEMBL1161921,8.3
+CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O,CHEMBL1161922,8.05
+CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2C1=O,CHEMBL1161923,8.0
+CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3OC(F)(F)F)c2C1=O,CHEMBL1161910,7.66
+Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(C#N)c3)c2c1=O,CHEMBL1161912,5.92
+Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O,CHEMBL1161913,7.96
+N#Cc1ccccc1Cn1c(N2CCCC(N)C2)nc2c1C(=O)N(Cc1ccccc1)C2=O,CHEMBL1161917,7.54
+NC1CCCN(c2nc3c(n2Cc2ccccc2C(F)(F)F)C(=O)c2ccccc2C3=O)C1,CHEMBL1161920,7.6
+COc1ccc2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2c1F,CHEMBL1161918,7.24
+NC1CCCN(c2nc3ccc[n+]([O-])c3n2Cc2ccccc2)C1,CHEMBL541921,6.52
+Cn1ncc2c(nc(N3CCCC(N)C3)n2Cc2ccccc2C#N)c1=O,CHEMBL1161911,6.59
+CNC(=O)c1nc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1C(=O)NC,CHEMBL1161914,6.35
+Cn1c(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n1C,CHEMBL1161915,7.96
+CC(=O)NCC(=O)N1CCC[C@H]1B(O)O,CHEMBL217561,6.42
+CC(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O,CHEMBL216410,5.37
+O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCC1,CHEMBL217244,5.04
+O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCCC1,CHEMBL387444,5.13
+O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccccc1,CHEMBL217753,4.42
+O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cc(Cl)ccc1Cl,CHEMBL386890,5.02
+O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1c(Cl)cccc1Cl,CHEMBL443836,5.16
+CC(=O)N(C)CC(=O)N1CCC[C@H]1B(O)O,CHEMBL217754,5.34
+CC(C)C(=O)N(C)CC(=O)N1CCC[C@H]1B(O)O,CHEMBL216376,4.71
+CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1,CHEMBL385419,4.95
+CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)C1CCC(=O)N1,CHEMBL217056,7.17
+CS(=O)(=O)NCC(=O)N1CCC[C@H]1B(O)O,CHEMBL217065,5.84
+O=C1c2ccccc2CN1CC(=O)N1CCC[C@H]1B(O)O,CHEMBL387050,4.64
+N[C@H]1CN(c2ccccc2)C(=O)C[C@@H]1c1ccccc1Cl,CHEMBL221608,5.8
+N[C@H]1CN(c2cc(N3CCn4cc(C(F)(F)F)nc4C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL222144,8.52
+N[C@H]1CN(c2cc(N3CC[C@@H](O)C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL222908,8.64
+N[C@H]1CN(c2cc(N3CCC(F)(F)C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL434740,8.8
+CCN(CC)c1cc(N2C[C@H](N)[C@@H](c3cc(F)c(F)cc3F)CC2=O)ncn1,CHEMBL222627,7.64
+N[C@H]1CN(c2cc(N3CCCCC3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL426735,7.96
+N[C@H]1CN(c2cc(N3CCCC3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL224882,8.64
+CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H](N)[C@@H](c4cc(F)c(F)cc4F)CC3=O)n2)c1,CHEMBL268359,7.89
+CS(=O)(=O)c1cccc(-c2cc(N3C[C@H](N)[C@@H](c4cc(F)c(F)cc4F)CC3=O)ncn2)c1,CHEMBL222323,8.4
+N[C@H]1CN(C(=O)Nc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL221557,6.85
+N[C@H]1CN(CCc2cccc(C(=O)O)c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL221402,8.42
+CS(=O)(=O)c1cccc(CCN2C[C@H](N)[C@@H](c3cc(F)c(F)cc3F)CC2=O)c1,CHEMBL426896,8.4
+CS(=O)(=O)c1ccc(CCN2C[C@H](N)[C@@H](c3cc(F)c(F)cc3F)CC2=O)cc1,CHEMBL222626,7.92
+N[C@@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@H]1c1cc(F)c(F)cc1F,CHEMBL387351,6.98
+N[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL538090,8.377
+N[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL222379,7.62
+N[C@H]1CN(CCN2CCOCC2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL375437,6.23
+C[C@H](CN1C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)CC1=O)c1ccccc1,CHEMBL223040,7.08
+N[C@H]1CN(CCCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL222909,6.57
+N[C@H]1CN(CCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL373922,7.77
+N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL224091,6.36
+N[C@H]1CN(CC2CCCCC2)C(=O)C[C@@H]1c1ccccc1Cl,CHEMBL375494,6.03
+N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1Cl,CHEMBL222327,5.85
+N[C@H]1CN(c2cc(-c3ccccc3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,CHEMBL376862,8.21
+C[C@@H](B(O)O)N1CC[C@@H](N)C1=O,CHEMBL2068511,8.64
+C[C@@H](B(O)O)N1CC[C@H](N)C1=O,CHEMBL2068512,5.96
+CN(C)C(=O)[C@@H](c1ccc(-c2ccc3ncnn3c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,CHEMBL237337,8.37
+O=C(CNC12CC3CC(CC(O)(C3)C1)C2)N1CC[C@@H]2C[C@@H]21,CHEMBL391212,5.51
+CC12CC3(C)CC(O)(C1)CC([C@H](N)C(=O)N1CCCCC1)(C2)C3,CHEMBL236481,6.22
+CC12CC3(C)CC(O)(C1)CC([C@H](N)C(=O)N1CC[C@@H]4C[C@@H]41)(C2)C3,CHEMBL391211,8.54
+N[C@H](C(=O)N1CC2CC2C1)C12CC3CC(O)(CC(O)(C3)C1)C2,CHEMBL236480,6.57
+N[C@H](C(=O)N1Cc2ccccc2C1)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL399411,5.85
+N[C@H](C(=O)N1CCSC1)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL236479,7.55
+N[C@H](C(=O)N1CCC=N1)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL236266,5.48
+N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL236057,7.31
+N[C@H](C(=O)N1CC[C@@H]2C[C@H]21)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL238235,5.71
+N[C@H](C(=O)N1CC[C@@H]2C[C@@H]21)C12CC3CC(O)(CC(O)(C3)C1)C2,CHEMBL238026,7.85
+N[C@H](C(=O)N1CC[C@@H]2C[C@@H]21)C12CC3CC(CC(O)(C3)C1)C2,CHEMBL238024,8.0
+CC1(C)CC([C@H](N)C(=O)N2CC[C@@H]3C[C@@H]32)CC(C)(C)C1,CHEMBL238232,6.82
+CC(C)C(C(C)C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL391186,6.95
+CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL238226,6.45
+CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL238225,6.14
+CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL238014,6.28
+CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL238013,5.97
+CC(C)(C)C[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL395184,6.0
+CCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL236310,5.49
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL235225,5.52
+N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL238221,6.06
+N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2C[C@@H]21,CHEMBL235868,5.44
+NC1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1Cl,CHEMBL395208,5.47
+CS(=O)(=O)c1cc(F)cc(-c2cc(N3CC(N)C(c4cc(F)c(F)cc4F)C3)ncn2)c1,CHEMBL246529,8.05
+CN(C)C(=O)c1cccc(-c2cc(N3CC(N)C(c4cc(F)c(F)cc4F)C3)ncn2)c1,CHEMBL245781,8.15
+NC1CN(c2cc(-c3ccc(C(=O)O)cc3)ncn2)CC1c1cc(F)c(F)cc1F,CHEMBL245780,7.07
+NC1CN(c2cc(-c3ccsc3)ncn2)CC1c1cc(F)c(F)cc1F,CHEMBL536086,7.995
+NC1CN(c2cc(-c3ccccc3)ncn2)CC1c1cc(F)c(F)cc1F,CHEMBL246782,7.7
+NC1CN(c2cc(-c3ccsc3)ncn2)CC1c1cc(F)c(F)cc1Cl,CHEMBL246574,7.46
+NC1CN(c2cc(-c3ccsc3)ncn2)CC1c1ccc(F)cc1Cl,CHEMBL247182,7.47
+NC1CN(c2cc(-c3ccsc3)ncn2)CC1c1ccc(Cl)cc1Cl,CHEMBL392432,7.82
+NC1CN(c2ccnc(-c3ccsc3)n2)CC1c1ccc(Cl)cc1Cl,CHEMBL246981,6.7
+NC1CN(c2nccc(-c3ccsc3)n2)CC1c1ccc(Cl)cc1Cl,CHEMBL246980,7.12
+NC1CN(c2nccc(-c3ccccc3)n2)CC1c1ccc(Cl)cc1Cl,CHEMBL392431,6.85
+COc1ccc(-c2cnc(N3CC(N)C(c4ccc(Cl)cc4Cl)C3)nc2)cc1,CHEMBL245356,6.37
+NC1CN(c2ncccn2)CC1c1ccc(Cl)cc1Cl,CHEMBL245355,6.68
+NC1CN(c2ccccn2)CC1c1ccc(Cl)cc1Cl,CHEMBL245354,6.1
+NC1CN(c2ccccc2)CC1c1ccc(Cl)cc1Cl,CHEMBL396300,5.55
+Cc1cccc(COC(=O)N2CC(N)C(c3ccc(Cl)cc3Cl)C2)n1,CHEMBL247775,6.62
+CCOC(=O)N1CC(N)C(c2ccc(Cl)cc2Cl)C1,CHEMBL247774,6.31
+COc1cccc(CN(C)C(=O)N2CC(N)C(c3ccc(Cl)cc3Cl)C2)c1,CHEMBL245748,6.66
+CCN(C)C(=O)N1CC(N)C(c2ccc(Cl)cc2Cl)C1,CHEMBL395688,6.21
+NC1CN(C(=O)NCc2cccc(F)c2)CC1c1ccc(Cl)cc1Cl,CHEMBL245747,6.72
+CCNC(=O)N1CC(N)C(c2ccc(Cl)cc2Cl)C1,CHEMBL395687,6.55
+Cc1ccc(S(=O)(=O)N2CC(N)C(c3ccc(Cl)cc3Cl)C2)cc1,CHEMBL245552,4.89
+CC(=O)N1CC(N)C(c2ccc(Cl)cc2Cl)C1,CHEMBL395686,5.57
+NC1CN(c2cc(-c3cccc(C(=O)O)c3)ncn2)CC1c1cc(F)c(F)cc1F,CHEMBL245585,8.87
+CS(=O)(=O)c1cccc(-c2ncnc(N3CC(N)C(c4cc(F)c(F)cc4F)C3)n2)c1,CHEMBL246530,8.785
+CS(=O)(=O)c1cccc(-c2cc(N3CC(N)C(c4cc(F)c(F)cc4F)C3)ncn2)c1,CHEMBL428223,8.465
+NC1CN(c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)ncn2)CC1c1cc(F)c(F)cc1F,CHEMBL246322,8.63
+N#Cc1ccc(N2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)cc1,CHEMBL520575,7.1
+N#Cc1ccc(N2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)nc1,CHEMBL480530,7.51
+N#C[C@@H]1C[C@H](F)CN1C(=O)CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1,CHEMBL519435,7.92
+N#Cc1ccc(N2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)c(C(F)(F)F)c1,CHEMBL480716,8.3
+N#Cc1c(F)cc(N2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)cc1F,CHEMBL480903,9.0
+CC(=O)N[C@H](C(=O)N1CCC[C@H]1B(O)O)C(C)C,CHEMBL460984,5.48
+C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O,CHEMBL501506,7.77
+C[C@H](NC(=O)[C@@H](N)CCC(=O)O)B(O)O,CHEMBL447366,8.08
+N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1B(O)O,CHEMBL494497,8.74
+N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3[C@@H](C#N)C[C@H]4C[C@H]43)C2)cc1Cl,CHEMBL458744,8.44
+Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209459,7.55
+Cc1nc2c(-c3ccccc3)cnn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209537,7.85
+Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209538,7.66
+CCC(=O)c1cnn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc12,CHEMBL1209539,7.14
+Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209540,7.3
+Cc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209541,7.7
+Cc1nc2cc(-c3ccco3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209609,7.37
+Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209610,7.48
+COc1ccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)cc1,CHEMBL1209611,7.52
+Cc1ccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)cc1,CHEMBL1209612,7.55
+Cc1cccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)c1,CHEMBL1209613,7.12
+Cc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209680,6.79
+Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209681,7.19
+Cc1nc2nc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209682,7.17
+COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209683,6.86
+Cc1nc2nc(C(=O)Nc3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209684,7.03
+CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209764,7.14
+CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209765,7.3
+COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,CHEMBL1209766,7.74
+Cc1nc2nc(N3CCCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209767,7.3
+Cc1nc2nc(N3CCOCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209768,7.51
+Cc1nc2nc(N3CCSCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209849,7.54
+Cc1nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209850,6.35
+Cc1nc2nc(N3CCNCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209851,6.97
+Cc1nc2nccn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209852,7.92
+Cc1nc2nc(-c3ccccc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1209853,8.22
+Cc1nc2nc(-c3ccccc3Cl)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1208840,7.74
+Cc1nc2nc(-c3cccc(Cl)c3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1208841,7.62
+Cc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1208842,8.05
+Cc1ccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)cc1,CHEMBL1208843,7.66
+COc1cccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)c1,CHEMBL1208844,7.42
+COc1ccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)cc1,CHEMBL1208900,8.25
+CCN(CC)C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1,CHEMBL1214877,8.62
+Cc1nc2nc(C(=O)N3CCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1214942,8.54
+Cc1nc2nc(C(=O)N3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1214943,8.66
+Cc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1214944,8.51
+Cc1nc2nc(C(=O)NC3CCN(C(C)C)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1214945,8.3
+Cc1nc2nc(C(=O)NCCN3CCCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215015,8.06
+Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215016,9.0
+COC[C@H]1CCCN1C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1,CHEMBL1215017,8.51
+Cc1nc2nc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215018,9.7
+Cc1nc2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215087,9.3
+Cc1nc2nc(C(=O)N(C)CCS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215088,9.52
+Cc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1,CHEMBL1215089,9.05
+Cc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1,CHEMBL1215090,8.18
+Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215163,8.7
+Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215164,9.22
+Cc1nc2nc(C(=O)Nc3ccn(C)n3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215165,8.74
+Cc1nc2nc(C(=O)Nc3ccon3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215166,8.42
+Cc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215167,8.59
+CCn1nccc1NC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1,CHEMBL1215233,8.96
+Cc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215234,8.7
+Cc1nc2nc(C(=O)NCc3cccs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215235,8.49
+Cc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215236,9.15
+Cc1nc2nc(C(=O)N(C)Cc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215299,8.59
+Cc1nc2nc(C(=O)NCc3ccco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215300,8.4
+Cc1nc2nc(C(=O)N(C)Cc3ccco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215301,9.05
+Cc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215302,8.3
+Cc1nc2nc(C(=O)NCCc3cnc[nH]3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215373,8.33
+Cc1cccc(CNCC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1,CHEMBL1215374,8.27
+Cc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215375,8.82
+Cc1nc2nc(C(=O)NCCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215376,8.85
+Cc1nc2nc(C(=O)NCCc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1215448,8.89
+COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1,CHEMBL1270560,7.02
+COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1,CHEMBL1270657,6.62
+COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1,CHEMBL1270757,5.82
+COc1ccccc1-c1cn2c(-c3c(Cl)cccc3Cl)c(CN)c(C)nc2n1,CHEMBL1270758,6.95
+COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1,CHEMBL1270859,6.21
+COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1,CHEMBL1270860,6.26
+COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1,CHEMBL1270961,6.31
+COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1,CHEMBL1270962,6.36
+COc1ccccc1-c1cn2c(-c3c(C)cc(C)cc3C)c(CN)c(C)nc2n1,CHEMBL1271170,6.95
+COc1ccccc1-c1cn2c(-c3c(F)cc(C)cc3F)c(CN)c(C)nc2n1,CHEMBL1271171,7.57
+COc1ccccc1-c1cn2c(-c3c(Cl)cc(Cl)cc3Cl)c(CN)c(C)nc2n1,CHEMBL1271270,7.72
+N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)C[C@@H]1N1CC(F)(F)CCC1=O,CHEMBL1683571,7.84
+CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC,CHEMBL214381,5.66
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)NCc1cccnc1)C2=O,CHEMBL1910126,9.59
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)Nc1ccnn1C)C2=O,CHEMBL1910125,9.4
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCOCC1)C2=O,CHEMBL1910124,9.51
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCCC1)C2=O,CHEMBL1910123,9.52
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCN(C)CC1)C2=O,CHEMBL1910122,9.17
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)C2=O,CHEMBL1910121,9.34
+CC(=O)N1CCN(C(=O)CN2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)CC1,CHEMBL1910120,9.26
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCC(C(N)=O)CC1)C2=O,CHEMBL1910119,9.54
+CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O,CHEMBL1910118,9.37
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N(C)C)C2=O,CHEMBL1910117,9.57
+CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O,CHEMBL1910116,9.43
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(N)=O)C2=O,CHEMBL1910115,8.82
+COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O,CHEMBL1910114,8.4
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CCO)C2=O,CHEMBL1910113,8.05
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)O)C2=O,CHEMBL1910112,8.4
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(C)C2=O,CHEMBL1910110,7.54
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CNC2=O,CHEMBL1909647,7.85
+CSc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O,CHEMBL1910109,7.92
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccc(C#N)cc1)C2=O,CHEMBL1910108,8.4
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccc(F)cc1)C2=O,CHEMBL1910107,8.05
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccc(Cl)cc1)C2=O,CHEMBL1909994,7.74
+Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O,CHEMBL1909993,8.05
+Cc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1,CHEMBL1909992,7.92
+COc1cccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)c1,CHEMBL1909990,7.8
+COc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1,CHEMBL1909989,7.96
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccccc1)C2=O,CHEMBL1909988,8.1
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(Cc1ccccc1)C2,CHEMBL1909987,7.29
+Cc1nc2cn(Cc3ccccc3)cc2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL1909986,7.54
+Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(Cc1ccccc1)C2=O,CHEMBL1909985,7.52
+N[C@H]1CN(c2cc(-c3ccccc3)ncn2)CC[C@@H]1c1cc(F)c(F)cc1F,CHEMBL2011536,8.22
+C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL2261077,4.0
+COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3CN)N2)cc1,CHEMBL1230763,8.17
+NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)ccc2Cl)N1,CHEMBL1230804,9.09
+CC(C)(C)c1cc(C(=O)O)ccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN)N1,CHEMBL1230826,8.42
+CS(=O)(=O)c1cccc(-c2cc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1,CHEMBL1234200,8.4
+O=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1cscn1,CHEMBL1230909,8.47
+CS(=O)(=O)c1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1,CHEMBL1232261,8.28
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)c1ccc(-c2ccccc2)cc1,CHEMBL2334674,5.92
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)c1ccccc1,CHEMBL2334675,6.16
+CC(C)C[C@H](N)C(=O)N1[C@H](C#N)C[C@@H]2C[C@@H]21,CHEMBL2334676,6.96
+CC(C)[C@H](N)C(=O)N1[C@H](C#N)C[C@@H]2C[C@@H]21,CHEMBL2334677,7.59
+CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(S(=O)(=O)c2ccccc2)CC1,CHEMBL2334680,8.0
+CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CHEMBL2334679,7.82
+CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(C(=O)c2ccc3cnccc3n2)CC1,CHEMBL2334678,7.42
+CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(C(=O)CC(C)(C)C)CC1,CHEMBL2334701,7.46
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2ccc3cnccc3n2)CC1,CHEMBL2334700,8.7
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnc3ccccc3n2)CC1,CHEMBL2334699,8.4
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnc3ccccc3c2)CC1,CHEMBL2334698,8.3
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnccn2)CC1,CHEMBL2334697,8.1
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1,CHEMBL2334696,7.52
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL2334695,7.89
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CHEMBL2334694,7.74
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CHEMBL2334693,7.96
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)Cc2ccccc2)CC1,CHEMBL2334692,7.74
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2ccccc2)CC1,CHEMBL2334691,7.85
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1,CHEMBL2334690,7.74
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)CC2CCCCC2)CC1,CHEMBL2334689,8.4
+CC(C)(C)CC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334688,8.4
+CC(C)(C)C(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334687,7.74
+CC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334686,7.85
+CC(C)(C)NC(=S)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334685,7.74
+CC(C)(C)NC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334684,7.64
+CC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334683,7.6
+CC(C)(C)CCN1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1,CHEMBL2334682,7.12
+N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCNCC1,CHEMBL2334681,7.01
+Cc1[nH]c2cn(CC(=O)N3CCCCC3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441955,9.1
+Cc1[nH]c2cn(CC(=O)N3CCCC3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441954,9.4
+CCCN(C)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441953,9.4
+CNC(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441951,8.68
+Cc1[nH]c2cn(CC(N)=O)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441950,8.38
+CCN(CC)C(=O)[C@@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441848,8.6
+CCN(CC)C(=O)CCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441847,8.18
+CCN(CC)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441846,9.52
+Cc1[nH]c2cn(CCC(=O)O)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441845,9.0
+CCOC(=O)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O,CHEMBL2441843,7.52
+Cc1[nH]c2c[nH]c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441842,7.85
+Cc1[nH]c2cn(C[C@@H]3CCCN3S(=O)(=O)C3CC3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441841,9.4
+Cc1[nH]c2cn(C[C@@H]3CCCN3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441840,8.12
+Cc1[nH]c2cn(C[C@@H]3CCCO3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441839,9.0
+Cc1[nH]c2cn(C[C@H]3CCCO3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441838,8.57
+Cc1cc(Cn2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c-3c2=O)no1,CHEMBL2441835,8.64
+Cc1[nH]c2cn(Cc3ncco3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441834,8.59
+Cc1[nH]c2cn(Cc3ccn(C)n3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441833,8.47
+Cc1[nH]c2cn(Cc3ccccc3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441832,7.54
+Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441831,7.96
+COc1ccc(-n2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c-3c2=O)cc1,CHEMBL2441829,7.7
+Cc1[nH]c2cn(-c3ccccc3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN,CHEMBL2441828,7.68
+CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)(C)C,CHEMBL3086656,5.35
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C,CHEMBL3086658,4.21
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O,CHEMBL3086660,5.3
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC,CHEMBL3086661,5.2
+N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cc2c(cc1Br)OCO2,CHEMBL3127992,8.05
+N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cscn1,CHEMBL3127986,8.46
+CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2,CHEMBL2105762,9.1
diff --git a/chembl_200/CHEMBL2842.csv b/chembl_200/CHEMBL2842.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3451ddc969ea1feba4aebd57edc4faaef9a33d78
--- /dev/null
+++ b/chembl_200/CHEMBL2842.csv
@@ -0,0 +1,375 @@
+CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc45)nc(N4CCOCC4)c3s2)CC1,CHEMBL521851,6.24
+Nc1ncc(-c2nc(N3CCOCC3)c3sccc3n2)cn1,CHEMBL594844,7.38
+CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1,CHEMBL1083192,7.54
+CC(C)(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL1084926,7.52
+CN(Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)S(C)(=O)=O,CHEMBL1090598,8.0
+CC(=O)N(C)Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL1090599,7.3
+CC(C)(N)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL1090600,7.23
+CS(=O)(=O)c1cccc(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)c1,CHEMBL1090601,8.3
+Cc1c(-c2cccc(S(C)(=O)=O)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1091977,8.4
+Cc1c(CN2CCN(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1091978,7.68
+CC(=O)N(C)Cc1sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2c1C,CHEMBL1091979,7.52
+CN1CCN(C(=O)c2cccc(-c3cc4nc(-c5cnc(N)nc5)nc(N5CCOCC5)c4s3)c2)CC1,CHEMBL1090239,8.0
+Cc1c(-c2cccc(C(=O)N3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1093267,8.4
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1,CHEMBL1258458,8.3
+Cc1nc(N)nc2c1nc(-c1cn[nH]c1)c(=O)n2C(C)C,CHEMBL1234917,8.05
+Cc1nc(N)nc2c1nc(-c1cc[nH]n1)c(=O)n2C(C)C,CHEMBL1258567,8.22
+Cc1nc(N)nc2c1nc(-c1cn[nH]n1)c(=O)n2C(C)C,CHEMBL1258677,6.95
+COc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O,CHEMBL1258678,5.4
+COc1ccc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1,CHEMBL1258679,7.52
+COc1ncc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1,CHEMBL1258791,7.74
+COc1cc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)ccn1,CHEMBL1258792,6.02
+Cc1ccc(-c2nc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,CHEMBL1258910,8.29
+Cc1nc(N)nc2c1nc(-c1cc[nH]n1)c(=O)n2C1CCOCC1,CHEMBL1258911,9.1
+COc1ccc(-c2nc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1,CHEMBL1257177,8.17
+Cc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1,CHEMBL1257178,8.3
+Cc1ccc(-c2nc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1,CHEMBL1257295,9.07
+COc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1,CHEMBL1668263,6.0
+COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1,CHEMBL1668264,6.58
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668265,6.01
+Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1,CHEMBL1668266,8.52
+Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668267,7.89
+Cc1nc(N)c2cc(CN(C)C)cc(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668268,5.88
+Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1,CHEMBL1668269,7.51
+Cc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1,CHEMBL1668270,5.49
+Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1,CHEMBL1668271,7.18
+Cc1nc(N)c2cccc(C(=O)Nc3ccc(N(C)C)nc3)c2n1,CHEMBL1668272,6.0
+Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)c2nc(C)nc(N)c2c1,CHEMBL1668274,6.79
+Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1,CHEMBL1668275,8.3
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1,CHEMBL1668276,6.67
+Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1,CHEMBL1668277,7.77
+Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1,CHEMBL1667869,7.68
+Cc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)nc(N)c2c1,CHEMBL1668279,7.08
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)cc1,CHEMBL1774349,8.52
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)OCCC3)cc1,CHEMBL1774350,8.0
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COCC3)cc1,CHEMBL1774351,7.6
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COC3)cc1,CHEMBL1774352,8.22
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)C(C)(C)OC3)cc1,CHEMBL1774353,8.85
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)C(C)(C)OC3=O)cc1,CHEMBL1773085,8.92
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)C(C)(C)OC3=O)cc1,CHEMBL1774354,8.59
+C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NCCO)cc2)nc2c1COC2(C)C,CHEMBL1774355,8.8
+C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NCCC#N)cc2)nc2c1COC2(C)C,CHEMBL1774356,8.49
+C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3COC3)cc2)nc2c1COC2(C)C,CHEMBL1774357,8.52
+C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3cnn(C)c3)cc2)nc2c1COC2(C)C,CHEMBL1774358,9.1
+C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC[C@@H](O)CO)cc2)nc2c1COC2(C)C,CHEMBL1774359,8.44
+C[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)cc2)nc2c1COC2(C)C,CHEMBL1774360,8.92
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CC2CC2)OC3)cc1,CHEMBL1774361,9.0
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CC2CC2)OC3)cc1,CHEMBL1774362,8.89
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CCO)OC3)cc1,CHEMBL1774363,9.15
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@](C)(CCO)OC3)cc1,CHEMBL1774364,9.47
+CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3c(n2)[C@](C)(CCO)OC3)cc1,CHEMBL1774365,9.18
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CCO)OC3)cc1,CHEMBL1774366,8.4
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@@](C)(CCO)OC3)cc1,CHEMBL1774367,8.54
+CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3c(n2)[C@@](C)(CCO)OC3)cc1,CHEMBL1774368,9.0
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CCC#N)OC3)cc1,CHEMBL1774369,8.96
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CCC#N)OC3)cc1,CHEMBL1774370,8.89
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CCN(C)C)OC3)cc1,CHEMBL1774371,8.15
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CCN(C)C)OC3)cc1,CHEMBL1774372,7.21
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CCOC)OC3)cc1,CHEMBL1774373,8.77
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CCOC)OC3)cc1,CHEMBL1774374,8.1
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CO)OC3)cc1,CHEMBL1774375,8.77
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@](C)(CO)OC3)cc1,CHEMBL1774376,8.36
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CO)OC3)cc1,CHEMBL1774377,8.17
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@@](C)(CO)OC3)cc1,CHEMBL1774378,7.68
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CC(C)(C)O)OC3)cc1,CHEMBL1774379,8.64
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@](C)(CC(C)(C)O)OC3)cc1,CHEMBL1774380,8.74
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CC(C)(C)O)OC3)cc1,CHEMBL1774381,8.49
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@@](C)(CC(C)(C)O)OC3)cc1,CHEMBL1774382,8.33
+Cc1c(CN2CCN(C(=O)CN)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922090,7.92
+Cc1c(CN2CCN(C(=O)[C@H](C)N)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922091,8.2
+Cc1c(CN2CCN(C(=O)C(C)(C)N)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922092,7.85
+Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922094,7.77
+Cc1c(CN2CCN(C(=O)C(C)(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922095,7.85
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1940246,5.41
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1938415,6.3
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1940248,5.41
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1940249,5.96
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1940250,5.68
+CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,CHEMBL1940251,5.55
+CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1,CHEMBL1940252,5.59
+CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccccc1,CHEMBL1940253,5.41
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,CHEMBL1234354,7.8
+N#Cc1c(N2CCOCC2)sc(-c2nnc[nH]2)c1-c1ccc(Cl)cc1,CHEMBL2017648,6.36
+N#Cc1c(N2CCOCC2)sc(-c2nnc[nH]2)c1-c1ccc(Cl)cc1Cl,CHEMBL2017653,5.61
+N#Cc1ccc(-c2c(-c3nnc[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1,CHEMBL2017654,5.84
+COc1ncc(-c2cc3c(C)nc(N)nc3n(N3CCCC3)c2=O)cc1F,CHEMBL2057736,6.57
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2N1CCCC1,CHEMBL2057734,7.97
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2NCC(C)C,CHEMBL2057733,6.91
+CCN(CC)n1c(=O)c(-c2cn[nH]c2)cc2c(C)nc(N)nc21,CHEMBL2057732,6.18
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C(C)C,CHEMBL2057731,7.63
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CC1,CHEMBL2057730,6.72
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCC1,CHEMBL2057728,7.29
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC3)c2=O)cn1,CHEMBL2057727,7.12
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCCC1,CHEMBL2057726,7.73
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1,CHEMBL2057725,6.775
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)C3)cc1,CHEMBL2063751,7.6
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1,CHEMBL2063754,7.3
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)S(=O)(=O)CCC3)cc1,CHEMBL2063757,7.3
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@H]4C)n2)S(=O)(=O)CC3)cc1,CHEMBL2063758,6.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4C[C@@H]5CC[C@H](C4)O5)n2)CS(=O)(=O)CC3)cc1,CHEMBL2063759,8.3
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4C[C@@H]5CC[C@H](C4)O5)n2)CS(=O)(=O)C3)cc1,CHEMBL2063760,8.15
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4C[C@@H]5C[C@H]4CO5)n2)CS(=O)(=O)C3)cc1,CHEMBL2063761,7.21
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@H]4C)n2)CS(=O)(=O)C3)cc1,CHEMBL2063752,7.89
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CS(=O)(=O)C3)cc1,CHEMBL2063753,7.82
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@H]4C)n2)CS(=O)(=O)CC3)cc1,CHEMBL2063755,7.28
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CS(=O)(=O)CC3)cc1,CHEMBL2063756,8.1
+CC1(C)COC1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL2178614,7.68
+CC1(C)OCCc2c1sc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21,CHEMBL2178613,7.89
+COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1,CHEMBL2178608,8.05
+COC(C)(C)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL2178606,8.0
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nnc(C)o2)C3)cc1,CHEMBL2181527,8.36
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nc(C)ns2)C3)cc1,CHEMBL2181526,8.46
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2cccnn2)C3)cc1,CHEMBL2181525,8.85
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2cnccn2)C3)cc1,CHEMBL2181524,8.77
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4CC)n2)CCN(c2ncccn2)C3)cc1,CHEMBL2181523,8.89
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1,CHEMBL2181522,8.82
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1,CHEMBL2181661,8.26
+CCOC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ccccc2)C3)cc1,CHEMBL2181660,6.89
+CCNC(=O)Oc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ccccc2)C3)cc1,CHEMBL2181659,5.82
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ccccc2)C3)cc1,CHEMBL2181658,8.19
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)OC)C3)cc1,CHEMBL2181657,7.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(S(C)(=O)=O)C3)cc1,CHEMBL2181656,7.68
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)OC(C)(C)C)C3)cc1,CHEMBL2181655,7.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1,CHEMBL2181654,6.85
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(c2cnccn2)CC3)cc1,CHEMBL2181653,8.62
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2cnccn2)CC3)cc1,CHEMBL2181652,7.7
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(c2ncccn2)CC3)cc1,CHEMBL2181651,8.64
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)CC3)cc1,CHEMBL2181650,7.77
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(C(C)=O)CC3)cc1,CHEMBL2181649,7.96
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(S(C)(=O)=O)CC3)cc1,CHEMBL2181648,8.17
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(C(=O)OC(C)(C)C)CC3)cc1,CHEMBL2181530,7.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)OC(C)(C)C)CC3)cc1,CHEMBL2181529,7.32
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)OC(C)(C)C)C3)cc1,CHEMBL2181662,8.0
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CNC3)cc1,CHEMBL2181663,6.91
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(S(C)(=O)=O)C3)cc1,CHEMBL2181665,8.43
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)NCC)C3)cc1,CHEMBL2181528,8.29
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1,CHEMBL2181664,8.52
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(C)(C)C(=O)NC)cc1,CHEMBL2334767,8.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(=O)COC)cc1,CHEMBL2334766,8.68
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(C)=O)cc1,CHEMBL2334765,8.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2S(C)(=O)=O)cc1,CHEMBL2334764,9.0
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C2COC2)cc1,CHEMBL2334763,8.82
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@H]2CC[C@@H]3N2C)cc1,CHEMBL2334762,8.19
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C)cc1,CHEMBL2334761,8.92
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C(C)=O)cc1,CHEMBL2334759,8.12
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2S(C)(=O)=O)cc1,CHEMBL2334758,8.59
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C2COC2)cc1,CHEMBL2334757,7.68
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C2COC2)cc1,CHEMBL2334756,7.85
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2CC)cc1,CHEMBL2334755,8.19
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C)cc1,CHEMBL2334754,8.38
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C)cc1,CHEMBL2334753,8.38
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(C2COC2)CC3)cc1,CHEMBL2334760,7.74
+C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6n[nH]cc56)nc4c32)CC1,CHEMBL2331669,8.58
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL2331668,9.61
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6n[nH]cc56)nc4c32)CC1,CHEMBL2331667,8.84
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1,CHEMBL2331666,9.42
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL2331665,7.73
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cn1,CHEMBL2331664,8.85
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1,CHEMBL2331663,9.07
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1,CHEMBL2331662,8.63
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1,CHEMBL2331661,8.62
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1,CHEMBL2331660,7.32
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL2331659,8.7
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL2331658,8.33
+COc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL2331657,8.35
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1,CHEMBL2331680,8.42
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(S(C)(=O)=O)C3)cc1,CHEMBL2331679,8.38
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2CCCC2)C3)cc1,CHEMBL2331558,8.32
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(C)C)C3)cc1,CHEMBL2331678,8.02
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nccn2C)C3)cc1,CHEMBL2331677,8.85
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2cc(C)ncn2)C3)cc1,CHEMBL2331676,8.57
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ccnc(C)n2)C3)cc1,CHEMBL2331689,8.62
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncc(F)cn2)C3)cc1,CHEMBL2331688,8.49
+C[C@H]1COCCN1c1nc(-c2ccc(Nc3nc(=O)cc[nH]3)cc2)nc2c1CCN(c1ncccn1)C2,CHEMBL2331687,9.4
+O=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]1,CHEMBL2331686,8.18
+CCNc1c(Nc2ccc(-c3nc4c(c(N5CCOC[C@@H]5C)n3)CCN(c3ncccn3)C4)cc2)c(=O)c1=O,CHEMBL2331685,7.87
+C[C@H]1COCCN1c1nc(-c2ccc(Nc3nn(C)c(=O)[nH]3)cc2)nc2c1CCN(c1ncccn1)C2,CHEMBL2331684,8.54
+c1cnc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)nc1,CHEMBL2331683,6.66
+O=C(NCCF)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1,CHEMBL2331682,8.57
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCC(N)=O)CC1,CHEMBL2375953,8.04
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cn1,CHEMBL2375956,8.06
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cc1F,CHEMBL2375957,7.95
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cn1,CHEMBL2375958,7.53
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@@H](OCC(N)=O)CC1,CHEMBL2375959,7.32
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@@H](OCC(N)=O)CC1,CHEMBL2375960,7.03
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@@H](OCC(N)=O)CC1,CHEMBL2375962,8.34
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cn1,CHEMBL2375961,7.9
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cc1F,CHEMBL2375963,7.34
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cn1,CHEMBL2375964,8.6
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1,CHEMBL2375965,8.11
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1,CHEMBL2375966,7.71
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1,CHEMBL2375967,8.67
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCO)CC3)c2=O)cn1,CHEMBL2375365,8.3
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCO)CC3)c2=O)cc1F,CHEMBL2375968,7.61
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1,CHEMBL2375969,7.97
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1,CHEMBL2375970,7.34
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1,CHEMBL2376092,8.12
+COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCO)CC3)c2=O)cn1,CHEMBL2376093,8.35
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCO)CC3)c2=O)cn1,CHEMBL2376095,7.89
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(=O)O)CC3)c2=O)cn1,CHEMBL2376096,8.06
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2387080,5.92
+CC(C)(O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1CCO,CHEMBL2418352,7.14
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C(C)(C)O)n(CCO)c3n2)cc1,CHEMBL2418353,8.035
+CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4C[C@H]3CO4)c3c(cnn3C)n2)cc1,CHEMBL2418351,7.55
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(n2)c(C)nn3C)cc1,CHEMBL2418350,8.7
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(cnn3C)n2)cc1,CHEMBL2418349,9.0
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(cnn3C)n2)cc1,CHEMBL2418348,8.1
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(ccn3C)n2)cc1,CHEMBL2418347,8.22
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(ccn3C)n2)cc1,CHEMBL2418346,7.72
+CCNC(=O)Nc1ccc(-c2nc(N3CCCOCC3)c3c(ncn3C)n2)cc1,CHEMBL2418345,6.92
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(ncn3C)n2)cc1,CHEMBL2418344,8.4
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@H]3C)c3c(ncn3C)n2)cc1,CHEMBL2418343,7.16
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(ncn3C)n2)cc1,CHEMBL2418339,7.52
+CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(ncn3C)n2)cc1,CHEMBL2418342,6.82
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(ncn3CC)n2)cc1,CHEMBL2418341,7.4
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ncn(CC)c3n2)cc1,CHEMBL2418340,8.1
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)nc(C(C)(C)O)n3C)cc1,CHEMBL2418338,7.52
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ncn(C)c3n2)cc1,CHEMBL2418337,7.92
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C(C)(C)O)n(C)c3n2)cc1,CHEMBL2418354,8.15
+CNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1,CHEMBL1234353,6.08
+Cc1nc(N)nc2c1cc(-c1cccc(CO)c1)c(=O)n2C1CCCC1,CHEMBL3218943,7.09
+CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1,CHEMBL3218401,6.15
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1,CHEMBL3218402,7.77
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](O)CC3)c2=O)cn1,CHEMBL3218403,7.05
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1,CHEMBL3218404,6.96
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOC3)c2=O)cn1,CHEMBL3218405,6.82
+C=C1NC(N)=NC2C1C=C(c1ccc(OC)nc1)C(=O)N2[C@H]1CC[C@H](OCCO)CC1,CHEMBL3218579,7.8
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681054,8.68
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681055,7.57
+CN(C)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681056,8.37
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681057,8.33
+COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F,CHEMBL3681058,8.04
+COc1ncc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cc1F,CHEMBL3681059,7.58
+COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681060,8.81
+Cn1cc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681062,7.81
+Cn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681063,7.4
+O=C(OCc1ccccc1)C1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681064,7.67
+Cn1c(=O)n(C2CCC(C(=O)OCc3ccccc3)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681065,8.19
+O=c1[nH]c2cnc3ccc(-c4cnc5ccccc5c4)nc3c2n1C1CCNCC1,CHEMBL3681066,7.91
+CCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681067,8.09
+CCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681068,8.1
+COC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681069,7.91
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681070,8.31
+CCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681071,8.39
+CC(C)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681072,8.31
+CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681073,8.47
+CCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681074,8.37
+CC(C)OC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681075,8.01
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681076,8.31
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1,CHEMBL3681077,8.07
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](OCCO)CC5)c4c3n2)cn1,CHEMBL3681078,8.67
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](O)CC5)c4c3n2)cn1,CHEMBL3681079,8.86
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681080,7.75
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681081,7.97
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681082,8.48
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681083,8.11
+Cn1c(=O)n(C2CCN(CC(F)(F)F)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681084,8.02
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(OC)nc5)nc4c32)CC1,CHEMBL3681085,8.8
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681086,8.14
+CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681087,8.1
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)N)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681088,7.88
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681089,8.42
+Cn1c(=O)n([C@H]2CC[C@H](OCCO)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681090,8.0
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3681091,7.87
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3639799,8.04
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1,CHEMBL3681092,7.9
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1,CHEMBL3681093,7.01
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3681094,7.94
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cn1,CHEMBL3681095,9.09
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681096,8.23
+Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681097,7.92
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)nc5)nc4c32)CC1,CHEMBL3681098,8.6
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(=O)N(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681099,7.74
+Cn1c(=O)n([C@H]2CC[C@H](C(N)=O)CC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681100,7.85
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(c3ncccn3)CC2)c(=O)n4C)cn1,CHEMBL3681101,7.14
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681102,7.75
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21,CHEMBL3681103,9.69
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681104,8.19
+Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681105,8.14
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1,CHEMBL3681106,7.4
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681108,8.85
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681109,8.93
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681110,8.48
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1,CHEMBL3681111,8.42
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)NN)CC2)c(=O)n4C)cn1,CHEMBL3681112,8.97
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1,CHEMBL3681113,8.35
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681114,8.05
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1,CHEMBL3681115,7.88
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681116,7.6
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1,CHEMBL3681117,8.43
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1,CHEMBL3681118,7.3
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1,CHEMBL3681119,8.08
+N[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681120,8.48
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681121,8.76
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681122,8.52
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681123,9.35
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681124,8.45
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21,CHEMBL3681125,8.99
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681126,8.76
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681127,8.19
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681129,7.14
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681130,7.9
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681131,8.36
+COCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681132,8.09
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681133,8.02
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681134,7.35
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL3681135,8.21
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681136,8.95
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681137,8.12
+CC(C)C(=O)CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681138,7.55
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681139,8.11
+C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681140,8.76
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL3681141,7.66
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1,CHEMBL3681142,8.64
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681143,7.73
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681145,7.33
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681146,6.67
+O=c1n(CCO)c2cnc3ccc(-c4cn[nH]c4)nc3c2n1C1CCOCC1,CHEMBL3681147,7.8
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681148,7.3
+O=c1n(CCO)c2cnc3ccc(-c4cnn(CCO)c4)nc3c2n1C1CCOCC1,CHEMBL3681149,6.26
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681150,6.64
+O=c1n(CCO)c2cnc3ccc(-c4cc[nH]n4)nc3c2n1C1CCOCC1,CHEMBL3681151,6.18
+Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681152,6.98
+Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681153,8.44
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681154,9.48
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H](C)CO)c(=O)n4C)cn1,CHEMBL3681155,7.25
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21,CHEMBL3681156,6.28
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H](C)CO)c(=O)n4C)cn1,CHEMBL3681157,7.62
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5ccccc5c4)nc3c21,CHEMBL3681158,8.02
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)nc4)nc3c21,CHEMBL3681159,8.16
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21,CHEMBL3681160,9.39
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cccc5[nH]ccc45)nc3c21,CHEMBL3681161,8.18
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5n[nH]cc5c4)nc3c21,CHEMBL3681162,8.35
+C[C@@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21,CHEMBL3681163,6.51
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@@H](C)CO)c(=O)n4C)cn1,CHEMBL3681164,7.54
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1,CHEMBL3681165,9.52
+CNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cc1,CHEMBL3681166,8.75
+CNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cc1,CHEMBL3681167,8.69
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4c32)CC1,CHEMBL3681168,7.45
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc(-n6cccn6)c5)nc4c32)CC1,CHEMBL3681169,8.32
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1,CHEMBL3681170,6.35
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6n[nH]cc56)nc4c32)CC1,CHEMBL3681171,8.33
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4ccnc5n[nH]cc45)ccc3ncc21,CHEMBL3681172,8.75
+C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6n[nH]cc56)nc4c32)CC1,CHEMBL3681173,8.77
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5n[nH]cc45)ccc3ncc21,CHEMBL3681174,8.71
+C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681175,9.62
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681176,9.49
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681177,9.18
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681178,8.39
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681179,8.25
+CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1,CHEMBL3681180,7.84
+COc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCNCC2)c(=O)n4C)cn1,CHEMBL3681181,6.56
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4ccc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681182,9.44
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681183,9.93
+COc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCOCC2)c(=O)n4C)cn1,CHEMBL3681184,7.56
+COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(OC)nc4)nc3c21,CHEMBL3681185,8.15
+COCCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(OC)nc4)nc3c21,CHEMBL3681186,6.46
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cc1,CHEMBL3681187,8.71
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cc1,CHEMBL3681188,8.47
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cc1,CHEMBL3681189,7.84
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)c1,CHEMBL3681190,8.07
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)c1,CHEMBL3639800,7.99
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)c1,CHEMBL3681191,7.99
+CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL3813842,7.15
+Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C,CHEMBL3814414,5.92
+Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(C(C)(C)O)n(CCO)c2n1,CHEMBL3813906,6.02
diff --git a/chembl_200/CHEMBL2850.csv b/chembl_200/CHEMBL2850.csv
new file mode 100644
index 0000000000000000000000000000000000000000..72141f0b27dc18e8ce8f54007cc4a03f50e776a7
--- /dev/null
+++ b/chembl_200/CHEMBL2850.csv
@@ -0,0 +1,441 @@
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,7.5
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,7.3
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,6.02
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,6.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.8
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.8
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,5.4
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,5.7
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,8.0
+COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,CHEMBL259850,7.6
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,5.8
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,7.3
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,7.6
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.5
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.6
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.0
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,8.2
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.1
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,7.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.9
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.9
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,8.4
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.8
+COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N,CHEMBL1999778,5.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.8
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,5.8
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.5
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.5
+CCCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1987430,8.3
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.6
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,5.8
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.2
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.5
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.2
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.0
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,8.3
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.1
+O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,7.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.4
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.6
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.2
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.1
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.7
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.8
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.6
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,6.2
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,5.4
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,7.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,7.0
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,6.4
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,7.4
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.9
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,5.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.2
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.6
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.65
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,7.3
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,6.0
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.5
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,5.3
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,6.3
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.5
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.2
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.3
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.2
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.0
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,7.6
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.1
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,5.6
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.2
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.7
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,5.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,5.1
+Cc1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1C,CHEMBL1994968,5.1
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.9
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.8
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.1
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.6
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.5
+CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1,CHEMBL1890036,5.5
+Cc1cc(=O)nc2[nH][nH]c(-c3cccc(-c4cccc(C#N)c4)c3)c1-2,CHEMBL1985129,5.5
+CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1,CHEMBL1992732,8.2
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,5.4
+O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,CHEMBL2003482,7.0
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,CHEMBL1971606,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(OC(F)F)ccc12,CHEMBL1981215,7.8
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.4
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cc(F)cc12,CHEMBL1967336,7.7
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.2
+Cc1[nH]nc2c1C(c1ccccc1F)C1C(=O)CC(C)(C)CC1=N2,CHEMBL1966703,7.8
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)ccc(F)c12,CHEMBL2001987,7.9
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,7.4
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,6.0
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.6
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,7.6
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,6.6
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.7
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.7
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,7.5
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.2
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,5.4
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,5.4
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.4
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,7.3
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,7.8
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,6.1
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,6.1
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.2
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.2
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.9
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.6
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.6
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,4.6
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.4
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.6
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,8.2
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.8
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,6.7
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.7
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.6
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,6.7
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.8
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.1
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.2
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,7.1
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.1
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.7
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.4
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.1
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.8
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,7.3
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,6.0
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.6
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,7.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,6.2
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,7.4
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.6
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.8
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.5
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,5.6
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.1
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.5
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.1
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.8
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.1
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.2
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.4
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.1
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,5.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,8.3
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,5.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.2
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.5
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.5
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.0
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,7.2
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.1
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.9
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.8
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.2
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,7.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.4
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.8
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.5
+Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccncc2)c1,CHEMBL1999496,6.0
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.4
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.4
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.4
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.8
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,7.2
+Cc1cc(=O)nc2[nH][nH]c(-c3cccc(-c4ccc(C#N)cc4)c3)c1-2,CHEMBL2000724,5.4
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.1
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,5.6
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.7
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,7.4
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,6.0
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.4
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,6.6
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.3
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.9
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.1
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,5.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.7
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,7.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.1
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.6
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.6
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,7.7
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.9
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.9
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,7.9
+CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,CHEMBL1978014,6.1
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,8.2
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,6.4
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,5.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.3
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,5.7
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.8
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,5.2
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.7
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,6.4
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.8
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,6.5
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.4
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.2
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21,CHEMBL1977604,5.7
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.1
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.7
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.1
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.5
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.8
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.8
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.8
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.9
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,5.9
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.5
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,6.8
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.4
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.6
+Cc1ccc(F)c(-c2ccc3nnc(N)n3c2)c1,CHEMBL2002323,5.4
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,8.5
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.0
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.5
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,6.2
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.0
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,5.7
+COc1ccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)cc1,CHEMBL1992536,7.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.4
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.7
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,7.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.8
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.7
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.4
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,7.3
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.4
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,7.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,7.0
+Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL1978656,5.1
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.6
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,7.8
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.2
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,7.6
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.9
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.2
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.8
+N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1,CHEMBL1999718,8.2
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.3
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.4
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.7
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.7
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.1
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,7.1
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.2
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.2
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.9
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.5
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.3
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.0
+COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2006299,5.5
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,5.5
+CC(=O)Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2006609,5.5
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.1
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.4
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.0
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.9
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,5.8
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,7.4
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,6.0
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.7
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,5.8
+COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,CHEMBL1982167,5.2
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,7.4
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.4
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.4
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.3
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.0
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,7.8
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.6
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.2
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.4
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.5
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,7.2
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,6.9
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,6.2
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.3
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.4
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.3
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.8
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,6.2
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,7.7
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2003514,5.6
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,5.5
+O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,5.4
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.3
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.4
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.8
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.1
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,4.3
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,6.4
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.4
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.5
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,6.3
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,6.7
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,7.0
+Brc1ccc2cnc(Nc3ccncn3)cc2c1,CHEMBL1984686,5.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.9
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.1
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.3
+O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,5.9
+Nc1ncnc2sccc12,CHEMBL1972934,4.4
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,8.0
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL2004072,6.1
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.6
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,5.1
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,5.1
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.5
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,6.8
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.6
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,8.4
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.4
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,5.4
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.7
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.5
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,5.6
+CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL2007375,7.4
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.2
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.4
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.2
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,8.2
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.8
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,6.0
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.6
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,6.3
+CCc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1986756,7.3
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,CHEMBL1419458,5.9
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL468280,5.4
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1980142,7.7
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.0
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,6.4
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.2
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,5.4
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.1
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.9
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,5.3
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.1
+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,7.4
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.0
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.8
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,5.9
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.8
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.3
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.5
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,7.6
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,8.3
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,8.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.3
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.5
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.9
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,8.4
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,7.7
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.8
+O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,8.0
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.2
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.0
+Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1C,CHEMBL1991874,5.1
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.0
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.5
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.3
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.5
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,5.4
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.1
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,5.1
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,8.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.6
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.9
+O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3,CHEMBL1970806,5.2
+CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,CHEMBL2006674,5.8
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,8.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.4
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.6
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,6.3
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,7.0
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.4
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.6
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,7.0
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.1
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.5
+NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O,CHEMBL1980246,5.5
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.2
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,6.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,8.1
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.3
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,7.68
+Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21,CHEMBL3582401,8.05
diff --git a/chembl_200/CHEMBL2858.csv b/chembl_200/CHEMBL2858.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4a19699fe6eb22f34aed87c8b608e5aecbcc1780
--- /dev/null
+++ b/chembl_200/CHEMBL2858.csv
@@ -0,0 +1,432 @@
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1,CHEMBL100911,7.24
+Cc1ccc(O)c(C(=O)NC[C@]2(C)C[C@H](O)CC(C)(C)C2)c1,CHEMBL2051964,7.81
+CCN1CC[C@]2(c3cccc(O)c3)Cc3c([nH]c(C(=S)N(CC)CC)c3C)C[C@H]2C1,CHEMBL101516,7.38
+CCOC(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(CC)C[C@@H]1C2,CHEMBL322181,6.85
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1,CHEMBL327956,6.86
+CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(C)CC[C@]1(c1cccc(O)c1)C2,CHEMBL108076,7.03
+CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(C)C[C@@H]1C2,CHEMBL316863,7.05
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1,CHEMBL101623,6.24
+CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O,CHEMBL119524,5.17
+COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1,CHEMBL142243,4.0
+CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1,CHEMBL357628,4.29
+C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O,CHEMBL113995,9.34
+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,CHEMBL294616,8.53
+CCOC(=O)C1CNCCC1c1ccccc1,CHEMBL313981,4.62
+CCOC(=O)C1(c2ccccc2)CCNCC1,CHEMBL1052,5.89
+CCOC(=O)[C@H]1CNCC[C@H]1c1ccccc1,CHEMBL82777,4.92
+CCOC(=O)[C@@H]1CNCC[C@@H]1c1ccccc1,CHEMBL84999,5.12
+CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL296184,7.68
+CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL55809,6.3
+CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2C[C@H]1N1CCCC1,CHEMBL55421,6.43
+CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL544292,7.14
+CCC1CN(CC2CC2)C2C(=O)c3ccc(O)cc3C1C2C,CHEMBL71301,8.89
+CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc12,CHEMBL69559,6.9
+CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL302977,7.3
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,9.52
+CCCN1CC[C@@]2(CC)c3cc(OC)ccc3O[C@H]2C1,CHEMBL2114080,5.54
+CCCN1CC[C@@]2(CC)c3cc(O)ccc3O[C@H]2C1,CHEMBL304616,7.52
+CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL542881,7.51
+CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL72180,9.05
+CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL552619,7.0
+CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL542150,7.77
+CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,CHEMBL430441,7.72
+CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12,CHEMBL555891,8.4
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL19019,9.432
+Cc1[nH]c2c(c1C)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL60404,7.41
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL567175,7.907999999999999
+Oc1ccc2c3c1O[C@H]1c4[nH]cc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL305146,7.68
+Cc1[nH]c2c(c1Cc1ccccc1)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL60407,7.55
+CCCCc1c(C)[nH]c2c1C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL303301,7.24
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c4ccccc4c3C[C@H]2C1,CHEMBL107670,5.683
+CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(CC3CC3)CC[C@]1(c1cccc(O)c1)C2,CHEMBL324236,7.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,6.18
+CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1,CHEMBL2311130,7.28
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(N)=O)C(C)C,CHEMBL134186,5.72
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C,CHEMBL405663,6.06
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2370690,9.3
+CC(=O)O[C@@H]1[C@@H](COC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)O[C@H](O)[C@H](O)[C@H]1O,CHEMBL261944,8.1
+CC(=O)O[C@H]1[C@@H](OC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)O[C@H](O)[C@H](O)[C@H]1O,CHEMBL268625,5.55
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL317956,5.7
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL265781,8.62
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C(C)C,CHEMBL335903,5.8
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,CHEMBL278789,8.96
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CO)C(N)=O)C(C)C,CHEMBL408495,5.96
+CC(=O)O[C@@H]1[C@@H](COC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)O[C@H](O)[C@H](O)[C@H]1O,CHEMBL429717,5.72
+CC(=O)O[C@H]1[C@@H](COC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)O[C@H](O)[C@H](O)[C@H]1O,CHEMBL402691,7.95
+C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL130791,8.92
+C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL385083,8.6
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C,CHEMBL121403,10.22
+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C,CHEMBL338510,10.1
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C,CHEMBL121060,8.54
+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C,CHEMBL121211,9.82
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C,CHEMBL435380,8.23
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C,CHEMBL121494,9.89
+CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)[C@]2(CCc4ccccc4C2)C[C@@]3(O)C1C5,CHEMBL318598,7.55
+O=C1[C@@H]2Oc3c(O)ccc4c3C23CCN(CC2CC2)C(C4)[C@]3(O)C[C@]12CCc1ccccc1C2,CHEMBL101694,9.42
+CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)[C@@]2(CCc4ccccc4C2)C[C@@]3(O)C1C5,CHEMBL104179,7.74
+O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)CC12Cc1ccccc1C2,CHEMBL610293,8.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)[C@H]1C5,CHEMBL399708,7.85
+O=C1[C@@H]2Oc3c(O)ccc4c3C23CCN(CC2CC2)C(C4)[C@]3(O)C[C@@]12CCc1ccccc1C2,CHEMBL105081,9.14
+CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)[C@@]2(CCc4ccccc4C2)C[C@H]3C1C5,CHEMBL104159,8.55
+CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)[C@]2(CCc4ccccc4C2)C[C@H]3C1C5,CHEMBL318361,6.92
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N,CHEMBL2368127,7.0
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N,CHEMBL2368133,8.38
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N,CHEMBL2368132,8.24
+CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N,CHEMBL148240,5.32
+C=CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368126,8.0
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N,CHEMBL2368128,7.74
+C=CCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368130,7.82
+C=CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL146248,6.01
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N,CHEMBL2368134,7.05
+C#CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368124,8.34
+C=CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368123,8.68
+C#CCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368129,7.74
+C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL277927,9.05
+CC#CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2368125,9.3
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N,CHEMBL2368131,7.82
+COc1cccc2c1CC1(C2)C[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3C)C(O5)C1=O,CHEMBL298314,8.03
+O=C1C2Oc3c(O)ccc4c3C23CCN(CC2CC2)C(C4)[C@]3(O)CC12Cc1cc3ccccc3cc1C2,CHEMBL49704,8.11
+CN1CCC23c4c5ccc(O)c4OC2C(=O)C2(Cc4cc6ccccc6cc4C2)C[C@@]3(O)C1C5,CHEMBL297470,6.9
+COc1cccc2c1CC1(C2)C[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C(O5)C1=O,CHEMBL297933,9.36
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL70,8.86
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL363550,7.14
+CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,CHEMBL362331,9.59
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccsc2)c2ccc3c(c2)OCO3)cc1,CHEMBL184130,8.89
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccccn2)cc1,CHEMBL185782,8.22
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccsc2)c2cnccn2)cc1,CHEMBL185780,8.6
+C=C(C)CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1ccco1)C2,CHEMBL184820,8.2
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccc(C(=O)O)c2)c2ccccc2)cc1,CHEMBL185728,6.32
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cnc[nH]2)c2cccc(NC(C)=O)c2)cc1,CHEMBL185778,8.03
+C=C(C)CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(C(C)=O)c1)C2,CHEMBL434542,8.72
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccnc2)c2ccccc2)cc1,CHEMBL187114,7.21
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccn2)c2cccc(NC(C)=O)c2)cc1,CHEMBL185687,8.44
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cc(N)cc(C(=O)O)c2)cc1,CHEMBL184944,5.04
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2nn[nH]n2)cc1,CHEMBL187306,7.08
+CCNC(=O)c1ccc(C(C#N)=C2CC3CCC(C2)N3Cc2ccoc2)cc1,CHEMBL185906,9.0
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1,CHEMBL186549,7.92
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cnccn2)cc1,CHEMBL425713,8.0
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(C(=O)O)c2)cc1,CHEMBL187590,7.55
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(C(=O)O)cc2)cc1,CHEMBL426801,7.92
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(CCC(=O)O)c2)cc1,CHEMBL184453,8.52
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cncnc2)cc1,CHEMBL187806,8.16
+CCNC(=O)c1ccc(/C(C#N)=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1,CHEMBL186505,8.59
+CCNC(=O)c1ccc(/C(C#N)=C2\C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1,CHEMBL187086,8.64
+CCNC(=O)c1ccc(/C(Br)=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1,CHEMBL185980,9.7
+CCNC(=O)c1ccc(/C(Br)=C2\C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1,CHEMBL185983,7.41
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL186281,7.3
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL186041,8.51
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(C(=O)N(C)C)cc2)cc1,CHEMBL185668,8.17
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccccn2)cc1,CHEMBL364649,7.35
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccncc2)cc1,CHEMBL361456,8.66
+CCNC(=O)c1ccc(C=C2CC3CCC(C2)N3Cc2ccoc2)cc1,CHEMBL186741,6.96
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccnc2)cc1,CHEMBL186530,8.92
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2c(C)noc2C)cc1,CHEMBL364395,8.74
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(C(N)=O)cc2)cc1,CHEMBL365068,8.89
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(N)c2)cc1,CHEMBL365886,8.59
+CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2CC3CCC(C2)N3Cc2ccoc2)cc1,CHEMBL363265,8.39
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(-c3nn[nH]n3)c2)cc1,CHEMBL424987,5.82
+CCNC(=O)c1ccc(C(Br)=C2CC3CCC(C2)N3Cc2ccoc2)cc1,CHEMBL365885,8.72
+CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2CC3CCC(C2)N3Cc2ccoc2)cc1,CHEMBL434903,8.72
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(CN)c2)cc1,CHEMBL365863,7.15
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(CO)c2)cc1,CHEMBL363287,9.09
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(NC(C)=O)c2)cc1,CHEMBL187582,8.92
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(NC(C)=O)cc2)cc1,CHEMBL427331,9.1
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(O)c(OC)c2)cc1,CHEMBL361720,9.23
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(CO)cc2)cc1,CHEMBL187260,7.72
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(C#N)c2)cc1,CHEMBL184744,8.48
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(C(C)=O)c2)cc1,CHEMBL186742,8.89
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(C(C)=O)cc2)cc1,CHEMBL363015,8.77
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc3c(c2)OCO3)cc1,CHEMBL187179,8.96
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL186183,8.82
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cnc3ccccc3c2)cc1,CHEMBL363677,8.4
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2cccc(F)c2)cc1,CHEMBL187376,8.43
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(F)cc2)cc1,CHEMBL185229,8.77
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2ccc(N(C)C)cc2)cc1,CHEMBL414659,7.29
+CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccoc2)c2c(C)cccc2C)cc1,CHEMBL264290,8.85
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c2ccc(C(=O)N(C)C)cc2)cc1,CHEMBL362332,7.85
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c2ccc(C(=O)N(C)C)cc2)cc1,CHEMBL186024,7.0
+C=C(C)CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccc(C(=O)NCC)cc1)c1cccc(C(C)=O)c1)C2,CHEMBL185937,8.55
+C=C(C)CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccc(C(=O)NCC)cc1)c1cccc(C(C)=O)c1)C2,CHEMBL184034,6.17
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2ccc(CO)cc2)cc1,CHEMBL366285,7.77
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2ccc(CO)cc2)cc1,CHEMBL187103,7.1
+C=C(C)CCN1[C@H]2CC[C@@H]1C/C(=C(\c1ccc(C(=O)NCC)cc1)c1cccc(C(=O)O)c1)C2,CHEMBL184748,7.24
+C=C(C)CCN1[C@H]2CC[C@@H]1C/C(=C(/c1ccc(C(=O)NCC)cc1)c1cccc(C(=O)O)c1)C2,CHEMBL184090,7.62
+CCNC(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2cccc(-c3nn[nH]n3)c2)cc1,CHEMBL361483,7.92
+CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2cccc(-c3nn[nH]n3)c2)cc1,CHEMBL363480,5.51
+CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1,CHEMBL2311157,10.62
+CC(F)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL197479,8.68
+COCC1(N(C(=O)C(C)F)c2ccccc2)CCN(CCc2cccs2)CC1,CHEMBL196960,10.0
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL363787,7.84
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL364010,5.14
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL365803,8.6
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL193946,8.92
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL364458,7.55
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL363851,8.57
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL191669,6.53
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL191870,6.89
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL363578,6.0
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL372707,6.62
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL192506,6.17
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL519367,9.25
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL483566,9.29
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL485583,6.77
+O=C1N(CCc2ccccc2)CO[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL459043,8.34
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL552308,7.8
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL1270282,7.67
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270382,6.03
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270185,7.27
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270383,7.97
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL1270474,6.81
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270475,8.45
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270573,6.56
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834895,9.32
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@@H]3N1[C@H]2O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL1834896,8.68
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@@H]3N1[C@H]2O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC(C)C)[C@H]1O5,CHEMBL1834897,7.6
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CCC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H]1O5,CHEMBL1834898,8.59
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1834899,9.11
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834900,9.14
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@H]2N1[C@@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834901,7.42
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834902,8.99
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834903,8.72
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929366,7.11
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929367,7.9
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929368,8.2
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929369,7.7
+Oc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(O)CO2,CHEMBL2016672,9.39
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@@]5(NC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016673,9.55
+Oc1ccc2c3c1O[C@H]1[C@]4(O)C=N[C@]5(CC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016674,9.55
+CN1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016675,10.01
+O=C(c1ccccc1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016676,9.05
+O=C(C1CC1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016677,9.35
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@]5([C@@H](C2)N(CC2CC2)CC[C@]315)N(CC1CC1)C4,CHEMBL2016678,10.31
+CN[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2016679,9.57
+CN(C(=O)CCc1ccccc1)[C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL2017143,7.345
+O=C(Nc1ccccc1)[C@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017148,6.885
+O=C1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057689,6.41
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057691,7.08
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057692,7.61
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2057693,9.37
+CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147891,7.23
+CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147901,7.6
+CN1CC[C@]23Cc4nc5cc(Cl)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147902,7.53
+CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147903,7.46
+CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147904,8.17
+CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147905,8.08
+CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147906,8.0
+CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147907,7.92
+Cc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147908,7.51
+Cc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147909,7.49
+Cc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147910,7.46
+Cc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147911,7.15
+CN1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147912,7.76
+CN1CC[C@]23Cc4nc5ccc(O)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147913,7.92
+CN1CC[C@]23Cc4[nH]c5cc(=O)ccc-5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147914,7.69
+CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147915,7.35
+COc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147916,7.7
+COc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147917,7.53
+COc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147918,7.66
+COc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147919,7.4
+CN1CC[C@]23Cc4nc5cccc(C(F)(F)F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147920,7.21
+CN1CC[C@]23Cc4nc5ccc(C(F)(F)F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147921,7.28
+CN1CC[C@]23Cc4nc5cc(C(F)(F)F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147922,6.82
+CN1CC[C@]23Cc4nc5c(C(F)(F)F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147923,6.88
+CN1CC[C@]23Cc4nc5cccc([N+](=O)[O-])c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147924,7.91
+CN1CC[C@]23Cc4nc5ccc([N+](=O)[O-])cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147925,7.61
+CN1CC[C@]23Cc4nc5cc([N+](=O)[O-])ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147926,7.69
+CN1CC[C@]23Cc4nc5c([N+](=O)[O-])cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147927,7.56
+CN(C)c1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147928,7.48
+CN(C)c1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147929,7.48
+CN(C)c1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147930,7.17
+CN(C)c1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147931,7.65
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc2cccc4c6c([nH]c24)[C@@H]2Oc4c(OCCc7ccccc7)ccc7c4[C@@]24CCN(CC2CC2)[C@H](C7)[C@]4(O)C6)CC[C@@]3(O)[C@H]1C5,CHEMBL2151327,8.01
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL963,8.3
+CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL2151248,7.65
+Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(OCCc4ccccc4)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL2151328,6.92
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc2C)cc1,CHEMBL2151246,6.26
+CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2151247,9.49
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)C2C4CC6CC(C4)CC2C6)CC[C@@]3(O)[C@H]1C5,CHEMBL2163532,8.19
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)C2CCCCC2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163531,7.94
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)CCCCCCCCCCCC)CC[C@@]3(O)[C@H]1C5,CHEMBL2164301,9.21
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)CCCCCC)CC[C@@]3(O)[C@H]1C5,CHEMBL2164300,8.02
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(C)=O)CC[C@@]3(O)[C@H]1C5,CHEMBL2164299,7.69
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164298,9.02
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc4ccccc4c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164297,9.13
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164296,9.18
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164295,8.85
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(O)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163546,9.64
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163545,8.19
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(N)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163544,9.37
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(OC)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163543,9.74
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(C(F)(F)F)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163542,9.07
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(C)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163541,9.54
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163540,8.39
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(Br)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163539,8.41
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(Cl)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163538,8.94
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(F)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163537,9.33
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(I)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163536,9.96
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccccc2I)CC[C@@]3(O)[C@H]1C5,CHEMBL2163535,8.81
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163534,8.29
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795712,9.66
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795713,9.01
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,CHEMBL1795711,9.96
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@@H]2CO[C@H]4N21,CHEMBL2204025,8.06
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@H]2CO[C@@H]4N21,CHEMBL2204026,8.16
+CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@H]3OC2(C)C,CHEMBL2204027,8.67
+CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@@H]3OC2(C)C,CHEMBL2204028,8.27
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1CO[C@@H]3CO[C@H]2N31,CHEMBL2204029,8.63
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@H]3CO[C@@H]2N31,CHEMBL2204030,8.62
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1N3[C@H](OC1(C)C)C(C)(C)O[C@@H]32,CHEMBL2204031,8.73
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@@H](OC1(C)C)C(C)(C)O[C@H]32,CHEMBL2204032,8.57
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1CO[C@@H]3CO[C@H]2N31,CHEMBL2204033,7.0
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@H]3CO[C@@H]2N31,CHEMBL2204034,7.07
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1N3[C@H](OC1(C)C)C(C)(C)O[C@@H]32,CHEMBL2204035,7.06
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@@H](OC1(C)C)C(C)(C)O[C@H]32,CHEMBL2204036,6.87
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(Cc2ccccc2)CC[C@]315)O[C@H]1CO[C@H]2CO[C@@H]4N21,CHEMBL2204022,6.24
+CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5Cc4ccccc4)[C@H]1O7)[C@H]3OC2(C)C,CHEMBL2204023,6.35
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205421,7.91
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205420,8.19
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205419,9.49
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2205418,8.05
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205417,8.06
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205416,6.83
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205415,7.29
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205414,7.59
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205413,7.46
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205412,8.26
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204731,7.24
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204730,8.28
+CN(CCC[C@]1(O)[C@H]2CCN(CCF)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315358,8.08
+CC(C)CN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315359,7.34
+CCCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315360,7.72
+CCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315361,7.96
+CN(CCC[C@]1(O)[C@H]2CCN(C)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315362,8.56
+CC(=O)N1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387740,9.89
+CC(=O)N1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387739,9.96
+CC(=O)N1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387738,9.18
+CC(=O)N1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387737,9.32
+O=C(Nc1ccccc1)[C@@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387736,8.51
+O=C(Nc1ccccc1)[C@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387735,7.98
+O=C(Nc1ccccc1)[C@@H]1N(Cc2ccccc2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215911,8.55
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387733,9.68
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3215910,9.47
+O=C(Nc1ccccc1)[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215909,9.17
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387730,9.34
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL2387729,9.16
+O=C(Nc1ccccc1)[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215686,8.4
+CN1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387727,9.74
+CN1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387726,9.44
+CN1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216580,9.66
+CN1[C@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387724,9.7
+CN1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216802,9.57
+CN1[C@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3217022,9.72
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3215908,10.28
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216579,10.09
+O=C(Nc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3216338,10.12
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3216801,9.89
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216131,9.46
+O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217021,9.62
+O=C(Nc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217020,9.62
+O=C(Nc1ccccc1)[C@H]1O[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2016680,9.55
+CN1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419117,8.54
+N#Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc12,CHEMBL2419116,9.0
+Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc12,CHEMBL2419125,8.68
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2c(Cl)n1,CHEMBL2419124,8.9
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc2ccccc2n1,CHEMBL2419123,8.95
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc2ccccc2c1O,CHEMBL2417568,9.35
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1nc(Cl)c2ccccc2c1O,CHEMBL2419122,9.14
+COc1c(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)nc(Cl)c2ccccc12,CHEMBL2419121,9.26
+O=C(CNC(=O)c1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419120,8.57
+O=C(CCc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419119,9.17
+O=C(Cc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419118,8.92
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL522201,8.95
+COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,CHEMBL2437062,8.43
+COc1ccc(/C=C/C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(OC)c6c5[C@@]3(CCN4C)[C@H]2O6)cc1,CHEMBL2437061,7.6
+COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4ccc(C(F)(F)F)cc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,CHEMBL2437060,8.26
+COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4ccc(Cl)cc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,CHEMBL2437069,8.42
+COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4ccccc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,CHEMBL2437068,8.33
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C=C[C@H]3[C@H]1C5,CHEMBL2437067,9.92
+COc1ccc(/C=C/C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)cc1,CHEMBL2437066,9.13
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C=C[C@H]3[C@H]1C5,CHEMBL2437065,9.72
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)C=C[C@H]3[C@H]1C5,CHEMBL2437064,9.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccccc2)C=C[C@H]3[C@H]1C5,CHEMBL2437063,10.0
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436045,6.77
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1,CHEMBL2436057,7.2
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1,CHEMBL2436056,7.21
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436055,6.53
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL2434980,6.27
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436054,7.44
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436053,6.8
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(O)c1,CHEMBL2436052,7.63
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(C)C)cc1)c1cccc(O)c1,CHEMBL2436051,6.76
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1,CHEMBL2436050,7.7
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436049,5.7
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436048,6.19
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1,CHEMBL2436047,6.23
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL2436046,5.79
+COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O,CHEMBL2442645,5.05
+CCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442643,5.13
+CCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442642,5.24
+CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442641,5.12
+CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442640,4.29
+CCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL426912,5.09
+CC(C)CC(=O)OC/C=C\CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442639,4.38
+O=C(/C=C/C=C/C=C/c1cccs1)N1C=CCCC1,CHEMBL2442638,4.54
+O=C(/C=C/C=C/C=C/c1cccs1)N1CCCCC1,CHEMBL2442637,4.89
+CC(C)CNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442636,4.28
+CC(C)CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442635,5.09
+C[C@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216156,6.4
+Oc1ccc2c(c1)[C@]13CCN(C[C@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215718,6.43
+COCCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215715,6.7
+C[C@@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3217264,6.79
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccoc4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3217260,6.81
+Oc1ccc2c(c1)[C@]13CCN(CCF)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216602,6.84
+COCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216837,6.85
+CCOCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215946,6.93
+OCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216603,6.94
+COCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215714,6.95
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccco4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215943,7.08
+CCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216835,7.27
+CCOCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216840,7.33
+CCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216601,7.34
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215947,7.7
+Oc1ccc2c(c1)[C@]13CCN(C[C@@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216841,8.13
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]12CC[C@]1(O)[C@H]3[C@H](O2)C(=O)N1Cc1ccccc1,CHEMBL3264741,7.32
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264742,8.5
+CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264743,7.63
+CC(C)CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264744,6.73
+C=CCN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264745,7.16
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264746,7.34
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1c1ccccc1,CHEMBL3264747,8.34
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1CCc1ccccc1,CHEMBL3264748,8.76
+O=C(NCc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339381,9.82
+O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339380,9.62
+O=C(NCCc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339379,9.4
+O=C(NCc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339378,9.85
+O=C(Nc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339377,9.44
+Oc1ccc2c3c1OC1C34CCN(CC3CC3)C(C2)[C@]42CC[C@@]1(O)C=N2,CHEMBL3339376,9.55
+O=C1C[C@H]2N(CN1Cc1ccccc1)[C@@]13CC[C@]2(O)C2Oc4c(O)ccc5c4C21CCN(CC1CC1)C3C5,CHEMBL3339375,9.37
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339374,10.28
+O=C1C[C@@H]2N(CN1Cc1ccccc1)[C@@]13CC[C@]2(O)C2Oc4c(O)ccc5c4C21CCN(CC1CC1)C3C5,CHEMBL3339373,9.17
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339372,9.89
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO,CHEMBL38874,9.08
+C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccccc1O,CHEMBL3338874,7.69
+CC1(c2cccc(O)c2)OC2COC3N2C1OC3(C)c1cccc(O)c1,CHEMBL3326355,6.53
+C[C@@]1(c2cccc(O)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(O)c1,CHEMBL3326352,6.13
+C[C@@]1(c2cccc(O)c2)O[C@@H]2N3[C@H]1O[C@](C)(c1cccc(O)c1)[C@@H]3O[C@]2(C)c1cccc(O)c1,CHEMBL3326351,6.03
+C[C@@]1(c2cccc(O)c2)O[C@@H]2N3[C@H]1O[C@](C)(c1cccc(O)c1)[C@@H]3O[C@@]2(C)c1cccc(O)c1,CHEMBL3326350,6.19
+C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,CHEMBL3394775,4.39
+COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,CHEMBL73930,4.79
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC,CHEMBL312750,4.55
+COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC,CHEMBL312790,4.73
+COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC,CHEMBL476121,6.08
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2cc([N+](=O)[O-])ccc2cn1,CHEMBL3401554,8.24
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccc([N+](=O)[O-])cc2cn1,CHEMBL3401555,8.44
+CN(C)c1ccc2cc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)ncc2c1,CHEMBL3401556,8.36
+COc1cc2cnc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2cc1OC,CHEMBL3401557,7.87
+CN(C)c1ccc2c(c1)CN(C)C(C(=O)N[C@H]1CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]1O6)C2,CHEMBL3401558,8.75
+C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2,CHEMBL3604282,6.02
+C=CCN1C2CCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2,CHEMBL3604281,6.74
+C=CCN1CC2CCCC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604280,5.64
+C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604279,5.42
+C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604278,5.94
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,8.23
diff --git a/chembl_200/CHEMBL287.csv b/chembl_200/CHEMBL287.csv
new file mode 100644
index 0000000000000000000000000000000000000000..13e4e062e68b8b7ee3f0c92ea2330e075656199e
--- /dev/null
+++ b/chembl_200/CHEMBL287.csv
@@ -0,0 +1,1316 @@
+COc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL77906,9.44
+COc1ccc2c(c1)C(CCCN1CCN(C3CCCCC3)CC1)CCC2,CHEMBL75444,8.04
+COc1cccc2c1CCCC2CCCCN1CCN(C2CCCCC2)CC1,CHEMBL77220,8.81
+COc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1,CHEMBL419822,8.61
+COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL53325,7.982
+COc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1,CHEMBL75878,9.51
+COc1cccc2c1CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1,CHEMBL73854,8.26
+c1ccc2c(CCCCCN3CCN(C4CCCCC4)CC3)cccc2c1,CHEMBL75372,8.62
+COc1cccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL75286,8.8
+COc1cccc2c1CCCC2CCCCCN1CCN(C2CCCCC2)CC1,CHEMBL306365,8.82
+COc1cccc2c1CCCC2CCCCCCN1CCN(C2CCCCC2)CC1,CHEMBL74811,8.51
+c1ccc2c(c1)CCCC2CCCCN1CCN(C2CCCCC2)CC1,CHEMBL76758,10.44
+c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL75608,9.21
+c1ccc(CCN2CCCCC2)cc1,CHEMBL75228,6.51
+COc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1,CHEMBL309064,9.4
+Oc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL74723,8.27
+COc1cccc2c1CCCC2CCN1CCN(C2CCCCC2)CC1,CHEMBL74858,8.8
+c1ccc2c(c1)CCCC2CCCCCN1CCN(C2CCCCC2)CC1,CHEMBL74080,8.84
+c1ccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc2c1,CHEMBL75480,8.67
+c1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1,CHEMBL306133,9.66
+Oc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL73964,9.16
+O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1,CHEMBL53649,8.455
+COc1ccccc1CC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL146723,7.25
+COc1cccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL358321,7.59
+COc1ccccc1CCN1CCN(C(=O)Cc2ccccc2OC)CC1,CHEMBL147856,5.83
+O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(CCCc2ccccc2)CC1,CHEMBL144469,8.1
+O=[N+]([O-])c1ccccc1CCN1CCN(CCCc2ccccc2)CC1,CHEMBL356582,8.92
+O=[N+]([O-])c1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL148008,8.59
+O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCCc2ccccc2)CC1,CHEMBL147575,7.85
+NCCN1CCN(CCCc2ccccc2)CC1,CHEMBL148112,8.59
+COc1ccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL359209,7.89
+Nc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL146999,8.39
+COc1ccc(CCN2CCN(CCc3ccc(OC)cc3)CC2)cc1,CHEMBL146411,8.09
+CC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL147208,7.07
+NCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL440173,8.39
+Nc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL147098,8.7
+O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(CCCc2ccccc2)CC1,CHEMBL148377,8.12
+COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1,CHEMBL144393,6.84
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL358559,6.76
+NCCCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL148164,6.69
+NCCCN1CCN(CCCc2ccccc2)CC1,CHEMBL424114,6.74
+COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL358116,8.85
+Nc1ccccc1CCN1CCN(CCCc2ccccc2)CC1,CHEMBL147370,8.32
+O=[N+]([O-])c1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL144741,9.14
+COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1,CHEMBL146546,8.28
+CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL342809,9.49
+COc1cccc(CCN2CCN(C(=O)Cc3cccc(OC)c3)CC2)c1,CHEMBL146294,7.93
+Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl,CHEMBL343654,8.66
+COc1ccccc1CCN1CCN(CCCc2ccccc2)CC1,CHEMBL147779,8.41
+NCCCCN1CCN(CCCc2ccccc2)CC1,CHEMBL144072,6.75
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(CCCc2ccccc2)CC1,CHEMBL147485,7.55
+COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL144490,8.89
+NCCC(=O)N1CCN(CCCc2ccccc2)CC1,CHEMBL356738,6.83
+O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL77286,8.28
+O=C(Cc1c(Cl)cccc1Cl)NC1CCN(Cc2ccccc2)CC1,CHEMBL77352,8.14
+O=C(Cc1ccccc1Br)NC1CCN(Cc2ccccc2)CC1,CHEMBL431775,8.54
+COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC,CHEMBL76528,6.45
+COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1,CHEMBL312576,6.92
+O=C(Cc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL306768,8.61
+O=C(Cc1cc(F)ccc1F)NC1CCN(Cc2ccccc2)CC1,CHEMBL77289,8.38
+O=C(Cc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL310499,8.46
+O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1,CHEMBL74665,7.85
+COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL308304,7.18
+COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1,CHEMBL77120,7.52
+O=C(Cc1cc(F)cc(F)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL312254,8.12
+O=C(Cc1ccc(F)c(F)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL308818,8.5
+O=C(Cc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1,CHEMBL76564,8.51
+O=C(Cc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL413057,8.19
+O=C(Cc1cccc(O)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL419656,6.96
+O=C(Cc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1,CHEMBL80397,8.14
+COc1cccc(C(O)CNC2CCN(Cc3ccccc3)CC2)c1OC,CHEMBL311451,7.49
+CSc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL76802,7.19
+COc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1,CHEMBL312631,7.51
+O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL76864,8.85
+OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1036,7.84
+O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1,CHEMBL305728,7.57
+O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL311622,8.34
+O=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1,CHEMBL306955,8.06
+COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC,CHEMBL80326,7.1
+O=C(Cc1ccccc1F)NC1CCN(Cc2ccccc2)CC1,CHEMBL76806,8.445
+CSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL75816,7.57
+O=C(Cc1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL77285,8.4
+O=C(Cc1c(F)cccc1F)NC1CCN(Cc2ccccc2)CC1,CHEMBL78059,8.24
+O=C(Cc1ccc(O)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL75810,7.62
+O=C(Cc1ccc(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1,CHEMBL262760,8.02
+O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL77405,9.06
+O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL77773,8.01
+Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL80395,6.33
+O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL76895,8.41
+O=C(Cc1ccc(O)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL75864,6.54
+O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL77953,8.41
+O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL307253,7.74
+O=C(Cc1ccccc1O)NC1CCN(Cc2ccccc2)CC1,CHEMBL311579,7.73
+COc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1,CHEMBL312692,7.98
+COc1ccc(OC)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1,CHEMBL308097,7.36
+O=C(Cc1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1,CHEMBL76547,8.41
+COc1ccc(S(=O)(=O)N(C)CCN2CCCCCC2)cc1I,CHEMBL83448,8.51
+COc1ccc(S(=O)(=O)NCCN2CCCCC2)cc1I,CHEMBL82081,7.38
+CCN(CC)CCNS(=O)(=O)c1ccc(I)cc1,CHEMBL81451,8.3
+CCN(CC)CCNS(=O)(=O)c1ccc(Br)cc1,CHEMBL81389,8.0
+O=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1,CHEMBL81360,8.18
+CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1,CHEMBL309983,9.74
+O=S(=O)(NCCN1CCCC1)c1ccc(I)cc1,CHEMBL79840,8.605
+CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(I)cc1,CHEMBL81455,9.85
+O=S(=O)(NCCN1CCCCC1)c1ccc(Br)cc1,CHEMBL79841,8.81
+O=S(=O)(NCCN1CCCCCC1)c1ccc(Br)cc1,CHEMBL79660,9.2
+O=S(=O)(NCCN1CCCCCC1)c1ccc(I)cc1,CHEMBL439765,8.88
+O=S(=O)(NCCN1CCCCC1)c1ccc(I)cc1,CHEMBL81500,9.34
+N=C(NCc1ccccc1)NCc1ccccc1,CHEMBL83430,7.56
+CCC(=O)c1ccc2c(c1)sc(=O)n2C(=O)CC,CHEMBL14553,7.2
+O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(I)c1,CHEMBL539938,8.52
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,CHEMBL50112,8.77
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1I,CHEMBL46326,8.79
+C[C@H](Cc1ccccc1)N(C)CCCc1ccccc1,CHEMBL20517,8.89
+c1ccc(CCCCCN2CCCC2)cc1,CHEMBL277462,9.12
+CCOc1ccc(CC(C)NCCCc2ccccc2)cc1,CHEMBL20768,8.32
+c1ccc(CCCCCNCc2ccccc2)cc1,CHEMBL19315,9.49
+c1ccc(CCCCCNCCc2ccccc2)cc1,CHEMBL19355,9.77
+C[C@@H](Cc1ccccc1)NCCCCc1ccccc1,CHEMBL20976,8.155
+CNCCCCCC1CCCCC1,CHEMBL278525,8.17
+C[C@H](Cc1ccccc1)N(CCCc1ccccc1)Cc1ccccc1,CHEMBL282069,6.89
+CN(CCCCCc1ccccc1)CCc1ccccc1,CHEMBL19544,9.6
+CCCC(Cc1ccccc1)[N+](C)(C)CCCc1ccccc1,CHEMBL20108,6.47
+CN(C)CCCCCc1ccccc1,CHEMBL21023,7.93
+CC(Cc1cccc(Br)c1)NCCCc1ccccc1,CHEMBL281619,8.115
+c1ccc(CCCNCCc2ccccc2)cc1,CHEMBL283775,7.95
+c1ccc(CCCCCN2CCCCC2)cc1,CHEMBL20188,9.32
+CCCC(Cc1ccccc1)NCCCCc1ccccc1,CHEMBL434393,8.57
+CC(Cc1ccc(O)cc1)NCCCc1ccccc1,CHEMBL20807,7.785
+c1ccc(CCCCCNCCCCc2ccccc2)cc1,CHEMBL20153,9.32
+CN(CCCc1ccc2ccccc2c1)CCCc1ccc2ccccc2c1,CHEMBL19985,7.52
+C[C@@H](Cc1ccccc1)NCCCc1ccccc1,CHEMBL20337,7.763
+c1ccc(CCCCNCCc2ccccc2)cc1,CHEMBL280111,8.59
+C[C@H](Cc1ccccc1)NCCCCCc1ccccc1,CHEMBL280160,9.05
+C[C@H](Cc1ccccc1)NCCCc1cccc2ccccc12,CHEMBL277466,8.07
+c1ccc(CCCCCCCNCc2ccccc2)cc1,CHEMBL19850,8.64
+C[C@H](Cc1ccccc1)NCCCc1ccccc1,CHEMBL20626,7.598
+C[C@@H](Cc1ccc(I)cc1)NCCCc1ccccc1,CHEMBL19803,7.75
+c1ccc(CCCCCCCNCCc2ccccc2)cc1,CHEMBL19797,8.82
+c1ccc(CCCCNCc2ccccc2)cc1,CHEMBL19628,8.02
+CCCCCNCCc1ccccc1,CHEMBL20355,7.32
+NCCCCCC1CCCCC1,CHEMBL19920,6.72
+CC(Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1,CHEMBL19841,8.235
+C[C@H](Cc1ccccc1)NCCCCc1ccccc1,CHEMBL20537,7.71
+CN(CCCCCc1ccccc1)Cc1ccccc1,CHEMBL19314,9.72
+C[C@H](Cc1ccccc1)NCCCc1ccc2ccccc2c1,CHEMBL19878,8.24
+CC(Cc1ccc(Br)cc1)NCCCc1ccccc1,CHEMBL19802,7.99
+CNCCCCCc1ccccc1,CHEMBL19988,6.38
+CN(C)CCCCCC1CCCCC1,CHEMBL20036,9.59
+C[C@@H](CC1C=CC=CC1)[N+](C)(C)CCCc1ccccc1,CHEMBL280359,6.87
+c1ccc(CCCCCNCCCc2ccccc2)cc1,CHEMBL19638,9.55
+CN(CCCCCc1ccccc1)CCCc1ccccc1,CHEMBL19637,9.42
+c1ccc(CNCCCCCC2CCCCC2)cc1,CHEMBL416730,9.09
+CC(Cc1cccc2ccccc12)NCCCc1ccccc1,CHEMBL19082,7.89
+C[C@@H](Cc1ccccc1)NCCc1ccccc1,CHEMBL20804,7.435
+CCCN(C)CCCCCc1ccccc1,CHEMBL20348,9.54
+c1ccc(CCNCCN2CCCC2)cc1,CHEMBL19934,7.08
+C[C@H](Cc1ccccc1)N(C)CCc1ccccc1,CHEMBL436542,8.24
+c1ccc(CCCNCCCc2ccccc2)cc1,CHEMBL20166,7.94
+Clc1ccc(CCN2CCCC2)cc1Cl,CHEMBL543632,7.54
+CN(CCCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCCN1CCCC1,CHEMBL108972,5.95
+CN(CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN(C)CCN(C)CCN1CCCC1,CHEMBL107922,6.64
+CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL107870,8.1
+CN(CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN(C)CCN1CCCC1,CHEMBL110099,6.96
+CN(CCCCN1CCCC1)CCCN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL107717,6.89
+NCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL321702,7.39
+NCCNCCc1ccc(Cl)c(Cl)c1,CHEMBL325320,6.485
+Clc1ccc(CCNCCNCCN2CCCC2)cc1Cl,CHEMBL107485,7.27
+CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL109026,8.83
+NCCNCCNCCc1ccc(Cl)c(Cl)c1,CHEMBL107720,6.61
+CN(CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN1CCCC1,CHEMBL324620,7.86
+CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN1CCCC1,CHEMBL323476,7.11
+CN(CCCN1CCCC1)CCN(C)Cc1ccc(Cl)c(Cl)c1,CHEMBL111331,7.52
+O=S1(=O)c2ccccc2CCC12CCN(Cc1ccccc1)CC2,CHEMBL38904,7.7
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,5.07
+c1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1,CHEMBL38634,9.21
+c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1,CHEMBL39900,9.265
+O=S1c2ccccc2CCC12CCN(Cc1ccccc1)CC2,CHEMBL38085,7.6
+O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2,CHEMBL41830,8.925
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1,CHEMBL290675,7.7
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1,CHEMBL287794,8.23
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1,CHEMBL41313,8.02
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNC1CCCCC1,CHEMBL38697,7.38
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1,CHEMBL288285,7.87
+C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL277927,6.832999999999999
+CCN(CC)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL39284,7.82
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNCc1ccccc1,CHEMBL290235,7.53
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)C,CHEMBL37966,7.7
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1,CHEMBL43398,8.13
+CCN(CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C)c1ccccc1,CHEMBL290032,7.37
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1,CHEMBL289948,8.25
+O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL540013,9.3
+O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1,CHEMBL558028,7.64
+N#Cc1ccc(C2(C(=O)OCCN3CCC(c4ccccc4)CC3)CCCC2)cc1,CHEMBL545678,8.89
+O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL539245,7.11
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL544516,8.4
+O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL537989,7.2
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1,CHEMBL554628,8.84
+COc1ccc(C2(C(=O)OCCN3CCC(c4ccccc4)CC3)CCCC2)cc1,CHEMBL543808,8.99
+O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1,CHEMBL555580,8.56
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1,CHEMBL541284,10.3
+O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1,CHEMBL556409,9.06
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL544041,8.87
+O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1,CHEMBL542131,9.57
+O=C(OCCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL539252,8.92
+O=C(OCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL542380,9.21
+O=C(OCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,CHEMBL542630,9.29
+COc1ccc(C2(C(=O)OCCCN3CCC(c4ccccc4)CC3)CCCC2)cc1,CHEMBL537464,9.19
+O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL545216,8.82
+CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL61946,7.7
+CCC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1,CHEMBL276935,7.14
+CN(C)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21,CHEMBL15185,6.44
+O=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCN1CCCC1,CHEMBL15288,7.27
+CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1,CHEMBL274699,9.22
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCC1,CHEMBL14835,6.24
+CCCCC(=O)c1ccc2c(c1)sc(=O)n2CCN(C)C,CHEMBL14900,6.2
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCCC1,CHEMBL14876,7.33
+O=c1oc2cc(Cc3ccccc3)ccc2n1CCN1CCOCC1,CHEMBL15223,7.14
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.68
+O[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,CHEMBL129768,7.19
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,6.1
+Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL281594,6.5
+CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1,CHEMBL282567,7.77
+O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,CHEMBL129263,6.31
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL301867,6.795
+CN(CCc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1,CHEMBL2303661,8.7
+CN(C(=O)Cc1cc(Cl)c(Cl)cc1N)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607449,7.96
+CCCN1CCCC(c2cccc(O)c2)C1,CHEMBL276500,7.11
+N=C(Nc1ccccc1)Nc1ccccc1,CHEMBL77675,6.15
+C1=C(c2ccccc2)CCN(CCCCc2ccncc2)C1,CHEMBL96777,8.57
+C1=C(c2cccs2)CCN(CCCCc2ccncc2)C1,CHEMBL97302,8.67
+COc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL94801,9.35
+C1=C(c2ccccn2)CCN(CCCCc2ccncc2)C1,CHEMBL94844,7.35
+C1=C(c2ccc3ccccc3c2)CCN(CCCCc2ccncc2)C1,CHEMBL94950,8.51
+Cc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL97285,8.23
+Fc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL421195,8.76
+Clc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL93442,8.98
+C1=C(c2c[nH]c3ccccc23)CCN(CCCCc2ccncc2)C1,CHEMBL96524,7.99
+CC(Cc1ccccc1)NC(C)c1ccccc1,CHEMBL273866,6.56
+C[C@H](Cc1ccccc1)NCc1ccccc1,CHEMBL1907644,6.93
+CCN[C@H](C)Cc1ccccc1,CHEMBL1907646,6.18
+C[C@H](Cc1ccccc1)NCCOc1ccccc1,CHEMBL1907648,7.35
+C[C@@H](N)Cc1ccccc1,CHEMBL19393,4.33
+CC(Cc1ccccc1)NCCCCc1ccccc1,CHEMBL12047,8.03
+C[C@@H](Cc1ccccc1)N(C)CCCCCc1ccccc1,CHEMBL1907650,8.59
+CN[C@@H](C)Cc1ccccc1,CHEMBL1201201,5.08
+CCCN[C@H](C)Cc1ccccc1,CHEMBL1907643,5.79
+C[C@H](Cc1ccccc1)NCC1CC1,CHEMBL1907645,6.18
+C[C@H](Cc1ccccc1)NCC#Cc1ccccc1,CHEMBL1907649,7.01
+C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1,CHEMBL1907647,7.25
+CN1CCC2(CC1)OC=C(c1ccc(F)cc1)C2=O,CHEMBL555900,5.4
+O=C1C(c2ccccc2)=COC12CCN(CCc1ccsc1)CC2,CHEMBL556831,7.92
+O=C1C=C(c2ccccc2)OC12CCCNC2,CHEMBL545457,5.46
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL542395,8.52
+O=C1C(c2ccc3ccccc3c2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL543343,7.46
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)C2,CHEMBL542877,7.49
+O=C1C(c2ccc(F)cc2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL545693,7.62
+CCN(CC)CCC1(C)OC(c2ccccc2)=CC1=O,CHEMBL540285,7.36
+O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,CHEMBL553784,8.22
+CN(C)CCC1(c2ccccc2)OC=C(c2ccccc2)C1=O,CHEMBL545454,6.65
+O=C1C=C(c2ccccc2)OC12CCCN(Cc1ccccc1)C2,CHEMBL544761,5.34
+CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,CHEMBL543587,7.8
+O=C1C(c2ccccc2)=COC12CCN(CCc1ccccc1)CC2,CHEMBL553372,7.8
+O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,CHEMBL543344,8.4
+O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,CHEMBL542398,8.7
+COc1ccc(C2=COC3(CCN(CCc4ccccc4)CC3)C2=O)cc1,CHEMBL556035,7.52
+O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,CHEMBL554415,8.4
+CN1CCC2(CC1)OC=C(c1ccccc1)C2=O,CHEMBL552631,6.24
+C#CCN1CCC2(CC1)OC=C(c1ccccc1)C2=O,CHEMBL553666,4.7
+O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL545695,8.4
+O=C(CCCN1CCCC2(C1)OC(c1ccccc1)=CC2=O)c1ccc(F)cc1,CHEMBL539521,6.42
+CN(C)CCC1(c2ccccc2)OC=CC1=O,CHEMBL540033,5.29
+CN(C)CC1(C)OC=C(c2ccccc2)C1=O,CHEMBL542148,5.09
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)CC2,CHEMBL552687,8.4
+O=C1C=C(c2ccccc2)OC12CCNCC2,CHEMBL543111,6.34
+COc1ccc(C2=CC(=O)C3(CCN(CCc4ccccc4)CC3)O2)cc1,CHEMBL543591,7.59
+CN1CCC2(CC1)OC(c1ccccc1)=CC2=O,CHEMBL556133,6.53
+O=C(CCCN1CCC2(CC1)OC=C(c1ccccc1)C2=O)c1ccc(F)cc1,CHEMBL540799,7.77
+O=C1C(c2ccccc2)=COC12CCN(Cc1cccc(Cl)c1)CC2,CHEMBL538248,6.63
+O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,CHEMBL553500,9.0
+O=C1C(c2ccccc2)=COC12CCCNC2,CHEMBL553288,5.94
+O=C1C=C(c2ccccc2)OC12CN1CCC2CC1,CHEMBL543109,5.38
+O=C1C(c2ccccc2)=COC12CCN(Cc1ccco1)CC2,CHEMBL559021,7.05
+CN1C2CCC1CC1(C2)OC=C(c2ccccc2)C1=O,CHEMBL541055,6.49
+CCN(CC)CCC1(C)OC=C(c2ccccc2)C1=O,CHEMBL540538,8.05
+Cc1cc(CN2CCC3(CC2)OC=C(c2ccccc2)C3=O)on1,CHEMBL553082,5.12
+O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,CHEMBL544996,9.0
+O=C1C(c2ccccc2)=COC12CCCN(Cc1ccccc1)C2,CHEMBL540028,6.16
+O=C1C(c2ccccc2)=COC12CCNCC2,CHEMBL541817,5.21
+C=CCN1CCC2(CC1)OC=C(c1ccccc1)C2=O,CHEMBL555614,6.79
+O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,CHEMBL545222,9.0
+COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1,CHEMBL46169,6.57
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1,CHEMBL45686,7.72
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)c(OC)c4)CC3)OC2=O)cc1,CHEMBL46438,7.74
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(OC(F)(F)F)cc1,CHEMBL45535,9.0
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(C)cc4)CC3)OC2=O)cc1,CHEMBL298492,7.72
+COc1ccc(N2C[C@H](CN3CC=C(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1,CHEMBL289645,6.77
+COc1ccc(N2C[C@H](CN3CCC(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1,CHEMBL48124,7.72
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(F)cc1,CHEMBL48075,7.8
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(O)cc1,CHEMBL45968,7.62
+COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1,CHEMBL297634,7.47
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,CHEMBL22242,7.26
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)CCO5)CC3)OC2=O)cc1,CHEMBL295891,7.77
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccccc1,CHEMBL47774,8.3
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(OCC2CC2)cc1,CHEMBL417353,8.7
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)cc4)CC3)OC2=O)cc1,CHEMBL47714,7.92
+CC(=O)Oc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1,CHEMBL47834,6.6
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCCO5)CC3)OC2=O)cc1,CHEMBL47678,7.51
+O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(Cl)cc1,CHEMBL47715,8.52
+COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccc(OC)cc4)CC3)OC2=O)cc1,CHEMBL46496,6.92
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1,CHEMBL417181,7.82
+COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)cc1,CHEMBL43783,6.52
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OC4(CCCC4)O5)CC3)OC2=O)cc1,CHEMBL47279,7.21
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OC(C)(C)O5)CC3)OC2=O)cc1,CHEMBL296504,7.8
+CCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1,CHEMBL50771,7.82
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccsc4)CC3)OC2=O)cc1,CHEMBL45962,7.47
+COc1ccc(N2C[C@H](CN3CCC(O)(c4cccs4)CC3)OC2=O)cc1,CHEMBL295039,7.39
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1,CHEMBL417357,8.15
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)cc1,CHEMBL44604,7.85
+COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1,CHEMBL45849,7.68
+CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL607155,8.06
+CN(C(=O)Cc1ccc2ccccc2c1)C1CCCCC1N1CCCC1,CHEMBL2303668,7.96
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL607105,6.34
+CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607331,5.86
+CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL316988,8.057
+CN(CCc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL606938,7.52
+CN(CCc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL607106,7.05
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607334,5.14
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1,CHEMBL58033,6.23
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL441765,6.04
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL60547,6.845
+c1ccc(CCCNC2CCc3ccccc3C2)cc1,CHEMBL25858,7.7
+c1ccc(CCCNC2CCCc3ccccc3C2)cc1,CHEMBL55318,7.08
+CC(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1,CHEMBL298758,7.92
+c1ccc(CCCNC2CCc3ccccc3CC2)cc1,CHEMBL296601,8.1
+c1ccc(CCCNC2Cc3ccccc3C2)cc1,CHEMBL55317,7.56
+CCCc1ccc(CC(C)NCCCc2ccccc2)cc1,CHEMBL53253,8.21
+O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL321329,7.95
+CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL101909,8.91
+CCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL102695,8.46
+CC(Cc1ccc(I)cc1)NCCCc1ccccc1,CHEMBL293952,8.08
+COc1ccc(CC(C)NCCCc2ccccc2)cc1,CHEMBL53170,8.02
+CC(Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1,CHEMBL54808,7.57
+c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1,CHEMBL325238,9.05
+OC1(c2ccccc2)CCN(CCCc2ccccc2)CC1,CHEMBL115508,8.52
+c1ccc(CCCN2CCC(c3ccccc3)CC2)cc1,CHEMBL112124,8.96
+CN1CC[C@]23c4cccc(O)c4O[C@H]2C(=O)CC[C@H]3C1,CHEMBL324418,5.68
+O=C1CC[C@@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106910,6.51
+COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL321289,6.36
+Oc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL319236,6.24
+O=C1CC[C@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106027,6.15
+COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL106085,6.39
+Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213,CHEMBL104042,7.68
+Oc1cccc2c1O[C@H]1[C@H](O)CC[C@@H]3CN(CC4CC4)CC[C@@]231,CHEMBL323281,6.52
+CCC[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCCN)N(Cc2ccccc2)C1=O,CHEMBL307930,5.62
+CC[C@H](C)[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCN)N(Cc2ccccc2)C1=O,CHEMBL308373,7.21
+CC[C@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCN)N(Cc2ccccc2)C1=O,CHEMBL306494,6.48
+NCCCCC[C@@H]1C(=O)N([C@H](CC2CCCCC2)C(N)=O)C(=O)N1Cc1ccccc1,CHEMBL307882,5.44
+NCCC[C@H]1C(=O)N([C@H](CC2CCCCC2)C(N)=O)C(=O)N1Cc1ccccc1,CHEMBL309356,6.39
+CCC[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@H](CCCCN)N(Cc2ccccc2)C1=O,CHEMBL73529,7.19
+CCC[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCN)N(Cc2ccccc2)C1=O,CHEMBL74753,7.1
+NCCCC[C@@H]1C(=O)N([C@H](CC2CCCCC2)C(N)=O)C(=O)N1Cc1ccccc1,CHEMBL75160,6.72
+CC[C@@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCN)N(Cc2ccccc2)C1=O,CHEMBL308287,6.9
+CC[C@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCCN)N(Cc2ccccc2)C1=O,CHEMBL75052,5.34
+NCCCC[C@@H]1C(=O)N([C@@H](CC2CCCCC2)C(N)=O)C(=O)N1Cc1ccccc1,CHEMBL75938,6.6
+CCC[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCN)N(Cc2ccccc2)C1=O,CHEMBL269438,6.36
+C(=C/c1ccccc1)\COCC1CCN(CCCc2ccccc2)CC1,CHEMBL308980,7.74
+c1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL80656,7.57
+Fc1ccc(C#CCOCCC2CCN(CCc3ccccc3)CC2)cc1,CHEMBL308098,8.7
+C(#Cc1ccccc1)COCC1CCN(Cc2ccccc2)CC1,CHEMBL308185,8.4
+C(=C/c1ccccc1)\COCC1CCN(CC2CC2)CC1,CHEMBL77204,8.3
+C(#Cc1ccccc1)COCCC1CCN(CC2CC2)CC1,CHEMBL75678,9.0
+Fc1ccc(/C=C/COCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL80968,7.92
+C(=C/c1ccccc1)\COCC1CCN(CCc2ccccc2)CC1,CHEMBL77206,8.3
+C(=C\c1ccccc1)\COCC1CCN(Cc2ccccc2)CC1,CHEMBL307444,7.05
+C(/C=C/c1ccccc1)=C\OCC1CCN(Cc2ccccc2)CC1,CHEMBL80784,6.67
+C/C=C/CN1CCC(COC/C=C/c2ccccc2)CC1,CHEMBL76475,8.1
+FC(F)(F)c1ccc(/C=C/COCC2CCN(Cc3ccccc3)CC2)cc1,CHEMBL430444,7.55
+Fc1ccc(CCN2CCC(CCOCC#Cc3ccccc3)CC2)cc1,CHEMBL76927,7.74
+C(#Cc1ccccc1)COC1CCN(CCc2ccccc2)CC1,CHEMBL311508,8.4
+C(#Cc1ccccc1)COCCC1CCN(CCc2ccccc2)CC1,CHEMBL78067,8.15
+C(=C/c1ccccc1)\COCC1CCN(Cc2ccccc2)CC1,CHEMBL76849,8.15
+C(=C/c1ccccc1)\COCC1CCN(Cc2cccc3ccccc23)CC1,CHEMBL309015,8.1
+C(COCC1CCN(Cc2ccccc2)CC1)=C(c1ccccc1)c1ccccc1,CHEMBL75860,7.66
+O=C1CC2(CCN(Cc3ccccc3)CC2)OC=C1c1ccccc1,CHEMBL544533,8.4
+O=C1CC2(CCCN(Cc3ccccc3)C2)OC=C1c1ccccc1,CHEMBL552910,7.89
+O=C1C=C(c2ccco2)OC2(CCN(CCc3ccccc3)CC2)C1,CHEMBL542647,7.15
+COc1ccc(C2=COC3(CCN(CCc4ccccc4)CC3)CC2=O)cc1,CHEMBL545697,7.52
+O=C1CC2(CN3CCC2CC3)OC=C1c1ccccc1,CHEMBL544532,5.8
+CN(C)CC1(C)CC(=O)C(c2ccccc2)=CO1,CHEMBL552858,6.45
+CN1CCC2(CC1)CC(=O)C(c1ccc(F)cc1)=CO2,CHEMBL544055,5.14
+CN1CCC2(CC1)CC(=O)C(c1ccccc1)=CO2,CHEMBL539518,5.16
+O=C1C=C(c2ccccc2)OC2(CCN(CCc3ccccc3)CC2)C1,CHEMBL539526,8.0
+CN1C2CCC1CC1(CC(=O)C(c3ccccc3)=CO1)C2,CHEMBL542646,5.74
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1cccs1,CHEMBL543823,8.15
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1F,CHEMBL542400,9.0
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1,CHEMBL538755,8.3
+O=C1CC2(CCCN(Cc3ccccc3)C2)OC=C1c1ccc(F)cc1,CHEMBL553864,6.88
+CCN(CC)CCCC1(C)CC(=O)C(c2ccccc2)=CO1,CHEMBL542399,7.47
+O=C1CC2(CCN(CCc3ccccc3)CC2)OCC1c1ccc(F)cc1,CHEMBL539007,8.4
+O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccc(F)cc1,CHEMBL543822,8.22
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL280063,8.1
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,8.3
+Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL16123,8.3
+C[C@H]1CN(CCc2ccc3c(c2)sc(=O)n3C)C[C@@H](C)N1,CHEMBL15499,5.7
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL15637,8.05
+C[C@H]1CN(CCCCc2ccc3c(c2)sc(=O)n3C)C[C@@H](C)N1,CHEMBL280088,7.0
+Cn1c(=O)sc2cc(CCCCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL15986,8.52
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15955,8.52
+Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL15809,8.3
+CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12,CHEMBL300647,5.95
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.63
+CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL147152,6.77
+OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL358579,8.25
+COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL141209,8.89
+CCOC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148236,6.74
+OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL357179,8.14
+OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL434067,8.15
+N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL147151,8.66
+N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148276,8.81
+OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL137990,8.66
+OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL144662,7.9
+CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL147093,7.93
+CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL358541,8.03
+COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL138809,8.94
+N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148289,7.8
+OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL138533,8.13
+CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL148009,8.05
+N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL147316,8.67
+CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL344348,6.83
+CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL148054,7.82
+O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL342351,7.26
+COc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1,CHEMBL64751,7.66
+COc1c(C(=O)NCCN2CCc3ccccc3C2)cc(Br)c2ccccc12,CHEMBL60133,7.82
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL60048,5.51
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60139,5.94
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL62638,7.55
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL291439,4.89
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL53038,7.71
+COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC,CHEMBL305366,6.56
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60140,6.72
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,6.09
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL64176,5.53
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,4.98
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL61789,6.12
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1OC)CC2,CHEMBL64261,5.26
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCN(c2ccccc2)CC1,CHEMBL65951,6.125
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL302096,7.72
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCC(c2ccccc2)CC1,CHEMBL308433,7.57
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL71104,7.925
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCN1CCC(c2ccccc2)CC1,CHEMBL303408,8.04
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1,CHEMBL73169,7.63
+CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2,CHEMBL73818,8.37
+CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2,CHEMBL424606,8.88
+CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2,CHEMBL306318,8.6
+CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2,CHEMBL74803,8.92
+CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2,CHEMBL77817,8.54
+CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2,CHEMBL73633,8.78
+CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2,CHEMBL75555,8.66
+CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2,CHEMBL77812,8.87
+C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL101510,6.8
+CC1(C)C2CC[C@]1(C)CN(C1CCCCC1)C2,CHEMBL74499,8.52
+CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2,CHEMBL307839,8.54
+CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2,CHEMBL308816,8.97
+COc1cccc(CCN(C)CCN2CCCC2)c1,CHEMBL119104,7.62
+COc1ccccc1CCN(C)CCN1CCCC1,CHEMBL115956,7.8
+CN(CCc1ccccc1[N+](=O)[O-])CCN1CCCC1,CHEMBL324513,8.11
+CN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1,CHEMBL116773,6.06
+CN(CCc1cccc(N)c1)CCN1CCCC1,CHEMBL118160,6.24
+CN(CCN1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1,CHEMBL326935,5.73
+COc1ccccc1CC(=O)N(C)CCN1CCCC1,CHEMBL117051,5.26
+COc1ccc(CC(=O)N(C)CCN2CCCC2)cc1,CHEMBL119458,5.65
+COc1ccc(CCN(C)CCN2CCCC2)cc1,CHEMBL118297,7.52
+CN(CCc1ccccc1N)CCN1CCCC1,CHEMBL116434,6.54
+COc1cccc(CC(=O)N(C)CCN2CCCC2)c1,CHEMBL117050,5.51
+CN(CCc1ccc(N)cc1)CCN1CCCC1,CHEMBL119481,6.56
+CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCCC1,CHEMBL118405,8.19
+CN(CCN1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-],CHEMBL119310,6.13
+CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1,CHEMBL118797,8.37
+C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2Cc1ccccc1,CHEMBL141070,6.955
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,7.127999999999999
+COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL141278,7.99
+OC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL138103,7.91
+COC1Cc2ccccc2C2(CCN(C)CC2)O1,CHEMBL138856,5.36
+COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL138458,8.68
+c1ccc(COC2Cc3ccccc3C3(CCN(Cc4ccccc4)CC3)O2)cc1,CHEMBL140030,7.02
+COC1Cc2ccccc2C2(CCN(C/C=C/c3ccccc3)CC2)O1,CHEMBL138457,7.88
+COC1Cc2ccccc2C2(CCNCC2)O1,CHEMBL139455,4.7
+c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1,CHEMBL138083,9.16
+O=C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL138286,7.53
+OC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL138560,7.36
+C1=Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL137979,8.73
+COC1Cc2ccccc2C2(CCN(c3ccccc3)CC2)O1,CHEMBL138857,5.0
+COC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL141743,8.18
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL343793,7.67
+CCOC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL138102,8.23
+O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL95857,7.67
+O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL50880,7.04
+O[C@@H]1C[C@H]2CCCN(C/C=C/I)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL95701,6.9
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL20730,7.59
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,6.03
+Clc1ccc(CCN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1Cl,CHEMBL308284,8.77
+Clc1ccc(CCN2CCCNCC2)cc1Cl,CHEMBL74613,6.81
+Clc1ccc(CCNC2CN3CCC2CC3)cc1Cl,CHEMBL75301,6.22
+CN(CCc1ccc(Cl)c(Cl)c1)CC1(N2CCCCC2)CCCCC1,CHEMBL75036,7.11
+CN(CCN1CCCC1)C1CCc2cc(Cl)c(Cl)cc2C1,CHEMBL308529,8.89
+CN(CCc1ccc(Cl)c(Cl)c1)C1CN2CCC1CC2,CHEMBL75300,7.1
+Clc1ccc(CCN2CCN3CCC[C@H]3C2)cc1Cl,CHEMBL74729,8.27
+CN1CCCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL76351,6.76
+Clc1ccc(CCNCC2(N3CCCCC3)CCCCC2)cc1Cl,CHEMBL75037,7.79
+CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL73824,8.12
+CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL310240,9.26
+Clc1ccc(CCN2CCN3CCCCC3C2)cc1Cl,CHEMBL309062,9.01
+Clc1cc2c(cc1Cl)CC(NCCN1CCCC1)CC2,CHEMBL78100,8.41
+CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL311621,8.8
+Clc1ccc(CCN2CCN3CCC[C@@H]3C2)cc1Cl,CHEMBL306586,8.85
+Clc1ccc(CCN2CCN3CCC2CC3)cc1Cl,CHEMBL76516,6.18
+Clc1ccc(CCN2CCNCC2)cc1Cl,CHEMBL76336,6.92
+CCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL74031,8.77
+c1ccc(CCCN2CCN(c3ccc4ccccc4c3)CC2)cc1,CHEMBL112574,8.55
+FC(F)(F)c1cccc(N2CCN(CCCCc3ccccc3)CC2)c1,CHEMBL114477,8.27
+Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL325262,7.72
+c1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL85879,8.59
+c1ccc(N2CCNCC2)cc1,CHEMBL9434,4.94
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,5.57
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,7.98
+c1ccc(CN2CCNCC2)cc1,CHEMBL113600,4.98
+O=C(c1ccccc1)N1CCNCC1,CHEMBL113624,4.94
+FC(F)(F)c1cccc(N2CCNCC2)c1,CHEMBL274866,5.87
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,8.54
+O=C(c1ccccc1)N1CCN(CCCCc2ccccc2)CC1,CHEMBL19351,6.9
+FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113293,8.12
+COc1ccc(N2CCNCC2)cc1,CHEMBL59517,5.23
+c1ccc(N2CCN(CCCc3ccc4ccccc4c3)CC2)cc1,CHEMBL112037,8.4
+Clc1ccc(N2CCNCC2)cc1,CHEMBL114478,5.94
+COc1ccccc1N1CCNCC1,CHEMBL9666,4.95
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,5.21
+c1ccc2cc(N3CCNCC3)ccc2c1,CHEMBL278509,6.26
+c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1,CHEMBL111896,8.17
+COc1ccccc1C1(O)CCNCC1,CHEMBL334036,4.85
+CCCN1CCN(c2ccccc2)CC1,CHEMBL114510,7.13
+CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL102999,6.305
+Clc1ccc(CCN2CCC[C@H]2CN2CCCC2)cc1Cl,CHEMBL337818,8.76
+CCN1CCCC1CN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL342223,8.83
+Clc1cc2c(cc1Cl)CN(CCN1CCCC1)CC2,CHEMBL134313,8.87
+Clc1ccc(CCN2CCCCC(N3CCCC3)C2)cc1Cl,CHEMBL136981,8.57
+Clc1ccc(CCN2CCCC(N3CCCC3)C2)cc1Cl,CHEMBL137794,8.45
+CCN1CCCC1CNCCc1ccc(Cl)c(Cl)c1,CHEMBL138123,7.79
+Clc1ccc(CCN2CCC[C@@H]2CN2CCCC2)cc1Cl,CHEMBL343790,8.36
+CN1CCCC(N(C)CCc2ccc(Cl)c(Cl)c2)C1,CHEMBL137348,8.64
+CN(CCc1ccc(Cl)c(Cl)c1)CC1CCCCN1C,CHEMBL342942,8.43
+Brc1cccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)c1,CHEMBL541347,8.16
+c1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1,CHEMBL538057,7.1
+NC12CC3CC(CC(C3)C1)C2,CHEMBL660,7.69
+Ic1cccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)c1,CHEMBL539310,7.24
+Ic1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1,CHEMBL552794,7.46
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(Br)c1,CHEMBL348313,6.96
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL538300,7.52
+Clc1ccc(CCN[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl,CHEMBL320828,8.62
+Clc1ccc(CCN(CC2CC2)[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl,CHEMBL103519,6.39
+O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL102474,6.84
+Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl,CHEMBL104834,9.31
+CCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL103065,8.51
+CCCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL104992,6.85
+Clc1ccc(CCN(CC2CC2)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl,CHEMBL103849,7.42
+CCCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL316797,7.25
+COc1cccc2c1CCC=C2CCCN1CCN(Cc2ccccc2)CC1,CHEMBL300860,6.86
+c1ccc(C2CCNCC2)cc1,CHEMBL20969,5.7
+c1ccc(CCCCCN2CCC(c3ccccc3)CC2)cc1,CHEMBL112474,9.05
+Clc1ccc(C2=CCN(CCCCc3ccccc3)CC2)cc1,CHEMBL420302,8.39
+c1ccc2sc(C3(N4CCCCCC4)CCCC3)cc2c1,CHEMBL18025,5.54
+NC1(c2cc3ccccc3s2)CCCCCC1,CHEMBL18811,5.04
+c1ccc2sc(C3(N4CCCC4)CCCC3)cc2c1,CHEMBL280329,6.9
+c1ccc2sc(C3(N4CCCCC4)CCCCCC3)cc2c1,CHEMBL428529,5.65
+NC1(c2cc3ccccc3s2)CCCC1,CHEMBL18502,5.76
+c1ccc2sc(C3(N4CCCCCC4)CCCCC3)cc2c1,CHEMBL17945,6.17
+NC1(c2cc3ccccc3s2)CCCCC1,CHEMBL18556,5.5
+c1ccc2sc(C3(N4CCCC4)CCCCC3)cc2c1,CHEMBL18618,6.77
+c1ccc2sc(C3(N4CCCCC4)CCCC3)cc2c1,CHEMBL273326,5.96
+c1ccc2sc(C3(N4CCCC4)CCCCCC3)cc2c1,CHEMBL279873,6.14
+c1ccc2sc(C3(N4CCCCCC4)CCCCCC3)cc2c1,CHEMBL18190,5.57
+c1ccc(C2(N3CCCCC3)CCCCC2)cc1,CHEMBL275528,5.855
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,6.31
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,5.37
+COc1ccc2c(c1)CCC(C1CCN(CCc3ccccc3)CC1)C2=O,CHEMBL330865,7.89
+O=C1c2ccccc2CCC1C1CCN(CC2CC2)CC1,CHEMBL543176,7.59
+O=C1c2ccc(F)cc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL331470,8.4
+O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1,CHEMBL543412,8.0
+O=C1c2ccccc2CCC1C1CCN(Cc2ccccc2)CC1,CHEMBL544594,8.4
+O=C(CCCN1CCC2(CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL553311,7.34
+O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL122761,7.46
+OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL542942,8.36
+COc1ccc2c(c1)CCC(C1CCN(Cc3ccccc3)CC1)C2=O,CHEMBL123014,8.15
+O=C1CCc2ccccc2C12CCN(CCc1ccccc1)CC2,CHEMBL331172,7.89
+c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,CHEMBL303336,8.62
+O=C1c2ccc(Cl)cc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL545058,8.05
+O=C1c2ccccc2CCC12CCN(Cc1ccc(F)cc1)CC2,CHEMBL545285,8.4
+CC(C1CC1)N1CCC(C2CCc3ccccc3C2=O)CC1,CHEMBL542217,7.59
+O=C1c2ccccc2CCC1C1CCN(Cc2ccc(F)cc2)CC1,CHEMBL545287,7.96
+O=C1c2ccccc2CCC12CCN(CC1CCCCC1)CC2,CHEMBL554437,8.7
+O=C1c2ccccc2CCC1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL552572,7.72
+O=C1c2ccc(F)cc2CCC1C1CCN(Cc2ccccc2)CC1,CHEMBL122538,8.05
+CN1CCC2(CCc3ccccc3C2=O)CC1,CHEMBL542946,5.98
+COc1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1,CHEMBL542709,8.52
+Cc1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1,CHEMBL124234,8.1
+O=C1c2ccccc2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL539288,8.0
+O=C1c2ccccc2CCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2,CHEMBL544123,8.72
+OC1CCc2ccccc2C12CCN(CCc1ccccc1)CC2,CHEMBL122758,6.76
+CC(C)(C)c1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1,CHEMBL124411,7.59
+CC(C)(C)c1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1,CHEMBL542462,7.82
+O=C1c2cccc(F)c2CCC1C1CCN(CCc2ccccc2)CC1,CHEMBL543889,8.3
+O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL554873,7.25
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,5.4
+O=c1[nH]c2ccccc2c2ncc(CN3CCN(c4ccccc4Cl)CC3)n12,CHEMBL320068,5.82
+COc1ccccc1N1CCN(Cc2cn3c(=O)[nH]c4ccccc4c3n2)CC1,CHEMBL106186,6.13
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1744044,6.35
+COc1ccccc1N1CCN(Cc2cnc3c4ccccc4[nH]c(=O)n23)CC1,CHEMBL107084,5.19
+c1ccc([C@@]2(N3CCCCC3)CC[C@H]3C[C@H]32)cc1,CHEMBL358455,5.95
+c1ccc([C@]2(N3CCCCC3)CC[C@@H]3C[C@@H]32)cc1,CHEMBL356855,5.14
+c1ccc([C@]2(N3CCCCC3)CC[C@H]3C[C@H]32)cc1,CHEMBL142577,5.35
+c1ccc([C@@]2(N3CCCCC3)C[C@@H]3C[C@@H]3C2)cc1,CHEMBL343429,4.79
+c1ccc([C@]2(N3CCCCC3)C[C@@H]3C[C@@H]3C2)cc1,CHEMBL347761,5.43
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@@H]1C2,CHEMBL2111684,8.03
+C[N+]1(C)CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)C1C2,CHEMBL109160,5.27
+COc1cccc([C@]23CCN(C)[C@H](CC(=O)C2)C3)c1,CHEMBL2111686,6.12
+CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@H]1C2,CHEMBL3350264,5.89
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2,CHEMBL2008608,5.49
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@@H]1C2,CHEMBL2111685,7.525
+COc1cccc(C23CCN(C)C(C2)/C(=C\c2ccccc2)C(=O)C3)c1,CHEMBL109124,6.853
+COc1cccc(C23CCN(C)C(CC(=O)C2)C3)c1,CHEMBL322329,5.28
+C1=C(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc2CC1,CHEMBL50029,7.18
+COc1ccc2c(c1)C(CCCN1CCNCC1)CCC2,CHEMBL52790,6.57
+COc1cccc2c1CCCC2CCCNCCNc1ccccc1,CHEMBL431343,6.58
+COc1cccc2c1CCCC2CCCCN1CCN(C2=NCCCC2)CC1,CHEMBL50239,7.33
+COc1cccc2c1CCCC2CCCNCCc1ccccc1,CHEMBL51630,6.8
+c1ccc2c(c1)CCCC2CCCN1CCN(C2=NCCCC2)CC1,CHEMBL300408,7.36
+COc1ccc2c(c1)C(CCCN1CCN(C3=NCCCC3)CC1)CCC2,CHEMBL53938,7.54
+COc1cccc2c1CCCC2CCCNCCCc1ccccc1,CHEMBL52372,6.82
+COc1cccc2c1CCCC2CCCNCCC1CCCc2ccccc21,CHEMBL52849,6.33
+C=CCN1CCC2c3cc(O)ccc3CC1C2C,CHEMBL147585,5.405
+CCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117319,7.37
+CCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117183,7.35
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2,CHEMBL114203,5.17
+CCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114123,7.4
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL114358,7.31
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324505,7.16
+CCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL115998,8.72
+CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL325052,5.96
+CCCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL116643,8.64
+CCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL113703,6.98
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C,CHEMBL115917,4.74
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326548,7.49
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116738,7.46
+CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL326103,4.78
+CCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL114163,8.55
+CCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL117321,7.92
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL117128,5.88
+CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL116354,7.42
+CCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL326571,8.22
+CCCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL117379,6.13
+C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2,CHEMBL326370,5.56
+O=[N+]([O-])c1ccc(OCC2CCN(CC3CC3)CC2)cc1,CHEMBL47251,7.89
+N#Cc1ccc(OCC2CCN(CC3CC3)CC2)cc1,CHEMBL46463,8.0
+CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12,CHEMBL45491,6.055
+COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL370805,5.05
+CCCN1CCC[C@@H](c2cccc(O)c2)C1,CHEMBL7549,6.63
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL86830,7.49
+OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL314424,6.43
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL313179,7.95
+C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCc1ccccc1,CHEMBL86477,6.98
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1,CHEMBL314433,6.86
+C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1C,CHEMBL316444,6.26
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL73234,7.71
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1,CHEMBL433340,6.91
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL316244,7.01
+C[C@@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1,CHEMBL89832,6.22
+Fc1ccc(N(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL330021,7.18
+Fc1ccc(N(CCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL87841,7.88
+O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1,CHEMBL305881,7.33
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)N1,CHEMBL86519,5.35
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL84971,7.53
+C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@@H](C)N1,CHEMBL315846,5.24
+Fc1ccc(N(CCCN2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL315166,5.86
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,7.21
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,5.37
+CC1CCN(C[C@@H](C)Oc2ccc(Cl)cc2)CC1,CHEMBL542392,8.74
+CC1CCN(C[C@@H](C)COc2ccc(Cl)cc2)CC1,CHEMBL543105,8.77
+CC1CCN([C@H](C)COc2ccc(Cl)cc2)CC1,CHEMBL542873,8.93
+CC1CCN(CCCOc2ccc(Cl)cc2)CC1,CHEMBL540289,8.75
+CC1CCN(C[C@H](C)Oc2ccc(Cl)cc2)CC1,CHEMBL545451,7.9
+CC1CCN([C@@H](C)CCOc2ccc(Cl)cc2)CC1,CHEMBL544524,8.57
+CC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1,CHEMBL555790,9.47
+CC1CCN(CCOc2ccc(Cl)cc2)CC1,CHEMBL543821,9.07
+C(/C=C/c1ccc2c(c1)OCO2)=C\CN1CCCCC1,CHEMBL418484,9.07
+CC1CCN(CC[C@H](C)Oc2ccc(Cl)cc2)CC1,CHEMBL543581,8.74
+CC1CCN(C[C@H](C)COc2ccc(Cl)cc2)CC1,CHEMBL539776,8.96
+CC1CCN(CC[C@@H](C)Oc2ccc(Cl)cc2)CC1,CHEMBL555090,8.85
+CC1CCN([C@H](C)CCOc2ccc(Cl)cc2)CC1,CHEMBL545691,8.66
+COc1cccc(/C=C2/C(=O)CC3(c4cccc(O)c4)CCN(C)C2C3)c1,CHEMBL145296,8.187000000000001
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(I)c3)C1C2,CHEMBL356639,8.79
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/C3CC3)C1C2,CHEMBL358527,7.21
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(I)cc3)C1C2,CHEMBL145422,8.77
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc4ccccc4c3)C1C2,CHEMBL145780,7.78
+COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,CHEMBL52440,6.46
+CNCC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12,CHEMBL298778,6.34
+COc1ccc2c(c1)[C@]1(CCN(C)C)CCCC[C@@H]1C=C2,CHEMBL545668,6.61
+COc1ccc2c(c1)[C@]1(CCN(C)CCO)CCCC[C@@H]1C=C2,CHEMBL298997,6.79
+CN(CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc12)CC(=O)OC(C)(C)C,CHEMBL53070,7.85
+C=CCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12,CHEMBL542123,7.31
+COCCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12,CHEMBL542368,7.31
+CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc12)CC(=O)OC(C)(C)C,CHEMBL301772,6.94
+COc1ccc2c(c1)[C@]1(CCN(C)CCOCc3ccccc3)CCCC[C@@H]1C=C2,CHEMBL545669,6.62
+CCN(CC)CCCCC(c1ccccc1)c1ccccc1,CHEMBL305461,8.85
+CN1CCN(CCCCc2ccccc2)CC1,CHEMBL71616,7.7
+CC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1,CHEMBL71883,8.96
+CN1CCN(CC/C=C\c2ccccc2)CC1,CHEMBL72061,7.54
+CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1,CHEMBL71773,7.92
+CN1CCN(CC/C=C/c2ccccc2)CC1,CHEMBL68905,7.54
+C(CCCNCCc1ccccc1)=C(c1ccccc1)c1ccccc1,CHEMBL304283,8.89
+CC1CCN(CCC=C(c2ccccc2)c2ccccc2)CC1,CHEMBL72045,8.72
+CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1,CHEMBL302087,10.05
+CC1CCN(CCCCCc2ccccc2)CC1,CHEMBL304079,10.15
+CC1CCN(CCCC=C(c2ccccc2)c2ccccc2)CC1,CHEMBL67808,9.89
+CC1CCN(CCC=C2c3ccccc3Sc3ccccc32)CC1,CHEMBL305218,9.1
+CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1,CHEMBL69256,9.32
+c1ccc(CCNCCCCC(c2ccccc2)c2ccccc2)cc1,CHEMBL303263,9.18
+CN(CCCC=C(c1ccccc1)c1ccccc1)CCc1ccccc1,CHEMBL71155,9.05
+CC1C2Cc3ccc(NS(C)(=O)=O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL317354,7.98
+CC1C2Cc3ccc(I)cc3C1(C)CCN2Cc1ccccc1,CHEMBL100789,6.88
+CC(C)CCN1CCC2(C)c3cc(F)ccc3CC1C2C,CHEMBL103156,8.33
+C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,CHEMBL257661,5.68
+CC(=O)Nc1ccc2c(c1)C1(C)CCN(Cc3ccccc3)C(C2)C1C,CHEMBL419343,8.25
+CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1,CHEMBL102406,8.83
+CC1C2Cc3ccc(N(C)C)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103816,8.76
+CC1C2Cc3ccccc3C1(C)CCN2C,CHEMBL101732,6.32
+C=CCN1CCC2(C)c3ccccc3CC1C2C,CHEMBL318823,7.08
+CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1,CHEMBL99854,7.73
+CC1C2Cc3cc(Br)c(O)c(Br)c3C1(C)CCN2Cc1ccccc1,CHEMBL328608,7.15
+CC1C2Cc3cc(Cl)c(O)c(Cl)c3C1(C)CCN2Cc1ccccc1,CHEMBL103662,7.15
+CC(C)=CCN1CCC2(C)c3c(ccc(O)c3Br)CC1C2C,CHEMBL103458,8.6
+CC1C2Cc3cc(Br)c(O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103715,7.16
+CC1C2Cc3cc(I)c(O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103707,6.64
+CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1,CHEMBL100463,8.76
+CC(C)=CCN1CCC2(C)c3c(cc(Br)c(O)c3Br)CC1C2C,CHEMBL102847,6.92
+CC(C)=CCN1CCC2(C)c3c(ccc(O)c3Cl)CC1C2C,CHEMBL318954,8.58
+CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1,CHEMBL103455,8.76
+CN1CCC=C(c2nsnc2SCCCF)C1,CHEMBL2112939,7.21
+CN1CCC=C(c2nsnc2SCCF)C1,CHEMBL2112938,7.66
+CCCSc1nsnc1C1=CCN(C)CC1,CHEMBL167932,7.73
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C(F)(F)F)cc1,CHEMBL154502,7.69
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(I)cc1,CHEMBL348046,7.78
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(I)c([N+](=O)[O-])c1,CHEMBL154231,6.41
+COc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1,CHEMBL153193,8.54
+Cc1ccccc1CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C,CHEMBL152072,7.89
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(N)cc1,CHEMBL346340,7.78
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1F,CHEMBL154039,8.84
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(F)cc1,CHEMBL157335,9.01
+Cc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1,CHEMBL157390,8.68
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1cccc(I)c1,CHEMBL152140,7.57
+CC(=O)Nc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1,CHEMBL350230,7.33
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Cl)cc1,CHEMBL346456,8.63
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Br)cc1,CHEMBL152652,8.51
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1I,CHEMBL154446,6.03
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(N(C)C)cc1,CHEMBL153831,6.99
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc([N+](=O)[O-])cc1,CHEMBL154452,8.66
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C#N)cc1,CHEMBL153341,8.82
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C(C)(C)C)cc1,CHEMBL152847,5.97
+Clc1ccccc1CN1CCN(Cc2ccccc2)CC1,CHEMBL349288,8.28
+c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL162522,8.24
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Cl)c1,CHEMBL422020,8.12
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,CHEMBL162807,9.24
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL162422,8.85
+COc1cccc(CN2CCN(Cc3ccccc3)CC2)c1,CHEMBL165848,9.41
+COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL163876,9.33
+Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1,CHEMBL164124,9.34
+COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL50465,8.49
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54026,8.92
+COc1c(C(=O)NC2CCN(C3CCCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL53078,8.96
+COc1c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54865,8.24
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL52835,7.24
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL52300,7.23
+COc1c(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54667,8.32
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL298864,7.02
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL54571,8.6
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL298759,8.4
+COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL53778,8.44
+COc1c(C(=O)NC2CCN(C3C4CCCC3CCC4)CC2)cc(Br)c2ccccc12,CHEMBL53401,8.72
+COc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53650,7.25
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL53218,7.63
+COc1c(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL52588,7.13
+COc1c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL416846,6.4
+COc1c(C(=O)NC2CCN(C3CCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL51856,8.96
+COc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53102,6.64
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL298875,8.23
+COc1c(C(=O)N[C@@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL301302,8.21
+COc1c(C(=O)NC2CCN(C3CCCC3)CC2)cc(Br)c2ccccc12,CHEMBL54092,8.92
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CCCC2CCC3)cc(Br)c2ccccc12,CHEMBL54662,7.78
+COc1c(C(=O)NC[C@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL50517,7.32
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCC2)cc(Br)c2ccccc12,CHEMBL423122,7.16
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL301732,7.9
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(Br)c2ccccc12,CHEMBL50352,6.92
+COc1c(C(=O)N[C@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL52298,7.55
+COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL54027,9.15
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL416481,7.51
+COc1c(C(=O)NC[C@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL301929,6.43
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL53320,8.77
+COc1c(C(=O)N[C@@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL51754,8.21
+COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL51959,8.25
+O=[N+]([O-])c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1,CHEMBL46596,8.92
+N#Cc1ccc(OCC2CCN(C/C=C/I)CC2)cc1,CHEMBL274585,9.17
+O[C@@H](CN1CCC2(CCc3ccccc32)CC1)c1cccc(Br)c1,CHEMBL126019,6.97
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Br)cc1,CHEMBL339281,7.76
+O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc32)CC1,CHEMBL315146,7.68
+O[C@H](Cc1ccc(Br)cc1)CN1CCC2(CCc3ccccc32)CC1,CHEMBL340185,8.07
+O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL127790,6.62
+O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc32)CC1,CHEMBL87414,7.6
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1,CHEMBL127365,6.93
+CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21,CHEMBL405524,6.96
+O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL126762,6.71
+O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc32)CC1,CHEMBL314170,6.55
+OC(Cc1ccc(Br)cc1)CN1C2CCC1CC(c1ccccc1)C2,CHEMBL339863,7.51
+CN1CC2(CCN(C[C@H](O)c3cccc(Br)c3)CC2)c2ccccc21,CHEMBL126257,6.29
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1,CHEMBL127013,6.6
+O=C(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL339712,6.55
+CN1CC2(CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21,CHEMBL127180,6.54
+O[C@H]1CCCC[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL338411,6.42
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,7.47
+O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL125795,6.76
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl,CHEMBL338469,6.52
+O=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1,CHEMBL341139,8.74
+CN1CC2(CCN([C@@H]3CN(Cc4cccc(I)c4)CC[C@H]3O)CC2)c2ccccc21,CHEMBL340815,6.91
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1,CHEMBL126742,7.39
+CN1CC2(CCN(C[C@H](O)Cc3ccc(Br)cc3)CC2)c2ccccc21,CHEMBL338140,6.72
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1Br,CHEMBL337929,7.02
+N=C(N)N(CCCCCCCCN1CCCC1)Cc1ccc(Cl)cc1,CHEMBL307850,6.34
+N=C(NCCCN1CCCC1)NCCc1ccc(Cl)cc1,CHEMBL311578,7.15
+N=C(NCCCCCN1CCCCCCC1)NCC12CC3CC(CC(C3)C1)C2,CHEMBL76944,8.02
+N=C(NCCCCCN1CCCC1)NCc1ccc(Cl)cc1,CHEMBL440689,7.05
+N=C(NCCCCN1CCCC1)NCCc1ccc(Cl)cc1,CHEMBL76556,6.47
+N=C(NCCCCN1CCCC1)NCc1ccc(Cl)cc1,CHEMBL80422,6.63
+N=C(N)N(CCCCCN1CCCC1)Cc1ccc(Cl)cc1,CHEMBL75625,6.54
+N=C(NCCCCCN1CCCCCC1)NCC12CC3CC(CC(C3)C1)C2,CHEMBL274490,8.17
+N=C(NCCCCCN1CCCC1)NCC1CCCCC1,CHEMBL308633,8.3
+N=C(N)N(CCCCCCCN1CCCC1)Cc1ccc(Cl)cc1,CHEMBL80582,6.59
+N=C(NCCCCCN1CCCCC1)NCC12CC3CC(CC(C3)C1)C2,CHEMBL78272,8.11
+N=C(N)N(CCCCCCN1CCCC1)Cc1ccc(Cl)cc1,CHEMBL76807,6.29
+N=C(NCCCCCN1CCCC1)NCCc1ccc(Cl)cc1,CHEMBL308085,7.21
+N=C(NCCCCCN1CCCC1)NCC1CCCCCC1,CHEMBL77925,8.24
+N=C(NCCCCCN1CCCC1)NCC12CC3CC(CC(C3)C1)C2,CHEMBL76256,8.19
+N=C(N)N(CCCCN1CCCC1)Cc1ccc(Cl)cc1,CHEMBL76002,6.12
+O=C(Cc1cnc[nH]1)NC1CCN(Cc2ccccc2)CC1,CHEMBL138393,6.6
+O=C(Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1,CHEMBL138894,6.63
+O=C(Cc1ccccc1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1,CHEMBL423917,6.85
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL344186,7.72
+COc1ccc2c(c1)C(CC(=O)NC1CCN(Cc3ccccc3)CC1)CC2=O,CHEMBL138932,6.52
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL341957,8.18
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc(I)cc2)CC1,CHEMBL139735,8.04
+O=C(Cc1cccc(Br)c1)NC1CCN(Cc2cccc(I)c2)CC1,CHEMBL337796,8.46
+O=C(Cc1ccc(I)cc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL344402,7.86
+O=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL137041,7.64
+O=C(Cc1c[nH]c2ccc(Br)cc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL139922,7.28
+O=C(Cc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1,CHEMBL134856,7.21
+O=C(Cc1c[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL341936,7.96
+O=C(Cc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,CHEMBL336037,8.33
+O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL334568,8.92
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1,CHEMBL344023,8.2
+O=C(Cc1cccc(F)c1)NC1CCN(Cc2cccc(I)c2)CC1,CHEMBL136114,8.37
+O=C(Cc1ccncc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL136989,6.53
+O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1,CHEMBL138688,8.41
+O=C(Cc1ccccc1F)NC1CCN(Cc2ccc(I)cc2)CC1,CHEMBL343580,8.38
+O=C(Cc1cccc(F)c1)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL136451,8.26
+O=C(Cc1ccccc1F)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL135083,8.5
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,CHEMBL136231,7.06
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL335953,8.4
+COc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1,CHEMBL442408,6.9
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc3ccccc3c2)CC1,CHEMBL136677,7.62
+O=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL138249,8.14
+O=C(Cc1ccccc1F)NC1CCN(Cc2cccc(I)c2)CC1,CHEMBL343137,7.81
+O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccc(I)cc2)CC1,CHEMBL134855,8.49
+O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL139340,8.94
+O=C(Cc1ccccc1)NC1CCN(Cc2cccc(I)c2)CC1,CHEMBL137675,8.17
+O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2F)CC1,CHEMBL345051,7.99
+O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2I)CC1,CHEMBL343927,6.46
+O=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1,CHEMBL137606,6.57
+O=C(Cc1ccccc1)NC1CCN(Cc2cccc(F)c2)CC1,CHEMBL139629,8.09
+O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccc(I)cc2)CC1,CHEMBL343752,8.75
+O=C(Cc1ccccc1)NC1CCN(CCc2ccccc2)CC1,CHEMBL136275,7.51
+O=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1,CHEMBL344873,6.82
+O=C(Cc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL139156,8.14
+O=C(Cc1cccc(F)c1)NC1CCN(Cc2ccc(I)cc2)CC1,CHEMBL344425,8.65
+O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(I)c2)CC1,CHEMBL138794,8.64
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CC[C@@H]1N1CCCC1,CHEMBL538806,5.0
+COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL350943,5.29
+N#Cc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1,CHEMBL130356,8.0
+Clc1ccc(CCNCCN2CCCC2)cc1Cl,CHEMBL142755,8.95
+CC(CN(C)CCc1ccc(Cl)c(Cl)c1)N(C)C,CHEMBL142297,8.84
+C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL347514,9.21
+CN(CCc1ccccc1)CCN1CCCC1,CHEMBL409984,8.13
+CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1,CHEMBL143089,9.42
+C=CCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL422826,8.86
+CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL143360,8.9
+CN(C)CCNCCc1ccc(Cl)c(Cl)c1,CHEMBL143249,7.7
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCCC1,CHEMBL356688,9.77
+CN(CCc1cccc(Cl)c1)CCN1CCCC1,CHEMBL142596,8.87
+CN(CCc1ccc(Cl)cc1)CCN1CCCC1,CHEMBL358109,8.725
+C[C@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL422834,9.08
+CCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL141945,8.87
+CCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL141501,9.29
+CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL143178,9.14
+CN(CCCN1CCCC1)CCc1ccc(Cl)c(Cl)c1,CHEMBL142336,8.75
+CCCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL141893,7.93
+CN(CCc1ccc2ccccc2c1)CCN1CCCC1,CHEMBL142353,8.68
+CNCCN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL142406,8.24
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCC1,CHEMBL142700,9.59
+CN(CCc1cc(Cl)c(Cl)cc1I)CCN1CCCC1,CHEMBL71049,9.09
+FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL312766,9.175
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCF,CHEMBL2368719,7.27
+FCCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL70861,8.33
+Clc1ccc(CCN2CCN(CCCI)CC2)cc1Cl,CHEMBL420557,8.9
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,6.89
+CN(CCc1ccc(I)cc1)CCN1CCCC1,CHEMBL152426,8.6
+CN(CCN1CCCC1)Cc1cccc(I)c1,CHEMBL356909,8.44
+CN(CCN1CCCC1)Cc1ccccc1I,CHEMBL349793,7.58
+CN(CCc1cccc(F)c1)CCN1CCCC1,CHEMBL152478,8.27
+CN(CCc1ccc(Br)cc1)CCN1CCCC1,CHEMBL346153,8.54
+CN(CCN1CCCC1)Cc1ccc(I)cc1,CHEMBL154397,8.7
+CN(CCc1cccc(Br)c1)CCN1CCCC1,CHEMBL151136,8.37
+CN(CCN1CCCC1)Cc1cccc(Br)c1,CHEMBL152618,8.05
+CN(CCc1ccc(F)cc1)CCN1CCCC1,CHEMBL153758,8.22
+CN(CCc1cccc(I)c1)CCN1CCCC1,CHEMBL152057,8.6
+O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL340211,6.47
+O[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339033,7.49
+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,8.74
+O[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CHEMBL339963,6.74
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,8.66
+c1ccc(CC2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL178650,8.13
+c1ccc(CC2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL178700,7.67
+O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12,CHEMBL179062,6.745
+O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12,CHEMBL426958,6.29
+O=C1c2ccccc2CCCC1CN1CCC(Cc2ccccc2)CC1,CHEMBL179697,7.245
+COc1ccc2c(c1)CCC(CN1CCC(Cc3ccccc3)CC1)C2,CHEMBL179530,7.715
+COc1ccc2c(c1)CC(CN1CCC(Cc3ccccc3)CC1)CC2,CHEMBL178680,7.995
+COc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2,CHEMBL179371,7.28
+c1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1,CHEMBL369091,8.935
+c1ccc(CN2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL359663,7.7
+O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12,CHEMBL178988,8.425
+O=C1c2ccccc2OCC1CN1CCN(Cc2ccccc2)CC1,CHEMBL178600,7.61
+c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL276784,9.08
+c1ccc(CC2CCN(CC3CCc4ccccc4C3)CC2)cc1,CHEMBL180327,8.71
+c1ccc(CC2CCN(CC3CCCc4ccccc4C3)CC2)cc1,CHEMBL179808,7.435
+c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1,CHEMBL179373,8.41
+CCCN1CCC[C@H](c2cccc(O)c2)C1,CHEMBL7393,8.22
+Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1,CHEMBL361085,9.3
+C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,CHEMBL110739,4.45
+CC(C)[C@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1,CHEMBL187615,9.0
+CC(C)[C@@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1,CHEMBL187829,8.4
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,8.01
+C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL113830,8.7
+CCCCN1CCC2(CCCc3ccccc32)CC1,CHEMBL62540,9.22
+CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1,CHEMBL17470,9.3
+OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL370753,9.7
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL305593,8.77
+C=CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL2368401,7.4
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL386630,5.92
+CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1,CHEMBL365842,10.4
+CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL422,7.82
+CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,CHEMBL187709,8.1
+CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL167779,8.3
+O=C(O)c1ccc(CCN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)cc1,CHEMBL189871,6.17
+CC/C(=C(/CC)c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1,CHEMBL190631,8.52
+COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1,CHEMBL28211,7.52
+CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12,CHEMBL626,6.06
+CCCCCCCCCCCCC(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1,CHEMBL363884,9.0
+CCN(C/C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,CHEMBL188476,8.52
+O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,CHEMBL15023,9.08
+CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1,CHEMBL365141,9.0
+COc1ccc2c(c1)[C@@H]1CCCN(Cc3ccccc3)[C@H]1CC2,CHEMBL190422,8.3
+Fc1ccc(C2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1,CHEMBL61539,7.8
+CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1,CHEMBL190883,9.0
+CC[C@H]1C[C@H]2C[C@H]3C4Nc5ccc(OC)cc5C4CCN(C2)C13,CHEMBL607293,5.07
+COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL187892,8.6
+COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,CHEMBL188921,5.965
+N=C(NCc1ccccc1)Nc1nc(-c2cc3ccccc3[nH]2)cs1,CHEMBL345754,4.57
+CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,CHEMBL188044,6.64
+CN(c1nc2ccccc2s1)C1CCN(CCCCOc2ccccc2)C1,CHEMBL363765,8.89
+N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1,CHEMBL365722,8.22
+CC1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,CHEMBL365417,7.09
+CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,CHEMBL372484,6.68
+C[C@H]1CCC2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1,CHEMBL363703,7.13
+CN(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)Cc1ccccc1,CHEMBL365754,8.35
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,6.32
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.74
+C=CCN1CC2C(=O)CCC1CN2Cc1ccc(OC)cc1,CHEMBL492737,5.8
+COc1ccc(CN2CC3CCC(=O)C2CN3Cc2ccccc2)cc1,CHEMBL492736,7.28
+C=CCN1CC2[C@@H](O)CCC1CN2Cc1ccc(OC)cc1,CHEMBL521663,5.65
+COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1,CHEMBL502377,7.92
+c1ccc(CN2CCC3(CCc4ccccc4C3)CC2)cc1,CHEMBL570789,9.36
+O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21,CHEMBL571659,9.68
+O=C1CC(C2CCN(CCc3ccccc3)CC2)Oc2ccccc21,CHEMBL570067,9.96
+c1ccc(CN2CCC3(CC2)OCc2ccccc2O3)cc1,CHEMBL572294,10.01
+c1ccc(CN2CCC3(CC2)OCc2ccccc2S3)cc1,CHEMBL571418,10.05
+O=C1CC(C2CCN(Cc3ccccc3)CC2)Oc2ccccc21,CHEMBL570529,10.18
+c1ccc(CN2CCC(C3CCc4ccccc4S3)CC2)cc1,CHEMBL570795,10.24
+O=C1CC(C2CCN(Cc3ccccc3)CC2)Sc2ccccc21,CHEMBL578825,10.28
+Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1,CHEMBL590615,6.83
+Fc1cccc(CNC23OC4C5C6CC(C7C6C4C72)C53)c1,CHEMBL600053,5.64
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccc(F)c1,CHEMBL602850,7.92
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(F)c1,CHEMBL608560,6.82
+CN(CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)Cc1ccccc1,CHEMBL1089752,8.15
+COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,CHEMBL1632158,6.4
+CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,CHEMBL1672054,5.53
+Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,CHEMBL61479,7.77
+COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CHEMBL12089,6.27
+CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,CHEMBL253376,7.6
+CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,CHEMBL990,5.78
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.23
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,6.03
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,6.36
+CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,CHEMBL1902981,8.77
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.05
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,8.0
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,8.07
+CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,CHEMBL1201353,6.16
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.58
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.85
+CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,CHEMBL248702,6.66
+OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,CHEMBL936,6.97
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.38
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,8.69
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,6.78
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.98
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,6.72
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,7.77
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.24
+CCCCOc1ccc(OCCCN2CCOCC2)cc1,CHEMBL1198,7.29
+Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,CHEMBL490,5.65
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.94
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,6.92
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,5.96
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,CHEMBL75880,5.96
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,6.18
+CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N,CHEMBL1196,7.0
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.32
+CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1400945,5.05
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,5.92
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,6.02
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CHEMBL1231,7.99
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.64
+CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,CHEMBL1201237,6.49
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL1276308,4.96
+CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,CHEMBL60889,6.89
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,6.12
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.12
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,6.58
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,CHEMBL1490,7.35
+CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,CHEMBL2107687,6.7
+CCCCNc1ccc(C(=O)OCCN(C)C)cc1,CHEMBL698,6.15
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,6.82
+CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,CHEMBL822,6.63
+CC(C)NC[C@@H](O)COc1cccc2ccccc12,CHEMBL275742,5.78
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,5.55
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,7.385
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,CHEMBL588119,7.31
+Clc1ccccc1CN1CCc2sccc2C1,CHEMBL833,6.75
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,6.67
+Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,CHEMBL1076211,8.25
+N#Cc1ccc(OCC2CCN(CCCF)CC2)cc1,CHEMBL417001,8.37
+FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1645202,9.23
+O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL129530,7.67
+N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064202,8.35
+c1ccc(CN2CCC3(CC2)OCCc2sccc23)cc1,CHEMBL2064198,8.68
+COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1,CHEMBL2158704,6.41
+Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170062,7.77
+Clc1ccc(-n2ccc(NCCN3CCCCC3)n2)cc1Cl,CHEMBL2170054,8.01
+Clc1ccc(-n2ccc(NCCN3CCOCC3)n2)cc1Cl,CHEMBL2170053,7.405
+O=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170052,7.09
+Cc1cc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170051,7.85
+CC(=O)N1CCN(CCCCOc2cc(C)n(-c3ccc4ccccc4c3)n2)CC1,CHEMBL2170050,6.53
+Cc1cc(OCCCCN2C[C@H](C)O[C@H](C)C2)nn1-c1ccc2ccccc2c1,CHEMBL2170049,7.19
+Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170048,7.0
+CC(=O)N1CCN(CCOc2cc(C)n(-c3ccc4ccccc4c3)n2)CC1,CHEMBL2170046,7.08
+Cc1cc(OCCN2C[C@H](C)O[C@H](C)C2)nn1-c1ccc2ccccc2c1,CHEMBL2170070,7.47
+CCN(CC)CCOc1cc(C)n(-c2ccc3ccccc3c2)n1,CHEMBL2170069,7.33
+Cc1cc(OCCN2CCCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170068,8.0
+Cc1cc(OCCN2CCCCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170067,8.0
+c1cn(C2CCCCC2)nc1OCCN1CCOCC1,CHEMBL2170066,7.64
+Cc1c(OCCN2CCOCC2)nn(-c2ccc3ccccc3c2)c1C,CHEMBL2170064,6.86
+c1ccc2cc(-n3ccc(OCCN4CCOCC4)n3)ccc2c1,CHEMBL2170063,7.48
+Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL2170061,7.36
+Clc1ccc(-n2ccc(OCCN3CCOCC3)n2)cc1,CHEMBL2170060,7.75
+Cc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1,CHEMBL2170059,6.74
+CC(=O)c1c(OCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C,CHEMBL2170056,6.13
+Cc1c(OCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C,CHEMBL2170055,8.03
+CN1CCN(CC(O)COc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL2170210,6.63
+OC(COc1ccn(-c2ccc(Cl)c(Cl)c2)n1)CN1CCOCC1,CHEMBL2170209,6.89
+O=S(=O)(CCN1CCOCC1)OCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170208,6.06
+Clc1ccc(-n2ccc(OCCOCCN3CCCCC3)n2)cc1Cl,CHEMBL2170207,7.43
+COCCN(C)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170206,8.09
+CN(CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1)Cc1ccccc1,CHEMBL2170205,7.62
+CCN(CC)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170204,7.76
+C[C@H]1CN(CCCCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](C)O1,CHEMBL2170203,7.83
+Clc1ccc(-n2ccc(OCCCCN3CCSCC3)n2)cc1Cl,CHEMBL2170076,7.99
+Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl,CHEMBL2170075,7.75
+Cc1cc(OCCCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170074,6.07
+CCN(CC)CCCCOc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170072,7.93
+Cc1cc(OCCCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170071,8.0
+Cc1cc(OCCCCN2CCC(c3ccccc3)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170224,7.59
+Cc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170223,8.15
+Cc1cc(OCCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170222,8.16
+Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170221,7.88
+CN1CCN(CCCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL2170220,7.78
+Clc1ccc(-n2ccc(OCCCN3CCCCC3)n2)cc1Cl,CHEMBL2170219,8.02
+Clc1ccc(-n2ccc(OCCCN3CCOCC3)n2)cc1Cl,CHEMBL2169891,7.79
+Cc1cc(OCCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170218,7.88
+Cc1cc(OCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170217,7.98
+Cc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170216,7.72
+Clc1ccc(-n2nc(OCCN3CCOCC3)cc2-c2ccccc2)cc1Cl,CHEMBL2170215,6.65
+CC(C)c1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170214,6.76
+CC(=O)C1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL2170213,8.14
+CC1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL2170212,8.07
+Clc1ccc(-n2ccc(OCCN3CCCCCC3)n2)cc1Cl,CHEMBL2170211,8.05
+Clc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl,CHEMBL2170239,7.78
+Clc1ccc(-n2ccc(OCCN3CCCC3)n2)cc1Cl,CHEMBL2170238,7.8
+Clc1ccc(-n2ccc(OCCN3CCOCC3)n2)cc1Cl,CHEMBL2170237,8.09
+Cc1cc(OCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170236,6.53
+Cc1cc(OCCNC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170235,8.07
+CCN(CC)CCOc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1,CHEMBL2170234,8.0
+Cc1cc(OCCN2CCN(c3ccccc3)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170233,7.83
+CCOC(=O)N1CCN(CCOc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL2170232,7.36
+Cc1cc(OCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170231,7.95
+Cc1cc(OCCN2CCC(n3cnc4cccnc43)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170230,7.8
+Cc1cc(OCCN2CCC(C)CC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170229,8.08
+Cc1cc(OCCN2CCCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170228,8.03
+Cc1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170227,8.26
+Cc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170226,8.28
+Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL2170225,7.97
+O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL2204343,8.47
+COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,CHEMBL814,7.44
+COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2,CHEMBL2203549,8.68
+O=C(CCCCC1CCSS1)N1CCN(CC2CCCCC2)CC1,CHEMBL2324614,5.9
+CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2,CHEMBL2338343,7.3
+CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2,CHEMBL2338760,7.545
+CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCN(Cc3ccccc3)CC1)N2,CHEMBL2338759,7.82
+CCN1CCC([C@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3OCCC[C@H]32)CC1,CHEMBL2338345,6.5
+CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCNCC1)N2,CHEMBL2338344,6.27
+CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCC1)N2,CHEMBL2338342,6.91
+CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2,CHEMBL2338339,7.17
+CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C(CC)CC)N2,CHEMBL2338338,6.39
+CC(C)CCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2,CHEMBL2338337,6.97
+CCCCCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2,CHEMBL2338779,6.61
+Clc1ccc(Oc2ccc3c(c2)[C@H]2OCC[C@H]2[C@@H](C2CCCCC2)N3)cc1,CHEMBL2338778,6.52
+CCCCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2,CHEMBL2338772,6.75
+Clc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1Cl,CHEMBL2338768,7.1
+Clc1cccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)c1,CHEMBL2338765,6.42
+Clc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1,CHEMBL2338781,6.71
+Clc1ccc(CCN2CCOCC2)cc1Cl,CHEMBL2338780,8.2
+Ic1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2346997,8.56
+COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC,CHEMBL2311153,8.43
+COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,CHEMBL502,7.84
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.23
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,6.39
+Cn1ncc2c1CCCC2CCN1CCC(c2ccccc2)CC1,CHEMBL2436338,8.15
+Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2105667,6.03
+COc1ccc(CN2CC3CCCC2CN3Cc2ccccc2)cc1,CHEMBL3086334,9.04
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.66
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,5.205
+OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1,CHEMBL3104857,7.54
+OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1,CHEMBL3104856,7.47
+c1ccc(N2CCN(CCC3OCCc4c3cnn4-c3ccccc3)CC2)cc1,CHEMBL3220583,8.54
+CN(C)CCC1OCCc2c1cnn2-c1ccccc1,CHEMBL3220582,7.62
+O=C(NC1CCC(N2CCCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218983,5.9
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,CHEMBL3218990,5.9
+O=C(NCCN1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218988,6.2
+CN(C)CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218984,6.4
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCC2)CC1,CHEMBL3218991,6.7
+O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218979,6.767
+C=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL98883,6.8
+CCN(CC)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218980,6.9
+O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1,CHEMBL3218993,7.0
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCCC2)CC1,CHEMBL3218992,7.1
+O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CNCC2CCCCC2)CC1,CHEMBL3218994,7.1
+CC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C,CHEMBL3218981,7.2
+O=C(NCCN1CCCC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218982,7.2
+O=C(NCCN1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218987,7.6
+O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218989,7.6
+O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218985,7.8
+O=C(NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3218986,8.0
+COc1ccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1OC,CHEMBL1927694,4.99
+Fc1ccccc1N1CCN(CCCn2ccc3ccccc32)CC1,CHEMBL3235107,5.83
+CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21,CHEMBL64683,8.89
+O=S(=O)(c1ccccc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21,CHEMBL3235106,8.0
+Fc1ccc(C2=CC3CCC(C2)N3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1,CHEMBL62994,5.92
+CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(O)c3)[C@H]1C2,CHEMBL3235466,5.51
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+c1ccc2c(c1)CN(CCCN1CCc3c([nH]c4ccccc34)C1)C2,CHEMBL3360569,8.1
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+CN(CCCN1c2ccccc2Oc2ccccc21)CCc1ccccc1,CHEMBL3360565,7.74
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+CN(CCCN1CCc2[nH]c3ccccc3c2C1)CCc1ccccc1,CHEMBL3360563,7.96
+CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)CCc1ccccc1,CHEMBL3360562,7.96
+CN(CCCN1CCc2c([nH]c3ccccc23)C1)CCc1ccccc1,CHEMBL3360561,8.14
+CN(CCCn1c(=O)oc2cc3c(cc21)C(c1ccc(Cl)cc1)CC3=O)Cc1ccccc1,CHEMBL3360560,6.8
+CN(CCCn1c(=O)oc2cc3c(cc21)C(c1ccccc1)CC3=O)Cc1ccccc1,CHEMBL3360559,7.14
+CN(CCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1,CHEMBL3360558,7.55
+CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1,CHEMBL3360556,8.7
+CN(CCCN1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1,CHEMBL3360555,7.74
+CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)Cc1ccccc1,CHEMBL3360554,8.37
+CN(CCCN1CCc2c([nH]c3ccccc23)C1)Cc1ccccc1,CHEMBL3360553,8.21
+O=C1C2Cc3ccccc3CN2C(=O)N1CCCN1Cc2ccccc2C1,CHEMBL3360552,8.28
+Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1,CHEMBL3407810,6.7
+O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCCN1Cc2ccccc2C1,CHEMBL3409372,8.28
+CN(CCCn1c(=O)oc2ccc(Br)cc21)Cc1ccccc1,CHEMBL3409373,8.92
+CN(CCCn1c(=O)oc2cc(Br)ccc21)Cc1ccccc1,CHEMBL3409374,9.05
+CN(CCCn1c(=O)oc2ccc(Cl)cc21)Cc1ccccc1,CHEMBL3409375,8.19
+CN(CCCn1c(=O)sc2ccccc21)Cc1ccccc1,CHEMBL3409376,7.99
+CN(CCCn1c(=O)sc2ccc(Br)cc21)Cc1ccccc1,CHEMBL3409377,8.51
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+Clc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1Cl,CHEMBL3417042,8.3
+Clc1ccc(-n2cc(NCCN3CCCCC3)nn2)c(Cl)c1,CHEMBL3417043,7.51
+Clc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1,CHEMBL3417044,7.21
+Fc1cccc(-n2cc(NCCN3CCCCC3)nn2)c1,CHEMBL3417045,7.24
+Fc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1,CHEMBL3417046,6.84
+Fc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1F,CHEMBL3417047,7.51
+Fc1ccc(-n2cc(NCCN3CCCCC3)nn2)c(F)c1,CHEMBL3417048,6.56
+Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl,CHEMBL3417049,7.34
+Fc1cccc(-n2cc(NCCN3CCOCC3)nn2)c1,CHEMBL3417050,6.11
+Fc1cccc(-n2cc(NCCN3CCCCCC3)nn2)c1,CHEMBL3417052,7.92
+Fc1cccc(-n2cc(NCCN3CCN(C4CCCCC4)CC3)nn2)c1,CHEMBL3417053,7.25
+Fc1cccc(-n2cc(NCCN3CCCOCC3)nn2)c1,CHEMBL3417054,7.44
+Fc1ccc(-n2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F,CHEMBL3417055,7.15
+CC(=O)N1CCN(CCNc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1,CHEMBL3417056,6.56
+c1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1,CHEMBL3417057,7.31
+Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl,CHEMBL3417058,8.0
+Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1,CHEMBL3417059,7.28
+Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1,CHEMBL3417060,7.46
+Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F,CHEMBL3417061,7.48
+Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl,CHEMBL3417063,7.21
+Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1,CHEMBL3417064,6.18
+Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1F,CHEMBL3417065,6.06
+Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl,CHEMBL3417066,8.05
+c1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1,CHEMBL3417067,7.64
+Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl,CHEMBL3417068,7.89
+Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F,CHEMBL3417069,7.34
+Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1,CHEMBL3417070,6.98
+C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1,CHEMBL3417071,7.0
+CCN(CC)CCNc1cn(Cc2ccccc2)nn1,CHEMBL3417072,6.15
+CN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1,CHEMBL3417073,5.02
+CC(=O)N1CCN(CCNc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1,CHEMBL3417074,6.09
+Clc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1Cl,CHEMBL3417075,6.29
+Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl,CHEMBL3417076,6.71
+c1c(NCCN2CCOCC2)nnn1C12CC3CC(CC(C3)C1)C2,CHEMBL3417078,7.01
+CCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1,CHEMBL3417079,6.67
+CCCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1,CHEMBL3417080,6.35
+CCN(CCN1CCOCC1)c1cn(C23CC4CC(CC(C4)C2)C3)nn1,CHEMBL3417081,6.95
+CC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1,CHEMBL3417082,6.41
+CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1,CHEMBL3417083,6.34
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+C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL319706,6.9
+OC1CN(CCCCc2ccccc2)CCc2ccccc21,CHEMBL3753409,6.17
+OC1CN(CCCc2ccccc2)CCc2ccccc21,CHEMBL3752293,5.66
+OC1CN(Cc2ccccc2)CCc2ccccc21,CHEMBL3752701,7.51
+Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,CHEMBL1289626,6.71
+COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2,CHEMBL3780481,6.97
+COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2,CHEMBL595489,6.57
+COc1cc2c(cc1O)C1Cc3ccc(OCC4CC4)c(OC)c3CN1CC2,CHEMBL3780184,7.92
+COc1cc2c(cc1O)C1Cc3ccc(OCCCO)c(OC)c3CN1CC2,CHEMBL3780268,7.28
+CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781035,7.43
+CCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780140,6.92
+CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3781840,7.89
+CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3780506,7.24
+CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,CHEMBL3779928,6.91
+COc1cc2c(cc1O)C(C)N(Cc1cccc(O)c1OC)CC2,CHEMBL3780975,6.89
+COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O,CHEMBL3780438,6.91
+CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC,CHEMBL3780812,6.46
+O[C@@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819146,8.66
+O[C@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819463,8.19
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3818546,7.62
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3819457,7.57
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3818045,7.14
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3819588,7.57
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12,CHEMBL3817940,8.22
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12,CHEMBL3819557,7.42
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12,CHEMBL3818112,8.14
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12,CHEMBL3818532,7.89
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL3819489,8.8
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL3819331,8.55
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819437,8.62
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819395,8.49
diff --git a/chembl_200/CHEMBL2954.csv b/chembl_200/CHEMBL2954.csv
new file mode 100644
index 0000000000000000000000000000000000000000..85c03aab0192b0fdb9272d0efa2fdfc55cf3fac1
--- /dev/null
+++ b/chembl_200/CHEMBL2954.csv
@@ -0,0 +1,522 @@
+CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL3142429,5.42
+CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)CN,CHEMBL555920,5.4
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1,CHEMBL184514,5.77
+COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1,CHEMBL64765,7.197
+CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL98540,6.74
+CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL99561,6.09
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1,CHEMBL100428,6.35
+CCC(C)[C@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97402,7.06
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97493,6.73
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(CN)cc1)C(C)CC)C(=O)CO,CHEMBL96987,6.34
+COCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL100095,5.71
+CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL100482,7.34
+CCOCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL327290,5.35
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(C)CC)C(=O)CO,CHEMBL99288,6.96
+O=C(NC1(C(=O)N[C@@H]2C(=O)N[C@@H]2Oc2ccccc2)CCCCC1)OCc1ccccc1,CHEMBL64245,4.28
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL292513,8.04
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL64098,6.89
+O=C(NC1(C(=O)N[C@@H]2C(=O)N[C@H]2Oc2ccccc2)CCCCC1)OCc1ccccc1,CHEMBL64612,4.48
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL65990,4.96
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1CCCCN1C(=O)OCc1ccccc1,CHEMBL62923,4.7
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1,CHEMBL62453,4.55
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1,CHEMBL62655,6.02
+CC(C)C[C@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1,CHEMBL113805,6.04
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O,CHEMBL162631,6.28
+CC(C)C[C@@H](C(=O)NC1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O)N(C)C(=O)OCc1ccccc1,CHEMBL423995,7.29
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O,CHEMBL61805,6.51
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,CHEMBL100563,7.05
+CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O,CHEMBL62239,5.96
+CC(=O)N1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1,CHEMBL349445,6.32
+CN[C@@H](CC(C)C)C(=O)N1CC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1,CHEMBL2371402,6.54
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,CHEMBL118449,8.1
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+O=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)NN1CCOCC1,CHEMBL3142835,7.96
+O=C(NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccc2ccccc2c1)NN1CCOCC1,CHEMBL3142836,8.74
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+CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1=O,CHEMBL284939,7.965
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL281540,6.05
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1,CHEMBL31545,7.7
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+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(OC4CCNCC4)n3)cc2)CCCCC1,CHEMBL200744,4.17
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCOCC4)n3)cc2)CCCCC1,CHEMBL199358,4.89
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+C[C@@H](CN1C(=O)Cc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL383119,4.91
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL381186,8.52
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+C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL380832,7.59
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+O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL204791,7.72
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+O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cc(F)ccc2o1,CHEMBL206934,6.71
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+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2ccc(N(C)C)cc2)o1,CHEMBL210523,4.55
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2ccccc2OC)o1,CHEMBL378780,4.72
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2cccs2)o1,CHEMBL210315,4.92
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccccc2)o1,CHEMBL211050,4.35
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(OC)c2)o1,CHEMBL376994,5.0
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(OC)cc2)o1,CHEMBL210198,4.7
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1,CHEMBL208577,4.89
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL208566,5.48
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1,CHEMBL209181,4.77
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)C)o1,CHEMBL210535,6.1
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+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(OC)o1,CHEMBL379622,6.49
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccs2)o1,CHEMBL209114,6.12
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209215,6.46
+CCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209216,6.02
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL379157,6.85
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209293,6.15
+CCC[C@H](NC(=O)Cc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209294,5.04
+CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210712,5.59
+CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210759,5.7
+CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210702,6.42
+CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210625,6.62
+CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL378899,6.52
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C)CC4)n3)c2)c1,CHEMBL213930,5.74
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)c1,CHEMBL212907,5.25
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)c1,CHEMBL211737,5.02
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C(C)(C)C)CC4)n3)c2)c1,CHEMBL212879,5.25
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(CN4CCNCC4)n3)c2)c1,CHEMBL213194,5.13
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCC(N(C)C)C4)n3)c2)c1,CHEMBL213244,5.44
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL217818,6.65
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(S(C)(=O)=O)CC1,CHEMBL215198,5.97
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+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1,CHEMBL424891,6.37
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1,CHEMBL385719,7.64
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCCC1,CHEMBL425079,7.41
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1,CHEMBL214757,7.25
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCC1,CHEMBL444645,6.66
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N(C)C,CHEMBL424904,6.64
+COCCN(C)C(=O)[C@H](CC1CCCCC1)OC(=O)N[C@@H](C)CN1CC(C)(C)c2cc(F)ccc21,CHEMBL214626,6.76
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C)O[C@H](C)C1,CHEMBL213712,6.53
+C[C@@H](CN1CC2(CC2)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL424718,6.91
+CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc21,CHEMBL214328,7.72
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL424894,7.72
+C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214431,7.1
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1,CHEMBL217136,5.98
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1,CHEMBL386382,4.9
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL383968,7.74
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214982,8.1
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL386351,7.8
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214327,7.0
+O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214591,8.1
+O=C(N[C@@H](CO)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL386640,6.84
+O=C(NCCN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL213716,5.53
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL385912,7.96
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL384856,7.96
+C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL386664,6.95
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL213610,7.06
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1,CHEMBL212604,7.49
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1,CHEMBL215218,7.92
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1,CHEMBL385534,7.31
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1,CHEMBL215599,7.03
+CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1,CHEMBL214598,6.66
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1,CHEMBL386797,4.94
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215378,7.0
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+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1,CHEMBL214897,7.28
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1,CHEMBL214654,7.74
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)C1CCOC1,CHEMBL386293,6.67
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1,CHEMBL215403,6.18
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccoc1,CHEMBL215402,8.22
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccco1,CHEMBL217496,7.33
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1,CHEMBL386383,7.77
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(F)c2)o1,CHEMBL214905,7.47
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215869,7.96
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1,CHEMBL386912,5.92
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCC(C)CC2)nn1,CHEMBL3085035,7.82
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1,CHEMBL387191,7.74
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccccc2)C2CCCCC2)nn1,CHEMBL385857,6.7
+CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C(C)C)nn1,CHEMBL385571,6.38
+O=CCOc1ccccc1-c1ccc(F)c(F)c1F,CHEMBL387619,6.31
+CC(C)Cc1ccc(-c2ccccc2OCC=O)c(F)c1F,CHEMBL390945,8.02
+CCCc1ccc(-c2ccccc2OCC=O)c(F)c1F,CHEMBL390726,7.31
+CCCC[C@@H](C=O)n1cc([C@@](C)(NC(=O)c2ccsc2)C(C)C)nn1,CHEMBL227896,9.05
+O=C(NCCNc1ccc(F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240615,5.86
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1,CHEMBL394207,4.81
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)C1CC1)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1,CHEMBL240444,6.21
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1,CHEMBL394206,5.8
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1,CHEMBL393151,4.73
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1,CHEMBL239369,7.37
+Cc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1,CHEMBL239368,6.87
+COc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1,CHEMBL238948,6.98
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1,CHEMBL238748,7.68
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1,CHEMBL391094,7.62
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL240831,7.6
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241491,6.58
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241489,7.43
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241311,7.85
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241309,7.57
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL240235,7.22
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1,CHEMBL238963,7.15
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C,CHEMBL238962,6.39
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1,CHEMBL241274,6.7
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1,CHEMBL392972,7.96
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1,CHEMBL391468,7.02
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL392302,7.92
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL241096,7.42
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL241095,7.51
+CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240017,7.16
+CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL241467,8.3
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL439204,7.21
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL392682,6.71
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239580,7.74
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL428390,7.96
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240443,7.89
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239786,7.8
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239784,7.55
+O=C(C[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)NCCNc1ccc(F)cc1,CHEMBL240617,5.76
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1,CHEMBL446718,7.4
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(C(C)(C)C)ccc2o1,CHEMBL257692,7.52
+CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272374,6.42
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL411498,5.7
+CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272375,4.59
+CC(=O)N1CCN(c2ccc(OCc3cc4cnc(C#N)nc4n3CCC3CCC(F)(F)CC3)cc2)CC1,CHEMBL461619,8.4
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ncc(C)s2)cc1,CHEMBL481986,8.07
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1,CHEMBL474458,9.15
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C(C)C)cs2)cc1,CHEMBL474257,8.24
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C)cs2)cc1,CHEMBL481433,7.89
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nccn2C)cc1,CHEMBL519136,8.35
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CHEMBL482218,8.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1,CHEMBL515251,8.23
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1,CHEMBL473448,9.05
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccn2)cc1,CHEMBL480836,8.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1,CHEMBL480638,8.68
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccncc2)cc1,CHEMBL481424,8.57
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1,CHEMBL514299,9.1
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1,CHEMBL515769,9.22
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL514195,8.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1,CHEMBL475669,9.0
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL475269,8.48
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL475268,8.89
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1,CHEMBL475063,8.41
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,CHEMBL515588,8.42
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1,CHEMBL474865,8.47
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL474664,8.7
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)nc1,CHEMBL519763,7.2
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1,CHEMBL517082,7.25
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1,CHEMBL474059,7.92
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1,CHEMBL473654,8.4
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C(C)=O)c1,CHEMBL481227,7.24
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL481034,7.8
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1,CHEMBL519135,8.25
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1C,CHEMBL516749,7.52
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1,CHEMBL479461,8.31
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1OC,CHEMBL479460,6.48
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(OC)c1,CHEMBL480634,7.59
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL475062,7.51
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL482388,9.1
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1,CHEMBL521115,8.28
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CCCCC2)cc1,CHEMBL482191,6.74
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1,CHEMBL479831,8.62
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1,CHEMBL482348,8.54
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL519633,8.08
+CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CC2(C)CCCC2)C(=O)N[C@@H]2C(=O)CO[C@H]2CC)cc1,CHEMBL519115,8.47
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1,CHEMBL480381,8.72
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(S(=O)(=O)NC)c1,CHEMBL482168,6.72
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(S(=O)(=O)NC)cc1,CHEMBL482167,6.85
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CHEMBL482166,6.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(NS(C)(=O)=O)c1,CHEMBL481503,7.92
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1,CHEMBL471972,8.59
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1,CHEMBL512367,7.51
+CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL514348,8.26
+CN(C#N)N(C)C(=O)CNC(=O)OCc1ccccc1,CHEMBL1651240,6.1
+C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651241,8.04
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651242,8.82
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL608115,9.48
+CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL604281,9.29
+CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651351,9.08
+CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1,CHEMBL1651352,9.7
+CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1,CHEMBL1651353,9.07
+CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651354,9.7
+CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651355,9.8
+Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651356,9.77
+CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651357,9.8
+Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651349,9.72
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651350,9.49
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651358,6.74
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651359,6.85
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651361,9.82
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1,CHEMBL1651362,6.85
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL2153161,9.26
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccccc1)C(=O)NCC#N,CHEMBL2153162,7.4
+CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N,CHEMBL2153163,7.35
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)NCC#N,CHEMBL2153164,7.21
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc(-c2ccccc2)cs1)C(=O)NCC#N,CHEMBL2153165,7.22
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2ccsc2)s1)C(=O)NCC#N,CHEMBL2153166,7.21
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)NCC#N,CHEMBL2153167,7.12
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)NCC#N,CHEMBL2153168,6.7
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2cccs2)s1)C(=O)NCC#N,CHEMBL2153169,7.03
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N,CHEMBL2153170,7.05
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N,CHEMBL2153171,7.0
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N,CHEMBL2153172,7.48
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N(C)N(C)C#N)CCCCC3)c(=O)oc2c1,CHEMBL2203962,6.12
+CN(C)c1cccc2c(S(=O)(=O)NC3(C(=O)NCC#N)CCCCC3)cccc12,CHEMBL2203960,5.18
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)NCC#N)CCCCC3)c(=O)oc2c1,CHEMBL2203961,5.08
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381988,4.25
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382083,4.39
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccs2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382005,4.55
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382080,4.7
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2382081,4.92
+N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2382082,5.07
+CN(C(=O)OC(C)(C)C)N(C#N)CC(=O)N1CCOCC1,CHEMBL3342186,6.1
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1,CHEMBL3342185,9.89
+CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C,CHEMBL3342184,9.75
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N1CCOCC1,CHEMBL3342183,9.11
+CCC(CC)C(=O)Nc1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1F,CHEMBL3605408,5.4
+N#CCNC(=O)C1(NC(=O)c2ccc(N)c(F)c2)CCCCC1,CHEMBL3605413,5.3
+N#CCNC(=O)C1(NC(=O)c2ccc(NC(=O)N3CCCCC3)c(F)c2)CCCCC1,CHEMBL3605414,6.0
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661024,4.6
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661025,4.68
+CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661027,4.84
+C#C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661028,5.54
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648411,8.77
+O=C(N[C@H](C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648412,7.49
+C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648400,7.55
+CC1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648399,7.14
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648413,7.82
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648397,7.23
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648406,7.1
+C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648402,7.12
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648405,8.44
+C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648401,8.3
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648409,7.26
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648414,9.4
+O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1,CHEMBL3648415,6.26
+O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1,CHEMBL3648395,6.26
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648398,8.07
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648408,8.66
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648407,7.62
+O=C(N[C@H](C(=O)N1CC[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648403,6.77
+O=C(N[C@H](C(=O)N1CC[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648396,6.65
+CC1(C)CCC([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648410,7.92
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648404,7.3
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640731,8.49
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640728,9.3
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(C#N)CC1,CHEMBL3640712,7.8
+CN1CCC(C#N)(NC(=O)[C@H](CC(C)(F)F)NC(=O)N2CCC3(CC2)CC3)CC1,CHEMBL3640729,7.57
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(C#N)CC1,CHEMBL3640711,7.62
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCc3ccccc32)C1)C(=O)NC1(C#N)CC1,CHEMBL3640721,8.05
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)C(=O)NC1(C#N)CC1,CHEMBL3640720,7.72
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640719,8.15
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCC(C)(C)O2)C(=O)NC1(C#N)CC1,CHEMBL3640718,7.66
+CC(F)(F)C[C@H](NC(=O)N1CCOC12CCCCC2)C(=O)NC1(C#N)CC1,CHEMBL3640722,8.05
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CC3)CC1,CHEMBL3640716,9.52
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640715,8.3
+CC(C)C[C@H](NC(=O)C1CCC2(CC1)OCCO2)C(=O)NC1(C#N)CC1,CHEMBL3640730,6.82
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)NC1(C#N)CC1,CHEMBL3640710,7.96
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCO2)C(=O)NC1(C#N)CC1,CHEMBL3640709,7.89
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640726,8.7
+N#CC1(NC(=O)C2(NC(=O)N3CCC4(CCCC4)CC3)CCCCC2)CC1,CHEMBL3640713,7.28
+CC(F)(F)C[C@H](NS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640717,7.8
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(c1ccc(OC)cc1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640725,8.7
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640724,8.05
+CC(F)(F)C[C@H](NC(=O)N1CC2(CCN(C3CC3)CC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640723,8.1
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CCN(C2CC2)CC3)CC1,CHEMBL3640727,9.0
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640708,8.7
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640714,8.14
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3806231,5.35
+N#CCNC(=O)[C@H](Cc1cccc(-c2ccccc2)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3804975,5.58
+N#CCNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805662,6.75
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805807,6.74
+N#C[C@H](Cc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805560,5.37
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805261,5.74
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805093,6.45
+COC(=O)Cn1cc(COC[C@@H](C#N)NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(-c3ccccc3)cc2)nn1,CHEMBL3805885,6.73
+N#C[C@H](CCOCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805060,6.31
+N#C[C@H](CCOCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805078,6.0
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3804928,5.65
diff --git a/chembl_200/CHEMBL2971.csv b/chembl_200/CHEMBL2971.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d34c1ddc02ad793763d2c64b06ece6040cc0ac42
--- /dev/null
+++ b/chembl_200/CHEMBL2971.csv
@@ -0,0 +1,547 @@
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,8.6
+C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,CHEMBL221959,9.112
+O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL494221,5.62
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.6
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.8
+NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O,CHEMBL257167,8.3
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.0
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.0
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,5.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.0
+c1ccc(-c2ncnc3[nH]ccc23)cc1,CHEMBL578974,6.315
+Clc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL583105,6.59
+CCN(CC)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,CHEMBL1204012,8.15
+CCC1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL592520,5.77
+CC(C)CC1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL604274,5.47
+CC(C)C1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL603432,5.7
+CC(C)(C)C1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL595396,5.68
+COC(=O)CC1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL595397,6.34
+c1ccc2c(c1)NCc1c[nH]c3nccc-2c13,CHEMBL595305,6.12
+c1ccc2c(c1)NC(C1CCCCC1)c1c[nH]c3nccc-2c13,CHEMBL604481,5.54
+c1ccc(COCC2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL595626,5.74
+c1ccc(CC2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL604695,6.0
+OCCCCC1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL594686,5.62
+OCCCC1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL608999,5.62
+c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL594687,6.43
+Fc1ccccc1C1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL606355,6.66
+Fc1cccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1,CHEMBL601303,6.7
+Fc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL601925,6.31
+Fc1cccc(F)c1C1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL601718,6.89
+Fc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1,CHEMBL590854,6.68
+Fc1ccc(F)c(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1F,CHEMBL600562,7.25
+Fc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1F,CHEMBL600874,6.55
+Oc1ccccc1C1Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL591095,5.96
+Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL600875,8.8
+Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F,CHEMBL591096,9.3
+Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1,CHEMBL602183,9.22
+OB(O)c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL599911,7.89
+Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1,CHEMBL591800,8.4
+Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1Br,CHEMBL592033,8.7
+COc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL604245,7.38
+OCc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL592034,8.52
+Nc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL599912,7.15
+CS(=O)(=O)Nc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL604246,5.68
+O=C(O)c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL592035,5.51
+CNC(=O)c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL592269,5.38
+c1ccc2c(c1)NC(c1ccncc1)c1c[nH]c3nccc-2c13,CHEMBL602788,5.89
+c1ccc(C2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1,CHEMBL604037,5.42
+Fc1cccc(C2Nc3ccccc3-c3ncnc4[nH]cc2c34)c1,CHEMBL592270,5.82
+Oc1ccc(C2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1,CHEMBL604038,9.0
+Oc1ccc(C2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1F,CHEMBL589869,9.0
+Oc1ccc(-c2nc3ccccc3c3ncnc4[nH]cc2c43)c(Cl)c1,CHEMBL603048,9.1
+OCCCCc1[nH]c2ccccc2c2ncnc3ncc1-c32,CHEMBL604578,6.4
+O=C1c2ccccc2C2c3c[nH]c4nccc(c34)-c3ccccc3N12,CHEMBL589146,5.35
+COC(=O)C1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL602648,6.68
+COC(=O)C1(c2ccc(O)c(F)c2)Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL589387,7.54
+COC(=O)C1(c2ccc(O)cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23,CHEMBL589632,6.68
+CCOC(=O)C1(c2ccc(O)cc2)Nc2ccccc2-c2ncnc3[nH]cc1c23,CHEMBL602100,6.2
+O=C1NC(c2ccc(O)cc2F)c2c[nH]c3nccc(c23)-c2ccccc21,CHEMBL589633,7.47
+COc1ccc(C2NC(=O)c3ccccc3-c3ccnc4[nH]cc2c34)cc1,CHEMBL589634,5.42
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,CHEMBL1086736,5.46
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,7.4
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.2
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.0
+N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL1789941,9.873
+CCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682335,6.12
+OCCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682337,5.84
+c1cc2n[nH]cc2cc1-n1cc(C2CC2)nn1,CHEMBL1682338,5.84
+c1cc2n[nH]cc2cc1-n1cc(C2CCCC2)nn1,CHEMBL1682339,6.1
+c1cc2n[nH]cc2cc1-n1cc(CC2CCCCC2)nn1,CHEMBL1682340,6.55
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,5.995
+c1ccc(CCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682342,6.05
+c1ccc(CCCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682343,6.19
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,5.84
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.525
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,7.17
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682348,5.84
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.475
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,7.8
+CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1,CHEMBL1765781,6.43
+Nc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1,CHEMBL1835743,6.23
+COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC,CHEMBL1835740,7.17
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.9
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,9.1
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,6.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,8.4
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.2
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.5
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.7
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.1
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.6
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,4.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.0
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.9
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,5.0
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.0
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,5.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.9
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.6
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.3
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,8.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.3
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.2
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.2
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.2
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.2
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.8
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.8
+N#Cc1ccc2nc(N)n(-c3nc4c(s3)CCCC4)c2c1,CHEMBL1996345,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.9
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.7
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.2
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.8
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,6.0
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.8
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,5.8
+O=C1CN=C(c2ccc(F)cc2)c2cn[nH]c2N1,CHEMBL1994056,4.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,8.3
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,7.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.6
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.1
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.0
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,7.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.2
+CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C,CHEMBL1472492,6.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.2
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.6
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,7.7
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,6.1
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,7.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.1
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.2
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.8
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.3
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,7.3
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,7.1
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.8
+CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL1969879,6.5
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.9
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.9
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.3
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.5
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.8
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,6.2
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.4
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,7.2
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.1
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.3
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,4.9
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,7.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,8.4
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,6.1
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.3
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,5.9
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.9
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.6
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.6
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.9
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.1
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,7.0
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.0
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,7.7
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,5.9
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.1
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,6.0
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.4
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,5.9
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,7.8
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.4
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.4
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.9
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.7
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.8
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.1
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.1
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,7.3
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,8.8
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.0
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,6.0
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.1
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,7.8
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,7.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.6
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.2
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,8.3
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.0
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.6
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,7.9
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,5.6
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.0
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.8
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.9
+O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL2007124,7.3
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.8
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.0
+FC(F)(F)Oc1ccc(-c2ccc3[nH]cc(C4=CCNCC4)c3c2)cc1,CHEMBL1987982,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.1
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.4
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,8.4
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,5.6
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.1
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.7
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.5
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.1
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.5
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,6.4
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,5.9
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.7
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.5
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,6.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCC(O)CO,CHEMBL1981045,5.9
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.3
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.5
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.7
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.4
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.4
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.5
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,6.4
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.0
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,9.9
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.9
+Nc1ncnc2sccc12,CHEMBL1972934,4.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.4
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,6.2
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,8.3
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.2
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.4
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,6.9
+CN1CCCC1COc1cncc(CCc2ccccc2)c1,CHEMBL1972183,6.4
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,8.3
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,9.1
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.4
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.1
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.6
+COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,CHEMBL1233887,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N,CHEMBL1985566,5.9
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,6.4
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.6
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,5.9
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,8.6
+CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL234085,8.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.8
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,5.6
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.7
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,5.9
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.5
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,6.2
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.4
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.0
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.1
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.6
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.3
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.3
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.7
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,5.8
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.2
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.1
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.6
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.9
+COc1cc(OC)nc(N2Cc3ccccc3CC2C(=O)O)n1,CHEMBL1965604,5.6
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,5.8
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.6
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.7
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,9.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.9
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.0
+C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,CHEMBL2152297,9.52
+C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12,CHEMBL2152298,6.11
+C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,CHEMBL2152299,7.6
+N#CCC(=O)N1CCC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1,CHEMBL2152300,8.92
+c1ccc(CN2CCC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152301,7.25
+c1ccc(CN2CCC[C@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152302,7.33
+c1ccc(CN2CC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152303,7.6
+c1ccc(CN2CC(n3cnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2152304,7.23
+c1ccc(CN2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)cc1,CHEMBL2152305,8.36
+c1cc2c(ncc3ncn(C4CCNCC4)c32)[nH]1,CHEMBL2152306,6.6
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1,CHEMBL2159215,7.55
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](O)C1,CHEMBL2159214,7.59
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCC[C@H]1O,CHEMBL2159213,6.28
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCC[C@@H](O)C1,CHEMBL2159211,7.68
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1,CHEMBL2159210,7.92
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)CC1,CHEMBL2159212,7.74
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1,CHEMBL2159209,7.62
+COC(=O)N[C@H]1CC[C@H](n2c(C)nc3cnc4[nH]ccc4c32)CC1,CHEMBL2159208,7.92
+CC(=O)N[C@H]1CC[C@H](n2c(C)nc3cnc4[nH]ccc4c32)CC1,CHEMBL2159207,7.77
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NS(C)(=O)=O)CC1,CHEMBL2159206,7.96
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCCC#N)CC1,CHEMBL2159205,8.03
+Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F,CHEMBL2159204,7.96
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@@H]1F,CHEMBL2159203,7.13
+Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@H]1F,CHEMBL2159202,8.19
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCNC1,CHEMBL2159201,6.24
+Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1,CHEMBL2159200,7.92
+Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1,CHEMBL2159199,7.18
+Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2159198,8.3
+Cc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,CHEMBL2159143,8.68
+Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1,CHEMBL2159142,8.54
+Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1,CHEMBL2159141,6.7
+CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)c1,CHEMBL2170582,6.89
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br,CHEMBL2171743,5.52
+CNc1nc(Nc2ccccc2)ncc1Cl,CHEMBL2171736,7.19
+CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncc1Cl,CHEMBL2171748,8.15
+Cc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1C,CHEMBL2171747,8.52
+Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12,CHEMBL2178805,10.0
+Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2Cl)n1,CHEMBL2178804,10.0
+Cc1ccc(C)c(-c2nn(C)cc2NC(=O)c2cnn3ccc(N)nc23)c1,CHEMBL2178803,9.52
+Cc1ccccc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12,CHEMBL2178802,8.8
+Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2c(Cl)cccc2Cl)n1,CHEMBL2177122,8.28
+COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12,CHEMBL2178801,9.52
+Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12,CHEMBL2178800,9.22
+Cc1ccc(C)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1,CHEMBL2178266,8.68
+O=C(Nc1cn(CCN2CCOCC2)nc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178265,7.2
+CC(C)(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1,CHEMBL2178264,7.39
+COCC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1,CHEMBL2178263,7.78
+O=C(Nc1cn(C[C@@H](O)CO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178262,7.39
+O=C(Nc1cn(C[C@H](O)CO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178261,7.85
+O=C(Nc1cn(CCO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178260,8.25
+CC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1,CHEMBL2178259,7.31
+Cc1nc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3ccc(N)nc23)s1,CHEMBL2178258,9.0
+Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1,CHEMBL2178257,8.72
+Nc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1,CHEMBL2178256,7.5
+Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cccc(Cl)c3)c2n1,CHEMBL2178255,8.89
+Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cccc(Cl)c2)n1,CHEMBL2178254,9.0
+O=C(Nc1c[nH]nc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178253,8.49
+Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1,CHEMBL2178252,8.49
+Cn1cc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3cccnc23)n1,CHEMBL2178251,6.99
+Cc1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)cn1,CHEMBL2178250,8.01
+O=C(Nc1ccncc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178249,8.15
+O=C(Nc1cccnc1-c1cccc(Cl)c1)c1cnn2cccnc12,CHEMBL2178248,7.81
+CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1,CHEMBL2178247,8.29
+Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cccc(Cl)c2)n1,CHEMBL2178807,8.6
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cccc(Cl)c2)n1,CHEMBL2178806,7.92
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.04
+Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cc3F)c(F)c(N3CCOCC3)n2)[nH]n1,CHEMBL2381983,8.85
+Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)[nH]n1,CHEMBL2381980,9.14
+OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386645,7.7
+OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386644,7.31
+CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386643,7.36
+CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386642,6.77
+CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386641,7.12
+C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386640,7.68
+C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386639,7.05
+OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386638,7.74
+OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,CHEMBL2386637,8.08
+O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl,CHEMBL2387224,7.555
+c1cc2c(ncc3nnn(CC4CCNCC4)c32)[nH]1,CHEMBL2392495,5.91
+CN1CCC[C@H]1C(=O)N1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392491,6.14
+c1cc2c(ncc3nnn(C4CCNCC4)c32)[nH]1,CHEMBL2392494,6.17
+CC1(n2nnc3cnc4[nH]ccc4c32)CCN(CCC#N)CC1,CHEMBL2392492,6.31
+F[C@H]1CNCC[C@H]1n1nnc2cnc3[nH]ccc3c21,CHEMBL2392496,6.35
+CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392482,6.4
+N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392498,6.92
+F[C@@H]1CNCC[C@H]1n1nnc2cnc3[nH]ccc3c21,CHEMBL2392497,7.24
+CC1(n2nnc3cnc4[nH]ccc4c32)CCN(S(C)(=O)=O)CC1,CHEMBL2392493,7.28
+c1ccc(CN2CCC[C@@H](n3nnc4cnc5[nH]ccc5c43)C2)cc1,CHEMBL2392501,7.4
+COC(=O)N[C@@H]1CC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,CHEMBL2392486,7.48
+O[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392499,7.49
+c1cncc(CN2CCC(n3nnc4cnc5[nH]ccc5c43)CC2)c1,CHEMBL2392490,7.55
+COC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392483,7.57
+N#CCCN[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392480,7.68
+CC(C)CC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392484,7.77
+c1ccc(CN2CCC(n3nnc4cnc5[nH]ccc5c43)CC2)cc1,CHEMBL2392487,7.82
+CS(=O)(=O)N1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392489,7.92
+CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,CHEMBL2392485,8.0
+N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,CHEMBL2392500,8.42
+N#CCCN1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,CHEMBL2392488,8.43
+CC(C)n1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1,CHEMBL2414542,9.3
+O=C(O)c1ccc(Nc2nc3c(-c4cnn(C5CCCCC5)c4)cccn3n2)cc1,CHEMBL2414541,9.3
+O=C(O)c1ccc(Nc2nc3c(-c4cnn(C5CCCC5)c4)cccn3n2)cc1,CHEMBL2414540,9.22
+CC(C)c1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)ccn1,CHEMBL2414539,8.96
+CC(C)Cn1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1,CHEMBL2414538,9.3
+COc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1,CHEMBL2414537,9.15
+COc1ccc(-c2cccn3nc(Nc4cnn([C@H](C)CO)c4)nc23)cc1,CHEMBL2414536,8.85
+CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1,CHEMBL2414535,9.4
+CN(C)C(=O)c1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1,CHEMBL2414534,9.22
+COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1,CHEMBL2414533,8.77
+Cc1cc(Nc2nc3cccc(-c4cnn(CC(C)C)c4)n3n2)ccn1,CHEMBL2414532,8.7
+CCn1cc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)cn1,CHEMBL2414531,8.52
+Cc1cc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)ccn1,CHEMBL2414555,7.71
+COc1ccc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cc1,CHEMBL2414553,8.3
+Cc1cccc(Nc2nc3cccc(-c4cccc(C(C)C)c4)n3n2)c1,CHEMBL2414552,8.04
+Cc1ccnc(Nc2nc3cccc(-c4cccc(C(C)C)c4)n3n2)c1,CHEMBL2414550,7.39
+CC(C)c1cccc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)c1,CHEMBL2414549,9.22
+Cc1cc(Nc2nc3cccc(-c4cccc(C(C)C)c4)n3n2)ccn1,CHEMBL2414548,8.96
+CN1CCN(c2ccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1,CHEMBL2414547,9.52
+COc1cccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1,CHEMBL2414546,9.05
+CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(S(C)(=O)=O)c5)n4n3)cc2)CC1,CHEMBL2414545,8.7
+COc1ccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)cc1,CHEMBL2414544,9.22
+CCn1cc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cn1,CHEMBL2414556,8.32
+COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)cc1,CHEMBL2414554,8.8
+Cc1cccc(Nc2nc3cccc(-c4cccc(C(C)C)c4)n3n2)n1,CHEMBL2414551,7.15
+CC(C)c1cccc(-c2cccc3nc(NC(=O)c4ccc(F)cc4)nn23)c1,CHEMBL2414543,5.66
+CCC(=O)Nc1nc2cccc(-c3cccc(C(C)C)c3)n2n1,CHEMBL2414563,5.66
+COC(=O)Nc1nc2cccc(-c3cccc(C(C)C)c3)n2n1,CHEMBL2414562,7.75
+COc1cccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c1,CHEMBL2414561,6.68
+CC(C)c1cccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c1,CHEMBL2414560,8.1
+O=C(Nc1nc2cccc(-c3cccc(C(F)(F)F)c3)n2n1)C1CC1,CHEMBL2414559,7.08
+O=C(Nc1nc2cccc(-c3ccc(Cl)cc3)n2n1)C1CC1,CHEMBL2414558,7.23
+O=C(Nc1nc2cccc(-c3cccc(Cl)c3)n2n1)C1CC1,CHEMBL2414557,7.22
+Nc1ccc(C(=O)Nc2ccncc2)c(Cl)c1,CHEMBL2420856,5.49
+COc1cccc(C(=O)Nc2ccncc2)c1Cl,CHEMBL2420850,5.49
+O=C(Nc1ccncc1)c1cccc(Cl)c1Cl,CHEMBL2420848,5.49
+O=C(Nc1ccncc1)c1ccccc1,CHEMBL2420841,5.49
+COc1ccc(C(=O)Nc2ccncc2)c(Cl)c1,CHEMBL2420857,5.51
+O=C(Nc1ccncc1)c1ccc(Cl)cc1Cl,CHEMBL2420854,5.52
+Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420819,5.54
+O=C(Nc1ccncc1)c1c(F)cccc1F,CHEMBL1370276,5.55
+O=C(Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)c1ccccc1,CHEMBL2420838,5.57
+O=C(Nc1ccnc(Nc2ncccn2)c1)c1c(Cl)cccc1Cl,CHEMBL2420825,5.6
+NCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420840,5.62
+O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl,CHEMBL2420837,5.62
+Clc1cccc(Cl)c1-c1nnc(-c2ccncc2)[nH]1,CHEMBL2420818,5.7
+O=C(Nc1ccncc1)c1c(F)cccc1Cl,CHEMBL2420844,5.7
+O=C(Nc1ccncc1)c1cc(C(F)(F)F)ccc1Cl,CHEMBL2420852,5.74
+O=C(Nc1ccncc1)c1cc(Cl)ccc1Cl,CHEMBL2420851,5.77
+O=C(Nc1ccncc1)c1ccccc1Cl,CHEMBL1702157,5.77
+O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420839,5.85
+Clc1cccc(Cl)c1-c1nc(-c2ccncc2)c[nH]1,CHEMBL2420817,5.85
+O=C(Nc1ccnc(NC(=O)C2CCCO2)c1)c1c(Cl)cccc1Cl,CHEMBL2420811,5.89
+O=C(Nc1ccncc1)c1c(Cl)cccc1Cl,CHEMBL1327969,5.92
+O=C(Nc1ccnc(Nc2ccccc2)c1)c1c(Cl)cccc1Cl,CHEMBL2420823,6.07
+COC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420813,6.21
+O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl,CHEMBL2420836,6.29
+O=C(CC1CC1)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420835,6.42
+CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420821,6.51
+CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420832,6.6
+O=C(Nc1ccnc2[nH]ccc12)c1c(Cl)cccc1Cl,CHEMBL2420830,6.64
+O=C(Nc1ccnc(Nc2ccccn2)c1)c1c(Cl)cccc1Cl,CHEMBL2420824,6.89
+CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,CHEMBL2420812,7.15
+O=C(Nc1ccnc(Nc2cccnn2)c1)c1c(Cl)cccc1Cl,CHEMBL2420828,7.2
+O=C(Nc1cc[nH]c(=O)c1)c1c(Cl)cccc1Cl,CHEMBL2420831,7.22
+O=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl,CHEMBL2420826,7.26
+CCn1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cn1,CHEMBL2420829,7.46
+O=C(Nc1ccnc(Nc2ccncn2)c1)c1c(Cl)cccc1Cl,CHEMBL2420827,7.7
+CN(CCO)c1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,CHEMBL2436942,7.64
+N#C[C@H]1CCC[C@H]1Nc1nc(N2CCOCC2)nc2c(=O)[nH]ccc12,CHEMBL2436941,7.89
+N#C[C@H]1CCC[C@H]1Nc1nc(-c2cn[nH]c2)nc2c(=O)[nH]ccc12,CHEMBL2436944,9.22
+N#C[C@H]1CCC[C@H]1Nc1nc(N2CCCCC2)nc2c(=O)[nH]ccc12,CHEMBL2436940,7.68
+N#C[C@H]1CCC[C@H]1Nc1nc(-c2ccccc2)nc2c(=O)[nH]ccc12,CHEMBL2436943,8.52
+CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,CHEMBL2436939,8.74
+N#C[C@H]1CCC[C@H]1Nc1ncnc2c(=O)[nH]ccc12,CHEMBL2436965,8.05
+CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,CHEMBL2436945,9.0
+O=c1[nH]ccc2c(N3CCCCC3)ncnc12,CHEMBL2436959,5.49
+CN(c1ncnc2c(=O)[nH]ccc12)C1CCCC1,CHEMBL2436958,5.49
+O=c1[nH]ccc2c(OC3CCCC3)ncnc12,CHEMBL2436960,5.82
+O=c1[nH]ccc2c(NC3CCCC3CO)ncnc12,CHEMBL2436962,5.85
+O=c1[nH]ccc2c(NC3CCOCC3)ncnc12,CHEMBL2436954,6.12
+O=c1[nH]ccc2c(NCc3ccccc3)ncnc12,CHEMBL2436956,6.16
+O=c1[nH]ccc2c(NC3(CO)CCCC3)ncnc12,CHEMBL2436963,6.24
+O=c1[nH]ccc2c(N[C@@H]3CCCOC3)ncnc12,CHEMBL2436955,6.24
+O=c1[nH]ccc2c(NC3CCCC3O)ncnc12,CHEMBL2436961,6.25
+O=c1[nH]ccc2c(NCC3CCCC3)ncnc12,CHEMBL2436952,6.26
+O=c1[nH]ccc2c(Nc3ccc(Cl)cc3)ncnc12,CHEMBL2436957,6.42
+CC(C)(C)CNc1ncnc2c(=O)[nH]ccc12,CHEMBL2436947,6.42
+O=c1[nH]ccc2c(NCCC3CCCCC3)ncnc12,CHEMBL2436953,6.7
+O=c1[nH]ccc2c(NC3CCCCCC3)ncnc12,CHEMBL2436950,6.72
+O=c1[nH]ccc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)ncnc12,CHEMBL2436951,6.8
+N#C[C@@H]1CC[C@@H](Nc2ncnc3c(=O)[nH]ccc23)C1,CHEMBL2436969,6.82
+O=c1[nH]ccc2c(NC3CCCCC3)ncnc12,CHEMBL2434989,6.84
+O=c1[nH]ccc2c(NC3CCC3)ncnc12,CHEMBL2436948,6.89
+CC(C)(C)Nc1ncnc2c(=O)[nH]ccc12,CHEMBL2436946,6.91
+N#C[C@@H]1CCC[C@H]1Nc1ncnc2c(=O)[nH]ccc12,CHEMBL2436966,7.2
+N#C[C@H]1CC[C@@H](Nc2ncnc3c(=O)[nH]ccc23)C1,CHEMBL2436968,7.23
+O=c1[nH]ccc2c(NC3CCCC3)ncnc12,CHEMBL2436949,7.27
+CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F,CHEMBL3039513,7.89
+O=P(O)(O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401977,6.21
+O=c1[nH]c(=O)n(C[C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1,CHEMBL3401978,6.57
+O=c1cc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)[nH]o1,CHEMBL3401979,6.7
+NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401983,6.08
+OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401984,6.41
+CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401986,5.96
+CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401987,6.62
+CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401990,6.13
+COc1cc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)cnc1Cl,CHEMBL3585362,5.49
+Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1,CHEMBL3670390,9.3
+Cc1nc(-c2ccccc2C)c(NC(=O)c2cnn3ccc(N)nc23)s1,CHEMBL3670391,8.74
+Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1,CHEMBL3670392,8.49
+Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1,CHEMBL3670393,10.0
+Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1,CHEMBL3670394,9.05
+O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12,CHEMBL3670395,8.8
+O=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12,CHEMBL3670396,9.1
+Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2ccccc2C)n1,CHEMBL3670397,8.38
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2Br)n1,CHEMBL3667511,7.74
+COc1ccc(Cl)cc1-c1nn(CC(=O)N2CC=CCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667523,8.6
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(C#N)ccc2C)n1,CHEMBL3667509,8.24
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2C)n1,CHEMBL3667508,8.31
+COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12,CHEMBL3639663,8.24
+COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12,CHEMBL3667519,9.4
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2Cl)n1,CHEMBL3667510,8.48
+COc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667516,7.41
+CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667526,7.58
+O=C(Nc1cn[nH]c1-n1cc(Cl)ccc1=O)c1cnn2cccnc12,CHEMBL3667520,6.96
+O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cnn2cccnc12,CHEMBL3667513,6.8
+COc1ccc(C#N)cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667517,8.59
+COc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667524,8.38
+CCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667528,7.9
+O=C(Nc1ccnn1-c1ccccc1Cl)c1cnn2cccnc12,CHEMBL3667512,7.82
+COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O,CHEMBL3667521,9.3
+COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667529,8.24
+O=C(Nc1ccncc1-c1cccc(F)c1)c1cnn2cccnc12,CHEMBL3667514,7.64
+COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO,CHEMBL3667515,9.0
+COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667525,8.21
+N#CC1CCN(c2[nH]ncc2NC(=O)c2cnn3cccnc23)CC1,CHEMBL3667527,7.5
+COc1ncc(C#N)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12,CHEMBL3667518,8.82
+COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12,CHEMBL3667522,8.51
+COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,CHEMBL3780090,8.05
diff --git a/chembl_200/CHEMBL2973.csv b/chembl_200/CHEMBL2973.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b78b57e7c0e479bd28053f8941e2ace4aa7bcf95
--- /dev/null
+++ b/chembl_200/CHEMBL2973.csv
@@ -0,0 +1,510 @@
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,7.3
+C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1,CHEMBL559147,6.52
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,6.5
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.6
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.5
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.5
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.5
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,7.4
+CCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682335,6.97
+COCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682336,6.2
+OCCCc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682337,6.64
+c1cc2n[nH]cc2cc1-n1cc(C2CC2)nn1,CHEMBL1682338,6.45
+c1cc2n[nH]cc2cc1-n1cc(C2CCCC2)nn1,CHEMBL1682339,7.36
+c1cc2n[nH]cc2cc1-n1cc(CC2CCCCC2)nn1,CHEMBL1682340,7.0
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,7.57
+c1ccc(CCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682342,7.72
+c1ccc(CCCc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682343,7.21
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,6.68
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,7.255
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,7.145
+Clc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682347,7.01
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682348,7.41
+Clc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682349,7.17
+Fc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682350,6.55
+Fc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682351,6.74
+Fc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682352,6.55
+Cc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682353,6.43
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1Cl,CHEMBL1682354,7.82
+Clc1ccc(Cl)c(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682355,7.74
+Clc1cc(Cl)cc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1,CHEMBL1682356,7.39
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,7.475
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,7.7
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,7.025
+CNC(=O)c1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1681795,6.4
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.6
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,6.575
+c1ccc(-c2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682541,8.22
+Cc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682542,6.29
+Nc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682543,6.04
+CCNc1nc(-c2ccc3n[nH]cc3c2)cs1,CHEMBL1682544,6.05
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.08
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,6.885
+c1ccc(CCNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682547,6.44
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)c(-c3ccccc3)s2)cc1,CHEMBL1682548,5.85
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)c(-c3ccccc3)s2)cc1,CHEMBL1682549,6.09
+c1ccn2c(NC3CCCCC3)c(-c3ccc4n[nH]cc4c3)nc2c1,CHEMBL1682550,5.61
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,6.405
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.095
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,7.07
+Clc1ccc(Nc2c(-c3ccc4n[nH]cc4c3)nc3ncccn23)cc1,CHEMBL1682555,5.81
+c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2s1,CHEMBL1682556,6.21
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.8
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,7.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.6
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,5.4
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.3
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.8
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.5
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,7.8
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,6.3
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,6.6
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.9
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.5
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,6.1
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.9
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.3
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.8
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.1
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,6.4
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.9
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.4
+c1ccc(CSc2nnc(-c3ccncc3)[nH]2)cc1,CHEMBL1968926,5.4
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.6
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.3
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1,CHEMBL1991577,6.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.7
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,7.8
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,8.1
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.4
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,7.2
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,7.0
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,7.0
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.5
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,8.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1975121,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1,CHEMBL183844,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.7
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,7.8
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,5.3
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.2
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,6.7
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,7.4
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,7.4
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,6.2
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.9
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,6.7
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.7
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.3
+O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)c(F)c(F)c4)c4cnccc34)ccc21,CHEMBL2001923,6.0
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.0
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,6.8
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,8.6
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.3
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,8.2
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.8
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.9
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.2
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.3
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,7.3
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.5
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.0
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.4
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,7.9
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,8.5
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.0
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,5.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.8
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.8
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL2001477,5.3
+Cc1cc(=O)n2ncc(C(=O)NCc3ccccc3)c2[nH]1,CHEMBL1986166,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,7.6
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,5.2
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.1
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.2
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.8
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.4
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.9
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.8
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,7.8
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,7.5
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.1
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,5.7
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,7.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.9
+Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,CHEMBL1980592,5.4
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,7.4
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.4
+CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,CHEMBL1088751,5.3
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.5
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,8.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,7.6
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,8.4
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,6.5
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,7.7
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.4
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,8.5
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,CHEMBL1419458,5.2
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,CHEMBL2004355,5.3
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.7
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,7.9
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.0
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,6.2
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.2
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.0
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.2
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.4
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.5
+CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL234085,6.4
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,7.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.6
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.4
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,8.3
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.6
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.3
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.1
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.2
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,7.8
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.1
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.3
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,8.4
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,8.4
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,7.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.0
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.5
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,8.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.8
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,6.4
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,7.8
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,7.1
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.6
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,6.4
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,6.1
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,6.9
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,7.1
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.8
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,5.7
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,6.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,7.0
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,6.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,5.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.5
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.6
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.3
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.5
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.2
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,6.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.7
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.8
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,5.8
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,6.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.3
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.6
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,7.4
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,6.9
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,6.8
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1,CHEMBL1964288,6.9
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.8
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,6.6
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.7
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.9
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.4
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.8
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,7.2
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.0
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.3
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.0
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,6.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.7
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,8.5
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,6.4
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,7.3
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.4
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.6
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,7.1
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.9
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,6.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.3
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,7.5
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,7.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.1
+NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4n[nH]cc4c3)on2)C1,CHEMBL1970369,5.5
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.5
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,7.2
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.5
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.8
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,7.4
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,7.3
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,6.7
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.1
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.7
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.7
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.5
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.2
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.5
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,7.5
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,7.3
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.4
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,7.6
+CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1,CHEMBL1890036,5.2
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.1
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.2
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.9
+COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1964340,8.3
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.8
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.6
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.6
+NCCOc1cccc(Nc2ccnc(N)n2)c1,CHEMBL1995448,6.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.9
+CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1967662,8.0
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,6.2
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCCC1,CHEMBL2006481,5.7
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,6.6
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,7.0
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,6.8
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.5
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,7.5
+NC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1C(F)(F)F,CHEMBL1997554,6.3
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.5
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.3
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.8
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,7.1
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.6
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,7.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.2
+Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,CHEMBL1981511,5.5
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,6.7
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,7.4
+Cc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1,CHEMBL1986869,7.3
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,8.1
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,5.9
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,7.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.3
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,5.8
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,7.6
+CCOC(=O)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1990708,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.6
+O=C(NCc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1,CHEMBL1970709,7.0
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.5
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.8
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.0
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.1
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.3
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,6.8
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.8
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.7
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,8.0
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.4
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,7.3
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,6.0
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.7
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.4
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.2
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,6.0
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,7.5
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.4
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,7.9
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,6.8
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.7
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.8
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,7.1
+CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1,CHEMBL1969221,7.7
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,7.0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.3
+CCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N,CHEMBL209534,5.1
+CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2006631,5.2
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,6.7
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,5.5
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,6.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.5
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,6.7
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,7.4
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.1
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,7.4
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,6.5
+CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1969920,7.7
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.8
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,5.6
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,7.0
+O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,CHEMBL226232,5.2
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,6.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,7.4
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.0
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,6.5
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.2
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,8.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.9
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,5.3
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.6
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,5.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.8
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,7.2
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,6.9
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.9
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.1
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.8
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,8.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.7
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.1
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.2
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,7.0
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,8.1
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,7.2
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.2
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.8
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,5.7
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,8.3
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,8.5
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,8.6
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,6.8
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.2
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.4
+CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,CHEMBL1978014,5.6
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.6
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.3
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,7.5
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,5.6
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,7.1
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,7.0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,9.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.1
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,8.6
+c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,CHEMBL213207,8.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,7.0
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.5
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,7.6
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.5
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,7.7
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.1
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.8
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,6.5
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.7
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.6
+NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,CHEMBL1971951,5.8
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,6.0
+O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1,CHEMBL1992555,6.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.1
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,6.1
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,5.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.6
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.0
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,8.4
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,7.7
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.1
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,7.4
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,5.9
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.9
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,6.3
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,7.7
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.7
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,7.6
+COc1ccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)cc1,CHEMBL1992536,6.0
+NC(=O)c1ccc2c(ccn2-c2cccc(Cl)c2)c1,CHEMBL1966354,5.6
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,7.7
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.5
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.2
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.37
+c1ccc(CN2C3CCC2CC(Nc2cccc4cnccc24)C3)cc1,CHEMBL3647978,6.66
+c1ccc(CN2CC3CCC2C3Nc2ccc3n[nH]cc3c2)cc1,CHEMBL3647979,6.33
+Cc1ccc(CN2C3CCC2CC(Nc2ccc4n[nH]cc4c2)C3)cc1,CHEMBL3647975,7.7
+c1ccc(CN2C3CCC2CC(Nc2ccc4n[nH]cc4c2)C3)cc1,CHEMBL3647974,7.54
+OCCOc1cccc(CN2C3CCC2CC(Nc2ccc4n[nH]cc4c2)C3)c1,CHEMBL3647976,7.68
+Cc1ccc(CN2C3CCC2CC(Nc2ccc4n[nH]cc4c2)C3)cc1OCCO,CHEMBL3647977,8.0
+NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1,CHEMBL3770730,8.82
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1,CHEMBL3770836,9.1
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccnc2)cc1,CHEMBL3793788,9.15
+CCCCC(=O)OCc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3793688,8.8
+Cc1cc(C)cc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)c1,CHEMBL3792412,9.05
+Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,CHEMBL3794389,8.38
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)Cc2ccccc2)cc1,CHEMBL3793029,9.1
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccccc2)cc1,CHEMBL3792969,8.77
+CC(C)(C)C(=O)OCc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3793243,7.66
+CC(C)C(=O)OCc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3794444,8.49
+NCC(=O)Oc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3792435,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2cccnc2)cc1,CHEMBL3792612,8.32
+Cc1cc(C)cc(C(=O)Oc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)c1,CHEMBL3793870,6.56
+Cc1ccc(C(=O)Oc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,CHEMBL3792603,6.09
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)Cc2ccccc2)cc1,CHEMBL3792599,8.74
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2ccccc2)cc1,CHEMBL3794435,8.17
+CC(C)(C)C(=O)Oc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3793659,6.44
+CC(C)C(=O)Oc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3793381,7.38
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1,CHEMBL3793497,9.15
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12,CHEMBL3793296,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(C(F)(F)F)cc1,CHEMBL3793235,8.74
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1,CHEMBL3793203,8.57
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1,CHEMBL3792888,9.7
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(CO)c1,CHEMBL3792689,8.52
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OCc2ccccc2)cc1,CHEMBL3792593,8.7
+COc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3793516,8.89
+COc1cccc(C(CN)C(=O)Nc2ccc3cnccc3c2)c1,CHEMBL3793153,8.7
+COc1cc(C(CN)C(=O)Nc2ccc3cnccc3c2)ccc1O,CHEMBL3793368,7.99
+Cc1cc(C(CN)C(=O)Nc2ccc3cnccc3c2)ccc1O,CHEMBL3794298,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)c(O)c1,CHEMBL3794254,8.26
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1,CHEMBL3792663,9.22
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(O)c1,CHEMBL3792734,8.89
+Cc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1,CHEMBL3792673,9.4
+Cc1cccc(C(CN)C(=O)Nc2ccc3cnccc3c2)c1,CHEMBL3794198,8.48
+Cc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1,CHEMBL3793489,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl,CHEMBL3793404,9.1
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1,CHEMBL3794104,9.4
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(Cl)c1,CHEMBL3793505,9.05
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl,CHEMBL3792549,8.89
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)c(F)c1,CHEMBL3793969,8.92
+NCC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccc(F)cc1,CHEMBL3792581,8.7
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1,CHEMBL3792921,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(F)c1,CHEMBL3792666,9.0
+NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1F,CHEMBL3794270,9.0
+NCC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccccc1,CHEMBL3792781,8.66
+NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1,CHEMBL3793538,8.82
+NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1,CHEMBL3793245,7.8
+NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1,CHEMBL3793004,9.4
+C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,CHEMBL3794409,8.64
diff --git a/chembl_200/CHEMBL298.csv b/chembl_200/CHEMBL298.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0947fce7a23c66cce0e0406fe82b4fe6745a6c44
--- /dev/null
+++ b/chembl_200/CHEMBL298.csv
@@ -0,0 +1,460 @@
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)c(Cl)cc21,CHEMBL102867,5.8
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(F)ccc21,CHEMBL319795,6.65
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccc(Cl)cc21,CHEMBL101125,6.02
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2cc(Cl)ccc21,CHEMBL103968,6.02
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)c(I)c1,CHEMBL84864,9.4
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,CHEMBL407057,8.68
+CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1121,9.434
+CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL64605,7.38
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL384035,9.73
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL267329,8.04
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL264273,9.25
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL273880,7.33
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL440259,6.5
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL386304,6.48
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL384618,6.52
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL437661,8.33
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL266990,7.53
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL216831,7.27
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL384731,7.56
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL2370588,8.19
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3350665,6.99
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL3350278,5.38
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2370437,5.85
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL2112488,4.0
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL3350720,7.27
+CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3142842,5.66
+CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL3142843,5.37
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3350331,6.24
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2370441,6.54
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O,CHEMBL171594,7.15
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL412917,9.34
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL262894,10.22
+CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1,CHEMBL436722,7.41
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1,CHEMBL353862,7.85
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351054,8.29
+CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL2372781,9.89
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351059,7.09
+CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1,CHEMBL3351058,7.77
+CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12,CHEMBL3351050,7.15
+CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351048,6.23
+CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1,CHEMBL3351055,7.85
+CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL2372780,9.0
+CN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351052,6.85
+CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351049,5.52
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351051,7.17
+CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351061,6.11
+CN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351060,6.77
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351053,8.55
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL2372784,9.1
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C,CHEMBL3351062,7.44
+CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1,CHEMBL3351057,7.41
+CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C1CCCCC1,CHEMBL3351056,7.13
+CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL120632,7.71
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL2371224,7.4
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL2371225,7.21
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL2371223,5.36
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CHEMBL333477,9.1
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL2371221,7.82
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL2371222,7.82
+C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL3143501,7.29
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL124015,4.77
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL127969,4.89
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(=O)O,CHEMBL331517,8.32
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O,CHEMBL333516,8.39
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C,CHEMBL330785,8.14
+CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL411271,9.82
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O,CHEMBL339421,8.57
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C,CHEMBL120452,8.11
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)O,CHEMBL431676,5.84
+C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O,CHEMBL177799,7.82
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O,CHEMBL331394,4.64
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL408389,8.19
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C,CHEMBL118610,8.86
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O,CHEMBL332180,6.64
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)O,CHEMBL262197,9.55
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(=O)(=O)O,CHEMBL120150,9.27
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O,CHEMBL120335,8.42
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN,CHEMBL122012,7.02
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC,CHEMBL261934,8.6
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1,CHEMBL120827,8.74
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C,CHEMBL122934,5.34
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC,CHEMBL123056,7.62
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC,CHEMBL321456,8.44
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O,CHEMBL120528,7.92
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCC(=O)O,CHEMBL119960,6.0
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C(=O)O,CHEMBL120401,5.48
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/C(=O)O,CHEMBL120257,5.745
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C(=O)O,CHEMBL435404,7.62
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O,CHEMBL339907,6.48
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC(c2ccc(Cl)cc2)C[C@@H]1C(=O)O,CHEMBL338526,8.21
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O,CHEMBL436382,6.21
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O,CHEMBL340327,7.62
+C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O,CHEMBL339931,6.55
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2cccc3ccccc23)C[C@@H]1C(=O)O,CHEMBL126957,6.11
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)O,CHEMBL338752,6.1
+C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O,CHEMBL341045,7.55
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)O,CHEMBL339451,7.04
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC(c2ccccc2)C[C@@H]1C(=O)O,CHEMBL338072,7.85
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](OCc2cccc(Cl)c2)C[C@@H]1C(=O)O,CHEMBL434631,7.25
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](c2ccc(Cl)cc2)C[C@@H]1C(=O)O,CHEMBL129070,7.49
+C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O,CHEMBL336965,7.2
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)O,CHEMBL337934,7.58
+C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)O,CHEMBL262679,7.01
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O,CHEMBL338382,7.7
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2)C[C@@H]1CC(=O)O,CHEMBL338252,6.91
+C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(I)cc2)C[C@@H]1C(=O)O,CHEMBL337933,7.35
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCCc1ccccc1,CHEMBL95793,6.74
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(Cl)cc1Cl,CHEMBL319120,7.57
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O,CHEMBL319880,7.43
+CC(Cc1cccc2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)O,CHEMBL98516,6.87
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O,CHEMBL99939,8.2
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCC(=O)O)CCc1ccccc1,CHEMBL330390,7.44
+COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)cc1,CHEMBL329088,6.94
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(Cl)c(Cl)c1,CHEMBL316462,6.74
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1,CHEMBL291033,7.06
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc([N+](=O)[O-])cc1,CHEMBL328852,7.1
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)O,CHEMBL96036,6.01
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCc1ccccc1,CHEMBL99076,6.64
+CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1,CHEMBL99065,5.46
+CC(Cc1ccc(Br)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)O,CHEMBL320399,7.3
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1,CHEMBL318238,6.39
+CCOC(=O)CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3,CHEMBL320823,6.27
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(Br)cc1,CHEMBL432389,7.29
+CC(Cc1c[nH]c2ccccc12)(C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)O,CHEMBL318852,7.91
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccc2ccccc2c1,CHEMBL95689,6.4
+O=C(O)CN(CCc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3,CHEMBL95461,6.65
+CC(Cc1c[nH]c2ccccc12)(NC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1,CHEMBL276676,4.68
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)O,CHEMBL317999,7.85
+CC(Cc1ccccc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)O,CHEMBL319085,7.06
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(Cl)cc1,CHEMBL433407,7.41
+O=C(Nc1cccc(Cl)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O,CHEMBL317108,7.97
+O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O,CHEMBL330409,8.62
+CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL100776,8.25
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL100548,8.86
+CC(CC1CCCC1)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(C(C)CC2CCCC2)c2ccccc21,CHEMBL420459,7.77
+CC(C)CCN1C(=O)C(NC(=O)Oc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL318291,7.47
+O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O,CHEMBL101456,7.46
+O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1,CHEMBL318569,7.37
+CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL100509,8.12
+CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21,CHEMBL100618,8.59
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21,CHEMBL100685,8.41
+CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CCC(C)C)c2ccccc21,CHEMBL101208,7.54
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(CCC(C)C)c2ccccc21,CHEMBL101063,8.62
+O=C(Nc1ccccc1)N[C@@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL329305,9.02
+O=C(Nc1ccccc1)NC1C(=O)N(CC2C3CC4CC(C3)CC2C4)c2ccccc2N(c2ccccc2)C1=O,CHEMBL334020,8.71
+CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL330773,9.31
+Cc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL120031,8.81
+O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2C3CC4CC(C3)CC2C4)C1=O,CHEMBL120793,7.94
+CC(O)C(O)Nc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL331763,9.035
+O=C(Nc1cccc(Cl)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O,CHEMBL121267,8.76
+O=C(Nc1ccccc1)NC1C(=O)N(CCC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL332601,7.47
+O=C(Nc1cccc(C(=O)O)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL120363,9.01
+CC(C)(C1CCCC1)N1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL338278,8.82
+CSc1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1,CHEMBL121331,9.12
+CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL121703,8.54
+CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL420728,9.17
+CN(C)c1ccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)cc1,CHEMBL340107,8.33
+O=C(O)CCCOc1ccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)cc1,CHEMBL120657,8.42
+O=C(Nc1cccc(O)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL331244,9.24
+CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL332595,8.68
+O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O,CHEMBL120296,9.14
+O=Cc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL333517,9.02
+CSc1cccc(NC(=O)NC2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL121624,7.22
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CC3C4CC5CC(C4)CC3C5)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL333930,8.9
+CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL339879,8.95
+CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL118622,9.19
+O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O,CHEMBL331929,8.08
+CCOC(=O)c1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL119608,8.53
+CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21,CHEMBL332646,8.11
+CC(C)(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2F)c2ccccc21,CHEMBL331971,9.02
+O=C(Nc1cccc(CO)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL415240,9.75
+O=C(Nc1ccccc1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2CC3CCC2C3)C1=O,CHEMBL278018,8.81
+CC(CC1CCCC1)c1cccc2c1NC(=O)C(NC(=O)Nc1ccccc1)C(=O)N2c1ccccc1,CHEMBL331651,8.45
+CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1,CHEMBL332403,9.14
+O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O,CHEMBL331872,9.65
+O=C(Nc1cccc(C(=O)OCCN2CCOCC2)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL402702,9.25
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL331975,9.52
+O=C(Nc1cccc([N+](=O)[O-])c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL331405,8.72
+O=C(Nc1ccc(Br)cc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL118189,8.85
+CC(C)Cn1nnc(-c2cccc(NC(=O)NC3C(=O)N(CCC(C)(C)C)c4ccccc4N(c4ccccc4)C3=O)c2)n1,CHEMBL120168,8.61
+O=C(Nc1cccc(C2N=NN=N2)c1)NC1C(=O)N(c2ccccc2)c2ccccc2N(C2C3CC4CC(C3)CC2C4)C1=O,CHEMBL331688,8.68
+CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1,CHEMBL121021,9.48
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL332128,7.88
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1,CHEMBL421271,9.17
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL120021,8.95
+Nc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL331468,9.53
+CC(=O)Nc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(c3ccccc3)C2=O)c1,CHEMBL331119,8.88
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+CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3C4CC5CC(C4)CC3C5)C2=O)c1,CHEMBL120015,8.63
+CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL330854,8.21
+CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1,CHEMBL332568,9.22
+O=C(Nc1ccc(O)cc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL118954,9.18
+CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1,CHEMBL331262,8.99
+O=C(Nc1cccc(CN2CCOCC2)c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O,CHEMBL332850,8.52
+CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21,CHEMBL332902,9.54
+CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1,CHEMBL317181,6.1
+CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1,CHEMBL321761,7.6
+CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1,CHEMBL147186,8.0
+O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCCC2)C1=O,CHEMBL95200,8.8
+O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2F)C1=O,CHEMBL421575,7.9
+O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc2N(c2ccccc2F)C1=O,CHEMBL320624,9.4
+O=C(Nc1ccc(F)cc1)N[C@H]1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O,CHEMBL320141,8.6
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL430298,8.8
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL411201,8.68
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,CHEMBL265595,8.68
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL132314,9.22
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL206974,8.855
+C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1,CHEMBL165869,8.77
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL32301,4.15
+CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1cccc2ccccc12,CHEMBL95115,7.05
+CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,CHEMBL39263,6.77
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL2370598,6.92
+CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL412331,5.77
+CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL374325,5.82
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CHEMBL442483,5.89
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O,CHEMBL405192,5.42
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL375412,5.03
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O,CHEMBL438739,6.03
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(=O)O,CHEMBL408832,6.25
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CO)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL205198,7.82
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL378388,7.88
+COc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL203530,8.26
+Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL378098,8.05
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL380363,8.04
+CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL381805,7.53
+CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL206079,7.35
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCCC3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL380907,7.8
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL202680,7.57
+CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL205831,8.22
+CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL379902,7.88
+CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL205751,8.22
+CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL204154,8.1
+CNc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL206709,7.13
+CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1,CHEMBL204683,6.54
+CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1,CHEMBL205423,5.6
+CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL427387,6.71
+CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL324547,9.94
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(N3CCOCC3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL380193,7.78
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218763,7.82
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL205306,5.66
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL383458,5.57
+CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL379405,5.77
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408083,5.96
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218327,8.96
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL208479,7.82
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL262172,6.82
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL382051,7.59
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL382409,9.66
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL205965,8.57
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL408330,8.42
+CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL382349,8.8
+O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL387285,6.4
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1)N1CCCCC1,CHEMBL426524,5.7
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2[nH]1,CHEMBL217595,5.7
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1NS(=O)(=O)c1cc2ccccc2[nH]1,CHEMBL386985,5.3
+C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL217373,6.2
+C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL384457,5.3
+C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL385285,6.8
+C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL386209,6.1
+O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,CHEMBL216483,7.5
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,CHEMBL215416,7.2
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,CHEMBL217255,6.5
+O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,CHEMBL384854,5.4
+O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1,CHEMBL217225,7.5
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1,CHEMBL387194,6.9
+O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1,CHEMBL385552,5.4
+CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL216124,7.5
+O=C(NCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL217492,5.6
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCOCC1,CHEMBL387413,6.5
+CN1CCN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)CC1,CHEMBL215415,5.6
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(c2ccccc2)CC1,CHEMBL217878,7.2
+CC1CCCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL216320,7.5
+CC1CC(C)CN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)C1,CHEMBL384387,5.9
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC(CO)CC1,CHEMBL385734,5.9
+C[C@H]1C=C[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL217648,6.7
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCCC1,CHEMBL217720,7.2
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCSC1,CHEMBL216233,7.1
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCC1,CHEMBL386143,6.6
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCC1,CHEMBL386436,5.8
+O=C(c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL216707,6.8
+O=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL386598,7.2
+O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL384097,8.3
+O=C(c1ccc(F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL385636,6.0
+COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)N2CCCCC2)cc1OC,CHEMBL216623,5.6
+O=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL214836,8.0
+O=C(c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL385153,7.8
+O=C(Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccccc1,CHEMBL218729,5.1
+O=C(c1cc2ccccc2cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL216134,6.9
+O=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL438984,6.9
+O=C(c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL215111,6.8
+CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1,CHEMBL373703,6.6
+O=C(c1ccc(CS)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL383919,7.0
+O=C(c1ccc(-n2cccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL386438,6.3
+CN(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1,CHEMBL217514,6.5
+Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1,CHEMBL216559,5.1
+O=C(c1ccc(OC2CCCC2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL214277,6.8
+COc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1,CHEMBL217270,6.2
+O=C(C1=C(NS(=O)(=O)c2cccc3nsnc23)CC(NCc2ccccc2)C=C1)N1CCCCC1,CHEMBL216360,5.9
+O=C(c1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL411069,6.0
+O=C(c1ccc(Br)nc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1,CHEMBL263475,7.2
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncccc12)N1CCCCC1,CHEMBL386976,6.1
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12)N1CCCCC1,CHEMBL384573,5.8
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)ccc2nsnc12)N1CCCCC1,CHEMBL387287,7.4
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)c2nsnc12)N1CCCCC1,CHEMBL267290,6.8
+Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c2nsnc12,CHEMBL214235,7.0
+Cc1ccc2nsnc2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1,CHEMBL217170,7.0
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL217453,7.6
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL437908,7.4
+O=C(c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,CHEMBL217169,6.1
+CC(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1,CHEMBL214283,6.5
+COc1cc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)cc1Cl,CHEMBL217715,6.3
+O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1,CHEMBL384109,6.0
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL386212,5.11
+CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL217957,7.15
+CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL218600,5.96
+CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL407198,5.03
+O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2COC23CC4CC(CC(C4)C2)C3)c1,CHEMBL390519,7.71
+O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1,CHEMBL227333,9.48
+O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2nc(=O)o[nH]2)c1,CHEMBL227276,9.97
+O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1,CHEMBL227330,9.47
+O=C(O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1,CHEMBL387948,9.55
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL437930,9.04
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cn(CC(=O)O)cn3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL541903,8.39
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL388144,9.61
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(C(=O)O)co3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL437736,9.44
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3csc(C(=O)O)n3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL227275,9.18
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL388143,8.8
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL435143,9.15
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL276645,8.33
+CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1,CHEMBL227254,8.71
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226583,9.7
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226533,9.0
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL374390,8.41
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(NCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL559157,8.21
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(OCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226729,8.26
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL374389,8.37
+CN(CC(=O)O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1,CHEMBL226726,8.97
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL389639,9.19
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226675,8.73
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226673,8.67
+CC1CCCC1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL388068,8.92
+O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCCC2)C1=O)Nc1cccc(C(=O)O)c1,CHEMBL226622,9.1
+O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(C(=O)O)c1,CHEMBL226620,9.0
+Cc1ccccc1C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL390276,8.12
+O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)Nc1cccc(C(=O)O)c1,CHEMBL374388,8.25
+CCOCCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL427277,6.31
+O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O)Nc1cccc(C(=O)O)c1,CHEMBL390275,7.79
+CC(C)CCN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL269790,7.69
+CC(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226571,6.48
+CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL226570,5.92
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL227369,7.62
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCCC2)c2ccccc21,CHEMBL227147,8.32
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCC2)c2ccccc21,CHEMBL227097,7.62
+CC(C)C1=NN(CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(CC(=O)C(C)(C)C)c2ccccc21,CHEMBL389019,7.05
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL389711,9.53
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2cnn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21,CHEMBL1161950,8.56
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc3c2ccn3CC(=O)O)N=C(C2CCCCC2)c2ccccc21,CHEMBL227277,8.22
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(cnn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL389933,8.03
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3c(ccn3CC(=O)O)c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL438843,9.11
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3cnn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL389713,9.08
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ncn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21,CHEMBL541904,7.77
+Cc1c(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cnn1-c1ccccc1,CHEMBL429662,5.1
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCCC1,CHEMBL251684,5.8
+COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1,CHEMBL249469,6.3
+COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)oc1C,CHEMBL400114,5.3
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1csc2ccccc12)N1CCCCC1,CHEMBL399919,5.5
+COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1,CHEMBL249468,5.1
+COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1,CHEMBL399918,5.8
+O=C(NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)s1)c1ccccc1,CHEMBL249452,5.2
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1,CHEMBL400165,5.3
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1,CHEMBL251486,6.1
+CSc1nccc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)n1,CHEMBL251485,5.5
+COC(=O)c1csc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1OC,CHEMBL400164,5.3
+Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)cs1,CHEMBL251655,5.4
+Cc1nnc(-c2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2)o1,CHEMBL251653,5.1
+N#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1,CHEMBL251652,5.3
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC1,CHEMBL399059,5.6
+Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-],CHEMBL251651,5.7
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCCCC1,CHEMBL251467,6.2
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1,CHEMBL251466,6.3
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nc[nH]c12)N1CCCCC1,CHEMBL259224,5.8
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1,CHEMBL261682,7.2
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc2ncsc2c1)N1CCCCC1,CHEMBL409479,5.5
+Cc1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2s1,CHEMBL410905,5.3
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncsc12)N1CCCCC1,CHEMBL410708,6.1
+O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2scnc12)N1CCCCC1,CHEMBL259762,7.1
+Cn1nnc2c(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)cccc21,CHEMBL259751,5.7
+Cn1nc2cccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)c2n1,CHEMBL261636,6.1
+O=C(NCc1ccc(Cl)cc1)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL408452,6.3
+O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1,CHEMBL410138,6.0
+CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21,CHEMBL258782,7.68
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21,CHEMBL404967,8.92
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21,CHEMBL407340,9.37
+CN(c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1)c1nn[nH]n1,CHEMBL264150,8.37
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(SCC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21,CHEMBL258863,9.05
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CCC(=O)O)c2)C(=O)N(C2CCCCC2)c2ccccc21,CHEMBL259276,8.2
+CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(CC(=O)O)c2)C(=O)N(C2CCCCCC2)c2ccccc21,CHEMBL410114,8.5
+Cc1nc(-c2cccc(NC(=O)CN3C(=O)N(CC(=O)C(C)(C)C)c4ccccc4N(C4CCCCC4)C3=O)c2)cs1,CHEMBL259557,8.02
+CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1,CHEMBL260394,8.02
+Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCCC3)C2=O)c1,CHEMBL258486,8.12
+Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCCC3)C2=O)c1,CHEMBL408915,7.63
+O=C(CN1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1,CHEMBL259390,6.42
+CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1,CHEMBL509524,10.5
+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO,CHEMBL38874,7.96
+CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL452991,10.39
+CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL515288,6.27
+CN1C(=O)[C@@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21,CHEMBL475226,9.0
+O=C(NCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL569616,5.2
+O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL570521,5.1
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL566390,7.1
+O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL570518,6.8
+O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL584259,7.2
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL569848,6.2
+O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL585914,7.8
+O=C(N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL566359,6.3
+O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL569470,7.4
+O=C(NCCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL572046,6.0
+CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL571832,6.5
+CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1,CHEMBL566360,6.4
+CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1,CHEMBL565511,5.1
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+CC(CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CHEMBL570163,6.2
+C[C@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CHEMBL566604,6.3
+C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CHEMBL584063,5.8
+CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1,CHEMBL583457,6.3
+C[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O,CHEMBL570297,6.8
+C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O,CHEMBL569849,5.8
+CC(C)(c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O,CHEMBL570761,6.0
+O=C(N[C@H](C(=O)O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL569018,5.9
+C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1,CHEMBL571206,5.9
+O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL583344,7.6
+O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL570520,7.9
+O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL584525,8.0
+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL565298,8.0
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+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL585157,8.2
+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL571650,8.3
+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL583035,8.3
+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL566574,8.2
+O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12,CHEMBL565324,8.0
+COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,CHEMBL566177,6.6
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172249,7.0
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O,CHEMBL1172246,6.03
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172244,6.8
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172251,7.74
+CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1171596,7.21
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172429,6.72
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172428,6.74
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172253,6.96
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1172252,6.92
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2372623,6.7
+CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCC[N-][N+]#N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1917058,5.51
+CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nn1,CHEMBL1917060,4.74
+O=C(Nc1ccccc1C(=O)NC(CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1,CHEMBL1933100,4.82
+O=C(Nc1ccccc1C(=O)N[C@@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1,CHEMBL1933103,6.0
+O=C(Nc1ccccc1C(=O)N[C@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1,CHEMBL1933104,6.0
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COCCOCCOCCOCCOCCCCc1cn(CCCCCCOc2cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCCCCCCn3cc(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3400297,7.52
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3400294,8.21
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(CN(Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)Cc2cn(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)nn2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3400295,8.92
+CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCn1cc(COc2cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)cc(OCc3cn(CCCCCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)nn3)c2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3400296,8.43
diff --git a/chembl_200/CHEMBL299.csv b/chembl_200/CHEMBL299.csv
new file mode 100644
index 0000000000000000000000000000000000000000..8466d25f252c6ad90921b40dec74b99273bde998
--- /dev/null
+++ b/chembl_200/CHEMBL299.csv
@@ -0,0 +1,380 @@
+CCCCCCCCCCCCC/C=C1\CC(CO)(COS(C)(=O)=O)OC1=O,CHEMBL48577,6.08
+CCCCCCCCCCCCC/C=C1\CC(CO)(COC(C)=O)OC1=O,CHEMBL49904,7.11
+CCCCCCCCCCCCCCS(=O)(=O)OCC1(CO)CCC(=O)O1,CHEMBL49945,7.04
+CCCCCCCCCCCCCC(=O)OCC1(CO)CCS(=O)(=O)O1,CHEMBL51992,5.98
+CCCCCCCCCCCCCC(=O)OCC1(CO)CCC(=O)O1,CHEMBL299225,6.86
+CCCCCCCCCCCCC/C=C1\CC(CO)(COC(C)=O)OS1(=O)=O,CHEMBL52329,6.49
+CCCCCCCCCCCCC/C=C1/CC(CO)(COC(C)=O)OC1=O,CHEMBL420450,7.46
+CCCCCCCCCCCCC/C=C1\CC(CO)(COCC)OC1=O,CHEMBL115868,5.3
+CCCCCCCCCCCCC/C=C1/CC(CO)(COCC)OC1=O,CHEMBL324172,5.13
+CCCCCCCCCCCCC/C=C1/COC(CO)(COC(C)=O)C1,CHEMBL114138,5.12
+CC(C)CC(C/C=C1\CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C,CHEMBL439979,5.9
+CC(C)CC(C/C=C1/CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C,CHEMBL136786,6.37
+CC(C)CC(C/C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C,CHEMBL138171,8.35
+CC(C)C(C/C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C,CHEMBL290876,8.54
+CC(C)CC(C/C=C1\CC(CO)(COC(=O)C(C)(C)C)NC1=O)CC(C)C,CHEMBL137484,5.32
+CC(C)C(C/C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C,CHEMBL137288,8.57
+CC(C)C(C/C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C,CHEMBL136760,7.95
+CC(C)CC(C/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C,CHEMBL96766,8.54
+CC(C)C(C/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C,CHEMBL137701,8.08
+CC(C)CC(C/C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C,CHEMBL137597,8.16
+CC(C)CC(C/C=C1/CC(CO)(COC(=O)C(C)(C)C)NC1=O)CC(C)C,CHEMBL336926,5.36
+CC(C)CC(C/C=C1\CC(CO)(COC(=O)C(C)(C)C)N(O)C1=O)CC(C)C,CHEMBL138279,4.98
+CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C\CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O,CHEMBL339911,7.12
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+C=CCC(=O)Oc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O,CHEMBL101616,6.91
+CC(=O)OC[C@@]1(CO)OC(=O)c2c(OCc3ccccc3)cccc21,CHEMBL322865,6.27
+CCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O,CHEMBL100914,6.91
+CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O,CHEMBL100739,6.27
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+CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O,CHEMBL102106,6.27
+CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C,CHEMBL337834,9.03
+CCCCCCCC/C=C\CCCCCCC/C=C1\CC(CO)(COC(C)=O)OC1=O,CHEMBL94718,7.585
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+CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(=O)C(C)(C)C,CHEMBL433207,6.91
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+CCCCCCCC/C=C\CCCCCCC/C=C1/CC(CO)(COC(C)=O)OC1=O,CHEMBL321823,7.62
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+CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@@H](CO)C[C@]2(C)C1,CHEMBL50658,6.72
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+CCCCCCCC/C=C\CCCCCCCC/C=C1\C[C@](/C=C/C(=O)OC)(CO)OC1=O,CHEMBL139409,7.7
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+CCCCCCCC/C=C\CCCCCCC/C=C1\C[C@](/C=C2/CCOC2=O)(CO)OC1=O,CHEMBL140550,5.69
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+CCCCCCCCCCCCO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1778821,5.63
+CCCCCCCCCCCCO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC)[C@H]1OC,CHEMBL1778822,6.22
+C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)CC(=O)NC(=O)[C@H](C(C)C)N3C,CHEMBL1807163,6.22
+CC(C)C[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046640,7.27
+CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046643,7.12
+CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046644,7.31
+CC(C)C[C@H]1CN(c2ccc(C3CC3)c(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046645,5.58
+CC(C)C[C@H]1CN(c2ccc(OC(F)F)c(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046646,6.34
+CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N,CHEMBL2046648,5.91
+CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1,CHEMBL2046649,8.0
+Cc1cc(C(=O)c2cccnc2N)nc(N2CCN[C@@H](CC(C)C)C2)c1,CHEMBL2046651,6.34
+CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1,CHEMBL2148106,9.59
+C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3,CHEMBL2148107,7.82
+C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc(O)c1,CHEMBL2148108,8.33
+c1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1,CHEMBL2326014,5.91
+CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2Cl)CCN1,CHEMBL2326002,6.45
+CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1,CHEMBL2326001,6.7
+CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2CO)CCN1,CHEMBL2326000,6.69
+CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2O)CCN1,CHEMBL2325998,7.25
+CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1,CHEMBL2326012,5.91
+CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1,CHEMBL2326007,6.26
+Nc1ncccc1C(=O)c1cccc(N2CCNCC2)n1,CHEMBL2046626,6.38
+Nc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1,CHEMBL2046624,6.37
+C[C@@H](CCCc1cccc(O)c1)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C,CHEMBL2418196,9.0
+CCCC(CCC)C(=O)OCC1(CO)C/C(=C\c2cccc3c2ccn3C)C(=O)O1,CHEMBL3289011,7.75
+CCCC(CCC)C(=O)OCC1(CO)C/C(=C\c2ccc3c(ccn3C)c2)C(=O)O1,CHEMBL3289012,8.08
+CCCC(CCC)C(=O)OCC1(CO)C/C(=C\c2ccc3ccn(C)c3c2)C(=O)O1,CHEMBL3289013,8.12
+CCCC(CCC)C(=O)OCC1(CO)C/C(=C\c2cccc3ccn(C)c23)C(=O)O1,CHEMBL3289014,7.89
+CCCCCCCCCCCCCCCCC/C=C1\CC(=O)OC1(CO)COC(=O)C(C)(C)C,CHEMBL3393757,7.29
+CCCCCC1CC1CC1CC1CCCCCCC/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O,CHEMBL3393755,7.31
+CCCCC/C=C\C/C=C\CCCCCCC/C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O,CHEMBL3393754,7.835
+CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1,CHEMBL3393749,7.655
+CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1,CHEMBL3393746,7.165
+CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1,CHEMBL3393742,7.585
+CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@@H](O)[C@@H](C)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(CCOC(=O)C=CC(C)(C)[C@]1(O)O2)O3,CHEMBL3581528,7.86
+CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3,CHEMBL449158,9.32
+COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C)[C@H](O)C[C@@H]3C[C@@H]4CC(=O)O[C@@]4(O3)C(=O)C(C)(C)C=C[C@@H](C1)O2,CHEMBL3581527,7.67
diff --git a/chembl_200/CHEMBL301.csv b/chembl_200/CHEMBL301.csv
new file mode 100644
index 0000000000000000000000000000000000000000..179f1ab5fb6ae3f732fcc3cd214ec952ac8c8f8f
--- /dev/null
+++ b/chembl_200/CHEMBL301.csv
@@ -0,0 +1,557 @@
+Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1,CHEMBL303958,5.89
+NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1,CHEMBL101801,5.62
+CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL86066,5.8
+Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL280074,5.4
+Cc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1,CHEMBL442957,6.85
+Cc1nc(C)c(-c2ccnc(N)n2)s1,CHEMBL47302,5.19
+Cc1nc(C)c(-c2ccnc(Nc3ccccc3F)n2)s1,CHEMBL297447,5.92
+CNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1,CHEMBL44119,6.96
+Cc1nc(C)c(-c2ccnc(Nc3cccc(C#N)c3)n2)s1,CHEMBL47132,6.52
+Cc1nc(C)c(-c2ccnc(Nc3cccc(N)c3)n2)s1,CHEMBL47636,6.4
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)c(Cl)c3)n2)s1,CHEMBL433068,7.0
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1,CHEMBL431336,7.52
+Cc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1,CHEMBL47527,7.22
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1,CHEMBL46817,6.63
+Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL298445,8.7
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N(C)C)cc2)n1,CHEMBL295398,6.15
+CNc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1,CHEMBL46429,6.1
+Cc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1,CHEMBL295127,7.1
+CNc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1,CHEMBL47590,7.15
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)c([N+](=O)[O-])c3)n2)s1,CHEMBL295484,7.7
+Cc1nc(C)c(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)s1,CHEMBL48109,6.54
+Cc1nc(C)c(-c2ccnc(Nc3cccc(F)c3)n2)s1,CHEMBL432116,7.0
+Cc1nc(N(C)C)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL46401,7.22
+Cc1nc(C)c(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1,CHEMBL45001,5.6
+Cc1nc(C)c(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)s1,CHEMBL47690,5.39
+Cc1nc(C)c(-c2ccnc(Nc3ccc(F)cc3)n2)s1,CHEMBL297412,7.4
+C=CCNc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1,CHEMBL47249,6.8
+Cc1nc(C)c(-c2ccnc(Nc3cccc(Cl)c3)n2)s1,CHEMBL44712,6.17
+Cc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1,CHEMBL45408,6.96
+Cc1[nH]c(C(N)=O)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,CHEMBL362722,7.1
+Cc1[nH]c([N+](=O)[O-])c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,CHEMBL364767,7.52
+Cc1[nH]c(Cl)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,CHEMBL365245,6.44
+Cc1[nH]c(Br)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,CHEMBL185099,6.57
+Cc1c[nH]c(C)c1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL364408,7.3
+Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL264345,6.85
+Cc1ccc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)cc1[N+](=O)[O-],CHEMBL183158,7.3
+Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(O)cc2)n1,CHEMBL184253,7.3
+Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1,CHEMBL360530,7.52
+Cc1ccc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)cc1O,CHEMBL359623,6.89
+Cc1cc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)ccc1F,CHEMBL185310,7.05
+Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,CHEMBL185323,7.0
+c1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1,CHEMBL362296,5.4
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,CHEMBL189617,5.3
+c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL359554,8.3
+CN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1,CHEMBL360866,4.7
+COc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL187081,8.7
+N#Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL359794,9.0
+O=[N+]([O-])c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL188938,7.7
+CC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL359963,8.0
+CCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL185871,6.82
+CC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,CHEMBL364587,6.82
+COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC,CHEMBL186054,7.3
+c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCO5)n3)c2c1,CHEMBL189455,8.0
+c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1,CHEMBL361894,8.22
+Fc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F,CHEMBL364370,8.7
+c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCCO5)n3)c2c1,CHEMBL186708,8.22
+Clc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1Cl,CHEMBL186890,9.0
+FC(F)(F)c1cc(Nc2nccc(-c3cnn4ncccc34)n2)ccc1Cl,CHEMBL188665,8.0
+COc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(OC)c1,CHEMBL359999,8.0
+COc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(C(F)(F)F)c1,CHEMBL360206,8.0
+FC(F)(F)c1cc(Br)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL365229,8.0
+Fc1cc(F)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL184510,9.0
+Clc1cc(Cl)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL361697,6.51
+Cc1cc(C)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1,CHEMBL186101,8.52
+O=c1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2[nH]1,CHEMBL187750,8.1
+COc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL189235,6.8
+CCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL183993,5.7
+CCCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL187287,5.9
+COc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1,CHEMBL188312,7.22
+COc1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3)cnn2n1,CHEMBL365248,6.72
+COc1ccc2c(-c3ccnc(Nc4ccc(C#N)cc4)n3)cnn2n1,CHEMBL189352,6.3
+COc1ccc2c(-c3ccnc(Nc4ccc([N+](=O)[O-])cc4)n3)cnn2n1,CHEMBL186288,7.7
+COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1,CHEMBL188417,6.72
+COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1,CHEMBL187139,6.1
+COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,CHEMBL188785,7.0
+Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,CHEMBL187006,7.3
+Cc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1,CHEMBL188303,6.72
+COc1cc(Nc2nccc(-c3cnn4nc(C)ccc34)n2)cc(C(F)(F)F)c1,CHEMBL186680,7.7
+Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,CHEMBL434337,8.22
+FC(F)(F)c1cccc(Nc2nccc(-c3cnn4nc(-c5ccccc5)ccc34)n2)c1,CHEMBL189415,5.6
+c1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1,CHEMBL360408,5.4
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,6.5
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,6.6
+CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,CHEMBL428690,6.72
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.1
+CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N,CHEMBL210618,6.095
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.895
+Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,CHEMBL379218,7.34
+COc1ccccc1C(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N,CHEMBL383875,5.29
+COc1c(C(=O)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N)cc(F)c(F)c1F,CHEMBL214183,6.31
+COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL213713,8.7
+COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL215086,8.22
+COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL384304,8.52
+CS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3c(F)cccc3F)c(N)n2)CC1,CHEMBL265903,7.82
+COc1cccc(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL385733,7.89
+COc1ccc(Cl)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL385373,6.35
+COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL268507,8.15
+COc1cc(F)ccc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL277351,7.08
+CCOc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N,CHEMBL216148,5.69
+CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3C)c(N)n2)CC1,CHEMBL214433,5.66
+CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3F)c(N)n2)CC1,CHEMBL214025,5.5
+CCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1,CHEMBL385190,7.29
+COc1ccccc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,CHEMBL216126,7.62
+CCCC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1,CHEMBL384356,6.05
+COc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N,CHEMBL217537,6.49
+CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1,CHEMBL217443,6.22
+CCNC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1,CHEMBL385907,5.76
+COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N,CHEMBL387448,5.2
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,5.22
+NC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1,CHEMBL396377,5.7
+O=C1N=C(NCc2cccs2)S/C1=C\c1ccc2ncccc2c1,CHEMBL393929,6.47
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,5.505
+COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,CHEMBL259850,5.3
+Oc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1,CHEMBL470175,5.78
+Cc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1,CHEMBL485731,5.82
+OCc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1,CHEMBL485730,5.82
+Cc1cc(C)cc(Nc2nccc(-c3nc(CO)cs3)n2)c1,CHEMBL511811,5.62
+Cc1cc(C)cc(Nc2nccc(-c3nc(C)cs3)n2)c1,CHEMBL453217,7.0
+Cc1cc(C)cc(Nc2nccc(-c3ncc(C)s3)n2)c1,CHEMBL470780,5.96
+Cc1cccc(Nc2nccc(-c3nccs3)n2)c1,CHEMBL471819,5.61
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,7.42
+O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,CHEMBL494221,5.51
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.7
+Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL571722,6.86
+Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL576683,6.77
+Cc1cnc(Nc2cccc3c2OCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL571484,6.68
+Cc1cnc(Nc2cccc3c2CCCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL570111,6.6
+Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL568937,6.19
+CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,CHEMBL571056,6.35
+Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL576048,6.5
+Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL583042,6.07
+Cc1cc(Cl)ccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,CHEMBL568483,7.12
+Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL582829,6.82
+Cc1cnc(Nc2cccc(C)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL572157,7.39
+Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,CHEMBL565460,7.16
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL577193,6.54
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1,CHEMBL570367,5.96
+Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL572162,7.24
+CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,CHEMBL572361,6.68
+Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,CHEMBL584754,6.85
+Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL571038,6.62
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL565459,7.8
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.9
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(OC)c2)cc1,CHEMBL1080902,7.02
+COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,CHEMBL1076721,7.21
+COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,CHEMBL1086736,7.12
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1,CHEMBL1083484,5.4
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1,CHEMBL1083786,6.36
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1083785,6.53
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(N)nc4C)n3)cc2)CC1,CHEMBL1084969,6.28
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084630,6.82
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084629,6.81
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1085626,5.98
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1,CHEMBL1084715,7.49
+CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1086088,6.33
+CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1083152,6.59
+COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC,CHEMBL1083151,6.62
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N)cc3)n2)s1,CHEMBL1084454,6.77
+CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1,CHEMBL1083150,6.54
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.5
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.5
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.9
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.7
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.9
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.1
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.1
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.3
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.1
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,7.4
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,6.4
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,5.3
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.5
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.6
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,7.0
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.9
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1,CHEMBL1964288,8.3
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.3
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.9
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.3
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,5.5
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.7
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.5
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.7
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.6
+COc1ccccc1C(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1997643,6.6
+O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,5.6
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.3
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.6
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.1
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.4
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,7.3
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.4
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.2
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.6
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.6
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,5.6
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,5.7
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.5
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,6.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.6
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.1
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.9
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.4
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.0
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,5.2
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,6.2
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.3
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,8.0
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,5.6
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,7.5
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.3
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.1
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,5.9
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.2
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,6.9
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.6
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,7.3
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.0
+O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,CHEMBL2003482,6.4
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.6
+COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1964340,6.6
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.3
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,5.5
+CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1967662,7.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.0
+Cc1[nH]nc2c1C(c1ccccc1F)C1C(=O)CC(C)(C)CC1=N2,CHEMBL1966703,5.7
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,6.4
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,7.0
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.4
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.4
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.5
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,5.4
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.1
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,7.2
+Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,CHEMBL1981511,6.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.4
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.1
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,5.1
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,6.0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.5
+CS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL1975937,5.2
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,6.8
+Cc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1,CHEMBL1980371,5.1
+CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,CHEMBL260933,5.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.0
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,4.9
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.3
+Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C,CHEMBL1977814,6.0
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,6.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,7.2
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.4
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.1
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,6.0
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.9
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.5
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,5.2
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.4
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,7.8
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.2
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.8
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.3
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.6
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.4
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1976093,5.3
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.8
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,5.5
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.5
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.8
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,6.0
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,7.4
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,6.5
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.2
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.2
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.6
+CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1,CHEMBL1969221,6.9
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,7.4
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.6
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.1
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,6.3
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,5.9
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.7
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,5.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.2
+CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1969920,7.5
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.8
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.3
+O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,CHEMBL226232,5.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.4
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.3
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,7.0
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.5
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,7.8
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.9
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,5.8
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,6.0
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.8
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.8
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,6.7
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,6.2
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.9
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.9
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.9
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.9
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.5
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.2
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,6.0
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.8
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.5
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.4
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.1
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.6
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.6
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,6.4
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.6
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,6.2
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.9
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.2
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,6.6
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,6.8
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,6.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.7
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,7.1
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,6.2
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,6.7
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.8
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,6.3
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.0
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.0
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.5
+c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,CHEMBL213207,8.4
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.5
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.4
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.9
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.6
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.1
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,5.9
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.1
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.5
+NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,CHEMBL1971951,5.9
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.5
+Fc1ccc2c(c1)-c1n[nH]cc1CS2,CHEMBL1989069,4.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.5
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,6.1
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.5
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,7.9
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.1
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.4
+FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1999153,8.3
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,7.2
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,5.5
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,5.7
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.8
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,6.3
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.2
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,6.5
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,7.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,7.1
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.3
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.4
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.7
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.9
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,8.4
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.6
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,5.7
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.4
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.2
+CN(c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O)S(C)(=O)=O,CHEMBL1980497,5.7
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,7.7
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,5.7
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.5
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,6.3
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.7
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.5
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.6
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.3
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.3
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,5.2
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.7
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.0
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.2
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.3
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.2
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,6.2
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,6.6
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.6
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,6.0
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,7.0
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.5
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.8
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.1
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.8
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,7.4
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.8
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.2
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,5.5
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.9
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,6.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.3
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.5
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.5
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.5
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,5.1
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.4
+O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,5.1
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.5
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.4
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,6.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.9
+Cc1c(Cl)c(N2CCC(CN)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1999774,5.1
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.7
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.6
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,6.5
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.3
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,5.7
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,6.1
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.7
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.3
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.2
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,6.2
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,5.1
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.9
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.8
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.6
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.5
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,5.5
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.3
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.8
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,5.1
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.6
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.3
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.4
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.1
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.0
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.2
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.7
+O=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1,CHEMBL1998193,5.2
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.5
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.8
+O=C(Nc1ccccc1)Nc1nccs1,CHEMBL1487428,4.7
+O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,CHEMBL2003637,6.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.5
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,6.0
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.3
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.1
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.1
+CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,CHEMBL52387,6.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N,CHEMBL1985566,5.3
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,6.5
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.8
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,CHEMBL1419458,5.1
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,7.0
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,5.9
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,6.0
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,7.2
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,5.1
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,7.9
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.0
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.9
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,5.4
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.6
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.6
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.9
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.1
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,CHEMBL336961,6.3
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,8.5
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,7.6
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.6
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.9
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.2
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.9
+CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12,CHEMBL1990541,6.0
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.4
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,7.2
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.7
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,5.2
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.1
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,5.4
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.3
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,7.0
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.7
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,7.6
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,6.9
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.8
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,5.1
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.5
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,7.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.7
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,6.4
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,8.1
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,6.0
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,6.1
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,6.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.5
+COc1cc(-c2ccc3c(c2)NC(=O)c2ccc(-c4ccccc4NS(C)(=O)=O)cc2N3)cc(OC)c1OC,CHEMBL1984038,5.4
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.8
+CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1,CHEMBL2064555,8.47
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C)c1ccccc1,CHEMBL2064558,5.74
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C)c1ccccc1,CHEMBL2064561,5.7
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccc(F)cc2)C1(C)C)c1ccccc1,CHEMBL2064562,5.94
+COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1,CHEMBL3099752,7.0
+CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1,CHEMBL3099751,6.8
+CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1,CHEMBL3099750,7.0
+CCC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1,CHEMBL3099749,6.52
+C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1,CHEMBL3099748,5.6
+O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc(C(=O)O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1,CHEMBL3099747,4.92
+COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1,CHEMBL3099743,5.6
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(N3CCOCC3)ccc2n1,CHEMBL3099760,5.55
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3ccccc3)ccc2n1,CHEMBL3099759,5.0
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2n1,CHEMBL3099758,6.7
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3ccc(Cl)cc3)ccc2n1,CHEMBL3099757,6.05
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3ccccc3Cl)ccc2n1,CHEMBL3099756,6.15
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccc(Cl)c3)ccc2n1,CHEMBL3099755,6.85
+COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(-c3cccs3)ccc2n1,CHEMBL3099754,6.05
+CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401987,5.92
diff --git a/chembl_200/CHEMBL302.csv b/chembl_200/CHEMBL302.csv
new file mode 100644
index 0000000000000000000000000000000000000000..8e10de0218706df91df79ae867739d833dd862fa
--- /dev/null
+++ b/chembl_200/CHEMBL302.csv
@@ -0,0 +1,1554 @@
+Cn1c(-c2ccccc2)nc2c1C1=NCCN1C(=O)N2,CHEMBL117962,4.84
+C[C@H](COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL326838,5.13
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NN4CCC(Sc5ccccc5)CC4)nc(Cl)nc32)[C@@H]1O,CHEMBL117974,5.94
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL116903,5.89
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL139000,6.89
+CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21,CHEMBL117904,5.24
+Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL331382,7.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL331372,7.803
+O=S(=O)(O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL411732,5.38
+C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL327073,6.61
+CC(COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL115471,5.96
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL423315,5.93
+C[C@H](CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2112564,6.2
+CCNC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113466,4.37
+CCCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113467,4.73
+CCCNC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113472,4.84
+CCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL263643,4.72
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL477444,5.06
+C[Se]C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113471,4.95
+CSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113468,4.87
+CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113469,4.99
+CNC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113470,4.34
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO)c1=O,CHEMBL413079,8.136000000000001
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCCO)c1=O,CHEMBL138080,7.89
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(O)c3)n2C)n(C)c1=O,CHEMBL138396,7.68
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(C)c1=O,CHEMBL139090,7.38
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(C)c1=O,CHEMBL136047,8.09
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCO)c1=O,CHEMBL343175,7.41
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCO)c1=O,CHEMBL138527,7.6
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(C)c1=O,CHEMBL344857,7.92
+CC(C)c1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1,CHEMBL443741,6.36
+N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL132629,7.55
+Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CHEMBL87121,5.12
+Cn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O,CHEMBL20993,4.7
+Cn1c(=O)c2c(nc(/C=C/C(=O)O)n2C)n(C)c1=O,CHEMBL92364,4.38
+Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL62350,6.053
+Cn1c(=O)c2c(nc(C3CCC3)n2C)n(C)c1=O,CHEMBL92152,4.72
+Cn1c(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CHEMBL327584,4.92
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O,CHEMBL8488,4.98
+Cn1c(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n(C)c1=O,CHEMBL89383,6.68
+Cn1c(=O)c2c(nc(/C=C/C(=O)OC(C)(C)C)n2C)n(C)c1=O,CHEMBL424433,6.21
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CC=C)n(C)c1=O,CHEMBL89274,5.11
+C=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)n(CCC)c(=O)n2CCC,CHEMBL313543,5.38
+CCCn1c(=O)c2[nH]c(C)nc2n(CCC)c1=O,CHEMBL313462,5.55
+Cn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL21053,4.658
+Cn1c(=O)c2c(nc(-c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O,CHEMBL327466,4.8
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL418333,5.95
+CCC/C=C/c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL313646,6.36
+Cn1c(=O)c2c(nc(C(F)(F)F)n2C)n(C)c1=O,CHEMBL88329,4.54
+C=CCn1c(=O)c2c(nc(-c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O,CHEMBL415473,4.96
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL66610,4.775
+C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O,CHEMBL88584,4.57
+Cn1c(=O)c2[nH]c(C3CCC3)nc2n(C)c1=O,CHEMBL85185,5.55
+CCCn1c(=O)c2[nH]cnc2n(CCC)c1=O,CHEMBL157655,5.59
+CCC/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,CHEMBL90989,5.8
+CCCn1c(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n(CCC)c1=O,CHEMBL329369,7.38
+Cn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,CHEMBL91786,4.92
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O,CHEMBL158507,6.785
+CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL275084,5.24
+CCCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CCC)c1=O,CHEMBL290589,7.12
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113430,5.5
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL607729,5.37
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113424,5.38
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL604965,4.7
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113520,6.34
+OC[C@H]1OC(n2cnc3c(NC4CCCCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL611851,5.04
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113387,5.29
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL45891,6.22
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113477,5.51
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113517,6.23
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL569275,6.38
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL284969,6.162000000000001
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113516,5.18
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113521,5.02
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113390,5.55
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113423,6.29
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113391,5.28
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL606228,4.86
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113518,5.69
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)[C@@H](O)C1O,CHEMBL312981,5.31
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113478,4.79
+OC[C@H]1OC(n2cnc3c(NC4CCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL608306,5.96
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113389,5.0
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,7.25
+CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL206265,5.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265587,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C(C)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203812,5.98
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4nncs4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437315,6.04
+CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL413046,5.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL205058,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Cc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL383548,7.58
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202722,5.45
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203933,6.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL381917,4.31
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL426669,6.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL204820,7.23
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cc(C)on4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202690,6.05
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL426847,5.75
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ccccn5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113540,6.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437503,5.53
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C(=O)Nc4ccc([N+](=O)[O-])cc4)C(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203958,5.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL377291,5.73
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL203667,5.78
+CCCOc1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610394,6.59
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL383268,5.58
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5cc(C)on5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610112,6.01
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCCc4ccc(OC)c(OC)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL204651,5.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL204246,4.97
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL379472,6.59
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437506,5.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ncccn5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113550,7.77
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL380914,6.25
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(I)c4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608327,6.33
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C(=O)Nc4ccc(Cl)cn4)C(=O)Nc4ccc(Cl)cn4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202249,6.1
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3O)nc2n(CCC)c1=O,CHEMBL156863,6.97
+CCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL24107,5.01
+CCCn1c(=O)c2[nH]c(-c3cc(O)ccc3O)nc2n(CCC)c1=O,CHEMBL36867,4.76
+CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O,CHEMBL307105,4.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3O)nc2n(CCC)c1=O,CHEMBL350469,5.26
+CCCn1c(=O)c2[nH]c(-c3cc(O)c(OC)c(O)c3)nc2n(CCC)c1=O,CHEMBL69701,5.87
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O,CHEMBL67110,5.45
+C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL10873,5.72
+Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O,CHEMBL23903,5.37
+Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O,CHEMBL67060,4.48
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL63944,5.5
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3O)nc2n(CCC)c1=O,CHEMBL156178,5.57
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O,CHEMBL273807,6.21
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200732,6.46
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL201706,5.2
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL267474,7.2
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL8565,4.698
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8495,7.27
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8810,7.68
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(CCC)c1=O,CHEMBL266099,7.55
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n(C)c1=O,CHEMBL9030,7.0
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL412854,7.11
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(C)c1=O,CHEMBL9034,6.93
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL268617,5.09
+CCCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL8789,6.19
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL8732,7.13
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL8865,7.8
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL417601,7.47
+Cn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL9069,5.66
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL275987,4.62
+COc1cccc(-c2nnc(Cc3ccc4ccccc4c3)[nH]2)c1,CHEMBL167343,6.4
+COc1cccc(-c2nnc(Cc3ccc(C)c(C)c3)[nH]2)c1,CHEMBL165760,7.05
+COc1cccc(-c2nnc(Cc3cccc(F)c3F)[nH]2)c1,CHEMBL166500,7.4
+COc1cccc(-c2nnc(Cc3cccc(Br)c3)[nH]2)c1,CHEMBL168892,7.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2304158,8.46
+CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319539,8.12
+O=C(CCCCC(=O)OCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95229,7.78
+CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98828,7.47
+NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319941,7.25
+NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319976,7.99
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL97748,8.16
+O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97753,8.94
+C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2111571,6.84
+Clc1ccc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL98512,6.7
+CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98570,8.44
+O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL100382,7.55
+C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112381,7.53
+COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97279,7.54
+COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL317373,7.55
+O=C(Cc1ccccc1I)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL330377,7.76
+CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)(c1ccccc1)c1ccccc1,CHEMBL100426,6.34
+C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL411692,7.7
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL317580,7.92
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1I,CHEMBL94968,7.98
+O=C(Cc1cccc(I)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97307,8.01
+C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL98464,7.95
+NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97961,8.12
+O=C(Cc1ccc(I)cc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95820,8.0
+O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329284,8.03
+C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112385,7.73
+NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97700,8.95
+COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97484,8.13
+O=C(/C=C/c1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95706,7.22
+CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318501,7.95
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285819,7.152
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL420705,5.52
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCCC2)[C@@H](O)[C@H]1O,CHEMBL2113489,5.6
+CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113492,6.22
+C#CC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1791423,5.68
+CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL277041,5.94
+CO/C(=C\c1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL72613,4.77
+CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112484,5.15
+CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL321178,4.64
+CCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL107155,4.54
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL108797,4.37
+CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL322332,4.56
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL100071,4.468
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1,CHEMBL108753,5.62
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1CC,CHEMBL105764,4.75
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL133566,6.71
+Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374685,7.77
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL609244,8.01
+CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607772,6.44
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc([N+](=O)[O-])cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604234,7.67
+CCCOCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609543,7.97
+CC(C)CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609049,6.89
+CCC(CC)CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608177,6.28
+Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL611289,7.21
+Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL608461,7.96
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604023,6.95
+Nc1nc(C#CC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL609493,8.0
+CCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607775,8.12
+CCCOCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609825,7.99
+Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426928,7.01
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccco4)nc32)[C@H](O)[C@@H]1O,CHEMBL605056,6.89
+COc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL608463,6.49
+CCC(CC)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL610989,5.34
+COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL610138,7.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223270,6.92
+COCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608460,7.06
+Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225593,7.1
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604851,8.8
+CCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113507,8.27
+Nc1nc(OCCC2CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL612214,6.92
+Nc1nc(OCCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610992,7.66
+Nc1nc(OCCCCCc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610988,7.28
+Nc1nc(OCCc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608949,7.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113450,8.92
+Nc1nc(Oc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611900,5.24
+Nc1nc(OCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374151,5.92
+Nc1nc(OCCc2ccccc2Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608351,7.25
+Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1950553,7.66
+CCOCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608947,7.89
+C[C@@H](CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1)c1ccccc1,CHEMBL345286,5.77
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccnc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603812,6.63
+CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL3350613,8.66
+Nc1nc(OCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387354,7.66
+Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1807815,6.0
+COc1cc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC,CHEMBL608063,6.48
+CC(C)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609544,6.15
+CCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL606230,7.67
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL611288,8.35
+CCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611293,6.57
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(COC(C)=O)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL608948,8.21
+Nc1nc(OCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607614,5.49
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccncc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603389,7.06
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(CC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL610990,7.35
+Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375190,6.96
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CN(C)CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL610993,7.15
+Nc1nc(C#CCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113500,7.43
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(CO)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL611583,9.32
+Nc1nc(C#CC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113504,7.92
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605685,7.44
+Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611290,7.41
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4nccs4)nc32)[C@H](O)[C@@H]1O,CHEMBL605265,7.38
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL611586,8.11
+Nc1nc(CO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608753,7.69
+Nc1nc(C#CCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610651,8.19
+CC[C@H](COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1,CHEMBL612215,6.37
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605691,7.09
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(N)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606315,5.82
+CCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611582,8.55
+Nc1nc(CCO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608181,7.4
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL607901,5.95
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(CC(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL611291,8.05
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CC#N)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605264,7.26
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604849,7.28
+Nc1nc(OCc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608650,5.66
+COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1OC,CHEMBL607773,7.4
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccc(C=O)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL605055,6.75
+CCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611899,6.82
+Nc1nc(OCCCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608464,7.74
+CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL223846,5.82
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccs4)nc32)[C@H](O)[C@@H]1O,CHEMBL604649,7.71
+CC(C)Oc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608462,5.13
+C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607728,7.42
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(OCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL60860,7.38
+Nc1nc(C#CCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113499,8.64
+Nc1nc(C#CCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608298,7.59
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccc5ccccc45)nc32)[C@H](O)[C@@H]1O,CHEMBL605057,6.31
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCn4ccnc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606319,7.78
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603602,7.69
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(Cl)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL57706,8.12
+Nc1nc(OCCO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611585,6.16
+COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607613,7.44
+CCCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608182,6.8
+Nc1nc(OCCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387324,6.77
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCOCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604440,7.56
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(C(=O)O)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL612216,7.7
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(F)(F)F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604647,6.5
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL606318,7.05
+Nc1nc(C#CCCC2CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610362,8.47
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccccc4C=O)nc32)[C@H](O)[C@@H]1O,CHEMBL605473,5.94
+Nc1nc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113493,6.54
+Nc1cc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113502,6.36
+OC[C@H]1OC(n2cnc3c(NC4CCCC4)nccc32)[C@H](O)[C@@H]1O,CHEMBL610646,5.0
+O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113491,6.68
+O=[N+]([O-])c1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113488,5.84
+O=[N+]([O-])c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113490,5.45
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O,CHEMBL273094,7.2
+CCCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL34762,7.24
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL315984,5.32
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F,CHEMBL283013,4.06
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F,CHEMBL105672,4.45
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCO,CHEMBL159631,5.06
+CCCOC(=O)c1c(-c2ccccc2)nc(CCO)c(C(=O)SCC)c1CCC,CHEMBL352083,4.54
+CCCc1c2c(nc(-c3ccccc3)c1C(=O)OCC)CCSC2=O,CHEMBL163488,4.36
+CCCOC(=O)c1c(-c2ccccc2)nc(CCF)c(C(=O)SCC)c1CCC,CHEMBL347423,4.51
+CCCOC(=O)c1c(-c2cccc(F)c2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL164302,4.55
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCO,CHEMBL162666,7.99
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F,CHEMBL164200,4.85
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCSC2=O,CHEMBL348766,4.17
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCF)c1CCC,CHEMBL163743,4.61
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL111545,5.69
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCN1C(=O)c2ccccc2C1=O,CHEMBL349191,5.94
+CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC,CHEMBL164321,5.13
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCF,CHEMBL164210,4.56
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF,CHEMBL422184,5.01
+CCCOC(=O)c1c(-c2ccccc2)nc(CCOCc2ccccc2)c(C(=O)SCC)c1CCC,CHEMBL163626,7.59
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CC,CHEMBL321845,5.21
+CCCOC(=O)c1c(-c2ccccc2F)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL163126,5.06
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCO)c1CCC,CHEMBL350988,5.25
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC(F)(F)F)c1CCC,CHEMBL2112931,5.21
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL137950,5.77
+CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL141154,5.55
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL16867,8.95
+Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL423542,9.23
+COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL422820,5.85
+CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL137879,7.95
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,7.69
+CCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1,CHEMBL302765,5.7
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL342906,5.49
+CCNC(=O)[C@H]1C[C@@H](n2cnc3c(N)nc(C#Cc4nccs4)nc32)[C@H](OC)[C@@H]1OC,CHEMBL607375,7.38
+CCNC(=O)[C@H]1C[C@@H](n2cnc3c(N)nc(C#Cc4ccc(C=O)cc4)nc32)[C@H](OC)[C@@H]1OC,CHEMBL607376,8.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,6.26
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL16908,5.35
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)nc2n(CC)c1=O,CHEMBL16866,7.15
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,6.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,5.657
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,5.37
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17202,6.84
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL444281,7.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,6.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,6.04
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)nc2n(CCC)c1=O,CHEMBL16984,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275360,6.17
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,6.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,6.02
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,6.1
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL16677,7.34
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,6.01
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,5.93
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,6.27
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275427,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,6.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,6.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,7.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275606,6.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16931,6.66
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,6.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)nc2n(CCC)c1=O,CHEMBL27043,7.12
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL27081,6.9
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,5.56
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17167,7.01
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)nc2n(CC)c1=O,CHEMBL17141,5.86
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL432664,6.895
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)SCC)C1C#Cc1ccccc1,CHEMBL328895,5.29
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1,CHEMBL2063640,5.56
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C#Cc1ccccc1,CHEMBL2112340,4.42
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1,CHEMBL276854,4.35
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O,CHEMBL2070507,7.31
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2113435,6.39
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113421,6.89
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL519809,6.48
+CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606095,6.8
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O,CHEMBL2070508,6.21
+CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113436,5.87
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL261482,7.92
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCl)[C@@H](O)[C@H]1O,CHEMBL2070399,6.39
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113434,6.21
+CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1235128,6.26
+CCNC(=S)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113431,6.89
+OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL388757,6.34
+CCSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113428,5.97
+CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113429,5.1
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1O,CHEMBL2113433,6.19
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL2113422,6.34
+CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113427,5.74
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113425,4.99
+O=C(Nc1nc(-c2ccccn2)cs1)C1CCCC1,CHEMBL162808,5.89
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL305322,5.635
+COC1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1,CHEMBL165971,5.71
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1,CHEMBL165783,5.36
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1,CHEMBL164087,5.06
+O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1,CHEMBL164422,6.04
+O=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL354004,4.82
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL60156,5.72
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(O)cc1,CHEMBL164745,6.24
+O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1,CHEMBL163040,5.89
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27952,5.17
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,6.14
+Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL49935,5.67
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,6.22
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL284216,5.47
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL307199,7.41
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL477,7.52
+CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL337503,5.67
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL436180,4.94
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1,CHEMBL335740,5.11
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1,CHEMBL340552,4.48
+CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1,CHEMBL135569,4.92
+CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL274501,4.27
+CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C,CHEMBL337088,5.22
+CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL135356,4.73
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1,CHEMBL135361,4.68
+CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC,CHEMBL277079,4.25
+CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1,CHEMBL424079,5.13
+CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL293811,6.03
+C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL57983,6.19
+C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL57362,5.67
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCF)c1=O,CHEMBL2311146,6.09
+CCCCn1c(=O)[nH]c2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1=O,CHEMBL35094,5.42
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)[nH]c2c1=O,CHEMBL37875,6.54
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)OC)cc3)[nH]c2c1=O,CHEMBL284288,6.15
+CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL35415,5.92
+CCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL35701,6.47
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37082,5.73
+Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL284991,5.7
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)[nH]c2c1=O,CHEMBL37726,6.49
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL416417,5.67
+CCCn1c(=O)c2[nH]c(-c3ccc(Br)cc3)nc2n(CCC)c1=O,CHEMBL40055,7.41
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL38304,6.26
+O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1,CHEMBL285191,4.68
+CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O,CHEMBL2113345,5.23
+CCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL287129,5.74
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2c1=O,CHEMBL288459,6.44
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL416963,6.89
+C#CCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL286527,6.7
+CCCn1c(=O)[nH]c2nc(C3CCCC3)[nH]c2c1=O,CHEMBL37243,6.24
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCC)CC4)cc3)[nH]c2c1=O,CHEMBL37933,6.05
+CCCn1c(=O)c2[nH]c(-c3ccc(I)cc3)nc2n(CCC)c1=O,CHEMBL36963,7.85
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2c1=O,CHEMBL38193,6.32
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)[nH]c2c1=O,CHEMBL37050,6.35
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL136689,9.3
+Nc1nc(-c2cnn(CCc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL101663,5.65
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL319387,8.513
+Nc1nc(N/N=C\C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL102116,7.18
+Nc1nc(-n2cc(C(=O)NCc3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL97937,6.68
+CN(C)C(=O)Cn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL100513,4.68
+CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL317052,6.54
+CCCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL98659,7.3
+Nc1nc(-n2cc(C(=O)NC3CCCC3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL329712,7.22
+CCOC(=O)CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL318732,6.54
+Nc1nc(-c2cnn(Cc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL98278,5.79
+NC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL101383,6.46
+Nc1nc(-c2cnn(CCCc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL100348,5.89
+COc1ccc(-c2cnn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL318928,6.72
+CC(C)n1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL98221,5.41
+CCCCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL102035,5.59
+Nc1nc(-c2cnn(CC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL99983,6.66
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL98603,7.85
+CCOC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL101218,7.22
+Cc1ccc(-c2cnn(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2)cc1,CHEMBL98597,6.72
+Nc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL318483,6.41
+Nc1nc(-c2cnn(CCC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL99052,5.96
+CCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL99169,7.22
+CC(C)(C)c1ccc(Cn2cc(-c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)cn2)cc1,CHEMBL98802,5.28
+CCCCCCCCCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL98958,5.21
+CN(C)C(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL415118,6.85
+C=CCCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1,CHEMBL319608,6.33
+Nc1nc(-c2cnn(CCCC3CCCCC3)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL100876,5.58
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccncc3)nc21,CHEMBL2112805,5.73
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12,CHEMBL143955,5.89
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cc[n+]([O-])cc3)nc(N)c12,CHEMBL342281,5.23
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12,CHEMBL341573,5.27
+COC(=O)/C=C\Nc1cc(-c2ccncc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1,CHEMBL2112806,5.64
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cnccn3)nc(N)c12,CHEMBL359238,5.18
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21,CHEMBL79415,5.21
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12,CHEMBL142962,6.31
+Nc1nc2c(cnn2CCCc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL423852,7.35
+Nc1nc2c(cnn2CCc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL67134,7.23
+Nc1nc2c(cnn2CCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17121,8.62
+Nc1nc2c(cnn2CCCc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL67026,9.03
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OCO3)c2nc(-c3ccco3)nn12,CHEMBL307748,8.42
+Nc1nc2c(cnn2CCCc2ccc(O)c(O)c2)c2nc(-c3ccco3)nn12,CHEMBL63520,7.31
+Nc1nc2c(cnn2Cc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL66811,6.61
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1OC,CHEMBL69794,8.28
+Nc1nc2c(cnn2CCc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL67994,8.77
+Nc1nc2c(cnn2Cc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL416684,7.28
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(NC4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL341031,4.99
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL132960,8.03
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C,CHEMBL325983,4.55
+CCCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCCC)c1CC,CHEMBL108705,4.62
+COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1,CHEMBL148826,4.55
+O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,CHEMBL283196,5.88
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.16
+COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,CHEMBL293776,5.19
+COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,CHEMBL75772,5.19
+COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)c(OC)c1,CHEMBL75169,4.33
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL28,5.12
+COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC,CHEMBL348436,5.52
+COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,CHEMBL74852,4.45
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.57
+COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1OC,CHEMBL345778,4.45
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.46
+O=c1cc(-c2ccccc2)oc2cccc(O)c12,CHEMBL16807,5.21
+O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O,CHEMBL292917,5.92
+CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC,CHEMBL100003,4.94
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1C(F)(F)F,CHEMBL39632,4.68
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC,CHEMBL99744,5.06
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CHEMBL475534,4.64
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(c1)OCO2,CHEMBL101332,5.28
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1,CHEMBL418426,4.45
+COc1ccc(C2C=CN=CC2)cc1,CHEMBL102613,4.15
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(O)c(OC)c1,CHEMBL103419,4.25
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1ccccc1,CHEMBL2112411,4.31
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,CHEMBL1484,4.2
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)cc1,CHEMBL103787,4.9
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1C,CHEMBL100646,5.01
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C,CHEMBL100004,5.15
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1,CHEMBL1099207,4.74
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CCc1ccccc1,CHEMBL102138,5.17
+CCCCC1=C(C(=O)OCC)C(C)C(C(=O)OCC)=C(C)N1,CHEMBL103950,4.42
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,CHEMBL1428,4.35
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)CCC=C(C)C,CHEMBL101162,4.64
+CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL60962,6.61
+NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL79201,7.0
+CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL310796,6.88
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604019,8.37
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605690,8.15
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCSCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604026,8.23
+C#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113449,7.24
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CCC(=O)OC(C)(C)C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605478,6.13
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCN(C)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL603809,7.72
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603596,8.2
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603808,6.73
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL410873,8.66
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(CCC)c1=O,CHEMBL75093,7.385
+CCn1c(=O)c2c(nc(/C=C/c3cc(OC)c(OC)c(OC)c3)n2C)n(CC)c1=O,CHEMBL422399,8.415
+CCCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(CCC)c1=O,CHEMBL312079,8.065
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3OC)n2C)n(CC)c1=O,CHEMBL77691,8.985
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3OC)n2C)n(CC)c1=O,CHEMBL77699,8.535
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CC)c1=O,CHEMBL77698,8.935
+Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL202701,4.22
+Nc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL2079570,5.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113396,6.24
+C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL443485,6.22
+OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411066,6.89
+CC1CC(n2cnc3c(N)ncnc32)C(O)C1O,CHEMBL278403,5.37
+Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL1568,7.55
+Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL516197,4.62
+Nc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2079643,7.7
+OC[C@H]1O[C@@H](n2cnc3c(NC4COc5ccccc5O4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113474,6.53
+Nc1ncnc2c1ncn2C1C=CC(O)C1,CHEMBL17875,4.39
+Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,CHEMBL1619,4.69
+Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1775009,4.64
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F,CHEMBL3142980,6.05
+OC[C@H]1O[C@@H](n2cnc3c(NO)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113394,5.0
+Nc1nc(NCCc2ccccc2)nc2c1ncn2C1CC(O)C(O)C1O,CHEMBL278932,5.74
+Nc1cc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113392,6.79
+Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)S1,CHEMBL17765,4.89
+Nc1cc(Cl)nc2c1ncn2C1CCC(CO)O1,CHEMBL275433,4.26
+CNC(=O)[C@@]1(C)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113395,4.27
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O,CHEMBL471144,5.3
+Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O,CHEMBL2051948,5.07
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113475,5.21
+Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1,CHEMBL2112597,4.68
+NNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL236757,5.13
+CCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113473,4.94
+Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,CHEMBL129014,6.16
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C,CHEMBL337552,5.5
+CCOC(=O)C1=C(C)NC(c2ccc([N+](=O)[O-])cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL140693,4.4
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL142868,5.03
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc(N)cc1,CHEMBL419306,4.59
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccccc1,CHEMBL143471,4.8
+Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1,CHEMBL118923,7.01
+CON=c1[nH]c(Cl)nc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O,CHEMBL301169,5.33
+O[C@@H]1[C@@H](c2ccon2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL296135,5.72
+CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319971,7.42
+CCCn1c(=O)n2nc(-c3ccco3)nc2c2cc(Cl)ccc21,CHEMBL97383,5.16
+CC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318251,7.44
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL317382,6.56
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1cccc(I)c1,CHEMBL93932,6.51
+CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL317310,7.05
+CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL96041,7.04
+CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329722,6.97
+CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL313422,7.31
+O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL414023,5.36
+CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL78636,6.84
+CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL79223,5.89
+NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL80282,7.35
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O,CHEMBL73827,7.24
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CCC)c1=O,CHEMBL76931,8.09
+CCCn1c(=O)c2c(nc(/C=C/c3cc(OC)c(OC)cc3OC)n2C)n(CCC)c1=O,CHEMBL283847,6.77
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CCC)c1=O,CHEMBL78317,8.41
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3OC)n2C)n(CCC)c1=O,CHEMBL283937,8.17
+CCCn1c(=O)c2c(nc(/C=C/c3cc(OC)cc(OC)c3)n2C)n(CCC)c1=O,CHEMBL27215,8.21
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3OC)n2C)n(CCC)c1=O,CHEMBL78211,8.13
+CCC(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL133225,5.06
+CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL338723,5.36
+CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL131702,7.45
+CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133103,7.35
+CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133741,6.1
+CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133605,7.05
+CCCC(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL335013,5.35
+CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL134274,6.83
+Cn1cnc2c(N)ncnc21,CHEMBL65976,5.07
+OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NC4CCCCC4)ncnc32)O1,CHEMBL2112665,4.66
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,CHEMBL2112569,5.13
+OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1,CHEMBL2112619,4.73
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1O[C@H](C)[C@@H](O)[C@H]1O,CHEMBL607763,5.44
+C[C@H]1OC(n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL150197,5.0
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,CHEMBL2112664,4.24
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12,CHEMBL110426,5.48
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@H](Cc4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL609547,4.24
+CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12,CHEMBL109894,4.14
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@@H](c3ccccc3)N12,CHEMBL111729,4.96
+C[C@H]1N=C2c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@@H]1c1ccccc1,CHEMBL609247,4.26
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@@H](Cc4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL609546,4.87
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@@H](c4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL607912,4.76
+CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12,CHEMBL321240,5.8
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12,CHEMBL110749,4.35
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL104580,5.55
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCC(Sc5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL88439,6.33
+OC[C@H]1OC(n2cnc3c(NN4CCOCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL607753,4.71
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL313306,5.72
+OC[C@H]1OC(n2cnc3c(NN4CCCCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL610970,5.06
+OC[C@H](Cc1ccccc1)Nc1nc(I)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611882,5.87
+OC[C@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610971,6.31
+OC[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL612197,4.98
+CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)c1ccccc1,CHEMBL321536,6.41
+CC(C)C[C@H](CO)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608330,4.52
+CCCn1c(=O)c2[nH]c(C3CC3)nc2n(CCC)c1=O,CHEMBL53737,6.15
+Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(-c3ccco3)nn12,CHEMBL278906,8.92
+Nc1nc2c(nnn2Cc2cccc(F)c2)c2nc(-c3ccco3)nn12,CHEMBL83574,8.31
+Nc1nc2c(nnn2CCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL85864,8.16
+Nc1nc2c(nnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,CHEMBL83235,7.86
+CC(C)CCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL86186,7.92
+Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL277589,7.0
+Nc1nc2c(nnn2Cc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL82901,8.34
+Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(-c3ccco3)nn12,CHEMBL315562,8.6
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,8.62
+CCCCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL17094,8.05
+Nc1nc2c(nnn2Cc2ccccc2F)c2nc(-c3ccco3)nn12,CHEMBL85973,7.98
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,8.72
+CCOC(=O)c1sc(SC)c2c1CCCC2O,CHEMBL337243,4.47
+CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O,CHEMBL87496,5.87
+Nc1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12,CHEMBL303198,7.68
+CCSc1sc(C(=O)OC)c2c1C(=O)CCC2,CHEMBL337629,5.25
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,4.44
+CCCN1CN(CCC)c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2C1=O,CHEMBL130162,7.22
+CCCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130545,4.81
+CCOC(=O)c1sc(SCC)c2c1CC(C)(C)CC2=O,CHEMBL2112674,4.62
+C=CCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130787,5.22
+CCOC(=O)c1sc(SC)c2c1CCCC2=O,CHEMBL335334,5.44
+CCOC(=O)CSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130707,4.59
+CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O,CHEMBL131133,5.33
+CCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130975,5.33
+CCOC(=O)c1sc(NN)c2c1CCCC2=O,CHEMBL337081,4.44
+Nc1nc2ccccc2n2cc(-c3ccccc3)nc12,CHEMBL132118,6.54
+O=C(O)c1sc(SCc2ccccc2)c2c1CCCC2=O,CHEMBL336968,4.82
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113628,6.54
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4C(F)(F)F)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113632,5.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4OC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113616,5.94
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113637,5.87
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113629,5.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113624,5.27
+CCCCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1O,CHEMBL2113621,5.51
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL607941,5.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113572,6.38
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113633,5.41
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113634,6.25
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113625,6.21
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113630,5.47
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113636,5.06
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608207,5.32
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NC(C)(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113623,5.44
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113631,5.83
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113626,6.45
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113635,5.86
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113627,5.17
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113622,6.28
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4I)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113615,6.36
+CCCCn1c(=O)n(C(=O)c2ccccc2)c(=O)c2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610700,5.35
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)N(C)C)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610372,4.27
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(N)=O)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL608657,4.26
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610956,4.42
+CCCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCCC)c1=O,CHEMBL610095,4.33
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610417,4.71
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCC)c1=S,CHEMBL608956,5.37
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(Cc2ccccc2)c1=O,CHEMBL608945,5.06
+CCC(C)Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL440458,7.92
+CC(C)(C)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL280067,6.59
+Nc1nc2c(cnn2CCO)c2nc(-c3ccco3)nn12,CHEMBL16508,7.11
+Nc1nc2c(cnn2CCN2CCOCC2)c2nc(-c3ccco3)nn12,CHEMBL275636,8.25
+OCCn1ncc2c1nc(NCc1ccccc1)n1nc(-c3ccco3)nc21,CHEMBL16692,6.78
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,7.65
+Nc1nc2c(cnn2-c2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL16509,7.64
+CC(C)Cc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL17013,7.66
+Nc1nc2c(cnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,CHEMBL17302,7.92
+Nc1nc2c(cnn2CCCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL273590,7.68
+CCCCCCc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113529,6.87
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113528,8.8
+CCCC/C=C\c1nc(N)c2ncn(C3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL611256,7.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113526,6.63
+CCCC/C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113527,6.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C\CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113525,7.29
+CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccccc3)oc2c1,CHEMBL149938,4.25
+CCn1c2c(c3cc4c(cc3c1=O)OCO4)C(=O)CCC2,CHEMBL351246,5.16
+COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C,CHEMBL349609,5.19
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,6.02
+O=C1c2ccccc2-c2cc3c(cc21)OCO3,CHEMBL348920,4.08
+COc1cc2c3c(oc(=O)c2cc1OC)CCCC3=O,CHEMBL165387,4.52
+CC(c1ccccc1)N1C(=O)C2(CCCC2)c2c1[nH]cnc2=O,CHEMBL314104,4.05
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N)c12,CHEMBL82289,5.43
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12,CHEMBL83863,4.79
+CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc21,CHEMBL84331,4.56
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12,CHEMBL311341,4.52
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12,CHEMBL79980,5.28
+Nc1nc(-c2ccccc2)nc2c1c1ccccc1n2-c1ccccc1,CHEMBL312629,5.08
+Cc1ccc([C@@H](C)n2c3ccccc3c3c(N)nc(-c4ccccc4)nc32)cc1,CHEMBL310728,4.67
+COc1ccc(-c2nc(N)c3c(C)c(C)n([C@H](C)c4ccccc4)c3n2)cc1,CHEMBL311470,5.0
+O=C1N(c2ccccc2)c2[nH]cnc(=O)c2C12CCCC2,CHEMBL312619,4.76
+Nc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113561,6.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCN)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950647,8.24
+Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL1256714,6.76
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113562,5.39
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(SC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113557,5.49
+Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O,CHEMBL24759,4.34
+CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL423239,6.2
+CCCCn1c(=O)c2[nH]cnc2n(Cc2ccccc2)c1=O,CHEMBL320786,5.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CNCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL112669,6.8
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL114886,8.0
+CCCCn1c(=O)c2[nH]c(CCC(=O)O)nc2n(CCCC)c1=O,CHEMBL115608,4.14
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL114760,6.34
+CCCCn1c(=O)c2[nH]c(/C=C/C(=O)O)nc2n(CCCC)c1=O,CHEMBL113986,4.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(Cc2ccc(N)c(I)c2)c1=O,CHEMBL355370,6.15
+Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(C)c1=S,CHEMBL114745,4.17
+CCCCn1c(=O)c2c(nc(/C=C/C(=O)O)n2C)n(CCCC)c1=O,CHEMBL327016,4.63
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCCCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL325948,8.14
+CCCCn1c(=O)c2[nH]cnc2n(CCCC)c1=O,CHEMBL114770,4.53
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL419403,6.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=S,CHEMBL294463,6.65
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)OCN(CC(=O)O)C(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2n(CCC)c1=O,CHEMBL114975,6.48
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL25976,7.89
+CCCCn1c(=O)c2c(nc(/C=C/C(=O)OC)n2C)n(CCCC)c1=O,CHEMBL333143,5.23
+CCCCn1c(=O)c2[nH]c(CCCCC(=O)O)nc2n(CCCC)c1=O,CHEMBL116874,4.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CN(CC(=O)O)C(=O)CCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL112034,5.04
+Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12,CHEMBL286947,7.6
+Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12,CHEMBL27448,5.48
+Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12,CHEMBL286479,5.57
+Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12,CHEMBL27773,5.53
+COc1cccc(-n2cnc3nc4ccccc4nc32)c1,CHEMBL281888,4.74
+Cc1nn(-c2ccccc2)c2[nH]c3ccccc3c(=O)c12,CHEMBL27070,5.43
+Cc1nn(-c2ccccc2)c2oc3cc(O)ccc3c(=O)c12,CHEMBL283260,5.43
+COc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1,CHEMBL26991,5.86
+COc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)c1,CHEMBL26488,6.15
+Cc1nn(-c2ccc(Cl)c(N)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL283478,5.35
+Cc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL282806,5.82
+Cc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12,CHEMBL441419,5.93
+COc1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1,CHEMBL27825,5.79
+Cc1nn(-c2cccc(N)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL27935,5.29
+O=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1,CHEMBL280997,5.53
+COc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1,CHEMBL27876,5.91
+Cc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12,CHEMBL281327,6.04
+Cn1cnc2c(NC3CCCC3)ncnc21,CHEMBL48278,4.96
+Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc21,CHEMBL2113707,4.71
+CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1,CHEMBL2113685,4.1
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]2OC(=S)O[C@H]12,CHEMBL2113701,6.06
+CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1,CHEMBL48461,4.96
+Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc21,CHEMBL2113686,4.94
+CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113693,5.45
+CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL2113397,5.47
+CNC(=O)[C@@H]1C[C@H]([N-][N+]#N)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113698,4.55
+CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113699,4.8
+C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2112077,4.38
+O=C(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1cccc(I)c1,CHEMBL49758,5.39
+Cn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113690,5.65
+O=C(Nc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@H]1O)c1cccc(I)c1,CHEMBL2113415,5.54
+CNC(=O)[C@@H]1C[C@@H](F)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113694,4.01
+CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113697,4.38
+N#CCCCn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113704,4.73
+CC(O)[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1791403,4.26
+Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL2113702,5.57
+OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113688,4.72
+CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113692,5.0
+CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1,CHEMBL47437,5.76
+OCCn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113689,4.82
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL2112076,4.05
+CCn1cnc2c(NC3CCCC3)ncnc21,CHEMBL301574,4.77
+COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113691,5.91
+CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113687,5.79
+CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113703,5.33
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113400,6.33
+Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc21,CHEMBL2113700,5.49
+Nc1nc(N/N=C/C=C/c2ccco2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113555,7.08
+Cc1ccc(/C=N/Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL611571,7.54
+Nc1nc(N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113556,7.64
+CN(C)c1ccc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113553,6.77
+COc1ccccc1/C=C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113554,6.42
+COc1ccc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113560,7.23
+Nc1nc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113558,7.27
+COc1cc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O,CHEMBL2113559,7.57
+Nc1nc(N/N=C/C=C/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113563,7.42
+Nc1nc(N/N=C/c2ccco2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113564,7.38
+C#CCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL282038,5.092
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CCC)c1=O,CHEMBL342188,8.29
+C#CCn1c(=O)c2c(nc(/C=C/c3ccsc3)n2C)n(C)c1=O,CHEMBL334873,7.62
+COc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1OC,CHEMBL280982,7.74
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(Cc2ccccc2)c1=O,CHEMBL136364,7.17
+C#CCn1c(=O)c2c(nc(/C=C/c3ccc4c(c3)OCO4)n2C)n(C)c1=O,CHEMBL342229,7.46
+CCCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,CHEMBL138950,7.51
+C#CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2CC(C)C,CHEMBL139013,5.46
+C#CCn1c(=O)c2c(nc(-c3cccs3)n2C)n(C)c1=O,CHEMBL422110,5.74
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2CC#C)n(C)c1=O,CHEMBL343395,7.21
+C#CCn1c(=O)c2c(nc(/C=C/c3ccco3)n2C)n(C)c1=O,CHEMBL345060,6.6
+C=CCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL137508,7.2
+C#CCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(CC(C)C)c1=O,CHEMBL138833,7.34
+Cn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL26897,7.03
+C#CCn1c(=O)c2[nH]c(/C=C/c3ccc4c(c3)OCO4)nc2n(C)c1=O,CHEMBL343527,6.77
+C#CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(C)c1=O,CHEMBL136394,7.82
+C#CCn1c(=O)c2c(nc(/C=C/c3cccs3)n2C)n(C)c1=O,CHEMBL344026,6.47
+C#CCn1c(=O)c2[nH]cnc2n(Cc2ccccc2)c1=O,CHEMBL137944,6.06
+CC(C)Cn1c(=O)n(C)c(=O)c2c1nc(-c1ccccc1)n2C,CHEMBL342193,4.85
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CC(C)C)c1=O,CHEMBL137199,7.82
+C#CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL115940,5.335
+C#CCn1c(=O)c2c(nc(C3CCCCC3)n2C)n(C)c1=O,CHEMBL136199,5.35
+C#CCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(C)c1=O,CHEMBL137438,6.39
+Cn1c(=O)c2c(nc(C3CCCCC3)n2C)n(C)c1=O,CHEMBL281811,5.03
+CSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113602,5.41
+Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113519,5.38
+CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113606,5.74
+CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113581,5.82
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113601,6.66
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113595,7.22
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113604,6.77
+CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113600,5.92
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113582,6.09
+CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113580,6.3
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113605,6.96
+CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113592,7.7
+CSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113588,6.66
+CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113593,6.36
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27376,5.78
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL280580,6.26
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C[C@@H]2O,CHEMBL28057,4.6
+CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27443,7.0
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL26759,5.72
+N#[N+][N-][C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112633,5.62
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc(Cl)cc1,CHEMBL2112627,6.24
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc([N+](=O)[O-])cc1,CHEMBL2112631,5.16
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)CCOc2ccccc2)[C@H]1O,CHEMBL2112623,4.93
+Nc1ncnc2c1ncn2C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O,CHEMBL122345,5.33
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccccc1,CHEMBL2112620,5.56
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O,CHEMBL2112622,5.75
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O,CHEMBL2112612,5.61
+Cc1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1C,CHEMBL52648,5.43
+Cc1ccc(C(=O)N[C@H]2C(CO)OC(n3cnc4c(NC5CCCC5)ncnc43)C2O)cc1,CHEMBL122746,6.1
+O=C(CCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112625,5.1
+O=C(CCCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112626,6.19
+O=C(CCCCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112632,5.37
+COc1ccc(C(=O)N[C@H]2C(CO)OC(n3cnc4c(NC5CCCC5)ncnc43)C2O)cc1,CHEMBL340299,6.11
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc(Cl)c(Cl)c1,CHEMBL2112630,5.69
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL2113388,5.13
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL73809,5.47
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113479,6.28
+CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113530,6.07
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113541,6.43
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113537,6.05
+COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113536,6.58
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113535,6.44
+CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113544,6.38
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113533,5.86
+COC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113545,6.55
+CCOC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113548,6.18
+CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113547,5.76
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113534,6.13
+CN1C(=O)N2CCCCN=C2c2c1ncn2C,CHEMBL116382,4.73
+Cn1cnc2c1C1=NCCN1C(=O)N2,CHEMBL326789,4.39
+CCC1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL118082,4.72
+CC[C@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL2112319,4.79
+CC[C@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1,CHEMBL1744045,6.17
+CC[C@H]1CN2C(=O)N(C)c3ncn(C)c3C2=N1,CHEMBL1788229,4.96
+CC[C@@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2112561,6.26
+CC1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL117999,4.19
+CN1C(=O)N2CCN=C2c2c1ncn2C,CHEMBL325043,4.68
+CN1C(=O)N2CCCN=C2c2c1ncn2C,CHEMBL323723,4.55
+C[C@@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL1788233,4.3
+C[C@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL2112320,4.92
+Cn1cnc2c1C1=NCCN1C(=O)N2Cc1ccccc1,CHEMBL117317,4.79
+CN1C(=O)N2CCCCCN=C2c2c1ncn2C,CHEMBL117513,4.29
+Cn1c(=O)c2[nH]c(/C=C/c3ccccc3)nc2n(C)c1=O,CHEMBL282993,6.54
+CCC1CN2C(=O)N(C)c3ncn(C)c3C2=N1,CHEMBL432242,4.79
+CC[C@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2111766,6.37
+CN1C(=O)N2CCN=C2c2c1nc(-c1ccccc1)n2C,CHEMBL117899,4.69
+CCC1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL118044,5.51
+CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL1788235,4.44
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1625681,5.68
+CC[C@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1788234,5.48
+CN1C(=O)N2CCCN=C2c2c1nc(Cl)n2C,CHEMBL323615,4.92
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1,CHEMBL1788230,6.05
+CC[C@@H]1CN2C(=O)N(C)c3ncn(C)c3C2=N1,CHEMBL2112318,4.55
+COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1OC,CHEMBL177355,8.14
+Cc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL177783,8.08
+COc1ccccc1-c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL177782,8.37
+Cc1ccccc1-c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL368208,7.66
+COc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL177660,8.3
+CC(C)c1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL179054,8.33
+COc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1OC,CHEMBL176061,7.66
+Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL369512,8.43
+COc1cc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc(OC)c1OC,CHEMBL367257,8.35
+Nc1nc(-c2ccccc2)cc2nc(-c3ccco3)nn12,CHEMBL174850,8.15
+COc1ccc(OC)c(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL359661,8.35
+COc1cccc(OC)c1-c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL426943,5.77
+COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,CHEMBL177758,8.14
+COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c(OC)c1,CHEMBL362034,8.54
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1,CHEMBL433790,8.55
+COCCOc1ccc(C2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1,CHEMBL367671,8.05
+COCCOc1cccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c1,CHEMBL175907,8.4
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1C#N,CHEMBL180211,8.96
+COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c(OC)c1OC,CHEMBL177537,8.35
+Nc1nc(-c2cccs2)cc2nc(-c3ccco3)nn12,CHEMBL362253,8.36
+Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12,CHEMBL180109,8.72
+Nc1nc(-c2cccnc2)cc2nc(-c3ccco3)nn12,CHEMBL178589,8.18
+Nc1nc(-c2ccccn2)cc2nc(-c3ccco3)nn12,CHEMBL177330,8.85
+Nc1nc(-c2cccc(CN3CCC(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12,CHEMBL175664,8.34
+N#Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL179238,8.27
+Nc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12,CHEMBL360446,8.55
+CN(CCc1ccccc1)Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL175824,8.44
+Nc1nc(-c2cccc(CN3CCN(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12,CHEMBL176155,8.34
+Nc1nc(-c2cccc(-c3ccccc3)c2)cc2nc(-c3ccco3)nn12,CHEMBL179644,8.26
+Nc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1,CHEMBL366905,8.3
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1,CHEMBL176244,8.57
+Nc1nc(-c2cccc(CN3CCC(c4ccc(F)cc4)CC3)c2)cc2nc(-c3ccco3)nn12,CHEMBL176550,8.13
+Nc1nc(-c2cccc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)cc2nc(-c3ccco3)nn12,CHEMBL175598,7.98
+Nc1nc(-c2cccc(CN3CCN(c4nccs4)CC3)c2)cc2nc(-c3ccco3)nn12,CHEMBL426952,8.62
+COCCOc1cc(F)c(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1,CHEMBL175706,8.19
+COCCOc1c(F)cc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1F,CHEMBL367282,8.66
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1OC,CHEMBL179167,8.48
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(Cl)c1,CHEMBL262924,8.54
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C#N)c1,CHEMBL360984,8.44
+COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C)c1,CHEMBL180278,8.57
+CCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)CC,CHEMBL181267,8.05
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccccc1,CHEMBL183181,7.92
+Nc1nc(C#CC(O)c2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL181268,6.47
+Nc1nc(C#CC(O)(c2ccccc2)C(F)(F)F)cn2nc(-c3ccco3)nc12,CHEMBL181689,7.13
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1,CHEMBL359463,8.96
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccncc1,CHEMBL360136,7.6
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc([N+]2=CC=NC2)cc1,CHEMBL182486,7.48
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1csc2ccccc12,CHEMBL182286,7.48
+Nc1nc(C#CC(O)c2csc3ccccc23)cn2nc(-c3ccco3)nc12,CHEMBL362031,6.59
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc(O)cc1,CHEMBL361819,7.38
+CN(C)c1ccc(C(O)(C#Cc2cn3nc(-c4ccco4)nc3c(N)n2)C(F)(F)F)cc1,CHEMBL2113025,5.96
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1cccc(C(F)(F)F)c1F,CHEMBL360652,5.8
+Nc1nc(C#CC(O)C2(O)CCCC2)cn2nc(-c3ccco3)nc12,CHEMBL180887,7.52
+Nc1nc(C#CC(O)C2(O)CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL367572,8.14
+Nc1nc(C#CC(O)C2(O)CCC2)cn2nc(-c3ccco3)nc12,CHEMBL183674,7.92
+Nc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL361209,6.41
+Nc1nc(C#CCOc2ccc(F)c(Cl)c2)cn2nc(-c3ccco3)nc12,CHEMBL2113017,6.51
+Nc1nc(C#CCOc2cccnc2)cn2nc(-c3ccco3)nc12,CHEMBL180750,7.04
+Cn1nc(OCC#Cc2cn3nc(-c4ccco4)nc3c(N)n2)cc1C(F)(F)F,CHEMBL2113018,7.05
+CC(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)OC(C)(C)C,CHEMBL183518,7.43
+Nc1nc(C#CC2(N)CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL182612,6.68
+Nc1nc(C#CCC2CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL179947,6.55
+CC(C)CCC(C)(O)C#Cc1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL426053,8.43
+CC(C)C(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)C(C)C,CHEMBL181266,8.15
+Nc1nc(N2CCN(Cc3ccco3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188564,7.33
+Nc1nc(N2CCN(Cc3cscn3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL360178,7.27
+Nc1nc(N2CCN(Cc3cc4ccccc4o3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188898,7.13
+Nc1nc(N2CCN(Cc3ccsc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188470,7.12
+CSc1sccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL364988,7.46
+Cc1ncc(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)[nH]1,CHEMBL186293,6.66
+Cc1nc[nH]c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL362513,6.89
+Cc1cc(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)no1,CHEMBL175927,6.74
+Cc1noc(C)c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL368619,7.74
+Cn1cc(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c(Cl)n1,CHEMBL189453,7.24
+Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl,CHEMBL189192,7.85
+Nc1nc(N2CCN(Cc3ccccn3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL361680,6.96
+Nc1nc(N2CCN(Cc3cccnc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL445139,6.55
+Nc1nc(N2CCN(Cc3ccncc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186003,6.85
+Cc1ncccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL189293,7.32
+Cc1ccnc(C)c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL186234,7.44
+Nc1nc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL187586,8.7
+Nc1nc(N2CCN(Cc3ccc4ccccc4n3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL365303,7.14
+Nc1nc(N2CCN(Cc3ccnc4ccccc34)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186023,7.07
+Nc1nc(N2CCN(Cc3cnc4ccccc4c3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL361275,7.24
+Nc1nc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL185967,8.22
+Cc1ccc2nc(Cl)c(CN3CCN(c4nc(N)n5nc(-c6ccco6)nc5n4)CC3)cc2c1,CHEMBL186027,7.92
+Nc1nc(N2CCN(c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL185888,6.72
+Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188897,6.85
+Nc1nc(N2CCN(CCc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186725,5.82
+Nc1nc(N2CCN(CCCc3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188305,5.89
+COc1ccccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1,CHEMBL188982,6.42
+Nc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL177711,6.74
+Nc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL368488,5.92
+Nc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186322,5.96
+Nc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186046,6.94
+Nc1nc(N2CCN(Cc3c(Cl)ccc(Cl)c3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188424,7.74
+Nc1nc(N2CCN(Cc3c(F)cccc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL426068,7.8
+Nc1nc(N2CCN(Cc3c(F)ccc(F)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL187366,8.0
+Nc1nc(N2CCN(Cc3c(F)ccc(Cl)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL359772,7.52
+Nc1nc(N2CCN(Cc3c(Cl)ccc(F)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186022,8.3
+Nc1nc(N2CCN(Cc3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL173941,8.52
+Nc1nc(N2CCN(Cc3cnc[nH]3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL364612,6.49
+Nc1nc(N2CCN(Cc3csnn3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186885,7.02
+Nc1nc(N2CCN(c3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL360619,7.54
+Nc1nc(NCCN2CCN(c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL408465,7.66
+Nc1nc(NCCCN2CCN(c3ccccc3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL187810,6.72
+Nc1nc(NCCN2CCN(c3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL440381,7.62
+Nc1nc(NCCCN2CCN(c3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL184655,7.0
+Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL184061,8.15
+Nc1nc(NCCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL184641,7.03
+CN(CCN1CCN(c2ccccc2)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL184678,7.96
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL184309,8.4
+Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL361687,7.26
+Nc1nc(NCCN2CCN(c3c(F)cc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL185107,7.04
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL363660,8.19
+CN(CCN1CCN(c2c(F)cc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL187071,7.62
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(Cc2ccccc2)c1=O,CHEMBL362604,6.29
+Cc1cc(CN2CCCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)no1,CHEMBL175569,7.28
+Cc1cc(CNCCNc2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL175713,6.7
+Cc1cc(CN(C)CCN(C)c2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL177449,6.89
+Cc1cc(CN(C)CCNc2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL177654,7.1
+Cc1cc(CN2CCC(Nc3nc(N)n4nc(-c5ccco5)nc4n3)CC2)no1,CHEMBL368092,6.57
+Cc1cc(CN2CCCC(Nc3nc(N)n4nc(-c5ccco5)nc4n3)C2)no1,CHEMBL177710,6.17
+Cc1cc(CN2CCC(CNc3nc(N)n4nc(-c5ccco5)nc4n3)CC2)no1,CHEMBL368983,6.25
+Cc1cc(CN2CCCC(CNc3nc(N)n4nc(-c5ccco5)nc4n3)C2)no1,CHEMBL425685,6.82
+Cc1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL177459,7.6
+Cc1cc(CN2CCC[C@H]2CNc2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL2112968,7.19
+Cc1cc(CN2CCC[C@@H]2CN(C)c2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL353323,7.92
+Cc1cc(CN2CCCC[C@@H]2CN(C)c2nc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL366472,7.85
+Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL359641,7.41
+Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(-c3ccco3)nn12,CHEMBL175645,7.85
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2)nc2nc(-c3ccco3)nn12,CHEMBL175298,7.41
+Nc1nc(NC[C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2)nc2nc(-c3ccco3)nn12,CHEMBL368827,7.24
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL368070,7.96
+Cc1cccc(CN2CCC[C@@H]2CNc2nc(N)n3nc(-c4ccco4)nc3n2)c1,CHEMBL175818,7.52
+Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2)nc2nc(-c3ccco3)nn12,CHEMBL177609,7.6
+Nc1nc(NC[C@H]2CCCN2Cc2cc(F)cc(F)c2)nc2nc(-c3ccco3)nn12,CHEMBL368620,7.44
+Nc1nc(NC[C@H]2CCCN2Cc2cc(F)ccc2F)nc2nc(-c3ccco3)nn12,CHEMBL368382,7.52
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(-c3ccco3)nn12,CHEMBL177943,7.85
+Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(-c3ccco3)nn12,CHEMBL177532,8.3
+Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(-c3ccco3)nn12,CHEMBL173993,8.15
+Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(-c3ccco3)nn12,CHEMBL173672,8.42
+Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(-c3ccco3)nn12,CHEMBL177859,8.1
+Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(-c3ccco3)nn12,CHEMBL177446,8.4
+Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(-c3ccco3)nn12,CHEMBL176039,8.7
+Nc1nc(NC[C@H]2CCCN2Cc2cc(C(F)(F)F)ccc2F)nc2nc(-c3ccco3)nn12,CHEMBL176071,8.4
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(C(F)(F)F)cc2F)nc2nc(-c3ccco3)nn12,CHEMBL368201,8.3
+Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(-c3ccco3)nn12,CHEMBL177615,8.4
+Nc1nc(NC[C@H]2CCCN2Cc2c(C(F)(F)F)ccc(Cl)c2F)nc2nc(-c3ccco3)nn12,CHEMBL367593,8.1
+Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(-c3ccco3)nn12,CHEMBL175564,7.82
+Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(-c3ccco3)nn12,CHEMBL369070,8.15
+Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(-c3ccco3)nn12,CHEMBL426782,7.43
+Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL361229,6.29
+Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(-c4ccco4)nc3n2)c(Cl)n1,CHEMBL369373,8.15
+Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(-c3ccco3)nn12,CHEMBL369550,7.74
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(-c3ccco3)nn12,CHEMBL179478,8.52
+Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL177386,7.44
+Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12,CHEMBL174628,8.4
+Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(-c3ccco3)nn12,CHEMBL177539,7.92
+Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(-c3ccco3)nn12,CHEMBL177229,7.77
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CC2=CC(C)(C)N([O])C2(C)C)c1=O,CHEMBL607303,5.06
+CCCn1c(=O)c2[nH]c(C3=CC(C)(C)N([O])C3(C)C)nc2n(CCC)c1=O,CHEMBL607302,5.42
+CCCn1c(=O)c2[nH]c(C3CC(C)(C)N([O])C(C)(C)C3)nc2n(CCC)c1=O,CHEMBL607024,5.17
+CCCc1c(O)c2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2[nH]c1=O,CHEMBL607025,5.9
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)[nH]c2c1=O,CHEMBL2112962,6.32
+Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(-c3ccco3)nn12,CHEMBL183531,8.0
+Cc1cc(CN2CCC[C@@H]2CN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)no1,CHEMBL184411,7.72
+Nc1cc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL362743,6.18
+Nc1cc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(-c3ccco3)nn12,CHEMBL187058,6.73
+Nc1cc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL363235,6.83
+Nc1cc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(-c3ccco3)nn12,CHEMBL184233,6.95
+Nc1cc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL186594,6.4
+Cc1cc(CN2CCC[C@@H]2CNc2cc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL186562,7.36
+Nc1cc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12,CHEMBL362310,7.1
+Cc1cc(CN2CCC[C@@H]2CN(C)c2cc(N)n3nc(-c4ccco4)nc3n2)no1,CHEMBL360166,7.96
+Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(-c3ccco3)nn12,CHEMBL435099,7.74
+Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(-c3ccco3)nn12,CHEMBL360840,8.22
+Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)cc2nc(-c3ccco3)nn12,CHEMBL182754,6.51
+Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)cc2nc(-c3ccco3)nn12,CHEMBL185497,6.9
+Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)cc2nc(-c3ccco3)nn12,CHEMBL184602,6.72
+Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)cc2nc(-c3ccco3)nn12,CHEMBL182505,7.0
+Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)cc2nc(-c3ccco3)nn12,CHEMBL186960,6.44
+Cc1cc(CN2CCC[C@@H]2CNc2cc3nc(-c4ccco4)nn3c(N)n2)no1,CHEMBL184002,7.24
+CC(C)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL363605,6.17
+Nc1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL196623,6.2
+CC(=O)Nc1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL370880,6.8
+CC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL195988,7.12
+Nc1nc(-c2cccc([N+](=O)[O-])c2)cn2nc(-c3ccco3)nc12,CHEMBL194272,6.34
+CN(C)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL196680,6.85
+CCOC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL363416,6.43
+N#Cc1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL370840,6.8
+Nc1nc(-c2cccc(C(F)(F)F)c2)cn2nc(-c3ccco3)nc12,CHEMBL363646,6.66
+Nc1nc(-c2cccc(CO)c2)cn2nc(-c3ccco3)nc12,CHEMBL371260,6.33
+COc1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL371746,6.57
+CS(=O)(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL372622,6.96
+NC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL370454,6.96
+Nc1nc(-c2cccnc2)cn2nc(-c3ccco3)nc12,CHEMBL194036,6.34
+Nc1nc(-c2ccco2)cn2nc(-c3ccco3)nc12,CHEMBL371118,6.4
+Nc1nc(-c2cccc3ccccc23)cn2nc(-c3ccco3)nc12,CHEMBL193572,6.38
+Nc1nc(-c2cccc3cccnc23)cn2nc(-c3ccco3)nc12,CHEMBL364048,6.6
+Nc1nc(-c2cncnc2)cn2nc(-c3ccco3)nc12,CHEMBL194589,6.44
+CC(C)NC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL372616,6.85
+CN(C)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL425917,7.15
+CCN(CC)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL196320,9.0
+Nc1nc(-c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cn2nc(-c3ccco3)nc12,CHEMBL194244,6.17
+Nc1nc(-c2cccc(C(=O)N3CCN(c4ccncc4)CC3)c2)cn2nc(-c3ccco3)nc12,CHEMBL196104,6.14
+Nc1nc(-c2cccc(C(=O)N3CCOCC3)c2)cn2nc(-c3ccco3)nc12,CHEMBL194693,6.62
+Nc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2nc(-c3ccco3)nc12,CHEMBL383568,7.72
+Nc1nc(-c2cccc(C(=O)NCCc3ccc(O)cc3)c2)cn2nc(-c3ccco3)nc12,CHEMBL193733,6.74
+Nc1nc(-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cn2nc(-c3ccco3)nc12,CHEMBL196729,6.08
+Nc1nc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)cn2nc(-c3ccco3)nc12,CHEMBL194348,6.48
+CCCCNC(=O)c1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL426821,9.0
+Nc1nc(C(=O)NCc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL363377,8.7
+CN(Cc1ccccc1)C(=O)c1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL197249,7.57
+Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12,CHEMBL373026,9.0
+Nc1nc(C(=O)NCCCc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL363647,7.55
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)nc2n(C)c1=O,CHEMBL213878,6.74
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCO)cc3)nc2n(C)c1=O,CHEMBL377106,6.46
+CCCCNS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL208550,6.78
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,6.95
+CC(C)NS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL212626,6.55
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL212625,7.03
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209366,7.64
+CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3[nH]c(=O)n(CCC)c(=O)c3[nH]2)cc1,CHEMBL377246,7.38
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2c1=O,CHEMBL212217,6.49
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL378102,6.54
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL211521,6.53
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209230,7.57
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL450341,5.57
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216269,5.96
+CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL386974,5.61
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,5.9
+CCCn1c(=O)c2[nH]c(C34CCC(CC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL425457,5.05
+Nc1nc(NC[C@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12,CHEMBL223035,6.64
+Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12,CHEMBL222868,9.52
+COC(=O)c1nc(Cl)c(N2CCN3C[C@H](CNc4nc(N)n5nc(-c6ccco6)nc5n4)CC[C@@H]3C2)nc1N,CHEMBL223976,7.47
+Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(-c3ccco3)nn12,CHEMBL221947,6.64
+Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(-c3ccco3)nn12,CHEMBL222901,6.89
+Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4cc(F)cc(F)c4)CCN3C2)nc2nc(-c3ccco3)nn12,CHEMBL225462,7.31
+Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL222481,7.33
+Nc1nc(N2CCN3C[C@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221359,7.35
+Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222145,8.05
+Nc1nc(N2CCN3C[C@@H](CNCc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL224971,7.44
+Nc1nc(N2CCN3C[C@@H](CN(Cc4ccncc4)Cc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221573,8.52
+Nc1nc(N2CCN3C[C@@H](CNCc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL390976,7.29
+Nc1nc(N2CCN3C[C@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222478,8.4
+Nc1nc(N2CCN3C[C@@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL374149,8.7
+Nc1nc(N2CCN3C[C@@H](CN(Cc4ccccn4)Cc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373941,8.05
+Nc1nc(N2CCN3C[C@@H](CN(Cc4ccco4)Cc4ccco4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221613,7.33
+Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL446621,7.52
+Cc1nn(C)c(Cl)c1CN(Cc1c(C)nn(C)c1Cl)C[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL374276,6.74
+Nc1nc(N2CCN3C[C@@H](CNCc4ccc(F)cc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222097,8.7
+Nc1nc(N2CCN3C[C@@H](Cn4cnnn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222431,7.85
+Nc1nc(N2CCN3C[C@@H](Cn4cncn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221561,8.4
+Nc1nc(N2CCN3C[C@@H](Cn4ccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373560,9.52
+Nc1nc(N2CCN3C[C@@H](COc4ncnc5n[nH]cc45)CC[C@@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL2373304,8.3
+Nc1nc(N2CCN3C[C@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222676,7.43
+Nc1nc(N2CCN3C[C@@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222767,7.72
+Nc1nc(N2CCN3C[C@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221896,7.09
+Nc1nc(N2CCN3C[C@@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL375128,7.6
+Nc1cc(N2CCN3[C@@H](CCC[C@@H]3COc3cccnc3)C2)nc2nc(-c3ccco3)nn12,CHEMBL222532,7.1
+Nc1nc(N2CCN3C[C@@H](COc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222784,9.52
+Nc1nc(N2CCN3C[C@H](COc4cc5ccccc5cn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222783,6.89
+Nc1nc(N2CCN3C[C@@H](COc4cc5ccccc5cn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222701,7.44
+Nc1nc(N2CCN3C[C@H](COc4ccc5ccccc5n4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222530,8.15
+Nc1nc(N2CCN3C[C@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL387318,7.39
+Nc1nc(N2CCN3C[C@@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL449710,7.7
+Nc1nc(N2CCN3C[C@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222731,7.14
+Nc1nc(N2CCN3C[C@@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222590,8.22
+Nc1cc(N2CCN3[C@@H](CCC[C@@H]3COc3ccc4[nH]ccc4c3)C2)nc2nc(-c3ccco3)nn12,CHEMBL221507,7.12
+Nc1cc(N2CCN3[C@@H](CCC[C@@H]3COc3ccc4cccnc4c3)C2)nc2nc(-c3ccco3)nn12,CHEMBL222086,6.08
+Nc1nc(N2CCN3C[C@@H](COc4ccc5ncccc5c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL374881,9.22
+Nc1nc(N2CCN3C[C@@H](COc4ccc(F)cc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222446,7.15
+Nc1nc(N2CCN3C[C@@H](COc4ccc(F)cc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL223745,8.4
+Nc1nc(N2CCN3C[C@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221772,7.28
+Nc1nc(N2CCN3C[C@@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373700,9.7
+Nc1nc(N2CCN3C[C@@H](COc4ccccc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL223419,9.05
+COc1ccc(OC[C@@H]2CC[C@H]3CN(c4nc(N)n5nc(-c6ccco6)nc5n4)CCN3C2)cc1,CHEMBL387327,7.15
+COc1ccc(OC[C@H]2CC[C@H]3CN(c4nc(N)n5nc(-c6ccco6)nc5n4)CCN3C2)cc1,CHEMBL223252,7.46
+Nc1nc(N2CCN3[C@@H](CCC[C@@H]3COc3ccccc3)C2)nc2nc(-c3ccco3)nn12,CHEMBL376346,7.89
+Nc1nc(N2CCN3C[C@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222131,7.28
+Nc1cc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL375436,7.35
+Nc1nc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222921,7.68
+Nc1nc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)nc2nc(-c3ccco3)nn12,CHEMBL221615,8.52
+Nc1cc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)nc2nc(-c3ccco3)nn12,CHEMBL387319,6.21
+Nc1nc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)cc2nc(-c3ccco3)nn12,CHEMBL222641,6.96
+NC[C@@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL222589,8.7
+NC[C@@H]1CC[C@H]2CN(c3cc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL375772,6.43
+Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222266,7.15
+Nc1cc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL386501,6.07
+Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL376436,6.62
+NC[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL387328,7.8
+NC[C@H]1CC[C@H]2CN(c3cc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL387352,6.96
+NC[C@H]1CC[C@H]2CN(c3cc4nc(-c5ccco5)nn4c(N)n3)CCN2C1,CHEMBL426906,7.25
+Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL376712,7.35
+Nc1cc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL374800,6.64
+Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL223887,7.02
+Nc1nc(N2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL223883,6.31
+Nc1nc(N2CCN3CCC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221352,7.34
+Nc1cc(N2CCN3CCC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222374,6.77
+Nc1nc(N2CCN3CCC[C@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL2096851,6.96
+Nc1nc(N2CCN3CCC[C@@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL2096850,7.52
+Nc1nc(N2CCN3CCC[C@@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL426738,7.2
+Nc1nc(N2CCN3CCCCC3C2)nc2nc(-c3ccco3)nn12,CHEMBL439141,7.92
+Nc1cc(N2CCN3CCCCC3C2)nc2nc(-c3ccco3)nn12,CHEMBL375846,7.42
+Nc1nc(N2CCN3CCCCC3C2)cc2nc(-c3ccco3)nn12,CHEMBL222855,6.85
+OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL224024,5.58
+Oc1ccc(CSCc2ccc(O)cc2)cc1,CHEMBL224380,4.62
+CC(=O)Nc1ccc(OCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL239444,5.69
+Cc1ccc(OCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL399804,5.34
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccc(Cl)cc2)n(C)c1=O,CHEMBL240952,5.88
+Cn1c(=O)c2c(nc3n2CCCN3CCOC/C=C/c2ccccc2)n(C)c1=O,CHEMBL240953,5.37
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL441145,6.64
+Cn1c(=O)c2c(nc3n2CCCN3CC(O)c2ccccc2)n(C)c1=O,CHEMBL392909,5.95
+CC(C(O)c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL392115,5.67
+CC(=O)OC(CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C)c1ccccc1,CHEMBL392116,6.0
+Cn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(C)c1=O,CHEMBL239232,6.48
+COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC,CHEMBL392335,5.92
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL239864,6.49
+Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccc(F)cc2)n(C)c1=O,CHEMBL241382,4.85
+Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccccc2)n(C)c1=O,CHEMBL401028,4.7
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccc(F)cc2)n(C)c1=O,CHEMBL399805,5.52
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccccc2)n(C)c1=O,CHEMBL240951,5.43
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2Cl)n(C)c1=O,CHEMBL393588,5.96
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O,CHEMBL391718,4.6
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(CCC)c1=O,CHEMBL239234,6.05
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(CCC)c1=O,CHEMBL391717,5.88
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O,CHEMBL239233,6.07
+Cn1c(=O)c2c(nc3n2CCCN3CCCc2ccccc2)n(C)c1=O,CHEMBL391716,5.96
+CC(=O)OC(c1ccccc1)C(C)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL239016,5.91
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)cc2)n(C)c1=O,CHEMBL239230,6.305
+COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL392941,6.43
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)cc2)n(CCC)c1=O,CHEMBL398593,5.46
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(CCC)c1=O,CHEMBL240507,5.95
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(CCC)c1=O,CHEMBL400620,6.32
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2Cl)n(CCC)c1=O,CHEMBL240296,5.76
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(CCC)c1=O,CHEMBL400619,6.06
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(C)cc2)n(CCC)c1=O,CHEMBL240295,6.14
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O,CHEMBL240294,5.48
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccn2)n(C)c1=O,CHEMBL240083,5.6
+CC(c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL266451,5.55
+COc1cccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1,CHEMBL399618,5.88
+COc1ccccc1CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL238419,6.16
+COc1ccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL399414,5.26
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)cc2)n(C)c1=O,CHEMBL238418,5.63
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2Cl)n(C)c1=O,CHEMBL238417,5.61
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(C)c1=O,CHEMBL241618,6.025
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2Cl)n(C)c1=O,CHEMBL398385,5.91
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(C)c1=O,CHEMBL241617,5.255
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL401440,5.96
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccco3)n2)n1,CHEMBL252171,7.85
+CN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccco3)n2)CC1,CHEMBL398272,7.96
+CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1,CHEMBL251975,7.59
+Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN(C)C)c3)nc(-c3ccc(C)o3)n2)n1,CHEMBL401895,8.03
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270467,6.88
+Cc1cc(C)n(-c2cc(NC(=O)CCN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL270314,7.39
+Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1,CHEMBL410234,7.37
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272637,7.56
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429761,7.47
+CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL429575,6.81
+CCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1,CHEMBL409229,7.43
+Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](N(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL271606,6.8
+Cc1cc(C)n(-c2cc(NC(=O)CC3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL272679,6.99
+COC1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL271786,5.8
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL406921,6.64
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL261176,6.37
+CC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL261177,6.77
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC(CN(C)C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409459,7.6
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409460,7.85
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1,CHEMBL429428,7.06
+Cc1cc(C)n(-c2cc(NC(=O)CN3CCCN(C)CC3)nc(-c3ccc(C)o3)n2)n1,CHEMBL409419,7.33
+CCN1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1,CHEMBL409420,6.57
+COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1,CHEMBL487554,8.82
+COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL487569,8.52
+CC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1,CHEMBL487572,7.7
+CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL520229,8.0
+CC(=O)Nc1cc(-c2cccc(N3CCC(O)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL521223,8.0
+COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F,CHEMBL486745,7.92
+COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1,CHEMBL485972,7.85
+CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1,CHEMBL486162,8.15
+CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486140,7.68
+COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1,CHEMBL486131,7.52
+CC(=O)Nc1cc(-c2cncc(O)c2)nc(-n2nc(C)cc2C)n1,CHEMBL486130,7.49
+COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,CHEMBL458242,7.21
+COC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL519549,7.17
+CCOC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,CHEMBL485752,7.09
+COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1,CHEMBL458224,7.32
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,CHEMBL490262,5.67
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,4.49
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519813,6.47
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483261,6.35
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482436,5.76
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL482638,6.58
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,6.1
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520297,7.4
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520830,6.71
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,6.41
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484900,6.11
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486478,6.91
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486479,5.81
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL519390,6.2
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,5.77
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520617,6.47
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL518972,5.76
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482648,6.04
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482855,5.99
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL483065,6.36
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,6.23
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483487,6.92
+C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL519253,6.7
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520899,6.44
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486481,7.38
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519556,6.0
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL488541,6.17
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL488542,6.6
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL486281,6.15
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,6.87
+Cn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL483663,6.82
+CCn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2C)n(CC)c1=O,CHEMBL489592,8.56
+CCn1c(/C=C/C=C/c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL446316,7.87
+Cn1c(=O)c2c(nc(/C=C/C=C/c3cccc(F)c3)n2C)n(C)c1=O,CHEMBL489391,6.94
+Cn1c(=O)c2c(nc(/C=C/C=C/c3cccc(Br)c3)n2C)n(C)c1=O,CHEMBL522256,7.23
+Cn1c(=O)c2c(nc(/C=C/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,CHEMBL489390,6.98
+CN1C(=O)C2C(N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O,CHEMBL483243,7.52
+CCn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2CC)n(CC)c1=O,CHEMBL490014,8.11
+CC(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23,CHEMBL127872,4.86
+Nc1nc(SCCC2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL576838,5.96
+Nc1nc(SCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577036,7.73
+Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577458,6.41
+Nc1nc(SCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568009,6.085
+Nc1nc(SC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL567801,5.495
+C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL578819,5.535
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1,CHEMBL591710,6.18
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1,CHEMBL600232,5.52
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(OC)cc2)s1,CHEMBL590301,5.74
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1,CHEMBL603129,5.79
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,6.3
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=O,CHEMBL52333,6.77
+Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1093313,7.74
+CSc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090123,7.02
+CN(C)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090124,5.42
+CSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1090126,6.37
+COc1ccc(CC(=O)Nc2nc(SC)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1090806,5.8
+CCCCCC(=O)Nc1nc(SC)nc2nc(-c3ccco3)nn12,CHEMBL1092579,6.37
+CSc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092868,5.78
+CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092869,6.13
+O=C(Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL1092870,5.73
+O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1088770,6.87
+COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089438,6.05
+CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1089439,6.72
+O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1089440,7.41
+Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089441,6.67
+CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089112,5.39
+CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089113,5.17
+COc1ccc(CC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089463,4.99
+CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089799,6.24
+Cc1ccc(NC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089480,5.57
+C#CCOc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,CHEMBL1087079,8.52
+C#CCn1c(C)nc2sc3c(c2c1=O)CCCC3,CHEMBL1086956,8.15
+C#CCn1c(Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3,CHEMBL1088253,7.85
+C#CCn1c(C)nc2sc(C)c(C)c2c1=O,CHEMBL1095693,5.42
+C#CCn1c(-c2ccccc2)nc2sc(C)c(C)c2c1=O,CHEMBL1088398,7.54
+C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O,CHEMBL1088384,5.12
+C#CCn1c(C)nc2sc3c(c2c1=O)CCC3,CHEMBL1095695,7.74
+C#CCn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCC3,CHEMBL1087329,5.01
+CCOc1cccc2c(C)nc(NC(=N)N)nc12,CHEMBL602578,6.2
+COc1ccc2c(C)nc(NC3=NCC(=O)N3)nc2c1,CHEMBL1210817,5.62
+CCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270610,7.62
+CCN(CC)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC,CHEMBL1270708,7.23
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21,CHEMBL1270709,7.92
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@H]3C)cnc21,CHEMBL1270813,8.19
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@@H]3C)cnc21,CHEMBL1270814,7.85
+CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2c1,CHEMBL1269901,7.8
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N3CCCCC3)cc21,CHEMBL1270007,7.07
+CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1,CHEMBL1270008,7.64
+COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N(C)C(C)C)nc21,CHEMBL1270115,8.37
+Nc1nc(SCCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043295,7.35
+Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043427,6.82
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2070398,6.39
+CCCn1c(=O)c2[nH]c(C3C4CC5OC(=O)C3C5C4)nc2n(CCC)c1=O,CHEMBL2153721,6.57
+Cn1c(=O)c2c(nc3n2CCN3C2CCCC2)n(C)c1=O,CHEMBL2153720,5.51
+Cn1c(=O)c2c(nc3n2CCN3CC2CCCCC2)n(C)c1=O,CHEMBL2153719,5.7
+Cn1c(=O)c2c(nc3n2CCN3C2CCCCC2)n(C)c1=O,CHEMBL2153632,5.59
+Cn1c(=O)c2c(nc3n2CCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153630,5.69
+Cn1c(=O)c2c(nc3n2CCN3C2CCC(O)CC2)n(C)c1=O,CHEMBL2153631,5.35
+Cn1c(=O)c2c(nc3n2CCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153629,6.48
+Cn1c(=O)c2c(nc3n2CCCN3C2CC2)n(C)c1=O,CHEMBL2153628,5.91
+Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O,CHEMBL2153627,6.01
+Cn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL2153626,5.71
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCC2)n(C)c1=O,CHEMBL2153625,6.0
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL2153624,6.09
+Cn1c(=O)c2c(nc3n2CCCN3C2CCC(O)CC2)n(C)c1=O,CHEMBL2153623,5.69
+Cn1c(=O)c2c(nc3n2CCCN3[C@H]2CC[C@H](O)CC2)n(C)c1=O,CHEMBL2153621,5.44
+CC(=O)O[C@H]1CC[C@H](N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153622,5.21
+CC1CCC(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153620,6.62
+CC1CCCCC1N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153619,5.97
+Cn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL2153618,6.21
+CC(C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153617,5.91
+C[C@H](C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153616,5.89
+C[C@@H](C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153615,6.05
+Cn1c(=O)c2c(nc3n2CCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153614,6.3
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCCC2)n(C)c1=O,CHEMBL2153613,5.57
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153612,6.24
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCC2)n(C)c1=O,CHEMBL2151065,5.86
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCC2)n(C)c1=O,CHEMBL2153610,5.53
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCC(O)CC2)n(C)c1=O,CHEMBL2153609,5.42
+CC(=O)OC1CCC(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153608,5.76
+CC1CCC(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153607,6.08
+CC1CCCCC1N1CCCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153606,5.46
+Cn1c(=O)c2c(nc3n2CCCCN3CC2CCCCC2)n(C)c1=O,CHEMBL2153605,5.46
+Cn1c(=O)c2c(nc3n2CCCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153604,5.93
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCCCC2)n(C)c1=O,CHEMBL2153603,5.16
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCC)c1=O,CHEMBL418101,5.96
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193421,5.53
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181970,6.34
+OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193692,7.12
+OC[C@H]1O[C@@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181971,7.48
+C#CCn1c(=O)c2c(nc(C#Cc3ccccc3)n2C)n(C)c1=O,CHEMBL2312973,6.52
+Nc1nc(N/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326831,6.48
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl,CHEMBL2326829,7.27
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2326828,7.92
+Nc1nc(N/N=C/c2ccc(Cl)cc2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326844,7.04
+Nc1nc(N/N=C/c2ccc(Cl)c(Cl)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326843,7.61
+Nc1nc(N/N=C/c2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326842,7.79
+Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1950554,7.59
+O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1,CHEMBL2382425,6.16
+Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1,CHEMBL2382420,5.22
+O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL2380383,6.31
+O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1,CHEMBL2380382,7.07
+COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382439,6.5
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,6.09
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,6.25
+O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382434,6.37
+COc1cccc(C#CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382433,5.76
+COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382431,6.6
+O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1,CHEMBL2382428,5.66
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,6.53
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,6.99
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413105,5.36
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413104,5.02
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413103,5.36
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n(CCC)c1=O,CHEMBL3093221,5.14
+CCCn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccccc3)CC2)n(CCC)c1=O,CHEMBL3093220,5.09
+Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(C)c1=O,CHEMBL3093215,5.03
+Cn1c(=O)c2c(nc3n2CCCN3CC(=O)N2CCN(Cc3ccccc3)CC2)n(C)c1=O,CHEMBL3093214,4.85
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093239,6.11
+Cn1c(=O)c2c(nc3n2CCCN3CCc2cccc(Cl)c2)n(C)c1=O,CHEMBL3093238,6.78
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093237,5.79
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093236,5.43
+Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093235,5.26
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093234,5.33
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O,CHEMBL3093233,5.92
+Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O,CHEMBL3093232,5.42
+CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(CC)c1=O,CHEMBL3093230,5.77
+CCn1c(=O)c2c(nc3n2CCCN3CCc2cc(OC)c(OC)c(OC)c2)n(CC)c1=O,CHEMBL3093229,5.41
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(CC)c1=O,CHEMBL3093228,5.73
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(CC)c1=O,CHEMBL3093227,6.2
+CCn1c(=O)c2c(nc3n2CCCN3CCc2cccc(OC)c2)n(CC)c1=O,CHEMBL3093226,5.58
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2OC)n(CC)c1=O,CHEMBL3093225,5.74
+CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(CC)c1=O,CHEMBL3093224,5.27
+CCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CC)c1=O,CHEMBL3093326,6.05
+CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O,CHEMBL3093325,5.73
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCN(Cc3ccccc3)CC2)n(C)c1=O,CHEMBL3093324,5.61
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL3093323,6.3
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCO2)n(C)c1=O,CHEMBL3093322,5.84
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL3093321,6.44
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL3091482,6.42
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O,CHEMBL3093320,6.15
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cc(OC)c(OC)c(OC)c2)n(C)c1=O,CHEMBL3093319,6.14
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093318,6.54
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL3093317,6.56
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL3093316,6.08
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O,CHEMBL3093315,6.59
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccnc2)n(C)c1=O,CHEMBL3093314,5.21
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093313,5.52
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O,CHEMBL3093312,6.16
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O,CHEMBL3093311,6.19
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL3093310,6.27
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C(C)C)cc2)n(C)c1=O,CHEMBL3093333,5.83
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cc(OC)cc(OC)c2)n(C)c1=O,CHEMBL3093332,5.69
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O,CHEMBL3093331,6.03
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O,CHEMBL3093330,5.52
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093329,5.71
+Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093328,6.83
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,6.26
+Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1256672,7.0
+CCCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CCC)c1=O,CHEMBL25964,7.27
+Cn1c(=O)c2c(nc(CCCc3ccccc3)n2C)n(C)c1=O,CHEMBL3618467,5.17
+CCn1c(CCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618468,5.31
+CCn1c(=O)c2c(nc(CCCc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618469,5.41
+CCn1c(=O)c2c(nc(CCCc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618470,5.57
+Cn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(C)c1=O,CHEMBL1864958,5.31
+CCn1c(CCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618471,5.51
+CCn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618472,5.63
+CCn1c(=O)c2c(nc(CCc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618473,5.3
+Cn1c(=O)c2c(nc(COc3ccccc3)n2C)n(C)c1=O,CHEMBL2088299,5.63
+CCn1c(COc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618474,5.65
+CCn1c(=O)c2c(nc(COc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618475,5.72
+CCn1c(=O)c2c(nc(COc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618476,5.58
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCC4)c3)nc(N)n2)o1,CHEMBL3735439,7.24
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCCC4)c3)nc(N)n2)o1,CHEMBL3735985,8.2
+CCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1,CHEMBL3735679,7.51
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)nc(N)n2)o1,CHEMBL3736116,7.79
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1,CHEMBL3735683,7.53
+CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC)c1=O,CHEMBL3736368,7.95
+Nc1nc(-c2ccc(F)cc2)cc(-c2ccco2)n1,CHEMBL3735200,6.59
+Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)o1,CHEMBL3735468,5.48
+COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC,CHEMBL3736443,5.56
+COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1,CHEMBL3735153,6.39
+COc1cccc(-c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL3736461,6.6
+Cc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1,CHEMBL3736199,6.4
+Nc1nc(-c2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL3734972,6.61
+Nc1nc(-c2ccccc2)cc(-c2cccc(Cl)c2)n1,CHEMBL3735374,6.02
+CCN(CC)C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1,CHEMBL3752439,7.64
+CN(C)C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1,CHEMBL3751996,7.28
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCC3)c2)n1,CHEMBL3754358,7.61
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCOCC3)c2)n1,CHEMBL3754167,8.46
+CN1CCN(C(=O)Oc2cccc(-c3cc(-c4ccccc4)nc(N)n3)c2)CC1,CHEMBL3753390,8.8
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCCC3)c2)n1,CHEMBL3753339,8.05
+CC(C)N(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)C(C)C,CHEMBL3754252,7.92
+CN(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)c1ccccc1,CHEMBL3752923,7.4
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)n1,CHEMBL3754574,6.35
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1,CHEMBL3765818,7.96
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1,CHEMBL3764083,8.89
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1,CHEMBL3763717,8.32
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1,CHEMBL3764467,8.06
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1,CHEMBL3764434,8.54
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C(F)(F)F)c2n1,CHEMBL3763199,7.24
+CSc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3763806,7.92
+CS(=O)(=O)c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3764006,6.52
+COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12,CHEMBL3765580,9.22
+Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1,CHEMBL3765379,8.54
+COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12,CHEMBL3763374,8.89
+COCCOc1ccc(N2CCN(C(=O)c3cnc4c(CNC(=O)c5nc(N)nc6c(F)cccc56)cccc4c3)CC2)cc1,CHEMBL3764598,7.94
+Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCN(c5ccccn5)CC4)cnc23)c2cccc(F)c2n1,CHEMBL3763514,7.9
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CCC)c1=O,CHEMBL3828044,6.11
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3827653,5.75
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCOCC3)cc2)n(CCC)c1=O,CHEMBL3827175,5.71
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3827301,6.13
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CCCC)c1=O,CHEMBL3827598,5.98
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827187,5.84
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCCC)c1=O,CHEMBL3827074,6.0
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCCC3)cc2)n(CCCC)c1=O,CHEMBL3827201,5.83
+CN(C)CCOc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL3828237,6.19
+CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL3827859,6.47
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCCCC3)cc2)n(C)c1=O,CHEMBL3828343,6.19
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(C)c1=O,CHEMBL3827016,6.23
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CC)c1=O,CHEMBL3827583,6.57
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CC)c1=O,CHEMBL3827365,6.07
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCC)c1=O,CHEMBL3828658,6.33
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3828401,6.18
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3828002,6.29
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,6.25
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O,CHEMBL3828555,5.86
+CN(C)CCOc1ccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,CHEMBL3827216,5.19
+CCN(CC)CCOc1ccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,CHEMBL3827075,5.11
+Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(OCCN4CCCCC4)cc2)C3)n(C)c1=O,CHEMBL3827628,5.25
+Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(OCCN4CCOCC4)cc2)C3)n(C)c1=O,CHEMBL3827031,4.94
diff --git a/chembl_200/CHEMBL304.csv b/chembl_200/CHEMBL304.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6879e5a6b839233e1b3a8d6b6a64ea021ecd3d34
--- /dev/null
+++ b/chembl_200/CHEMBL304.csv
@@ -0,0 +1,862 @@
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)ccc21,CHEMBL543449,7.12
+CN[C@H]1c2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)[C@@H]1O,CHEMBL554033,5.77
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2OC)c2ccc(OC)cc21,CHEMBL545559,6.91
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cccc(OC)c21,CHEMBL541602,7.03
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL543688,7.82
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL296602,8.14
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21,CHEMBL541605,6.99
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2c(OC)cccc21,CHEMBL542500,7.57
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL120490,6.75
+CC#Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310869,6.31
+COC(=O)C1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310883,5.93
+COC(=O)C1[C@@H](c2ccc(C#Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310872,6.68
+COC(=O)C1[C@@H](c2ccc(CCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310878,5.07
+COC(=O)C1C(c2ccc3ccccc3c2)CC2CC[C@H]1N2C,CHEMBL2310874,7.37
+COC(=O)C1[C@@H](c2ccc(-c3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310876,6.05
+C=Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310868,7.33
+C#Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL3350431,7.3
+C/C=C\c1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310884,6.02
+COC(=O)C1[C@@H](c2ccc(C#CCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310873,6.05
+COC(=O)C1[C@@H](c2ccc(Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310880,6.22
+COC(=O)C1[C@@H](c2ccc(C#CCCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310875,5.57
+COC(=O)C1[C@@H](c2ccc(CCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310877,8.19
+COC(=O)C1[C@@H](c2ccc(C#CCCCCO)cc2)CC2CC[C@H]1N2C,CHEMBL2310870,5.24
+COC(=O)C1[C@@H](c2ccc3ccccc3c2)CC2CC[C@H]1N2C,CHEMBL2310867,7.9
+COC(=O)C1[C@@H](c2ccc(CCCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310865,5.86
+COC(=O)C1[C@@H](c2ccc(/C=C/Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310881,6.12
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2373962,7.44
+COC(=O)C1[C@@H](c2ccc(C#CCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310871,7.78
+CCc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC)N3C)cc1,CHEMBL50157,5.63
+CCCc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310866,5.63
+COC(=O)C1=C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL84680,6.65
+C=C(c1ccccc1)c1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310879,5.37
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL610897,7.66
+Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL36074,6.32
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,5.79
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,9.1
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1,CHEMBL291321,6.67
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1Cl,CHEMBL293524,6.29
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1,CHEMBL294259,5.49
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1)c1ccccc1,CHEMBL300155,5.35
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)c(C)c1,CHEMBL56495,6.18
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc2ccccc12,CHEMBL58942,5.27
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58485,6.8
+Clc1ccc(/C=C2\CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl,CHEMBL60915,5.6
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL301275,6.49
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Br)c(Cl)c1)c1ccccc1,CHEMBL301020,5.42
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58253,6.17
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL300146,6.64
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)cc1,CHEMBL60540,6.84
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccc1,CHEMBL58414,7.28
+CCC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL58307,6.19
+CNC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL57934,6.38
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL417960,6.2
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL57281,5.51
+CON(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL293574,6.4
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)cc1,CHEMBL58308,6.23
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C(F)(F)F)cc1,CHEMBL418494,5.74
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1,CHEMBL58392,5.23
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)cc1,CHEMBL292394,6.68
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)c(Cl)c1,CHEMBL292129,6.7
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C(C)C)cc1,CHEMBL58318,5.95
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)c(Cl)c1,CHEMBL294429,6.57
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)c(Cl)c1,CHEMBL57596,6.34
+CN(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL291494,5.69
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1)c1ccccc1,CHEMBL292469,5.18
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)c(F)c1,CHEMBL58280,6.4
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1Cl,CHEMBL299901,5.92
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1)c1ccccc1,CHEMBL58195,5.09
+O=C(Oc1ccccc1)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL59545,5.62
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(OC)cc1,CHEMBL57260,6.73
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(Cl)cc(Cl)c1,CHEMBL300787,5.39
+Clc1ccc(/C=C2\CN3C4CCC3C(/C=C\c3ccccc3)C2C4)cc1Cl,CHEMBL59047,5.55
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1,CHEMBL300818,6.75
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)cc1,CHEMBL293540,4.48
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL57320,5.93
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL298815,6.0
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc2ccccc2c2ccccc12,CHEMBL58960,4.89
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccc(I)cc1,CHEMBL299019,5.07
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL296019,6.712000000000001
+COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108469,6.47
+COC(=O)C1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL105845,4.79
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1,CHEMBL2115080,6.7
+COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL323399,8.1
+COC(=O)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2111683,6.63
+COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106024,5.36
+COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108465,5.97
+COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112480,5.53
+COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL325562,6.36
+CCOC(=O)CCN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)OC)C1,CHEMBL105921,5.68
+COC(=O)C1CN(C(C)C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106025,5.74
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2079591,7.06
+COC(=O)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112481,6.85
+COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108886,6.31
+Cc1noc(C2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL107705,6.59
+OCC1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL321454,7.16
+Cc1noc(C2CNCC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL108598,7.47
+Cc1ccc([C@@H](O)[C@@H]2C3CC[C@H](C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2112763,6.67
+Cc1ccc(C2C[C@H]3CCC([C@@H]2CO)N3C)cc1,CHEMBL2112762,4.77
+Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2[C@@H](O)c2ccc(C)cc2)N3C)cc1,CHEMBL2079577,6.33
+Cc1ccc(CC2C(c3ccc(C)cc3)C[C@H]3CCC2N3C)cc1,CHEMBL19944,6.57
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(OC)cc1)CN23,CHEMBL612232,6.73
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,CHEMBL304656,6.1
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccs1)CN23,CHEMBL430977,7.59
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(F)cc1)CN23,CHEMBL294117,6.23
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN23,CHEMBL416865,7.92
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccco1)CN23,CHEMBL65346,6.95
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccc4ccccc14)CN23,CHEMBL65878,5.27
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294365,5.55
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccoc1)CN23,CHEMBL303592,6.79
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294105,7.28
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C\c1ccccc1)CN23,CHEMBL64965,5.82
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,CHEMBL65762,4.98
+CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294356,6.35
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079663,7.47
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1cccc2ccccc12,CHEMBL3349886,6.55
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccccc2)cc1,CHEMBL3349883,6.69
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079584,7.42
+COC(=O)[C@@H]1CNCC[C@H]1c1ccc2ccccc2c1,CHEMBL3350042,7.52
+C=Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349887,6.76
+C#Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349884,6.44
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079583,6.62
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079664,7.57
+Cc1ccc(C(=O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,CHEMBL331787,5.41
+CCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL324031,6.2
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1,CHEMBL334027,6.56
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)nc1,CHEMBL443281,5.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(OC)s1,CHEMBL331321,5.65
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL331565,7.585
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1nccs1,CHEMBL119706,6.07
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccn1,CHEMBL118725,6.94
+CCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL118530,5.67
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(C)c(Br)s1,CHEMBL116369,7.43
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccs2)s1,CHEMBL116431,7.01
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1,CHEMBL331639,7.24
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cnccn1,CHEMBL116374,5.71
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1,CHEMBL119137,7.99
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2)s1,CHEMBL325404,7.87
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)s1,CHEMBL331425,7.7
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)s1,CHEMBL117047,8.31
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cnc(OC)nc1OC,CHEMBL118500,5.02
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)s1,CHEMBL118261,8.01
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(OC)n1,CHEMBL440332,6.51
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccsc1,CHEMBL333912,7.48
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)s1,CHEMBL119477,8.3
+CCCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL118853,6.44
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccnc1,CHEMBL331780,4.9
+C[C@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112915,6.3
+C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112916,6.16
+CNCc1ccccc1Sc1ccc(I)cc1N,CHEMBL278809,6.15
+COCc1cc(I)ccc1Sc1ccccc1CN(C)C,CHEMBL284002,6.67
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1N,CHEMBL22216,6.97
+CN(C)Cc1ccccc1Sc1ccc(F)cc1CO,CHEMBL22743,7.55
+CNCc1ccccc1Sc1ccc(Br)cc1N,CHEMBL23033,6.97
+CN(C)Cc1ccccc1Sc1ccc(/C=C/I)cc1N,CHEMBL277045,7.1
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO,CHEMBL278165,8.24
+Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL22183,6.49
+CNCc1ccccc1Sc1ccc(I)cc1CO,CHEMBL429065,7.89
+COCc1cc(Br)ccc1Sc1ccccc1CN(C)C,CHEMBL22259,6.49
+CN(C)Cc1ccccc1Sc1ccc(I)cc1N,CHEMBL23034,6.17
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL2021540,5.4
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL558823,5.92
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL544721,5.69
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2,CHEMBL557821,6.68
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL539254,5.74
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL2021528,4.65
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094050,5.25
+CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094049,4.28
+CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL538234,5.54
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL537994,5.36
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL555180,6.16
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL2094051,4.8
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL2094048,5.58
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,6.16
+CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL310310,5.83
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL3084870,6.35
+CN1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(I)cc1)C2,CHEMBL1643896,6.22
+Cc1ccc(C2CC3CCC(C2C(=O)Oc2ccccc2)N3C)cc1,CHEMBL340912,6.56
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL14391,8.442
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL340761,7.49
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL127546,7.38
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C,CHEMBL97887,7.82
+CC(C)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL127040,6.6
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2c1cc(-c2ccccc2)no1,CHEMBL298580,6.59
+COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2,CHEMBL81525,8.495
+COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2,CHEMBL80262,8.32
+COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2,CHEMBL80515,8.09
+CCc1cc(C2C(c3ccc(C)cc3)CC3CCC2N3C)on1,CHEMBL317904,6.74
+COc1ccc(-c2cc(C3C(c4ccc(Cl)cc4)CC4CCC3N4C)on2)cc1,CHEMBL320627,6.34
+Cc1ccc(C2CC3CCC(C2c2cc(-c4ccccc4)no2)N3C)cc1,CHEMBL316585,6.62
+Cc1ccc(C2CC3CCC(C2c2cc(-c4ccc(Cl)cc4)no2)N3C)cc1,CHEMBL328415,5.4
+CN1C2CCC1C(c1cc(-c3ccc(Cl)cc3)no1)C(c1ccc(Cl)cc1)C2,CHEMBL103223,5.42
+COc1ccc(-c2cc(C3C(c4ccc(C)cc4)CC4CCC3N4C)on2)cc1,CHEMBL322856,6.34
+Cc1ccc(C2CC3CCC(C2c2cc(C(C)C)no2)N3C)cc1,CHEMBL322400,5.81
+Cc1ccc(C2CC3CCC(C2c2cc(C)no2)N3C)cc1,CHEMBL103228,6.82
+CC(C)c1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL321780,6.24
+Cc1ccc(-c2cc(C3C(c4ccc(Cl)cc4)CC4CCC3N4C)on2)cc1,CHEMBL322385,5.99
+Cc1ccc(C2CC3CCC(C2c2ccno2)N3C)cc1,CHEMBL317905,7.59
+CN1C2CCC1C(c1ccno1)C(c1ccc(Cl)cc1)C2,CHEMBL103523,7.28
+Cc1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL316528,6.96
+CCc1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL103227,7.14
+CN1C2CCC1C(c1cc(C(C)(C)C)no1)C(c1ccc(Cl)cc1)C2,CHEMBL100652,5.42
+Cc1ccc(C2CC3CCC(C2c2cc(C(C)(C)C)no2)N3C)cc1,CHEMBL317909,5.74
+CN1C2CCC1C(c1cc(-c3ccc(F)cc3)no1)C(c1ccc(Cl)cc1)C2,CHEMBL329517,6.26
+Cc1ccc(C2CC3CCC(C2c2cc(-c4ccc(F)cc4)no2)N3C)cc1,CHEMBL102279,6.26
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL300226,7.67
+Cc1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL65917,6.59
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL1692,7.92
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,6.154
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,5.53
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCF,CHEMBL105089,6.57
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL318755,7.2
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(I)cc1)C2,CHEMBL318961,6.85
+O=C(OCCF)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL317444,6.14
+Cc1ccc(C2CC3CCC(C2C(=O)OCCCF)N3C)cc1,CHEMBL430504,6.59
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(I)cc1)C2,CHEMBL105693,6.76
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL433159,6.71
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,8.73
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCCF,CHEMBL319052,5.92
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C/C=C/I,CHEMBL2113650,6.3
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1,CHEMBL2113649,6.22
+C/C=C/CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611426,6.4
+CCCc1ccc(C2C[C@H]3CCC([C@H]2C(=O)OC)N3C/C=C/I)cc1,CHEMBL611179,6.12
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611180,6.53
+C=Cc1ccc(C2CC3CCC(N3)C2C(=O)CC)cc1,CHEMBL85492,7.96
+C=C(C)c1ccc(C2CC3CCC(N3)C2C(=O)CC)cc1,CHEMBL85877,7.03
+CCC(=O)C1C2CCC(CC1c1ccc(C3CCCCC3)cc1)N2,CHEMBL84899,5.37
+CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2,CHEMBL87983,8.26
+C=C(C)c1ccc(C2CC3CCC(C2C(=O)CC)N3C)cc1,CHEMBL82807,6.1
+C=Cc1ccc(C2CC3CCC(C2C(=O)CC)N3C)cc1,CHEMBL314361,7.11
+CCC(=O)C1C2CCC(CC1c1ccc(C(CC)CC)cc1)N2,CHEMBL87678,5.29
+CCC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C,CHEMBL23142,6.995
+CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)cc1)N2,CHEMBL85256,6.82
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccc(Cl)cc2)C1,CHEMBL296994,6.26
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL295463,6.43
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44046,6.98
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296043,6.84
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL434780,6.4
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44864,6.18
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296722,5.7
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL41995,6.405
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL43386,5.98
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL42203,6.74
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1,CHEMBL417705,5.97
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL417527,6.8
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44070,6.47
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL42689,6.24
+CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL289914,5.36
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccccc2)C1,CHEMBL40196,5.92
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL297166,6.51
+CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL441608,5.51
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)Nc2ccccc2)C1,CHEMBL103805,7.48
+CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL321940,6.6
+CC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101431,6.63
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)N2CCCC2)C1,CHEMBL101173,5.7
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL103144,7.25
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1,CHEMBL103297,7.34
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)O)C1,CHEMBL103865,5.42
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1,CHEMBL103262,7.49
+CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103829,8.19
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1,CHEMBL430481,6.25
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](Cc2noc(-c3ccc4c(c3)OCO4)n2)C1,CHEMBL316749,7.28
+COC(=O)/C=C/[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103191,6.57
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)(C)C)C1,CHEMBL102327,6.46
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCc2ccccc2)C1,CHEMBL102614,6.42
+COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103290,7.51
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1,CHEMBL319805,6.45
+CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101641,7.0
+CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103291,7.0
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL319076,5.97
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccccc2)C1,CHEMBL102483,6.41
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL102319,6.82
+C=CCOC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL102482,7.7
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)OCCCc2ccccc2)C1,CHEMBL103208,7.32
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)O)C1,CHEMBL103739,6.37
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1,CHEMBL103688,7.25
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)N(C)C)C1,CHEMBL102861,6.24
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)Oc2ccccc2)C1,CHEMBL323577,5.66
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1,CHEMBL103195,6.97
+CC(=O)C1C(c2cccc3ccccc23)CC2CCC1N2C,CHEMBL23672,6.78
+CCC(=O)C1C(c2cccc3ccccc23)CC2CCC1N2C,CHEMBL278572,7.31
+CC(=O)C1C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL22930,8.31
+CC(C)C(=O)C1C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL39589,7.42
+C=C(C)c1c(OC)ccc2cc(C3CC4CCC(C3C(=O)CC)N4C)ccc12,CHEMBL39764,5.63
+CCC(=O)C1C(c2ccc3c(I)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL290412,6.11
+CCC(=O)C1C(c2ccc3c(C(C)=O)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL289849,6.3
+CCC(=O)C1C(c2ccc(C)c3ccccc23)CC2CCC1N2C,CHEMBL39340,6.79
+CCC(=O)C1C(c2ccc3cc(CC)ccc3c2)CC2CCC1N2C,CHEMBL34243,7.56
+CCC(=O)C1C(c2ccc(CC)c3ccccc23)CC2CCC1N2C,CHEMBL285039,5.32
+CCC(=O)C1C(c2ccc3c(CC)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL287940,5.47
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,5.67
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL313179,5.99
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1,CHEMBL433340,4.77
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL316244,5.44
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1,CHEMBL314433,5.17
+Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1,CHEMBL542521,5.19
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084623,4.7
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1,CHEMBL539829,5.22
+C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL545574,5.38
+CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084609,4.99
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL544177,4.89
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL541612,5.12
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1,CHEMBL539821,6.0
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL3084621,5.74
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084608,5.63
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084607,5.31
+CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL542275,5.83
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL545342,5.33
+Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1,CHEMBL559215,6.29
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL543231,5.91
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,CHEMBL115710,4.55
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL115253,6.2
+NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085021,5.85
+Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL324518,5.95
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,CHEMBL112528,6.19
+OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL326706,5.44
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL111928,4.92
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL325826,5.51
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085020,5.85
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,CHEMBL327055,5.46
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,5.66
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,5.0
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,6.55
+COC(=O)C1C(c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC2CCC1N2C,CHEMBL50997,6.12
+COC(=O)C1C(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC2CCC1N2C,CHEMBL301174,6.02
+COC(=O)C1C(c2ccc(-c3ccc(OC)cc3)cc2)CC2CCC1N2C,CHEMBL296394,6.45
+COC(=O)C1C(c2ccc(-c3ccccc3OC)cc2)CC2CCC1N2C,CHEMBL299635,5.0
+COC(=O)C1C(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC2CCC1N2C,CHEMBL300511,6.43
+CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112510,4.99
+CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112509,5.43
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2,CHEMBL113195,5.19
+COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112515,5.16
+COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112508,5.16
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2,CHEMBL2112514,5.24
+O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2,CHEMBL2112516,5.5
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)Oc1ccccc1)C2,CHEMBL2112513,5.86
+CC(C)COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112512,5.18
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2,CHEMBL113144,5.86
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2,CHEMBL2112511,5.21
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2,CHEMBL112825,5.89
+CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL89142,7.875
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL301514,7.62
+CCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL315697,5.88
+CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL554565,6.14
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL89752,6.58
+CCCC1C(c2ccc(F)cc2)CC2C[C@@H](F)C1N2C,CHEMBL33992,6.9
+CCCC1C(c2ccc(F)cc2)CC2C[C@H](F)C1N2C,CHEMBL33280,7.28
+CCCC1C(c2ccc(F)cc2)CC2CC(F)(F)C1N2C,CHEMBL286179,5.42
+NCCc1cc(O)c(O)cc1N,CHEMBL131384,7.96
+NCCc1cc(O)c(N)cc1O,CHEMBL130653,8.3
+CC(N)Cc1cc(N)c(O)cc1O,CHEMBL132012,7.34
+NCCc1cc(N)c(O)cc1O,CHEMBL130521,7.89
+CC(N)Cc1cc(O)c(O)cc1N,CHEMBL132149,8.1
+NCCc1cc(O)c(O)cc1O,CHEMBL337702,7.29
+CC(N)Cc1cc(O)c(O)cc1O,CHEMBL28225,7.59
+CC(N)Cc1cc(O)c(N)cc1O,CHEMBL131383,9.0
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCCCCN1C(=O)c2ccccc2C1=O,CHEMBL423692,7.12
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCN1C(=O)c2ccccc2C1=O,CHEMBL432029,7.22
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O,CHEMBL2112550,7.13
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCN1C(=O)c2ccccc2C1=O,CHEMBL114547,6.36
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCN1C(=O)c2ccccc2C1=O,CHEMBL114837,6.72
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCF,CHEMBL358006,7.03
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCI,CHEMBL153200,5.3
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCOS(C)(=O)=O,CHEMBL153602,5.3
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC1CC1,CHEMBL150084,6.7
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCO,CHEMBL357300,6.66
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCl,CHEMBL345553,7.02
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC(OC)OC,CHEMBL153361,6.96
+COC(=O)CN1C2CCC1C(C(=O)OC)C(c1ccc(I)cc1)C2,CHEMBL149801,7.54
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL345760,5.0
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C,CHEMBL2112890,6.28
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCBr,CHEMBL356652,6.79
+CN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1,CHEMBL275060,7.36
+CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1,CHEMBL13425,6.1
+CN1C[C@@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1,CHEMBL269445,7.16
+CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,CHEMBL268999,6.37
+CN1C[C@@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL275541,7.51
+CN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1,CHEMBL276841,6.82
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1,CHEMBL91574,6.19
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)C1,CHEMBL92880,6.29
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)C1,CHEMBL327329,7.13
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1,CHEMBL94108,5.81
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1,CHEMBL91872,5.98
+Clc1ccc([C@@H]2CCN3C/C(=N\OCc4ccccc4)C2C3)cc1,CHEMBL46773,5.81
+Clc1ccc([C@@H]2CCN3C/C(=N\OCCCc4ccccc4)C2C3)cc1,CHEMBL46536,6.32
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCCCc2ccccc2)C1,CHEMBL44922,6.42
+CO/N=C1\CN2CC[C@H](c3ccc(Cl)cc3)C1C2,CHEMBL47188,6.29
+CO/N=C1/CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL298420,6.63
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)C1,CHEMBL43713,5.5
+CO/N=C1/CN2CC[C@H](c3ccc(Cl)cc3)C1C2,CHEMBL295882,6.62
+COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL46413,6.825
+CC(C)(C)O/N=C1\CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL295880,6.54
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCc2ccccc2)C1,CHEMBL47068,7.14
+C[C@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112788,5.34
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1,CHEMBL2112784,5.17
+C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1,CHEMBL2112791,4.86
+C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)N1,CHEMBL2112789,5.89
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112787,5.44
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C,CHEMBL2112760,5.03
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112783,5.6
+c1ccc(N2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1,CHEMBL324896,5.39
+C[C@H]1CN(CCCn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112790,5.44
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1,CHEMBL314726,5.07
+Fc1ccc(OC(c2ccccc2)C2CCNCC2)cc1,CHEMBL152254,6.95
+c1ccc(C(Oc2cccc3ccccc23)C2CCNCC2)cc1,CHEMBL150932,6.38
+CCc1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1,CHEMBL301562,7.13
+CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL52324,6.25
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C,CHEMBL50858,8.55
+C=C(C)c1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1,CHEMBL51154,7.06
+CCc1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1I,CHEMBL297507,7.05
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2,CHEMBL301938,9.37
+Cc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC(C)C)N3C)cc1,CHEMBL298703,5.94
+Cc1ccc([C@H]2C[C@H]3CCC(C2c2ccccc2)N3C)cc1,CHEMBL51771,6.54
+COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2,CHEMBL300220,6.02
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL2373961,7.97
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2C(=O)N1CCCC1,CHEMBL51355,5.63
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2,CHEMBL51617,8.27
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2C(=O)OCCc1ccc(N=S)cc1,CHEMBL2310926,6.07
+Cc1ccc(-c2cc(C3C4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL432878,5.99
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(Br)cc1)N2C,CHEMBL2310929,7.64
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)s1)C3,CHEMBL61971,7.87
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3,CHEMBL294552,7.21
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C3,CHEMBL59877,8.01
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3,CHEMBL60251,6.13
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(N(C)C)cc2)cc1)C3,CHEMBL59897,7.24
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccco2)cc1)C3,CHEMBL61335,7.86
+COC(=O)[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115487,7.92
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3,CHEMBL59221,7.41
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3,CHEMBL262196,6.0
+CC(=O)OCC1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL59609,7.24
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3,CHEMBL430561,7.34
+OC[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115093,6.74
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(I)cc2)cc1)C3,CHEMBL300548,6.94
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C3,CHEMBL293438,5.94
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3,CHEMBL301199,7.99
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3,CHEMBL64625,7.49
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccs2)cc1)C3,CHEMBL64665,7.7
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3,CHEMBL64757,7.64
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3,CHEMBL59955,6.33
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccsc2)cc1)C3,CHEMBL61529,7.69
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3,CHEMBL303991,7.65
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3,CHEMBL418463,7.76
+Clc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL356400,7.305
+N#Cc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL153093,6.9
+Fc1cccc(C(Oc2ccccc2F)C2CCNCC2)c1,CHEMBL345277,7.52
+Fc1ccccc1OC(c1ccccc1)C1CCNCC1,CHEMBL149641,7.515
+CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,CHEMBL14370,7.86
+CNCCC(Oc1ccccc1OC)c1ccccc1,CHEMBL295467,8.0
+OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL314424,6.27
+Fc1ccc(N(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL330021,6.17
+Fc1ccc(N(CCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL87841,5.28
+Fc1ccc(N(CCCN2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL315166,6.4
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL317362,6.2
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL42553,7.8
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL98279,5.87
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL310650,6.57
+CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL99038,6.19
+CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL95775,5.99
+CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL316634,5.65
+CC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL175338,5.61
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1,CHEMBL369497,5.91
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccccc1,CHEMBL366383,6.05
+CC(C)(C)OC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL366993,5.77
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL174854,7.28
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL367744,6.55
+CC(C)(C)C(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL173834,5.93
+CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL283154,5.52
+COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL21859,6.445
+CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL428704,5.945
+CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL281388,6.095
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1F,CHEMBL49736,7.44
+COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C,CHEMBL120901,6.97
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl,CHEMBL52392,6.85
+N=c1scc(-c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL296907,7.59
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1N1CCOCC1,CHEMBL50901,4.66
+Cc1ccc(-c2csc(=N)n2-c2ccc(Cl)cc2)cc1,CHEMBL51993,6.1
+N=c1scc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL297102,6.85
+Cc1cc(-n2c(-c3c(F)cccc3F)csc2=N)ccc1Cl,CHEMBL301094,7.07
+Cc1cc(-c2csc(=N)n2-c2ccc(Cl)cc2)ccc1Cl,CHEMBL48892,7.0
+CC(C)c1noc([C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1,CHEMBL304678,5.57
+CC(C)c1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL265226,6.11
+Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL416409,7.03
+Fc1ccc(C(OCCC2CCN(Cc3ccc(I)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL284096,6.26
+O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL290799,6.64
+O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL34697,6.68
+Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL33903,6.27
+Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL36419,6.19
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1,CHEMBL555280,5.42
+COc1ccc([C@H](CN)[C@@H](O)C2CCCCC2)cc1,CHEMBL540333,6.48
+CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,CHEMBL623,6.24
+Cc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1,CHEMBL544633,5.07
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539050,7.82
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,6.73
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C,CHEMBL543925,8.0
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C,CHEMBL542501,6.08
+Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1,CHEMBL539054,5.07
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL556025,6.0
+NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539564,8.11
+CCOc1ccccc1OCC1CNCCO1,CHEMBL306700,6.77
+COc1ccc([C@H](CN(C)C)[C@@H](O)C2CCCCC2)cc1,CHEMBL538053,6.66
+NC[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL542746,5.24
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1,CHEMBL545557,7.36
+CN1Cc2c(N)cccc2C(c2ccccc2)C1,CHEMBL273575,8.42
+Nc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL2093944,9.7
+O=[N+]([O-])c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL536947,8.47
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL540617,9.8
+c1ccc(C2CN3CCCCCC3c3ccccc32)cc1,CHEMBL537398,7.0
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL171474,9.17
+COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1,CHEMBL287257,8.21
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1OC,CHEMBL556545,8.47
+FC(F)(F)c1cccc([C@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL2093945,9.02
+Nc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743811,8.0
+c1ccc(C2CN3CCCCC3c3ccccc32)cc1,CHEMBL172809,7.7
+c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL558387,9.43
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL538310,9.1
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL539081,9.13
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL553692,9.09
+CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL416777,8.35
+C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc12,CHEMBL32797,8.42
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1O,CHEMBL1743819,9.09
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL35071,7.8
+Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL32209,7.94
+COc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL431299,9.19
+Oc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743793,9.07
+COc1cc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc(OC)c1OC,CHEMBL1743783,6.79
+F[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743821,7.51
+Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL431898,8.25
+COc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743784,7.79
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1OC,CHEMBL1743820,8.47
+c1ccc([C@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL284367,8.2
+Cn1ccc2c1[C@@H](c1ccccc1)CN1CCC[C@@H]21,CHEMBL1743807,8.12
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(F)ccc32)cc1,CHEMBL1743798,9.26
+c1ccc([C@H]2CN3CCC[C@H]3c3ccsc32)cc1,CHEMBL1743767,8.85
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c(Cl)c1,CHEMBL34891,7.77
+CC(=O)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743765,7.23
+Oc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL1743817,7.65
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL285403,7.83
+COc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743795,7.56
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(Cl)ccc32)cc1,CHEMBL35013,8.49
+N#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL35441,7.86
+Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743810,9.7
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL35492,7.38
+c1ccc([C@H]2CN3CCCC[C@H]3c3ccccc32)cc1,CHEMBL32497,7.86
+COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL284981,8.48
+FC(F)(F)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33364,7.97
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL287859,8.85
+c1ccc([C@H]2CN3CCC[C@H]3c3[nH]c4ccccc4c32)cc1,CHEMBL1743805,8.64
+Clc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL33769,7.94
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3cc(Cl)ccc32)cc1,CHEMBL32270,7.47
+C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc12,CHEMBL416959,7.62
+FC(F)(F)c1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL35166,8.51
+Clc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743796,7.0
+Oc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743781,7.82
+O[C@@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743822,7.39
+O[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL285277,8.09
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743794,9.1
+c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL2114393,7.19
+O=[N+]([O-])c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743812,8.47
+C[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743824,8.9
+C#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL286312,9.03
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743773,6.52
+CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21,CHEMBL35337,7.39
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743772,7.1
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743785,9.13
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743782,9.8
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33246,6.93
+COc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL36030,7.94
+CCN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL286455,8.25
+COc1cc2c(cc1OC)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL34875,7.27
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1Cl,CHEMBL287474,9.17
+c1ccc2c(c1)[C@@H]1CCCN1C[C@@H]2C1CCCCC1,CHEMBL1743814,7.09
+Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743778,8.06
+COc1ccc(NC(=O)Nc2ccc([C@@H]3CN4CCC[C@H]4c4ccccc43)cc2)cc1,CHEMBL32720,7.82
+COc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL32726,8.66
+Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743791,8.82
+c1csc([C@H]2CN3CCC[C@H]3c3ccsc32)c1,CHEMBL1743823,7.84
+NC(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL418038,7.04
+Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743799,7.98
+COc1ccc2c(c1)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743777,7.68
+Clc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743790,9.35
+CCCCc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL285902,7.52
+C[C@@]12CCCCN1C[C@H](c1ccccc1)c1ccccc12,CHEMBL36064,7.98
+FC(F)(F)c1cccc([C@@H]2CN3CCCC3c3cc(Cl)ccc32)c1,CHEMBL289900,7.49
+Clc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743786,9.21
+c1ccc([C@@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL288784,6.06
+C1=NCC(CC2=Cc3ccccc3CC2)N1,CHEMBL407509,7.3
+Fc1cccc2c1CC(CC1CN=CN1)C2,CHEMBL355467,7.0
+C1=C(Cc2cnc[nH]2)CCc2ccccc21,CHEMBL168201,6.1
+C1=NCC(CC2CCc3ccccc3C2)N1,CHEMBL166748,7.0
+Clc1cccc2c1CC(CC1CN=CN1)CC2,CHEMBL166690,7.0
+C1=NCC(Cc2cc3cc(-c4ccccc4)ccc3o2)N1,CHEMBL353705,6.8
+Cc1cc2c(cc1C)CC(CC1CN=CN1)C2,CHEMBL168022,7.6
+Cc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL354072,6.0
+C1=NCC(Cc2cc3ccccc3o2)N1,CHEMBL167644,7.2
+CC1(CC2=Cc3ccccc3CC2)CN=CN1,CHEMBL167437,6.5
+Clc1cccc2ccc(CC3CN=CN3)cc12,CHEMBL168168,7.7
+C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1,CHEMBL354611,7.0
+C1=NC[C@H](C2C[C@@]23CCc2ccccc2C3)N1,CHEMBL165467,6.4
+NC1=NCC(CC2=Cc3ccccc3CC2)O1,CHEMBL167515,6.0
+C1=NCC(CC2Cc3ccccc3C2)N1,CHEMBL353843,7.4
+Fc1cc2c(cc1F)CC(CC1CN=CN1)C2,CHEMBL352643,7.0
+C1=NC[C@@H]([C@@H]2[C@H]3c4ccccc4CC[C@H]32)N1,CHEMBL3037826,6.6
+NC1=NCC(CC2=Cc3ccccc3CC2)N1,CHEMBL168153,7.1
+C1=NCC([C@H]2[C@H]3Cc4ccccc4C[C@H]32)N1,CHEMBL166226,7.3
+C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1,CHEMBL166648,6.7
+Fc1ccc2oc(CC3CN=CN3)cc2c1,CHEMBL165645,6.1
+C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1,CHEMBL165529,6.7
+Fc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353139,6.9
+C1=NC[C@H](C2CC23Cc2ccccc2C3)N1,CHEMBL167578,7.5
+C1=NCC(CC2CCc3ccccc3O2)N1,CHEMBL166501,6.1
+NC1=NC(CC2=Cc3ccccc3CC2)CO1,CHEMBL166852,6.3
+C1=NCC(CC2=Cc3ccccc3OC2)N1,CHEMBL168000,7.2
+C1=NCC(CC2COc3ccccc3O2)N1,CHEMBL167649,6.0
+C1=NCC(CC2=Cc3ccccc3C2)N1,CHEMBL166448,7.5
+CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,CHEMBL262777,7.8
+C1=NC[C@@H](C[C@]23CCc4ccccc4C2C3)N1,CHEMBL168205,6.5
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,6.47
+Clc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353200,7.3
+C[C@@]1(C[C@H]2CN=CN2)CCc2ccccc2C1,CHEMBL354112,7.2
+Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL436234,7.3
+Cc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL164118,6.0
+COc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL352636,6.0
+C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1,CHEMBL353212,6.1
+CC1(C)CC(CC2CN=CN2)=Cc2ccccc21,CHEMBL353828,7.4
+C1=NC[C@@H](C2CC23Cc2ccccc2C3)N1,CHEMBL166683,6.5
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccsc1,CHEMBL194329,7.66
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1,CHEMBL371349,8.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1,CHEMBL195475,8.03
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2F)cc1,CHEMBL191985,6.41
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(F)c2)cc1,CHEMBL195404,8.3
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(F)cc2)cc1,CHEMBL371816,7.28
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(C(F)(F)F)c2)cc1,CHEMBL195138,8.06
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccc(F)c(F)c4)cc1)CN23,CHEMBL2113083,9.1
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4cc(F)cc(F)c4)cc1)CN23,CHEMBL2113081,8.89
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1,CHEMBL363189,7.21
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccsc2)s1,CHEMBL195146,8.23
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(F)cc1,CHEMBL371679,6.98
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cccc(F)c1,CHEMBL193806,5.68
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(F)c(F)c1,CHEMBL194439,6.96
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(C)c(F)c1,CHEMBL371344,7.28
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cc(F)ccc1F,CHEMBL195709,5.76
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1c(F)cccc1F,CHEMBL195181,8.28
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cccs1,CHEMBL365519,5.8
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1,CHEMBL541124,4.13
+CCOC(=O)C1(c2ccc3ccccc3c2)CCN(C)CC1,CHEMBL536952,4.15
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,7.4
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,8.11
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,6.02
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,7.7
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,8.44
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.06
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,8.03
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,6.42
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,8.57
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,8.75
+O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2113049,6.53
+COc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)CC2O)cc1,CHEMBL2112056,6.39
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc(F)cc1,CHEMBL2113047,5.98
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2112057,7.15
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1,CHEMBL2112058,6.16
+COc1ccc(CNC2C[C@H](C(c3ccccc3)c3ccccc3)OC[C@@H]2O)cc1,CHEMBL2112059,5.77
+O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2112060,5.54
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1,CHEMBL211484,7.8
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1,CHEMBL2112061,7.91
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2113044,6.39
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1,CHEMBL2113048,8.31
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)c(OC)c1,CHEMBL2113050,7.02
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)cc(OC)c1,CHEMBL2113053,7.0
+COc1ccc(CNC2C[C@@H](C(c3ccccc3)c3ccccc3)OC[C@H]2O)cc1,CHEMBL2113052,6.16
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,5.21
+COC(=O)C1C(c2ccc(-c3ccc(I)s3)cc2)CC2CCC1N2C,CHEMBL178773,5.94
+COC(=O)C1C(c2ccc(-c3ccsc3)cc2)CC2CCC1N2C,CHEMBL435287,6.72
+COC(=O)C1C2CCC(CC1c1ccc(-c3cccs3)cc1)N2,CHEMBL181557,7.12
+COC(=O)C1C(c2ccc(-c3cccs3)cc2)CC2CCC1N2C,CHEMBL181609,6.8
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccsc3)cc1)N2,CHEMBL179498,7.41
+COC(=O)C1C(c2ccc(-c3ccc(Br)s3)cc2)CC2CCC1N2C,CHEMBL180918,6.49
+COC(=O)C1C(c2ccc(-c3ccc(Cl)s3)cc2)CC2CCC1N2C,CHEMBL369098,6.51
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,6.75
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2,CHEMBL419316,6.66
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,7.48
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,6.51
+COC(=O)C1C(c2ccc(C)c(F)c2)CC2CCC1N2C,CHEMBL192195,7.65
+COC(=O)C1C(c2ccc(F)c(C)c2)CC2CCC1N2C,CHEMBL192035,7.13
+COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2,CHEMBL365738,9.37
+COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2,CHEMBL195738,8.67
+COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2,CHEMBL192924,8.4
+COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2,CHEMBL366159,8.59
+COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2,CHEMBL371607,8.69
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(Br)cc1)C2,CHEMBL365649,6.61
+O=C(OCCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL184807,8.05
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(Br)cc1)C2,CHEMBL185608,6.55
+O=C(OCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL186119,7.82
+O=C(OCCF)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL184123,8.69
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(Br)cc1)C2,CHEMBL362565,6.65
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL187299,6.38
+COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL365623,8.99
+NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1,CHEMBL191287,7.51
+CN1CCC(c2ccc(Cl)cc2)C(CI)C1,CHEMBL364469,6.37
+COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL372709,7.6
+COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188276,7.28
+CN1CCC(c2ccc(Cl)cc2)C(CSCCO)C1,CHEMBL373108,9.03
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCO)C1,CHEMBL365227,7.38
+COCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191494,8.22
+COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188357,7.6
+CC(=O)OCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL364536,8.44
+CC(=O)OCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL193244,7.54
+CN1CCC(c2ccc(Cl)cc2)C(CSCCOC(=O)c2ccccc2)C1,CHEMBL373127,8.35
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCOC(=O)c2ccccc2)C1,CHEMBL189693,7.74
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(N)=O)C1,CHEMBL363738,7.41
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)NO)C1,CHEMBL192936,7.82
+CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL192801,7.6
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N(C)C)C1,CHEMBL360834,7.57
+CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188557,9.1
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N2CCCCC2)C1,CHEMBL191330,9.17
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(N)=O)C1,CHEMBL371338,6.75
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)NO)C1,CHEMBL190218,7.92
+CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191428,7.07
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N(C)C)C1,CHEMBL188219,5.9
+CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191560,7.7
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N2CCCCC2)C1,CHEMBL190173,6.34
+Cc1noc(CSCC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371416,7.49
+Cc1noc(CS(=O)CC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371580,6.66
+COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL188143,9.25
+NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL364217,8.0
+COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL198641,7.24
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL197539,7.28
+CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197423,7.36
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL383360,7.17
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N(C)C)C1,CHEMBL425743,6.66
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1,CHEMBL372584,7.09
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL198809,7.49
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL372380,6.75
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL197389,6.91
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197013,7.28
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL200713,7.25
+COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200202,7.01
+CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL370830,8.26
+CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200671,7.96
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N(C)C)C1,CHEMBL196808,7.33
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N2CCCCC2)C1,CHEMBL381196,6.87
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2ccccc2)C1,CHEMBL200344,5.97
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL200660,7.27
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL199715,7.0
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc23)C1,CHEMBL197179,7.0
+CC(=O)OCCSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL196806,6.21
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL382547,6.84
+COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL370401,7.66
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL198518,7.16
+CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL196857,7.74
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200288,7.8
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N(C)C)C1,CHEMBL424849,7.2
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1,CHEMBL372975,7.89
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL199057,7.07
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL383585,7.59
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200056,7.52
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200252,6.38
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccco3)cc1)N2,CHEMBL200044,7.9
+COC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C,CHEMBL200698,6.9
+COC(=O)C1C(c2ccc(-c3cc(F)cc(F)c3)cc2)CC2CCC1N2C,CHEMBL200748,6.96
+COC(=O)C1C(c2ccc(-c3cccc(F)c3)cc2)CC2CCC1N2C,CHEMBL203299,6.6
+COC(=O)C1C(c2ccc(-c3ccco3)cc2)CC2CCC1N2C,CHEMBL199704,5.85
+COC(=O)C1C2CCC(CC1c1ccc(-c3cncc(OC)c3)cc1)N2,CHEMBL199743,6.13
+COC(=O)C1C(c2ccc(-c3cccnc3)cc2)CC2CCC1N2C,CHEMBL199634,5.85
+COC(=O)C1C(c2ccc(-c3cncc(OC)c3)cc2)CC2CCC1N2C,CHEMBL199850,5.8
+COC(=O)C1C2CCC(CC1c1ccc(-c3nccs3)cc1)N2,CHEMBL381418,6.67
+COC(=O)C1C(c2ccc(-c3cnccn3)cc2)CC2CCC1N2C,CHEMBL383572,6.67
+Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL213627,7.9
+Nc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209843,7.59
+O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL211302,7.27
+O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209651,7.09
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4[nH]ccc4c3)CO2)cc1,CHEMBL209603,8.18
+c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3ccc4[nH]ccc4c3)CO2)cc1,CHEMBL378437,7.81
+Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL211077,8.29
+Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209809,7.39
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2[nH]ccc2c1,CHEMBL209808,8.67
+O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1,CHEMBL379716,7.88
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1,CHEMBL211994,7.98
+Oc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)C[C@@H]2O)cc1,CHEMBL379706,7.03
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1,CHEMBL377129,8.31
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL215376,8.55
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL217022,5.47
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL386064,5.67
+CCCCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217456,6.24
+C=CCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL384104,6.03
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2,CHEMBL214923,6.25
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217160,6.36
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL214574,5.67
+COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL384482,6.34
+COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL413927,6.57
+C=C[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL214234,6.33
+CN1C2CCC1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217295,6.01
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,7.15
+c1ccc([C@H]2CCCN3CCCC[C@H]23)cc1,CHEMBL537206,6.86
+Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL556365,7.55
+COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,CHEMBL904,6.57
+Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12,CHEMBL537429,5.56
+Clc1ccc([C@@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL559186,6.8
+O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL541134,5.39
+CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL1203942,5.69
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL534501,7.01
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL553714,7.22
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558395,6.99
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537875,6.39
+CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL540625,5.82
+C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541896,7.12
+C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541895,6.16
+CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537874,7.2
+O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558182,7.55
+O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL557356,6.45
+O=C1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558394,6.55
+O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL537652,6.44
+c1ccc(C2CCCNC2)cc1,CHEMBL556366,6.27
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL390742,6.04
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227179,5.07
+COc1ccccc1OC(c1ccc(I)s1)C1CNCCO1,CHEMBL245639,7.1
+Cc1ccccc1OC(c1ccc(I)s1)C1CNCCO1,CHEMBL245638,7.14
+COc1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL245637,7.13
+O=[N+]([O-])c1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL247284,7.15
+FC(F)(F)c1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL429658,7.0
+CCOc1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL394965,7.55
+Cc1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL439030,7.56
+COc1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL247687,7.81
+Ic1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL393236,9.08
+Ic1ccccc1OC(c1ccccc1)C1CNCCO1,CHEMBL396328,8.61
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,6.29
+CN(C)Cc1ccccc1Oc1ccc(F)cc1N,CHEMBL394320,5.97
+CN(C)Cc1cc(F)ccc1Sc1ccc(C#N)cc1N,CHEMBL246120,4.75
+CN(C)Cc1cc(F)ccc1Oc1ccc(C#N)cc1N,CHEMBL246119,5.26
+CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N,CHEMBL246118,6.04
+Cc1ccc(Sc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL245915,5.98
+CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N,CHEMBL245913,5.56
+O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL260682,6.38
+O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL263636,6.41
+O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL265454,6.14
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL408950,6.5
+O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL412263,5.76
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL409881,6.02
+O[C@@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL410244,6.59
+O[C@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL260151,6.14
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258511,6.64
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258725,6.77
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccc(F)cc2)NC1)c1ccc(F)cc1,CHEMBL258724,8.44
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)c1ccc(F)cc1,CHEMBL261736,5.84
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,8.22
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4occc4c3)CO2)cc1,CHEMBL3397792,7.6
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397793,7.47
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)ccc1O,CHEMBL3397794,7.47
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1O,CHEMBL3397795,7.52
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397796,7.35
+Oc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397797,6.82
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397798,8.23
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cn1,CHEMBL3397799,7.42
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1F,CHEMBL3397800,7.38
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c(F)c1,CHEMBL3397801,8.03
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397802,7.58
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)ccc1O,CHEMBL3397803,8.32
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)CCO2,CHEMBL3397804,7.59
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397805,8.31
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)OCO2,CHEMBL3397806,7.99
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397807,7.54
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cn1,CHEMBL3397808,7.55
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1F,CHEMBL3397809,8.13
+Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1,CHEMBL3397810,7.87
diff --git a/chembl_200/CHEMBL3105.csv b/chembl_200/CHEMBL3105.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c151a2d98b392270e1ef22e53c103fc899b8779b
--- /dev/null
+++ b/chembl_200/CHEMBL3105.csv
@@ -0,0 +1,360 @@
+NC(=O)c1cccc2nc(-c3ccc(Cl)cc3)[nH]c12,CHEMBL131891,8.52
+COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1O,CHEMBL338923,8.7
+NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12,CHEMBL335198,6.54
+CN(C)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL334357,8.24
+CCOC(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL133855,8.09
+NC(=O)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12,CHEMBL334603,6.72
+COc1ccc(-c2nc3c(C(N)=O)cccc3n2C)cc1,CHEMBL131737,7.49
+NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12,CHEMBL334734,8.92
+NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12,CHEMBL335516,8.1
+NC(=O)c1cccc2nc(-c3ccccc3)[nH]c12,CHEMBL81723,7.795
+COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1O,CHEMBL133976,7.89
+NC(=O)c1cccc2[nH]c(-c3ccc4c(c3)OCO4)nc12,CHEMBL337386,8.23
+NC(=O)c1cccc2[nH]c(-c3cccc(CO)c3)nc12,CHEMBL337254,8.17
+C=CCOc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OC,CHEMBL134116,8.03
+NC(=O)c1cccc2[nH]c(-c3ccccc3F)nc12,CHEMBL133353,8.05
+Cc1nc2cccc(C(N)=O)c2[nH]1,CHEMBL121765,7.0
+COc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1,CHEMBL423343,6.9
+NC(=O)c1cccc2nc[nH]c12,CHEMBL133694,6.752999999999999
+NC(=O)c1cccc2nc(-c3ccc(O)cc3)[nH]c12,CHEMBL131719,8.22
+COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL131820,8.17
+NC(=O)c1cccc2nc(-c3cccc(Cl)c3)[nH]c12,CHEMBL132947,8.08
+O=C(O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12,CHEMBL336859,4.0
+N#Cc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL335993,8.4
+COc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL134022,8.22
+COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(OC)c1OC,CHEMBL132834,6.87
+NC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12,CHEMBL133241,8.8
+NC(=O)c1cccc2[nH]c(-c3cccc(O)c3)nc12,CHEMBL336070,8.2
+NC(=O)c1cccc2[nH]c(-c3ccccc3Cl)nc12,CHEMBL335226,8.03
+NC(=O)c1cccc2nc(-c3ccc(N)cc3)[nH]c12,CHEMBL134197,7.96
+NC(=O)c1cccc2nc(C(F)(F)F)[nH]c12,CHEMBL133096,6.46
+CC(C)[Si](OCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1)(C(C)C)C(C)C,CHEMBL341427,7.07
+COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1,CHEMBL338955,6.28
+NC(=O)c1cccc2[nH]c(-c3ccccc3CO)nc12,CHEMBL133275,7.97
+COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1OC,CHEMBL133343,8.27
+NC(=O)c1cccc(N)c1,CHEMBL81977,5.51
+NC(=O)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL339167,8.1
+O=C1NCCc2c(-c3ccc[nH]3)[nH]c3cccc1c23,CHEMBL344741,8.1
+O=C1NCCc2c(-c3ccccc3Cl)[nH]c3cccc1c23,CHEMBL423573,8.1
+O=C1NCCc2c(-c3cccc(C(F)(F)F)c3)[nH]c3cccc1c23,CHEMBL439984,8.22
+O=C1NCCC2C(=O)Nc3cccc1c32,CHEMBL343022,6.43
+CN(C)Cc1cccc(-c2[nH]c3cccc4c3c2CCNC4=O)c1,CHEMBL146943,8.1
+O=C1NCc2c[nH]c3cccc1c23,CHEMBL356104,7.33
+COc1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1,CHEMBL144024,8.22
+CC(C)NC(=O)c1[nH]c2cccc3c2c1CCNC3=O,CHEMBL147482,7.49
+O=C1NCCc2c(-c3ccccc3O)[nH]c3cccc1c23,CHEMBL343019,7.64
+O=C(O)c1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1,CHEMBL147930,6.58
+O=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23,CHEMBL147663,8.22
+CN(C)Cc1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1,CHEMBL148173,8.3
+O=C1NCCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23,CHEMBL345016,8.3
+Nc1cccc(-c2[nH]c3cccc4c3c2CCNC4=O)c1,CHEMBL343263,8.15
+O=C1NCCc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c3cccc1c23,CHEMBL358291,6.64
+Cn1c(-c2ccccc2)c2c3c(cccc31)C(=O)NCC2,CHEMBL144009,8.15
+CC(C)(C)c1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1,CHEMBL143949,7.54
+O=C1NCCc2c[nH]c3cccc1c23,CHEMBL343641,7.42
+O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23,CHEMBL343665,8.15
+COc1[nH]c2cccc3c2c1CCNC3=O,CHEMBL147896,8.0
+O=C1NCCc2c(-c3cccs3)[nH]c3cccc1c23,CHEMBL144084,8.3
+CSc1ccccc1-c1[nH]c2cccc3c2c1CCNC3=O,CHEMBL144060,7.49
+O=C1NCCc2c(C(c3ccccc3)c3ccccc3)[nH]c3cccc1c23,CHEMBL344349,7.64
+O=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O,CHEMBL344113,8.0
+S=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23,CHEMBL144690,7.24
+CNC(=O)c1[nH]c2cccc3c2c1CCNC3=O,CHEMBL147891,7.85
+O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23,CHEMBL357149,8.05
+N#Cc1[nH]c2cccc3c2c1CCNC3=O,CHEMBL147054,7.96
+O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23,CHEMBL148367,8.3
+O=C1NCCn2c(-c3cccc(C(F)(F)F)c3)nc3cccc1c32,CHEMBL303909,7.95
+O=C1NCCn2c(-c3ccc(Cl)cc3)nc3cccc1c32,CHEMBL69407,8.24
+CN(C)Cc1cccc(-c2nc3cccc4c3n2CCNC4=O)c1,CHEMBL417036,8.2
+O=C1NCCn2c(-c3ccc(CO)cc3)nc3cccc1c32,CHEMBL65791,8.38
+O=C1NCCn2c(-c3ccccc3)nc3cccc1c32,CHEMBL63211,8.39
+O=C1NCCn2c(-c3cccc(CO)c3)nc3cccc1c32,CHEMBL432146,8.06
+Cc1nc2cccc3c2n1CCNC3=O,CHEMBL294060,7.35
+CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1,CHEMBL65892,8.24
+O=C1NCCn2c(-c3cccc4ccccc34)nc3cccc1c32,CHEMBL303843,8.31
+O=C1NCCn2c(-c3ccccc3Cl)nc3cccc1c32,CHEMBL304195,8.11
+O=C1NCCc2c(-c3ccc(Cn4cccc4)cc3)[nH]c3cccc1c23,CHEMBL148334,8.22
+NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCCC4)c3)nc12,CHEMBL84328,7.93
+CN(C)Cc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL82434,8.25
+CN(C)Cc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL81125,8.35
+CN1CCN(Cc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1,CHEMBL81831,8.06
+COc1ccc(CN(C)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1,CHEMBL83971,8.23
+NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCCC4)cc3)nc12,CHEMBL419475,8.14
+NC(=O)c1cccc2[nH]c(-c3ccc(CN(CCO)CCO)cc3)nc12,CHEMBL79218,8.35
+NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCOCC4)c3)nc12,CHEMBL443798,7.51
+NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12,CHEMBL81077,7.99
+CNCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL83916,8.445
+NC(=O)c1cccc2[nH]c(-c3cccc(CN(CCO)CCO)c3)nc12,CHEMBL81143,6.57
+NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCC4)cc3)nc12,CHEMBL312135,8.23
+CN1CCN(Cc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)CC1,CHEMBL312719,8.01
+NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12,CHEMBL432166,7.92
+O=C1NCCn2ccc3cccc1c32,CHEMBL366295,6.98
+O=Cc1cn2c3c(cccc13)C(=O)NCC2,CHEMBL187720,6.75
+O=C1NCCn2cc(CO)c3cccc1c32,CHEMBL187344,7.1
+Cc1cn2c3c(cccc13)C(=O)NCC2,CHEMBL188217,6.91
+O=C1NCCn2cc(I)c3cccc1c32,CHEMBL189173,6.52
+COC(=O)c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL189174,6.05
+O=C1NCCn2cc(/C=N/O)c3cccc1c32,CHEMBL189698,8.03
+CO/N=C/c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL362875,6.09
+CO/N=C\c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL363978,6.92
+CC(O)c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL362568,6.16
+CC(=O)c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL187667,6.22
+C/C(=N\O)c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL189466,7.41
+O=C1NCCn2cc(C(O)c3ccccc3)c3cccc1c32,CHEMBL188308,6.42
+O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2,CHEMBL187566,6.47
+O=C1NCCn2cc(/C(=N/O)c3ccccc3)c3cccc1c32,CHEMBL188477,7.42
+O=C1NCCn2c(-c3ccccc3)cc3cccc1c32,CHEMBL189670,7.84
+O=C1NCCn2c(-c3ccc(Cl)cc3)cc3cccc1c32,CHEMBL365630,7.96
+COc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1,CHEMBL426618,8.09
+O=C1NCCn2c(-c3ccc(F)cc3)cc3cccc1c32,CHEMBL361675,7.96
+O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32,CHEMBL185702,7.57
+O=C1NCCn2c(-c3ccccn3)cc3cccc1c32,CHEMBL424802,7.17
+CN(C)Cc1cccc(-c2cc3cccc4c3n2CCNC4=O)c1,CHEMBL188728,8.04
+CNCc1cccc(-c2cc3cccc4c3n2CCNC4=O)c1,CHEMBL362111,8.16
+O=C1NCCn2c(-c3cccc(Cn4cccc4)c3)cc3cccc1c32,CHEMBL426070,7.9
+CN(C)Cc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1,CHEMBL361489,8.19
+CNCc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1,CHEMBL361447,8.42
+O=C1NCCn2c(-c3ccc(Cn4cccc4)cc3)cc3cccc1c32,CHEMBL188989,8.17
+Cc1c(-c2ccccc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL188824,7.39
+Cc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL187389,7.66
+Cc1c(-c2cccc(C(F)(F)F)c2)n2c3c(cccc13)C(=O)NCC2,CHEMBL188690,7.1
+O=Cc1c(-c2ccc(Cl)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL188743,7.37
+O=C1NCCn2c(-c3ccc(Cl)cc3)c(/C=N/O)c3cccc1c32,CHEMBL186461,8.12
+O=C1NCCn2c(-c3ccc(F)cc3)c(/C=N/O)c3cccc1c32,CHEMBL363893,8.22
+N#Cc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL189304,7.27
+NC(=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL187156,6.7
+NC(=S)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL362301,6.66
+N=C(NO)C1c2cccc3c2N(CCNC3=O)C1c1ccc(F)cc1,CHEMBL186776,7.06
+N=NNCc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL361301,7.24
+CC(=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL362516,6.51
+C/C(=N/O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL362322,8.04
+O=C1NCCn2c(-c3ccc(F)cc3)c(-c3cc[nH]n3)c3cccc1c32,CHEMBL360820,6.6
+Cc1cccc2c1CCNC2=O,CHEMBL125200,7.15
+Cc1nc(=O)c2cccc(O)c2[nH]1,CHEMBL123904,7.28
+CC(C)(c1nc2cccc(C(N)=O)c2[nH]1)N1CCCCC1,CHEMBL479937,7.82
+CC(C)(c1nc2cccc(C(N)=O)c2[nH]1)N1CCCC1,CHEMBL481084,8.52
+CN(CC1CCOC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL520922,7.77
+CN(C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481083,7.72
+CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481082,8.05
+CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481081,8.4
+CCNC(=O)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL445012,6.06
+CC(C)(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL482055,7.43
+CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL479780,8.05
+CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL517843,8.15
+CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL479779,8.15
+CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL479778,8.0
+NC(=O)c1cccc2[nH]c(C3(N)Cc4ccccc4C3)nc12,CHEMBL479777,7.24
+NC(=O)c1cccc2[nH]c(C3(N)CCc4ccccc4C3)nc12,CHEMBL520745,7.74
+NC(=O)c1cccc2nc(C3(N)CCCCC3)[nH]c12,CHEMBL481285,7.3
+NC(=O)c1cccc2nc(C3(N)CCC3)[nH]c12,CHEMBL508903,7.6
+NC(=O)c1cccc2nc(C3(N)CC3)[nH]c12,CHEMBL448924,7.6
+CC(C)(N)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481097,7.72
+CC(NS(=O)(=O)N(C)C)c1nc2c(C(N)=O)cccc2[nH]1,CHEMBL481096,6.85
+CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481478,7.35
+CC(CCN)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL481477,7.49
+CC(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL479384,7.46
+CCN(CC)C(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL444957,7.21
+CC(NC1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL445050,7.28
+CC(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL517373,7.48
+CC(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL480896,7.62
+CC(C)NC(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL480895,7.92
+CCCNC(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL480198,7.39
+CC(N)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL480322,7.3
+NC(=O)c1cccc2nc(C3CCCNCC3)[nH]c12,CHEMBL488053,8.3
+NC(=O)c1cccc2nc(C3CCNCC3)[nH]c12,CHEMBL488052,8.3
+NC(=O)c1cccc2nc(C3CCCNC3)[nH]c12,CHEMBL488665,7.96
+NC(=O)c1cccc2nc([C@@H]3CCCCN3)[nH]c12,CHEMBL488664,7.39
+NC(=O)c1cccc2nc([C@H]3CCCCN3)[nH]c12,CHEMBL488497,7.43
+NC(=O)c1cccc2nc(C3CCNC3)[nH]c12,CHEMBL488496,8.4
+NC(=O)c1cccc2nc([C@@H]3CCCN3)[nH]c12,CHEMBL488831,7.52
+NC(=O)c1cccc2nc([C@H]3CCCN3)[nH]c12,CHEMBL488830,8.15
+NC(=O)c1cccc2nc(C3CNC3)[nH]c12,CHEMBL527654,8.22
+NC(=O)c1cccc2nc(C3CCN3)[nH]c12,CHEMBL505655,7.47
+COC1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL444135,7.36
+CN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL454180,7.72
+CC(C)N1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL452539,7.66
+CN1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL453997,7.52
+CC(C)N1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL508421,7.35
+CN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL445724,7.54
+NC(=O)c1cccc2nc(C3CCN(CCc4ccccc4)C3)[nH]c12,CHEMBL453060,8.05
+NC(=O)c1cccc2nc(C3CCN(C4CCCC4)C3)[nH]c12,CHEMBL453059,8.3
+CC(C)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL450698,8.05
+CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL500298,8.1
+CC(C)N1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL451757,7.7
+CC(C)N1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL507699,7.68
+CN1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL451756,7.59
+CN1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL511050,8.1
+NC(=O)c1cccc2nc(C3CN(C4CCCC4)C3)[nH]c12,CHEMBL504878,7.82
+CCCN1CC(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL452785,7.77
+NC(=O)c1cccc2nc(C3CCN3C3CCCC3)[nH]c12,CHEMBL452784,6.74
+CC(C)N1CCC1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL488237,6.96
+NC(=O)c1cccc2nc(C3CCCN(C4CCCC4)CC3)[nH]c12,CHEMBL460474,8.4
+CC(C)N1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL512213,8.3
+N#Cc1ccc(N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)cc1,CHEMBL459853,8.52
+NC(=O)c1cccc2nc(C3CCN(C4CCCC4)CC3)[nH]c12,CHEMBL452025,8.22
+CC(C)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL452801,8.15
+CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL452800,8.1
+CCCN1CCC(c2nc3c(C(N)=O)cccc3n2C)CC1,CHEMBL513621,7.47
+CC(C)N1CCC(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CC1,CHEMBL460261,7.74
+CN1CCN(C)C(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL513446,7.46
+NC(=O)c1cccc2nc(C3CNCCN3)[nH]c12,CHEMBL460259,7.59
+CCN(CC)CCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL460060,7.51
+CN(C)S(=O)(=O)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL460260,7.55
+NC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12,CHEMBL518484,7.57
+CC(=O)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL460268,7.23
+NC(=O)c1cccc2nc([C@@H]3CCC(=O)N3)[nH]c12,CHEMBL460267,7.8
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CNC1,CHEMBL525192,8.4
+C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,CHEMBL506871,8.3
+C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,CHEMBL497608,8.3
+CN1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL497609,8.22
+CN1CCCC1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL504096,7.82
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCNC1,CHEMBL526668,8.4
+CC(C)N1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL495969,8.22
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCCN1,CHEMBL521712,8.3
+NC(=O)c1cccc2nc(C3CCCCN3)[nH]c12,CHEMBL495975,7.6
+CCCN1CCCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL445016,7.72
+CCCN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL509153,6.89
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCNCC1,CHEMBL521714,8.52
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN1,CHEMBL495782,7.89
+CC(C)N1CCC1(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL505909,7.38
+CC(C)N1CC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL506516,8.05
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,CHEMBL521880,8.4
+CC(C)N1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1,CHEMBL525535,7.77
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1C1CCC1,CHEMBL497597,7.51
+CN1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1,CHEMBL498007,8.3
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN(Cc2ccccc2F)C1,CHEMBL498008,8.05
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN(CCc2ccccc2)C1,CHEMBL496976,8.0
+C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCC(=O)N1,CHEMBL497181,7.64
+CCC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,CHEMBL507412,7.89
+CCC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1C(C)C,CHEMBL523083,7.16
+C[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1,CHEMBL495743,8.52
+C[C@]1(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CCCN1,CHEMBL522549,8.0
+CC1(c2nc3c(C(N)=O)cc(C(F)(F)F)cc3[nH]2)CCCN1,CHEMBL495950,5.48
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCNCC1,CHEMBL495942,8.4
+CC(C)N1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)CC1,CHEMBL495951,8.1
+CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN(C2CCCC2)CC1,CHEMBL498015,8.15
+O=c1[nH]c2ccccc2n2cccc12,CHEMBL555751,6.62
+O=c1[nH]c2cc(CNC3CC3)ccc2n2cccc12,CHEMBL553676,7.43
+O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12,CHEMBL556241,8.05
+O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12,CHEMBL571234,8.3
+CC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL549388,7.59
+O=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12,CHEMBL562287,6.79
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.16
+O=c1[nH]c2cc(CNCCN3CCCC3)ccc2n2cccc12,CHEMBL539979,6.88
+O=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12,CHEMBL538642,7.64
+O=c1[nH]c2ccc(CNC3CC3)cc2n2cccc12,CHEMBL549596,7.51
+O=c1[nH]c2ccc(CN3CCCCC3)cc2n2cccc12,CHEMBL549597,7.33
+O=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12,CHEMBL555752,7.32
+O=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL554501,6.83
+O=C(c1ccc2c(c1)[nH]c(=O)c1cccn12)N1CCCC1,CHEMBL557411,7.64
+O=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL558156,6.62
+O=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12,CHEMBL555350,6.55
+CN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12,CHEMBL570304,6.28
+CN(C)Cc1ccc2c(c1)CNC(=O)c1cccn1-2,CHEMBL549524,6.23
+O=C1NCc2cc(CN3CCCC3)ccc2-n2cccc21,CHEMBL550269,5.95
+O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC12,CHEMBL540734,7.02
+CN(C)Cc1ccc2c(c1)NC(=O)C1CCCN21,CHEMBL539660,6.72
+O=C1Nc2cc(CN3CCCC3)ccc2N2CCCCC12,CHEMBL550336,6.94
+CN(C)Cc1ccc2c(c1)NC(=O)C1CCCCN21,CHEMBL541744,7.2
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnco4)cc3)nc12,CHEMBL565882,9.12
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4c[nH]cn4)cc3)nc12,CHEMBL576319,8.92
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc12,CHEMBL565881,8.66
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4cscn4)cc3)nc12,CHEMBL574147,8.77
+Cc1nc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)co1,CHEMBL583933,8.62
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4csc(N)n4)cc3)nc12,CHEMBL571928,8.66
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccccc5n4)cc3)nc12,CHEMBL578397,8.54
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccc(C(F)(F)F)cc5n4)cc3)nc12,CHEMBL569635,8.17
+Cc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1,CHEMBL579023,8.4
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnco4)cc3)nc12,CHEMBL569195,9.0
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12,CHEMBL576910,8.8
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4nn[nH]n4)cc3)nc12,CHEMBL567400,7.7
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=O)o[nH]4)cc3)nc12,CHEMBL578559,7.8
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=O)s[nH]4)cc3)nc12,CHEMBL583526,8.28
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=S)o[nH]4)cc3)nc12,CHEMBL569636,8.42
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccno4)cc3)nc12,CHEMBL568722,8.0
+Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1,CHEMBL578804,8.35
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12,CHEMBL577549,8.605
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12,CHEMBL571285,9.01
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12,CHEMBL576423,8.71
+NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12,CHEMBL578185,8.7
+CN1Cc2cccc(C(N)=O)c2C1=O,CHEMBL611975,6.91
+CC(C)CN1Cc2cccc(C(N)=O)c2C1=O,CHEMBL609617,6.95
+NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2,CHEMBL597888,6.76
+NC(=O)c1cccc2c1C(=O)N(C1CCNC1)C2,CHEMBL597889,7.23
+NC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2,CHEMBL597890,7.48
+NC(=O)c1cccc2c1C(=O)N(C1CCCNC1)C2,CHEMBL598087,6.85
+NC(=O)c1cccc2c1C(=O)N(CC1CCCN1)C2,CHEMBL589755,6.42
+NC(=O)c1cccc2c1C(=O)N(CC1CCNCC1)C2,CHEMBL598088,6.42
+NC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2,CHEMBL598093,6.79
+Cc1cccc(N2Cc3cccc(C(N)=O)c3C2=O)c1,CHEMBL589506,6.58
+CN(C)c1ccc(N2Cc3cccc(C(N)=O)c3C2=O)cc1,CHEMBL611980,7.15
+NC(=O)c1cccc2c1C(=O)N(c1ccc(CN3CCCC3)cc1)C2,CHEMBL596722,7.28
+NC(=O)c1cccc2c1C(=O)N(c1cccc(CN3CCCC3)c1)C2,CHEMBL596925,6.41
+NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2,CHEMBL607848,7.49
+NC(=O)c1cccc2c1C(=O)N(c1cccc(C3CCNCC3)c1)C2,CHEMBL596926,6.5
+CN1CCN(c2ccc(N3Cc4cccc(C(N)=O)c4C3=O)cc2)CC1,CHEMBL598978,7.32
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,CHEMBL1093844,8.52
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12,CHEMBL1093845,8.52
+CN1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1092737,8.3
+CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1,CHEMBL1090582,8.3
+CC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1093898,7.96
+CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1,CHEMBL1093899,7.89
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12,CHEMBL1093900,8.4
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3)nc12,CHEMBL1092691,8.52
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12,CHEMBL1090136,8.7
+CN1CCCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1090482,8.22
+CN1CCCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1,CHEMBL1090483,8.4
+CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1,CHEMBL1093012,8.1
+CC(C)N1CCCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1089474,8.0
+CC(C)N1CCCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1,CHEMBL1092223,7.92
+CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1,CHEMBL1092224,8.15
+NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,CHEMBL1092225,8.7
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,CHEMBL1092226,8.05
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12,CHEMBL1093309,8.52
+NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12,CHEMBL1088787,8.7
+NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12,CHEMBL1088788,8.52
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,8.22
+NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089132,8.7
+NC(=O)c1cccc2[nH]c(-c3ccc([C@H]4CCCN4)cc3F)nc12,CHEMBL1090466,8.4
+NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12,CHEMBL1090467,9.0
+NC(=O)c1cccc2[nH]c(-c3ccc([C@H]4CCCCN4)cc3F)nc12,CHEMBL1089124,8.05
+NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12,CHEMBL1089125,8.22
+O=C1NCCc2c(-c3ccc(CN4CCCC4)cc3)[nH]c3cccc1c23,CHEMBL1173054,8.85
+O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058682,9.15
+O=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058679,8.22
+O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058681,8.85
+Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058678,6.95
+O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058680,8.52
+O=c1[nH]nc(Cc2ccc(F)cc2)c2c1CCCN2,CHEMBL2058677,6.93
+CC1NC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)C1=O,CHEMBL2058683,8.05
+O=C1CCNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058684,7.77
+COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058685,7.92
+CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058686,8.4
+O=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)Nc1ccccc1,CHEMBL2058687,8.85
+O=C(CCC(=O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058688,8.89
+NC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058689,7.77
+CCNC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058690,8.22
+O=C(NC1CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058691,7.85
+O=C(NCCN1CCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,CHEMBL2058692,8.05
+CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058693,8.46
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCNCC1,CHEMBL2058911,8.74
+NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058912,8.8
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCNC[C@H]1c1ccccc1,CHEMBL2058913,8.15
+CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058914,8.22
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C2CCCC2)CC1,CHEMBL2058915,8.6
+O=C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CCN1,CHEMBL2058916,9.05
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CC2)CC1,CHEMBL2058917,8.89
+CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058918,8.89
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C(F)(F)F)CC1,CHEMBL2058919,9.05
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058920,9.05
+CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058921,8.92
+CS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,CHEMBL2058922,9.15
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccc2)CC1,CHEMBL2058923,8.92
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccncc2)CC1,CHEMBL2058924,8.92
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccnc2)CC1,CHEMBL2058925,9.05
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccn2)CC1,CHEMBL2058926,9.05
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cnccn2)CC1,CHEMBL2058927,9.4
+O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL2058928,9.4
+C/C(=N\O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2,CHEMBL2204335,8.04
+CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,CHEMBL1173055,8.85
+Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1,CHEMBL3137320,8.92
diff --git a/chembl_200/CHEMBL313.csv b/chembl_200/CHEMBL313.csv
new file mode 100644
index 0000000000000000000000000000000000000000..59195a3666b4d0b4a57c6fe7297f7c2d052840c1
--- /dev/null
+++ b/chembl_200/CHEMBL313.csv
@@ -0,0 +1,2568 @@
+C[N+](C)(C)c1cccc(O)c1O,CHEMBL57283,4.05
+CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL554565,7.125
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL89752,7.38
+CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL296110,8.15
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1,CHEMBL555280,6.15
+COc1ccc([C@H](CN)[C@@H](O)C2CCCCC2)cc1,CHEMBL540333,6.79
+CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,CHEMBL623,6.86
+Cc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1,CHEMBL544633,7.24
+COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,CHEMBL637,7.437
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539050,8.39
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C,CHEMBL543925,8.59
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C,CHEMBL542501,7.22
+Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1,CHEMBL539054,6.19
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL556025,6.68
+NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539564,7.57
+CCOc1ccccc1OCC1CNCCO1,CHEMBL306700,4.78
+COc1ccc([C@H](CN(C)C)[C@@H](O)C2CCCCC2)cc1,CHEMBL538053,7.52
+NC[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL542746,5.56
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1,CHEMBL545557,7.85
+CN1Cc2c(N)cccc2C(c2ccccc2)C1,CHEMBL273575,6.06
+Nc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL2093944,7.36
+O=[N+]([O-])c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL536947,8.3
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL540617,8.82
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL171474,8.74
+COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1,CHEMBL287257,7.865
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1OC,CHEMBL556545,7.74
+FC(F)(F)c1cccc([C@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL2093945,7.64
+c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL558387,7.91
+CN(C)CCCN1c2ccccc2CCc2ccccc21,CHEMBL1692,7.38
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL538310,8.77
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL539081,8.49
+CNCCCN1c2ccccc2CCc2ccccc21,CHEMBL1696,6.765
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL553692,7.48
+CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1,CHEMBL111065,7.06
+OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL114452,7.08
+OC(COc1cc(F)cc2c1OCCC2)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL112841,7.14
+c1ccc(CCCCN2CCC3(CC2)OCc2c3ccc3ccccc23)cc1,CHEMBL113326,7.55
+O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL326751,7.3
+O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL327126,7.28
+OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL114453,8.0
+O=C1CCc2c(F)ccc(OCC(O)CN3CCC4(CC3)OCc3c4ccc4ccccc34)c21,CHEMBL111713,7.35
+O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL323441,6.92
+OC(COc1ccc(F)c2c1OCCC2)CN1CCC2(CC1)OCc1c2ccc2ccccc12,CHEMBL111021,7.31
+CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL416777,7.9
+C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc12,CHEMBL32797,7.17
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1O,CHEMBL1743819,7.48
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL35071,7.34
+Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL32209,7.14
+COc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL431299,8.14
+Oc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743793,7.61
+COc1cc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc(OC)c1OC,CHEMBL1743783,7.0
+Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL431898,7.64
+COc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743784,6.78
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1OC,CHEMBL1743820,7.74
+c1ccc([C@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL284367,6.37
+Cn1ccc2c1[C@@H](c1ccccc1)CN1CCC[C@@H]21,CHEMBL1743807,6.95
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(F)ccc32)cc1,CHEMBL1743798,8.36
+c1ccc([C@H]2CN3CCC[C@H]3c3ccsc32)cc1,CHEMBL1743767,7.42
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c(Cl)c1,CHEMBL34891,8.09
+CC(=O)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743765,7.81
+Oc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL1743817,6.48
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL285403,7.25
+COc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743795,7.74
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(Cl)ccc32)cc1,CHEMBL35013,8.54
+N#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL35441,8.1
+Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743810,7.36
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL35492,7.0
+c1ccc([C@H]2CN3CCCC[C@H]3c3ccccc32)cc1,CHEMBL32497,6.38
+COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL284981,8.49
+FC(F)(F)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33364,8.31
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL287859,8.07
+c1ccc([C@H]2CN3CCC[C@H]3c3[nH]c4ccccc4c32)cc1,CHEMBL1743805,6.73
+Clc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL33769,6.53
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3cc(Cl)ccc32)cc1,CHEMBL32270,6.63
+C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc12,CHEMBL416959,6.12
+FC(F)(F)c1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL35166,7.91
+Oc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743781,6.2
+O[C@@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743822,6.06
+O[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL285277,6.53
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743794,8.77
+O=[N+]([O-])c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743812,8.28
+C[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743824,7.49
+C#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL286312,9.0
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743773,7.36
+CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21,CHEMBL35337,6.06
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743772,7.53
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743785,8.49
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743782,8.82
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33246,6.82
+COc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL36030,6.34
+CCN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL286455,6.77
+COc1cc2c(cc1OC)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL34875,5.81
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1Cl,CHEMBL287474,8.74
+c1ccc2c(c1)[C@@H]1CCCN1C[C@@H]2C1CCCCC1,CHEMBL1743814,6.84
+Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743778,6.35
+COc1ccc(NC(=O)Nc2ccc([C@@H]3CN4CCC[C@H]4c4ccccc43)cc2)cc1,CHEMBL32720,6.49
+COc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL32726,8.35
+Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743791,8.26
+c1csc([C@H]2CN3CCC[C@H]3c3ccsc32)c1,CHEMBL1743823,7.36
+Oc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743788,7.0
+NC(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL418038,7.72
+Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743799,6.91
+Clc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743790,8.14
+CCCCc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL285902,6.96
+FC(F)(F)c1cccc([C@@H]2CN3CCCC3c3cc(Cl)ccc32)c1,CHEMBL289900,6.92
+Clc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743786,8.32
+c1ccc([C@@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL288784,5.66
+C1=NCC(CC2=Cc3ccccc3CC2)N1,CHEMBL407509,7.4
+Fc1cccc2c1CC(CC1CN=CN1)C2,CHEMBL355467,7.0
+C1=C(Cc2cnc[nH]2)CCc2ccccc21,CHEMBL168201,6.2
+C1=NCC(CC2CCc3ccccc3C2)N1,CHEMBL166748,8.0
+Clc1cccc2c1CC(CC1CN=CN1)CC2,CHEMBL166690,8.3
+Cc1cc2c(cc1C)CC(CC1CN=CN1)C2,CHEMBL168022,7.7
+Cc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL354072,7.9
+C1=NCC(Cc2cc3ccccc3o2)N1,CHEMBL167644,6.0
+CC1(CC2=Cc3ccccc3CC2)CN=CN1,CHEMBL167437,7.2
+FC(F)(F)c1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL352704,6.8
+Clc1cccc2ccc(CC3CN=CN3)cc12,CHEMBL168168,7.5
+C1=NC[C@@H](C2C[C@@]23CCc2ccccc2C3)N1,CHEMBL354611,8.7
+C1=NC[C@H](C2C[C@@]23CCc2ccccc2C3)N1,CHEMBL165467,7.6
+C1=C(CC2=NCCN2)CCc2ccccc21,CHEMBL167493,6.7
+NC1=NCC(CC2=Cc3ccccc3CC2)O1,CHEMBL167515,7.2
+COc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL167665,6.7
+C1=NCC(CC2Cc3ccccc3C2)N1,CHEMBL353843,7.2
+Fc1cc2c(cc1F)CC(CC1CN=CN1)C2,CHEMBL352643,7.9
+Cc1ccc2c(c1)C=C(CC1CN=C(N)O1)CC2,CHEMBL424557,6.6
+NC1=NCC(CC2=Cc3ccccc3CC2)N1,CHEMBL168153,7.4
+C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1,CHEMBL166648,8.0
+C1=NCC2(CC3(Cc4ccccc4C3)C2)N1,CHEMBL167795,5.2
+Fc1ccc2oc(CC3CN=CN3)cc2c1,CHEMBL165645,6.8
+C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1,CHEMBL165529,7.8
+Fc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353139,7.1
+C1=NC[C@H](C2CC23Cc2ccccc2C3)N1,CHEMBL167578,7.3
+C1=NCC(CC2CCc3ccccc3O2)N1,CHEMBL166501,6.3
+NC1=NC(CC2=Cc3ccccc3CC2)CO1,CHEMBL166852,6.8
+C1=NCC(CC2=Cc3ccccc3OC2)N1,CHEMBL168000,6.6
+C1=NCC(CC2COc3ccccc3O2)N1,CHEMBL167649,5.9
+C1=NCC(CC2=Cc3ccccc3C2)N1,CHEMBL166448,7.1
+CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,CHEMBL262777,7.3
+Cc1ccc2c(c1)CCC(CC1CN=CN1)=C2,CHEMBL167394,7.8
+C1=NC[C@@H](C[C@]23CCc4ccccc4C2C3)N1,CHEMBL168205,7.7
+Fc1ccc2c(c1)CC(CC1CN=CN1)C2,CHEMBL90997,7.355
+Clc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL353200,7.7
+C[C@@]1(C[C@H]2CN=CN2)CCc2ccccc2C1,CHEMBL354112,7.5
+Fc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL436234,8.8
+Cc1ccc2c(c1)C=C(CC1CN=CN1)CC2,CHEMBL164118,7.2
+C1=NC[C@@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1,CHEMBL353910,7.6
+COc1cccc2c1C=C(CC1CN=CN1)CC2,CHEMBL352636,7.8
+Cc1ccc2c(c1)CCC(CC1CN=C(N)O1)=C2,CHEMBL168063,7.1
+C1=NC[C@H](C[C@]23CCc4ccccc4C2C3)N1,CHEMBL353212,7.3
+C1=NCC([C@@H]2[C@H]3Cc4ccccc4C[C@H]32)N1,CHEMBL164070,6.2
+C1=NC[C@@H](C2CC23Cc2ccccc2C3)N1,CHEMBL166683,6.4
+COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C(N)=O)cc34)cc12,CHEMBL129682,9.43
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@H](C)C3)cc12,CHEMBL126396,7.54
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@@H](C)C3)cc12,CHEMBL338387,7.12
+COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12,CHEMBL129453,9.16
+COc1cc(OC)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL128866,8.55
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccc(F)cc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL434440,9.41
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12,CHEMBL129205,8.18
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(F)ccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129238,9.62
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@H](C)C3)cc12,CHEMBL338777,7.82
+COc1cccc2sc([C@@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12,CHEMBL129233,9.35
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12,CHEMBL130238,8.91
+COc1cccc2sc([C@@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]ccc34)cc12,CHEMBL126184,9.77
+Cc1cc2c(OC[C@@H](O)CN3CC[C@H](c4cc5cccc(F)c5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129477,7.32
+Cc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL340583,8.89
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)cc12,CHEMBL129053,9.07
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@H](C)C3)cc12,CHEMBL338298,8.48
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cccc(F)c5s4)C[C@H]3C)cccc2[nH]1,CHEMBL338712,7.46
+COc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL339086,8.63
+Cc1cc(C)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3)sc2c1,CHEMBL129605,8.7
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cc(Cl)ccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL440525,8.99
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5c(C)cccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL131370,9.21
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5c(F)cccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL129082,9.04
+Cc1cc2c(OC[C@@H](O)CN3CC[C@H](c4cc5cccc(F)c5s4)C[C@H]3C)cccc2[nH]1,CHEMBL340374,8.22
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5ccccc5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL421660,9.28
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@H](C)C3)cc12,CHEMBL339577,7.79
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@H](C)C3)cc12,CHEMBL338372,6.96
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc45)[C@@H](C)C3)cc12,CHEMBL129433,9.25
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@@H](C)C3)cc12,CHEMBL129650,7.42
+Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5cccc(F)c5s4)C[C@@H]3C)cccc2[nH]1,CHEMBL338632,8.89
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1,CHEMBL291321,7.66
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1Cl,CHEMBL293524,7.13
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1,CHEMBL294259,10.0
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1)c1ccccc1,CHEMBL300155,8.4
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)c(C)c1,CHEMBL56495,8.0
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc2ccccc12,CHEMBL58942,6.92
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58485,7.68
+Clc1ccc(/C=C2\CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl,CHEMBL60915,5.93
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL301275,7.07
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Br)c(Cl)c1)c1ccccc1,CHEMBL301020,8.49
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58253,8.36
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL300146,7.27
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)cc1,CHEMBL60540,7.82
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)c(Cl)c1)c1ccccc1,CHEMBL58858,10.22
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccc1,CHEMBL58414,5.94
+CCC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL58307,8.66
+CNC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL57934,7.53
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL417960,8.8
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL57281,8.51
+CON(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL293574,7.51
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)cc1,CHEMBL58308,6.47
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C(F)(F)F)cc1,CHEMBL418494,7.9
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1,CHEMBL58392,8.03
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)cc1,CHEMBL292394,7.46
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)c(Cl)c1,CHEMBL292129,8.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C(C)C)cc1,CHEMBL58318,7.99
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)c(Cl)c1,CHEMBL294429,8.74
+O=C(CCCCCCCCCC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL265808,8.07
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34,CHEMBL61046,6.07
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)c(Cl)c1,CHEMBL57596,8.64
+CN(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL291494,7.54
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1)c1ccccc1,CHEMBL292469,7.96
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)c(F)c1,CHEMBL58280,7.0
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1Cl,CHEMBL299901,6.45
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1)c1ccccc1,CHEMBL58195,10.0
+O=C(Oc1ccccc1)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL59545,7.32
+Cc1ccc(/C=C2\CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl,CHEMBL294376,8.7
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(OC)cc1,CHEMBL57260,7.25
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(Cl)cc(Cl)c1,CHEMBL300787,6.36
+Clc1ccc(/C=C2\CN3C4CCC3C(/C=C\c3ccccc3)C2C4)cc1Cl,CHEMBL59047,6.61
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1,CHEMBL300818,7.96
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)cc1,CHEMBL293540,6.0
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL57320,7.03
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL298815,7.7
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc2ccccc2c2ccccc12,CHEMBL58960,6.63
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccc(I)cc1,CHEMBL299019,7.31
+Cc1ccc([C@@H](O)[C@@H]2C3CC[C@H](C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2112763,7.15
+Cc1ccc(C2C[C@H]3CCC([C@@H]2CO)N3C)cc1,CHEMBL2112762,4.8
+Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2[C@@H](O)c2ccc(C)cc2)N3C)cc1,CHEMBL2079577,7.18
+O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26478,6.87
+Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL26649,7.44
+O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26477,7.07
+c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL26320,6.21
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27490,6.8
+O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL279461,7.11
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27646,6.64
+O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL283869,6.48
+O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL278616,7.89
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL417660,6.922999999999999
+O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL26013,5.85
+OC(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27826,6.92
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28149,5.67
+OCC(c1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL416194,5.6
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282380,5.74
+OCC(c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL283473,5.42
+COc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL107077,8.96
+CN(C)Cc1ccccc1Sc1ccc(C#N)cc1N,CHEMBL106939,8.96
+CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+](=O)[O-],CHEMBL356755,8.62
+CN(C)Cc1ccccc1Sc1ccc(I)cc1CO,CHEMBL114275,10.005
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-],CHEMBL142517,8.38
+CN(C)Cc1ccccc1Sc1ccc(CF)cc1N,CHEMBL143707,8.96
+Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,CHEMBL22183,8.902000000000001
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N,CHEMBL142158,10.3
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1CO,CHEMBL113382,8.68
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL2021540,6.39
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2,CHEMBL555855,7.35
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL558823,6.83
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL544721,6.34
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2,CHEMBL557821,7.21
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL539254,6.63
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL2021528,6.0
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094050,5.89
+CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094049,6.14
+CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL538234,6.61
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL537994,6.35
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL555180,6.92
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL2094051,6.1
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL2094048,6.28
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL41140,9.776
+CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL310310,5.29
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,5.29
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL3084870,6.59
+CC#Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310869,8.84
+COC(=O)C1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310883,7.52
+COC(=O)C1[C@@H](c2ccc(C#Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310872,8.37
+COC(=O)C1[C@@H](c2ccc(CCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310878,6.95
+COC(=O)C1C(c2ccc3ccccc3c2)CC2CC[C@H]1N2C,CHEMBL2310874,8.98
+COC(=O)C1[C@@H](c2ccc(-c3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310876,8.06
+C=Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310868,9.07
+C#Cc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL3350431,9.4
+C/C=C\c1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310884,8.98
+COC(=O)C1[C@@H](c2ccc(C#CCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310873,6.7
+COC(=O)C1[C@@H](c2ccc(Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310880,6.18
+COC(=O)C1[C@@H](c2ccc(C#CCCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310875,6.91
+COC(=O)C1[C@@H](c2ccc(CCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310877,7.67
+COC(=O)C1[C@@H](c2ccc(C#CCCCCO)cc2)CC2CC[C@H]1N2C,CHEMBL2310870,7.12
+COC(=O)C1[C@@H](c2ccc3ccccc3c2)CC2CC[C@H]1N2C,CHEMBL2310867,10.15
+COC(=O)C1[C@@H](c2ccc(CCCCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310865,6.36
+COC(=O)C1[C@@H](c2ccc(/C=C/Cc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310881,7.15
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C,CHEMBL1790051,6.75
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2373962,7.66
+COC(=O)C1[C@@H](c2ccc(C#CCc3ccccc3)cc2)CC2CC[C@H]1N2C,CHEMBL2310871,8.92
+CCc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC)N3C)cc1,CHEMBL50157,8.59
+CCCc1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310866,8.19
+COC(=O)C1=C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL84680,7.5
+C=C(c1ccccc1)c1ccc([C@H]2CC3CC[C@H](C2C(=O)OC)N3C)cc1,CHEMBL2310879,6.61
+Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL20648,6.04
+N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL35239,5.65
+FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL35005,5.64
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL610897,8.39
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL312037,7.775
+CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,CHEMBL14370,6.3
+CNCCC(Oc1ccccc1OC)c1ccccc1,CHEMBL295467,6.56
+CN1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(I)cc1)C2,CHEMBL1643896,6.8
+Cc1ccc(C2CC3CCC(C2C(=O)OC(C)C)N3C)cc1,CHEMBL321806,5.99
+Cc1ccc(C2CC3CCC(C2C(=O)Oc2ccccc2)N3C)cc1,CHEMBL340912,5.81
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL340761,7.29
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL127546,7.9
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C,CHEMBL97887,8.31
+CC(C)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL127040,6.89
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL163272,6.51
+Fc1ccc(C(OCCN2CCN(Cc3cnc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL164297,6.31
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL159445,6.31
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL160073,6.92
+Fc1ccc(C(OCCN2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL159982,6.61
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL164270,6.54
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ncccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL163163,6.26
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccc(F)cc2)cc1,CHEMBL434093,7.29
+Fc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL34032,6.77
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2c1cc(-c2ccccc2)no1,CHEMBL298580,6.59
+Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL286991,6.87
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,6.61
+COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2,CHEMBL80515,8.14
+COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL67387,8.01
+CCc1cc(C2C(c3ccc(C)cc3)CC3CCC2N3C)on1,CHEMBL317904,6.24
+COc1ccc(-c2cc(C3C(c4ccc(Cl)cc4)CC4CCC3N4C)on2)cc1,CHEMBL320627,6.27
+Cc1ccc(C2CC3CCC(C2c2cc(-c4ccccc4)no2)N3C)cc1,CHEMBL316585,6.33
+COc1ccc(-c2cc(C3C(c4ccc(C)cc4)CC4CCC3N4C)on2)cc1,CHEMBL322856,6.44
+Cc1ccc(C2CC3CCC(C2c2cc(C(C)C)no2)N3C)cc1,CHEMBL322400,5.41
+Cc1ccc(C2CC3CCC(C2c2cc(C)no2)N3C)cc1,CHEMBL103228,6.46
+CC(C)c1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL321780,6.68
+Cc1ccc(-c2cc(C3C(c4ccc(Cl)cc4)CC4CCC3N4C)on2)cc1,CHEMBL322385,6.28
+Cc1ccc(C2CC3CCC(C2c2ccno2)N3C)cc1,CHEMBL317905,7.42
+CN1C2CCC1C(c1ccno1)C(c1ccc(Cl)cc1)C2,CHEMBL103523,8.09
+Cc1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL316528,7.28
+CCc1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1,CHEMBL103227,6.55
+CN1C2CCC1C(c1cc(C(C)(C)C)no1)C(c1ccc(Cl)cc1)C2,CHEMBL100652,5.47
+CN1C2CCC1C(c1cc(-c3ccc(F)cc3)no1)C(c1ccc(Cl)cc1)C2,CHEMBL329517,6.18
+CCc1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1,CHEMBL301562,9.13
+CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL52324,7.01
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C,CHEMBL50858,9.02
+C=C(C)c1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1,CHEMBL51154,10.26
+CCc1ccc([C@H]2C[C@H]3CCC(N3)C2C(=O)OC)cc1I,CHEMBL297507,10.2
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2,CHEMBL301938,7.62
+Cc1ccc([C@H]2C[C@H]3CCC(C2C(=O)OC(C)C)N3C)cc1,CHEMBL298703,6.26
+Cc1ccc([C@H]2C[C@H]3CCC(C2c2ccccc2)N3C)cc1,CHEMBL51771,6.0
+COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2,CHEMBL300220,8.44
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL2373961,9.55
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2C(=O)N1CCCC1,CHEMBL51355,5.95
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2,CHEMBL51617,7.34
+CN1C2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)C2C(=O)OCCc1ccc(N=S)cc1,CHEMBL2310926,9.19
+Cc1ccc(-c2cc(C3C4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,CHEMBL432878,6.28
+COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(Br)cc1)N2C,CHEMBL2310929,9.02
+COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL300226,9.42
+Cc1ccc([C@@H]2C[C@H]3CCC([C@@H]2c2ccccc2)N3C)cc1,CHEMBL421777,6.54
+CN1C2CC[C@@H]1CC(c1ccccc1)[C@@H]2c1ccccc1,CHEMBL607062,5.96
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccccc1)N2C,CHEMBL345026,6.41
+CN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)[C@H]2c1ccccc1,CHEMBL146195,6.91
+CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL145888,7.29
+CCC[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C,CHEMBL607113,7.06
+CCC[C@H]1C(c2ccc(F)cc2)C[C@H]2CCC1N2C,CHEMBL607112,7.66
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C,CHEMBL147787,7.0
+COC(=O)[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C,CHEMBL607111,6.8
+CCC[C@H]1C(c2ccc(C)cc2)C[C@H]2CCC1N2C,CHEMBL607061,7.99
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL148419,7.3
+CCCC[C@H]1C(c2ccc(C)cc2)C[C@H]2CCC1N2C,CHEMBL607063,7.82
+CN1C2CC[C@@H]1C[C@@H](c1ccccc1)[C@H]2c1ccccc1,CHEMBL439629,6.12
+Cc1ccc(C2C[C@H]3CCC([C@H]2c2ccccc2)N3C)cc1,CHEMBL607114,7.13
+Cc1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL65917,5.22
+Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL33902,6.27
+O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL34697,5.56
+Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL33903,5.945
+COC(=O)[C@H](c1ccc(Cl)cc1)[C@H]1CCCN1,CHEMBL300656,5.97
+COC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCN1,CHEMBL53853,8.5
+COC(=O)[C@@H](c1ccc2ccccc2c1)[C@H]1CCCN1,CHEMBL51264,5.69
+COC(=O)[C@H](c1ccc2cc(Br)ccc2c1)[C@@H]1CCCN1,CHEMBL301830,8.1
+COC(=O)[C@H](c1ccc2cc(C)ccc2c1)[C@@H]1CCCN1,CHEMBL50990,8.565
+COC(=O)[C@H](c1ccc(Cl)cc1)[C@@H]1CCCN1,CHEMBL52538,5.72
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCF,CHEMBL105089,6.43
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(I)cc1)C2,CHEMBL318961,8.59
+O=C(OCCF)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL317444,7.88
+Cc1ccc(C2CC3CCC(C2C(=O)OCCCF)N3C)cc1,CHEMBL430504,6.49
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(I)cc1)C2,CHEMBL105693,8.78
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL433159,7.44
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,10.215
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCCF,CHEMBL319052,5.88
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C/C=C/I,CHEMBL2113650,7.3
+COC(=O)[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611177,7.0
+C#CCN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611178,7.0
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1,CHEMBL2113649,7.0
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/I,CHEMBL2113648,6.3
+C/C=C/CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611426,7.12
+CCCc1ccc(C2C[C@H]3CCC([C@H]2C(=O)OC)N3C/C=C/I)cc1,CHEMBL611179,6.52
+C=C(Br)CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611424,6.7
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2Cc1ccccc1C,CHEMBL611181,6.65
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611180,6.02
+COC(=O)[C@H]1C(c2ccc(C(C)C)cc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611427,6.35
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,7.398
+CN1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1,CHEMBL352107,7.23
+NCCc1c[nH]c2ccc(O)cc12,CHEMBL39,6.13
+CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL43355,4.92
+CN1CCN(c2nc3ccccc3c3c2CC2CCC3C2)CC1,CHEMBL287987,4.62
+C=Cc1ccc(C2CC3CCC(N3)C2C(=O)CC)cc1,CHEMBL85492,9.49
+CCC(=O)C1C(c2ccc(C(C)C)cc2)CC2CCC1N2C,CHEMBL278122,7.443
+C=C(C)c1ccc(C2CC3CCC(N3)C2C(=O)CC)cc1,CHEMBL85877,9.96
+CCC(=O)C1C2CCC(CC1c1ccc(C3CCCCC3)cc1)N2,CHEMBL84899,7.07
+CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2,CHEMBL87983,7.72
+CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2,CHEMBL36720,9.65
+CCC(=O)C1C(c2ccc(C(CC)CC)cc2)CC2CCC1N2C,CHEMBL314919,6.27
+C=C(C)c1ccc(C2CC3CCC(C2C(=O)CC)N3C)cc1,CHEMBL82807,9.09
+C=Cc1ccc(C2CC3CCC(C2C(=O)CC)N3C)cc1,CHEMBL314361,8.49
+CCC(=O)C1C2CCC(CC1c1ccc(C(CC)CC)cc1)N2,CHEMBL87678,6.82
+CCC(=O)C1C(c2ccc(C3CCCCC3)cc2)CC2CCC1N2C,CHEMBL87739,7.01
+CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)cc1)N2,CHEMBL85256,8.28
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)s1)C3,CHEMBL61971,7.15
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3,CHEMBL294552,6.42
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C3,CHEMBL59877,6.62
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3,CHEMBL60251,5.9
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(N(C)C)cc2)cc1)C3,CHEMBL59897,6.0
+O=C(OCC1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1)C3)c1ccccc1,CHEMBL445072,6.02
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccco2)cc1)C3,CHEMBL61335,6.61
+COC(=O)[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115487,6.21
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3,CHEMBL59221,5.47
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3,CHEMBL262196,6.44
+CC(=O)OCC1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL59609,7.34
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3,CHEMBL430561,6.83
+OC[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115093,5.81
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(I)cc2)cc1)C3,CHEMBL300548,6.18
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C3,CHEMBL293438,5.65
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3,CHEMBL301199,6.27
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1cc(Cl)c(-c2ccccc2)c(Cl)c1)C3,CHEMBL64630,5.56
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3,CHEMBL64625,6.04
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccs2)cc1)C3,CHEMBL64665,7.14
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3,CHEMBL64757,5.83
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3,CHEMBL59955,6.41
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccsc2)cc1)C3,CHEMBL61529,6.84
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3,CHEMBL303991,6.7
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3,CHEMBL418463,6.67
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccc(Cl)cc2)C1,CHEMBL296994,6.8
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL295463,6.47
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44046,6.27
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296043,6.25
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL434780,7.4
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44864,6.76
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296722,7.25
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL41995,8.92
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL43386,8.68
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL296019,5.11
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL42203,7.6
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1,CHEMBL417705,6.88
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL417527,8.15
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44070,6.14
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL42689,7.22
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccccc2)C1,CHEMBL40196,6.31
+COC(=O)C1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL105845,4.44
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1,CHEMBL2115080,5.81
+COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL323399,6.36
+COC(=O)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2111683,5.73
+COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106024,5.57
+COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108465,5.58
+COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112480,5.66
+COC(=O)C1CN(C(C)C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106025,5.43
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2079591,6.41
+COC(=O)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112481,5.54
+COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108886,5.49
+Cc1noc(C2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL107705,5.22
+OCC1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL321454,6.62
+Cc1noc(C2CNCC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL108598,6.43
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)Nc2ccccc2)C1,CHEMBL103805,5.89
+CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL321940,5.64
+CC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101431,6.05
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL103144,7.43
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1,CHEMBL103297,5.7
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1,CHEMBL103262,7.18
+CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103829,6.64
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1,CHEMBL430481,5.55
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](Cc2noc(-c3ccc4c(c3)OCO4)n2)C1,CHEMBL316749,7.49
+COC(=O)/C=C/[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103191,6.3
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)(C)C)C1,CHEMBL102327,5.24
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCc2ccccc2)C1,CHEMBL102614,5.75
+COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103290,6.59
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1,CHEMBL319805,5.29
+CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101641,6.07
+CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103291,6.72
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL319076,6.42
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccccc2)C1,CHEMBL102483,6.53
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL102319,6.23
+C=CCOC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL102482,6.64
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)OCCCc2ccccc2)C1,CHEMBL103208,7.09
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)O)C1,CHEMBL103739,5.34
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1,CHEMBL103688,6.45
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)N(C)C)C1,CHEMBL102861,4.72
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)Oc2ccccc2)C1,CHEMBL323577,5.67
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1,CHEMBL103195,6.72
+CCC(=O)C1C(c2cccc3ccccc23)CC2CCC1N2C,CHEMBL278572,7.68
+CC(=O)C1C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL22930,8.97
+CC(C)C(=O)C1C(c2ccc3ccccc3c2)CC2CCC1N2C,CHEMBL39589,8.68
+C=C(C)c1c(OC)ccc2cc(C3CC4CCC(C3C(=O)CC)N4C)ccc12,CHEMBL39764,7.06
+CCC(=O)C1C(c2ccc3c(I)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL290412,8.64
+CCC(=O)C1C(c2ccc3c(C(C)=O)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL289849,7.8
+CCC(=O)C1C(c2ccc(C(C)C)c3ccccc23)CC2CCC1N2C,CHEMBL290662,6.87
+CCC(=O)C1C(c2ccc3cc(I)ccc3c2)CC2CCC1N2C,CHEMBL287945,9.43
+CCC(=O)C1C(c2ccc3ccc(I)cc3c2)CC2CCC1N2C,CHEMBL435371,9.33
+CCC(=O)C1C(c2ccc(C)c3ccccc23)CC2CCC1N2C,CHEMBL39340,8.05
+CCC(=O)C1C(c2ccc3cc(C(C)C)ccc3c2)CC2CCC1N2C,CHEMBL416058,8.71
+CCC(=O)C1C(c2ccc3cc(CC)ccc3c2)CC2CCC1N2C,CHEMBL34243,9.42
+CCC(=O)C1C(c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)CC2CCC1N2C,CHEMBL39330,7.82
+CCC(=O)C1C(c2ccc(CC)c3ccccc23)CC2CCC1N2C,CHEMBL285039,6.76
+CCC(=O)C1C(c2ccc3c(CC)c(OC)ccc3c2)CC2CCC1N2C,CHEMBL287940,8.12
+CCC(=O)C1C(c2ccc3cc(OC)ccc3c2)CC2CCC1N2C,CHEMBL39990,8.65
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL318604,9.64
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL318738,7.74
+Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL106481,11.0
+Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL105390,8.93
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3[nH]ccc23)C1,CHEMBL104229,8.84
+Fc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL105204,9.82
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3c2OCCO3)C1,CHEMBL104144,9.77
+C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3ncccc23)C1,CHEMBL442391,8.16
+Fc1ccc2c(C3CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL322915,8.33
+C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3[nH]ccc23)C1,CHEMBL421027,10.52
+CCCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1,CHEMBL343694,4.43
+C=CC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1,CHEMBL434836,7.64
+CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,CHEMBL99946,8.07
+Fc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL409161,6.7
+COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL35045,6.58
+Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL416409,6.78
+N#Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL36141,6.22
+COc1cccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL289013,6.79
+Fc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL35122,6.35
+Fc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL35411,6.43
+COc1ccccc1CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL34372,6.61
+Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL36419,6.48
+Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL285673,6.62
+Fc1ccc(C(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL34591,6.62
+Oc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL146321,6.76
+COc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL149437,6.8
+COc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL356380,6.63
+Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL146372,6.69
+Oc1ccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL347517,6.35
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL27907,5.88
+Oc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL356783,6.35
+COc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL149013,7.0
+COc1ccccc1/C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL146259,6.47
+Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL145903,7.57
+Oc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL145942,6.05
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL283662,6.665
+Oc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL358521,7.14
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL28821,6.15
+Oc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL149565,7.13
+COc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL149014,6.72
+COc1cccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL146370,6.95
+COc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL421948,6.26
+CCCCCCCCCC(=O)OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL341692,8.76
+COc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL278242,6.34
+Oc1cccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL147933,7.33
+Oc1ccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL357295,7.17
+COc1ccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL43124,7.05
+COc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL146255,7.02
+Oc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL422499,6.74
+COc1ccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL146478,6.15
+O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL149622,6.03
+COc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL148441,7.0
+Fc1ccc2[nH]cc(CCNCCOc3cccc4c3OCCO4)c2c1,CHEMBL124700,7.87
+Fc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1,CHEMBL2112644,6.92
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1,CHEMBL125902,8.92
+COc1ccccc1OCCNCCCc1c[nH]c2ccccc12,CHEMBL2112645,7.53
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2,CHEMBL340873,8.3
+Fc1cc(OCCNCCCc2c[nH]c3ccc(F)cc23)c2occc2c1,CHEMBL340895,8.66
+Fc1cc(OCCNCCCc2c[nH]c3ccc(F)cc23)c2c(c1)OCCO2,CHEMBL339490,9.31
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCC2,CHEMBL435612,7.98
+COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12,CHEMBL126484,9.32
+Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2,CHEMBL124069,9.33
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1,CHEMBL126424,8.7
+COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12,CHEMBL332589,7.63
+c1ccc2c(OCCNCCCc3c[nH]c4ccccc34)cccc2c1,CHEMBL126253,6.91
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1,CHEMBL330827,9.41
+Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1,CHEMBL338520,9.41
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCC4)c2c1,CHEMBL338982,8.78
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCCO4)c2c1,CHEMBL419240,10.1
+c1cc(OCCNCCCc2c[nH]c3ccccc23)c2[nH]cnc2c1,CHEMBL331609,7.81
+Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCC2,CHEMBL339810,8.93
+COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12,CHEMBL127171,8.87
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1,CHEMBL126536,8.96
+c1ccc2c(CCCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1,CHEMBL338587,7.71
+COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12,CHEMBL338482,7.37
+c1ccc2c(CCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1,CHEMBL340301,7.7
+COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12,CHEMBL124818,7.5
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1,CHEMBL126407,8.24
+Fc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2,CHEMBL124638,8.17
+Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3CCCC4)c2c1,CHEMBL339559,7.47
+c1cnc2c(OCCNCCCc3c[nH]c4ccccc34)cccc2c1,CHEMBL340705,7.74
+Fc1ccc(OC(CC2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL348492,7.17
+Clc1ccccc1OC(c1ccccc1)C1CCNCC1,CHEMBL356482,8.09
+Cc1c(F)cccc1OC(c1ccccc1)C1CCNCC1,CHEMBL153504,8.28
+N#Cc1ccc(OC(c2ccccc2)C2CCNCC2)cc1Cl,CHEMBL436069,8.41
+Oc1ccc(OC(c2ccccc2)C2CCNCC2)cc1F,CHEMBL357943,7.67
+Fc1ccc(C(Oc2ccccc2)C2CCCNC2)cc1,CHEMBL149626,7.39
+Fc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1,CHEMBL348005,7.11
+Fc1ccc(C(Oc2ccc3c(c2)OCO3)C2CCCNC2)cc1,CHEMBL151140,8.38
+Fc1ccc(OC(c2cccc(F)c2)C2CCNCC2)cc1,CHEMBL356403,8.24
+CNCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL153036,7.51
+COc1cc2c(cc1OC)CN(CCC(Oc1ccccc1C(F)(F)F)c1ccccc1)CC2,CHEMBL358939,6.87
+Fc1ccc(C(Oc2ccc(C(F)(F)F)cc2)C2CCCNC2)cc1,CHEMBL152914,7.58
+COc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1,CHEMBL150958,7.68
+FC(F)(F)c1ccc(OC(c2ccccc2)C2CCNCC2)cc1,CHEMBL346882,7.687
+Brc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL151010,8.0
+Clc1ccc(C(Oc2ccccc2)C2CCNCC2)cc1,CHEMBL153756,7.71
+Clc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL356400,8.642999999999999
+COc1ccc(OC(c2ccc(F)cc2)C2CCNCC2)cc1,CHEMBL150442,9.05
+N#Cc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL153093,8.9
+Fc1ccc(OC(c2ccc(F)cc2)C2CCNCC2)cc1,CHEMBL357051,9.05
+N#Cc1ccc(OC(CC2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL150562,7.77
+COc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1,CHEMBL155619,7.33
+Cc1ccc(C(Oc2cccc(F)c2)C2CCNCC2)cc1,CHEMBL359345,7.85
+c1ccc(OC(c2ccccc2)C2CCNCC2)cc1,CHEMBL447188,8.64
+Fc1ccc(C(Oc2cccc3ccccc23)C2CCCNC2)cc1,CHEMBL423407,7.67
+Ic1ccc(OC(c2ccccc2)C2CCNCC2)cc1,CHEMBL149855,7.69
+Fc1ccc(C(Oc2ccc(Cl)cc2)C2CCCNC2)cc1,CHEMBL153735,7.86
+Oc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL149697,8.7
+Fc1ccc(C(Oc2ccc(Cl)c(Cl)c2)C2CCCNC2)cc1,CHEMBL150959,7.49
+Fc1ccc(OC(c2ccc(Cl)cc2)C2CCNCC2)cc1,CHEMBL153185,8.12
+N#Cc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL356849,8.59
+FC(F)(F)c1ccccc1OC(c1ccccc1)C1CCNCC1,CHEMBL347298,6.91
+Cc1c(Cl)cccc1OC(c1ccccc1)C1CCNCC1,CHEMBL153533,7.91
+Fc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1,CHEMBL155037,7.63
+COc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL358168,8.72
+Cc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1,CHEMBL358474,7.65
+Clc1ccc(OC(c2ccccc2)C2CCNCC2)cc1Cl,CHEMBL152930,8.0
+Oc1c(F)cccc1OC(c1ccccc1)C1CCNCC1,CHEMBL153676,7.81
+N#Cc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1,CHEMBL149694,7.4
+FC(F)(F)c1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL153127,8.05
+COc1cc2c(cc1OC)CN(CCC(Oc1ccccc1F)c1ccccc1)CC2,CHEMBL152707,6.68
+N#Cc1ccccc1OC(c1ccccc1)C1CCNCC1,CHEMBL153274,6.98
+Ic1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL149970,8.43
+Cc1ccc(Cl)cc1OC(c1ccccc1)C1CCNCC1,CHEMBL153532,7.81
+CN1C2CCC1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL129193,5.44
+CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2,CHEMBL126735,4.37
+CN1C2CCC1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL339614,4.72
+CN1C2CCC1CC(=CCOC(c1ccccc1)c1ccccc1)C2,CHEMBL130643,5.08
+CN1C2CCC1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2,CHEMBL415721,4.11
+CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL126235,5.5
+CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL127053,4.16
+Fc1ccc(C(OCC[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3084919,6.93
+CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccccc1)c1ccccc1)C2,CHEMBL3084922,4.835
+CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084921,4.52
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL86830,5.365
+OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL314424,6.1
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL313179,5.67
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1,CHEMBL314433,4.15
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1,CHEMBL433340,4.88
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL316244,5.91
+Fc1ccc(N(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL330021,5.92
+Fc1ccc(N(CCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL87841,5.43
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL84971,5.3
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,5.847
+Fc1ccc(N(CCCN2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL315166,6.88
+CCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1,CHEMBL112817,6.51
+CN1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL113336,6.09
+CN1CCC(C#N)(c2cccc3ccccc23)CC1,CHEMBL324465,5.99
+CN1CCC(C#N)(c2ccc(F)cc2)CC1,CHEMBL324885,5.0
+CN1CCC(C#N)(c2ccc(Cl)cc2)CC1,CHEMBL324886,5.29
+Cc1ccc(C2(C#N)CCN(C)CC2)cc1,CHEMBL111498,4.86
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1,CHEMBL326243,7.727
+CCOC(=O)C1(c2ccc3ccccc3c2)CCN(C)CC1,CHEMBL419744,8.14
+CCOC(=O)C1(c2ccccc2)CCN(C)CC1,CHEMBL607,6.382999999999999
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1,CHEMBL113480,6.56
+CN1CCC(C#N)(c2ccc(I)cc2)CC1,CHEMBL110967,6.37
+CCOC(=O)C1(c2ccc(I)cc2)CCN(C)CC1,CHEMBL113479,7.68
+CCOC(=O)C1(c2ccc(C)cc2)CCN(C)CC1,CHEMBL323600,5.79
+CN1CCC(C#N)(c2ccc3ccccc3c2)CC1,CHEMBL109386,6.9
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)ccc21,CHEMBL543449,8.19
+CN[C@H]1c2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)[C@@H]1O,CHEMBL554033,8.09
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2OC)c2ccc(OC)cc21,CHEMBL545559,8.25
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cccc(OC)c21,CHEMBL541602,6.97
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL543688,8.96
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21,CHEMBL541605,7.21
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2c(OC)cccc21,CHEMBL542500,7.2
+C(COC(c1ccccc1)c1ccccc1)=C1CC2CCC(C1)N2Cc1ccccc1,CHEMBL349548,5.27
+Clc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL157259,6.09
+CN1C2CCC1CC(CCOC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL160391,5.46
+Oc1cccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c1,CHEMBL348583,6.19
+CN1C2CCC1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL157045,5.94
+c1ccc(CN2C3CCC2CC(CCOC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL76603,5.32
+Clc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL346995,5.71
+Fc1ccc(C(OCC=C2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL157183,5.65
+Clc1ccc(C(OCCC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL156286,6.43
+C(OC(c1ccccc1)c1ccccc1)=C1CC2CCC(C1)N2CCCc1ccccc1,CHEMBL160857,5.87
+Fc1ccc(C(OCC=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL348907,6.25
+Fc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL157260,5.84
+Oc1ccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL160246,6.09
+Clc1ccc(C(OCCC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL443291,6.75
+CN(C)CCCSc1nc(-c2ccccc2)nc2ccccc12,CHEMBL70336,5.02
+CN1C2CCC1CC(Oc1nc(-c3ccccc3)nc3ccccc13)C2,CHEMBL70690,5.29
+OC(Cc1ccc(Br)cc1)CN1C2CCC1CC(c1ccccc1)C2,CHEMBL339863,6.63
+O[C@H]1CCCC[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL338411,5.47
+O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL125795,5.77
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Br)cc1,CHEMBL339281,7.52
+O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL127790,5.04
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1,CHEMBL127365,7.57
+O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL126762,5.35
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,7.05
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,5.79
+Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1,CHEMBL542521,5.77
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084623,6.23
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1,CHEMBL539829,6.14
+C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL545574,6.25
+CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084609,6.52
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL544177,5.45
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL541612,5.44
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1,CHEMBL539821,5.88
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL3084621,6.37
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084608,6.13
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084607,6.18
+CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL542275,6.23
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL545342,5.63
+Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1,CHEMBL559215,5.68
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL543231,5.92
+CN1CCC(Sc2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL167908,8.52
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL285066,6.01
+CN1CCN(c2nc3ccccc3c3c2CCc2sccc2-3)CC1,CHEMBL288069,5.34
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC(=O)c2ccccc2)CC1,CHEMBL43304,5.96
+CN1CCN(c2cc3c4c(cccc4n2)-c2ccccc2-3)CC1,CHEMBL43512,5.8
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,CHEMBL115710,4.64
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL115253,6.22
+NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085021,5.34
+CN(C)CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115370,6.3
+Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL324518,5.96
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,CHEMBL112528,6.24
+NCCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115311,6.26
+CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL317757,5.51
+OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL326706,4.84
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL111928,5.11
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL325826,5.89
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085020,5.83
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,CHEMBL327055,5.68
+O=C(CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2)Nc1ccccc1,CHEMBL326604,6.25
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL2308105,6.42
+Cc1ccc(C2CC3CCC(C2c2cc(C(C)(C)C)no2)N3C)cc1,CHEMBL317909,4.59
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL317362,5.73
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C,CHEMBL42553,8.84
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL98279,5.82
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL310650,6.16
+CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL99038,4.92
+CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL95775,5.5
+CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL316634,5.69
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)=C2,CHEMBL28876,6.28
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL28236,6.47
+O[C@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28660,7.52
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)[C@H]2O,CHEMBL286949,8.52
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1,CHEMBL28712,7.23
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)[C@H]2O,CHEMBL28505,7.0
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=C2,CHEMBL28414,7.24
+OC1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL416198,6.32
+O=C1c2ccccc2CCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28867,6.955
+O=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28644,5.24
+C1=C(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc21,CHEMBL28947,5.87
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL283837,5.91
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O,CHEMBL27748,8.525
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)[C@@H]2O,CHEMBL283620,7.03
+Fc1ccc(C(OCCN2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1,CHEMBL28897,6.585
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1,CHEMBL30257,5.48
+OC1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL417305,5.41
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1,CHEMBL31361,6.96
+OC1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29151,6.24
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1,CHEMBL27626,5.87
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)[C@@H]2O,CHEMBL29003,8.52
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1,CHEMBL29286,7.28
+O=C1c2ccccc2CCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL281669,5.98
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1,CHEMBL416752,6.46
+O=C1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28935,6.28
+OC1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28133,6.04
+O=C1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29000,6.01
+OC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28191,5.66
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)C2=O,CHEMBL28907,7.15
+OC1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL430537,5.48
+O[C@@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL29065,6.36
+O[C@@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29040,7.49
+O=C1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282821,5.39
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1,CHEMBL285566,6.82
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL28598,6.16
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1,CHEMBL31571,5.71
+O=C1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28726,5.86
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL28306,5.59
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1,CHEMBL10914,7.3
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1,CHEMBL421862,6.04
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1,CHEMBL283646,6.32
+O=C1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28125,5.48
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1,CHEMBL282312,6.66
+O[C@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL416022,6.3
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,7.38
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,8.87
+COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,CHEMBL294733,7.45
+COC(=O)C1C(c2cccc(-c3ccsc3)c2)CC2CCC1N2C,CHEMBL303232,7.08
+OC(CCN1CCN(C2C=Cc3ccccc3N2)CC1)c1csc2ccccc12,CHEMBL131691,8.0
+OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12,CHEMBL135623,8.14
+OC(CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccc(F)cc12,CHEMBL2112696,8.03
+OC(CCN1CCN(c2cccc3ncccc23)CC1)c1csc2ccccc12,CHEMBL133335,7.49
+OC(CCN1CCN(c2ccnc3ccccc23)CC1)c1csc2ccccc12,CHEMBL337669,7.71
+OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccccc12,CHEMBL335082,7.3
+OC(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL133814,7.09
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccccc12,CHEMBL424083,7.62
+OC(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccc(F)cc12,CHEMBL133614,7.21
+OC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12,CHEMBL339501,8.12
+OC(CCN1CCN(c2ccc3ncccc3c2)CC1)c1csc2ccccc12,CHEMBL334637,8.66
+OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL336842,7.8
+OC(CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccccc12,CHEMBL133755,8.19
+OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccccc12,CHEMBL133476,8.39
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccc(F)cc12,CHEMBL423896,7.67
+OC(CCN1CCN(c2cnc3ccccc3c2)CC1)c1csc2ccccc12,CHEMBL133822,8.38
+OC(CCN1CCN(c2cccc3c2OCO3)CC1)c1csc2ccc(F)cc12,CHEMBL337499,7.24
+OC(CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccccc12,CHEMBL337659,7.11
+OC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12,CHEMBL341434,8.49
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccsc2)CC1,CHEMBL135887,5.19
+COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL137326,6.42
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL134806,8.0
+COc1ccccc1N1CCN(CCC(Oc2ccc3c(c2)OCO3)c2ccccc2)CC1,CHEMBL134595,6.3
+Oc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135890,7.41
+O=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12,CHEMBL132979,6.31
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,7.7
+COc1ccccc1N1CCN(CCC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL133309,6.15
+COc1ccccc1N1CCN(CCC(O)c2ccc([N+](=O)[O-])cc2)CC1,CHEMBL135961,5.6
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL334974,6.46
+COc1ccccc1N1CCN(CC/C(=N\O)c2cc(C)sc2C)CC1,CHEMBL135918,5.3
+COc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL135824,6.76
+COc1ccc(C(CCN2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1,CHEMBL422621,6.19
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL132710,6.54
+COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1,CHEMBL336562,5.3
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1,CHEMBL135826,6.46
+COc1ccccc1N1CCN(CC/C(=N/O)c2ccc(C)s2)CC1,CHEMBL135286,5.3
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL336341,6.66
+OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL137725,5.33
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccsc2)CC1,CHEMBL132764,6.02
+COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL424090,7.92
+Oc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1,CHEMBL337185,6.72
+COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1,CHEMBL132532,6.0
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1,CHEMBL133139,5.82
+COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL135802,5.87
+Cc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL133207,5.6
+O=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1,CHEMBL337671,5.6
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,CHEMBL134598,7.22
+COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1,CHEMBL337869,6.41
+COc1ccccc1N1CCN(CC/C(=N\O)c2csc3ccccc23)CC1,CHEMBL439978,7.02
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccc(C)s2)CC1,CHEMBL337184,7.19
+COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL135451,7.46
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1,CHEMBL134455,6.19
+COc1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1,CHEMBL444335,5.94
+FC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1,CHEMBL135922,5.8
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12,CHEMBL137185,5.3
+O=[N+]([O-])c1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1,CHEMBL434268,5.6
+COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1,CHEMBL334407,6.94
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1,CHEMBL134743,6.82
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,CHEMBL135379,6.7
+COc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1,CHEMBL135669,5.3
+Clc1ccc(N2CCN(CCC(Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1,CHEMBL135586,6.43
+COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL423168,6.56
+COc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1,CHEMBL135564,6.3
+O=[N+]([O-])c1ccc(N2CCN(CCC(O)c3ccccc3)CC2)cc1,CHEMBL137178,5.94
+COc1cc(Cl)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL132924,6.56
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12,CHEMBL136029,6.3
+O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1ccsc1,CHEMBL135295,6.1
+COc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1,CHEMBL135730,5.84
+Fc1ccc(N2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1,CHEMBL135588,6.3
+Cc1cc(C(=O)CCN2CCN(c3cccc4ccccc34)CC2)c(C)s1,CHEMBL441481,6.43
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL134967,6.62
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,6.98
+COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1,CHEMBL135939,5.9
+COc1ccccc1N1CCN(CCC(Oc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1,CHEMBL135785,6.34
+COc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL135272,6.3
+COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1,CHEMBL341381,6.12
+O/N=C(\CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL134805,5.3
+COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135770,6.3
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,CHEMBL424470,6.52
+COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1,CHEMBL132916,6.95
+Cc1cc(C(=O)CCN2CCN(c3ccccc3O)CC2)c(C)s1,CHEMBL132541,6.1
+OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12,CHEMBL337087,7.3
+COc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc12,CHEMBL57385,7.03
+COc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL57277,7.16
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1,CHEMBL300115,7.78
+Oc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc12,CHEMBL301272,7.43
+Cc1c(C2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)sc2ccccc12,CHEMBL299485,7.62
+Cc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL56156,8.43
+Cc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1,CHEMBL60748,7.3
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3c(Cl)cccc3s2)CC1,CHEMBL57296,7.81
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3c(F)cccc3s2)CC1,CHEMBL301677,7.8
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5c(C)cccc5s4)CC3)cccc2[nH]1,CHEMBL294880,7.76
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12,CHEMBL56795,7.9
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5cc(Cl)ccc5s4)CC3)cccc2[nH]1,CHEMBL57528,7.22
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(Cl)cc3s2)CC1,CHEMBL293126,7.86
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3cc(F)ccc3s2)CC1,CHEMBL56147,7.93
+COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)cc12,CHEMBL300340,7.29
+Cc1cc(C)c2cc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)CC3)sc2c1,CHEMBL59437,7.28
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3cc(Cl)ccc3s2)CC1,CHEMBL56303,6.98
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5c(F)cccc5s4)CC3)cccc2[nH]1,CHEMBL417782,7.47
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5cc(F)ccc5s4)CC3)cccc2[nH]1,CHEMBL293065,8.28
+O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(F)cc3s2)CC1,CHEMBL56601,8.7
+Cc1cc2c(OC[C@@H](O)CN3CCC(c4cc5ccc(F)cc5s4)CC3)cccc2[nH]1,CHEMBL297742,7.95
+COC(=O)C1C(c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC2CCC1N2C,CHEMBL50997,6.75
+COC(=O)C1C(c2ccc(-c3cccc(O)c3)cc2)CC2CCC1N2C,CHEMBL51896,8.86
+COC(=O)C1C(c2ccc(-c3cccc(OC)c3)cc2)CC2CCC1N2C,CHEMBL51454,8.72
+COC(=O)C1C(c2ccc(-c3cccc(N)c3)cc2)CC2CCC1N2C,CHEMBL50674,7.17
+COC(=O)C1C(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC2CCC1N2C,CHEMBL301174,9.1
+COC(=O)C1C(c2ccc(-c3cccc(C(C)=O)c3)cc2)CC2CCC1N2C,CHEMBL52334,7.38
+COC(=O)C1C(c2ccc(-c3ccccc3C(C)=O)cc2)CC2CCC1N2C,CHEMBL50886,5.3
+COC(=O)C1C(c2ccc(-c3ccc(OC)cc3)cc2)CC2CCC1N2C,CHEMBL296394,7.49
+COC(=O)C1C(c2ccc(-c3ccccc3OC)cc2)CC2CCC1N2C,CHEMBL299635,7.1
+COC(=O)C1C(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC2CCC1N2C,CHEMBL300511,7.53
+C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL417249,5.84
+Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1,CHEMBL440272,5.92
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL12227,6.43
+Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1,CHEMBL11776,5.68
+CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL11493,5.76
+O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084927,5.83
+CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C(N)C(=O)OC,CHEMBL117681,4.6
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2,CHEMBL112825,5.04
+CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112510,4.83
+CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112509,4.85
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2,CHEMBL113195,4.93
+COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112515,4.86
+COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112508,4.78
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2,CHEMBL2112514,5.1
+O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2,CHEMBL2112516,5.35
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)Oc1ccccc1)C2,CHEMBL2112513,5.43
+CC(C)COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112512,5.1
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2,CHEMBL113144,5.08
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2,CHEMBL2112511,5.23
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(OC)cc1)CN23,CHEMBL612232,7.25
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccs1)CN23,CHEMBL430977,5.69
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(F)cc1)CN23,CHEMBL294117,6.47
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN23,CHEMBL416865,6.21
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccco1)CN23,CHEMBL65346,5.43
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccc4ccccc14)CN23,CHEMBL65878,6.92
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294365,5.28
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccoc1)CN23,CHEMBL303592,6.3
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294105,5.94
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C\c1ccccc1)CN23,CHEMBL64965,5.13
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,CHEMBL65762,7.02
+CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294356,5.98
+O=CN1CCN(c2cc(Br)c3cc([N+](=O)[O-])ccc3n2)CC1,CHEMBL166461,8.76
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3cccs3)c2c1,CHEMBL436441,7.17
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3ccco3)c2c1,CHEMBL166948,8.28
+C=CCc1cc(N2CCNCC2)nc2ccc([N+](=O)[O-])cc12,CHEMBL167358,8.78
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(Br)c2c1,CHEMBL167825,9.43
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(Cc3ccccc3)c2c1,CHEMBL422203,6.9
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(Cl)c2c1,CHEMBL423269,10.52
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(I)c2c1,CHEMBL167475,8.76
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3ccccc3)c2c1,CHEMBL167487,7.22
+C=Cc1cc(N2CCNCC2)nc2ccc([N+](=O)[O-])cc12,CHEMBL166870,8.74
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(CCCF)cc2c1,CHEMBL166280,9.49
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(N3CCCC3)c2c1,CHEMBL353780,7.21
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079663,8.12
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1cccc2ccccc12,CHEMBL3349886,7.0
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccccc2)cc1,CHEMBL3349883,7.21
+CCc1ccc([C@H]2CCN(C)CC2C(=O)OC)cc1,CHEMBL19783,6.59
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079584,7.92
+COC(=O)[C@@H]1CNCC[C@H]1c1ccc2ccccc2c1,CHEMBL3350042,8.46
+C=Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349887,6.86
+C#Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349884,6.76
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079583,7.38
+C=CCc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349885,6.51
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079664,6.72
+CC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL175338,4.88
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)s1,CHEMBL119477,7.54
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1,CHEMBL369497,6.77
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL331565,5.69
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccccc1,CHEMBL366383,8.82
+CC(C)(C)OC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL366993,5.63
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL174854,5.94
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL367744,5.82
+CC(C)(C)C(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL173834,6.77
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)s1,CHEMBL117047,6.75
+CC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C,CHEMBL23141,6.91
+CC(=O)C1C(c2ccc(F)cc2)CC2CCC1N2C,CHEMBL22665,6.07
+CCC(=O)C1C(c2ccc(-c3ccccc3)cc2)CC2CCC1N2C,CHEMBL22518,8.37
+CCC(=O)C1C(c2ccccc2)CC2CCC1N2C,CHEMBL23875,6.0
+CCC(=O)C1C(c2ccc(C(C)(C)C)cc2)CC2CCC1N2C,CHEMBL22377,5.75
+CC(=O)C1C(c2ccccc2)CC2CCC1N2C,CHEMBL416007,5.87
+CCc1ccc(C2CC3CCC(C2C(C)=O)N3C)cc1,CHEMBL23974,7.11
+CCC(=O)C1C(c2ccc(F)cc2)CC2CCC1N2C,CHEMBL23655,6.2
+COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL55780,8.86
+N#Cc1ccc2[nH]cc(C3=CCC(NCc4ccccc4)CC3)c2c1,CHEMBL294398,8.5
+COc1cccc2c1CN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2,CHEMBL291760,8.12
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCCCC4)CC3)c2c1,CHEMBL55722,6.82
+N#Cc1ccc2[nH]cc(C3=CCC(NCCc4ccccc4)CC3)c2c1,CHEMBL57232,8.81
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCCCC4)CC3)c2c1,CHEMBL418093,7.66
+c1ccc(CN[C@H]2CC[C@@H](c3c[nH]c4ccccc43)CC2)cc1,CHEMBL56570,6.07
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](NCc4ccccc4)CC3)c2c1,CHEMBL291739,8.12
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](NCCc4ccccc4)CC3)c2c1,CHEMBL56030,8.12
+N#Cc1ccc2[nH]cc(C3=CCC(N4CCCCC4)CC3)c2c1,CHEMBL298733,6.75
+COc1cccc2c1CCN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL413100,7.92
+COc1ccc2c(c1)CN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2,CHEMBL53945,9.1
+COc1cccc2c1CN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2,CHEMBL57717,9.0
+Fc1ccc2[nH]cc(CCCN3CCc4ccccc4C3)c2c1,CHEMBL57512,8.31
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](NCc4ccccc4)CC3)c2c1,CHEMBL59196,7.6
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCc4ccccc4)CC3)c2c1,CHEMBL293508,7.68
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL54465,8.91
+c1ccc(CN[C@H]2CC[C@H](c3c[nH]c4ccccc43)CC2)cc1,CHEMBL57668,6.97
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1,CHEMBL55505,8.0
+COc1cccc2c1CCN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL54917,9.21
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCc4ccccc4)CC3)c2c1,CHEMBL56102,7.8
+COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2,CHEMBL57567,8.71
+COc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL294481,10.0
+COc1ccc2c(c1)CN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2,CHEMBL292452,7.92
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](NCCc4ccccc4)CC3)c2c1,CHEMBL54364,8.7
+COc1ccc2c(c1)CCN([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2,CHEMBL293583,8.1
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(Br)cc2c1,CHEMBL290523,7.9
+Ic1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL38466,8.18
+O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(N3CCNCC3)ccc2c1,CHEMBL37739,6.5
+NCCNc1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL38754,6.78
+CNCCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL39265,8.07
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,8.777000000000001
+Clc1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL290537,8.77
+O=[N+]([O-])c1ccc2nc(N3CCCNCC3)ccc2c1,CHEMBL43139,8.72
+Brc1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL39164,9.04
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL120490,5.62
+Cc1ccc(C(=O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,CHEMBL331787,5.79
+CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL89142,8.7
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL301514,8.52
+CCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL315697,9.15
+CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL283154,5.585
+COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL21859,5.96
+CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL428704,4.89
+CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL281388,5.58
+CCCC1C(c2ccc(F)cc2)CC2C[C@@H](F)C1N2C,CHEMBL33992,5.9
+CCCC1C(c2ccc(F)cc2)CC2C[C@H](F)C1N2C,CHEMBL33280,6.25
+CCCC1C(c2ccc(F)cc2)CC2CC(F)(F)C1N2C,CHEMBL286179,5.1
+CCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL324031,6.57
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1,CHEMBL334027,5.48
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)nc1,CHEMBL443281,6.09
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(OC)s1,CHEMBL331321,6.26
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccn1,CHEMBL118725,5.5
+CCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL118530,6.46
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(C)c(Br)s1,CHEMBL116369,8.17
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccs2)s1,CHEMBL116431,7.32
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1,CHEMBL331639,7.03
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cnccn1,CHEMBL116374,5.15
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1,CHEMBL119137,6.27
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2)s1,CHEMBL325404,7.15
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)s1,CHEMBL331425,7.44
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cnc(OC)nc1OC,CHEMBL118500,5.29
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)s1,CHEMBL118261,7.28
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(OC)n1,CHEMBL440332,6.32
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccsc1,CHEMBL333912,5.5
+CCCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL118853,6.18
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccnc1,CHEMBL331780,5.34
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1F,CHEMBL49736,5.85
+COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C,CHEMBL120901,6.81
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl,CHEMBL52392,6.07
+N=c1scc(-c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL296907,6.4
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1N1CCOCC1,CHEMBL50901,6.37
+Cc1ccc(-c2csc(=N)n2-c2ccc(Cl)cc2)cc1,CHEMBL51993,5.58
+N=c1scc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL297102,7.17
+Cc1cc(-n2c(-c3c(F)cccc3F)csc2=N)ccc1Cl,CHEMBL301094,6.36
+Cc1cc(-c2csc(=N)n2-c2ccc(Cl)cc2)ccc1Cl,CHEMBL48892,6.65
+CCOC(=O)C1C2CCC(CC1c1ccc3c(ccn3CC)c1)N2,CHEMBL342774,8.52
+CCOC(=O)C1C(c2ccc3c(ccn3CC)c2)CC2CCC1N2C,CHEMBL450620,8.26
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2,CHEMBL145151,6.95
+CCOC(=O)C1C(c2ccc(-c3cccn3Cc3ccccc3)cc2)CC2CCC1N2C,CHEMBL344087,7.23
+CCOC(=O)C1C(c2ccc(-c3cccn3C)cc2)CC2CCC1N2C,CHEMBL144323,7.59
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3ccc(C)n3C)cc1)N2,CHEMBL358516,7.31
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3c(C)ccn3C)cc1)N2,CHEMBL143279,7.31
+CCOC(=O)C1C(c2ccc3c(ccn3C)c2)CC2CCC1N2C,CHEMBL357890,8.55
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2,CHEMBL343441,8.2
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3cccn3CC)cc1)N2,CHEMBL344088,7.8
+CCOC(=O)C1C(c2ccc(-c3cccn3CC)cc2)CC2CCC1N2C,CHEMBL356334,6.47
+CCOC(=O)C1C2CCC(CC1c1ccc3c(ccn3C)c1)N2,CHEMBL144348,8.76
+CCOC(=O)C1C2CCC(CC1c1ccc(-c3cccn3C)cc1)N2,CHEMBL144373,8.98
+CC(C)c1noc([C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1,CHEMBL304678,5.91
+CC(C)c1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL265226,5.53
+C[C@H]1C[C@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80173,9.41
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL76747,9.57
+C[C@H]1C[C@H](c2cc3ccccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL311701,9.29
+Cc1cc(C)c2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)sc2c1,CHEMBL79543,8.71
+O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@@H](c1cc3ccccc3s1)C2,CHEMBL309666,10.15
+C[C@H]1C[C@H](c2cc3c(F)cccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL78450,8.94
+C[C@H]1C[C@H](c2cc3ccc(Cl)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80618,8.96
+COc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)sc2c1,CHEMBL78405,8.96
+C[C@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL78202,8.37
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL310883,7.87
+C[C@H]1C[C@H](c2cc3c(C(F)(F)F)cccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL80777,8.46
+C[C@H]1C[C@H](c2cc3c(Cl)cccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL310402,9.16
+C[C@H]1C[C@H](c2cc3cc(Cl)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL79151,9.24
+COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL308388,8.94
+Cc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc12,CHEMBL311964,9.36
+C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL309396,9.51
+COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@H](C)C3)cc12,CHEMBL307874,7.83
+C[C@H]1C[C@H](c2cc3cccc(F)c3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL305833,8.46
+Cc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)sc2c1,CHEMBL80678,8.65
+COc1ccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc45)[C@@H](C)C3)cc2c1OC,CHEMBL310063,7.97
+C[C@@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL79205,9.0
+C[C@@H]1C[C@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12,CHEMBL309304,8.45
+O=C1c2ccccc2C(=O)N1CCCCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL338270,9.1
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,9.22
+O=C(CCCN1CCC(CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1,CHEMBL423706,8.7
+O=C1c2ccc(F)cc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL421902,8.7
+O=C1c2ccc(F)cc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL336771,8.89
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL133524,8.6
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL414433,8.6
+O=C1c2ccccc2C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL334956,7.6
+Cc1ccc2c(c1)C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O,CHEMBL340220,8.52
+Cc1ccc2c(c1)C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccccc34)CC1)C2=O,CHEMBL130261,8.7
+C1=C(c2c[nH]c3ccccc23)CCNC1,CHEMBL27811,8.22
+Cc1cccc2c1C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccccc34)CC1)C2=O,CHEMBL129852,9.0
+Cc1cccc2c1C(=O)N(CCCCCN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O,CHEMBL335259,9.0
+O=C1c2cccc(F)c2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL339098,9.1
+O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL129979,7.8
+O=C1c2cccc(F)c2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL335844,9.4
+c1ccc2c(CCC3CCNCC3)c[nH]c2c1,CHEMBL276520,8.667
+Cc1cccc2c(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c[nH]c12,CHEMBL422618,8.89
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCCCCN1C(=O)c2ccccc2C1=O,CHEMBL423692,9.7
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCN1C(=O)c2ccccc2C1=O,CHEMBL432029,9.47
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O,CHEMBL2112550,9.23
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCN1C(=O)c2ccccc2C1=O,CHEMBL114547,9.08
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCN1C(=O)c2ccccc2C1=O,CHEMBL114837,9.68
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCF,CHEMBL358006,9.85
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCI,CHEMBL153200,8.05
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCOS(C)(=O)=O,CHEMBL153602,7.76
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC1CC1,CHEMBL150084,8.89
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC(F)F,CHEMBL356166,8.02
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCO,CHEMBL357300,8.6
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCl,CHEMBL345553,9.49
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCF,CHEMBL346872,7.66
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC(OC)OC,CHEMBL153361,8.77
+COC(=O)CN1C2CCC1C(C(=O)OC)C(c1ccc(I)cc1)C2,CHEMBL149801,9.09
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C(=O)C(C)C,CHEMBL153121,6.99
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL345760,7.31
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C,CHEMBL2112890,8.19
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCBr,CHEMBL356652,9.46
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2,CHEMBL93171,8.64
+COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL422597,7.85
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL91157,8.41
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2,CHEMBL419316,8.175
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2,CHEMBL94435,8.3
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2,CHEMBL93801,8.14
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2,CHEMBL91297,8.41
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,8.83
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,8.695
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,8.4
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2,CHEMBL420830,7.46
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2,CHEMBL92496,6.7
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2,CHEMBL90966,8.09
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2,CHEMBL90419,8.0
+COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1,CHEMBL90247,7.72
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2,CHEMBL328735,6.91
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2,CHEMBL93489,8.08
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2,CHEMBL327875,8.0
+C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1,CHEMBL90943,7.8
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2,CHEMBL91824,7.85
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2,CHEMBL90843,6.8
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2,CHEMBL94129,8.77
+COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2,CHEMBL328377,8.39
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(Cl)c(Cl)ccc23)CC1,CHEMBL84305,9.55
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL83112,9.12
+COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c2c1,CHEMBL84171,8.46
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)c(F)ccc23)CC1,CHEMBL82523,9.52
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2[nH]nc3cc(F)ccc23)CC1,CHEMBL441259,9.3
+Cn1nc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL442974,9.27
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccc(F)cc23)CC1,CHEMBL83732,7.89
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2coc3cc(F)ccc23)CC1,CHEMBL82488,9.54
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1,CHEMBL81191,8.49
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2nsc3cc(F)ccc23)CC1,CHEMBL444843,7.28
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2cccc3ccccc23)CC1,CHEMBL79693,7.82
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1169435,9.52
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL83617,9.96
+Cn1cc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL311323,9.01
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL79561,8.8
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1,CHEMBL309872,9.42
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1,CHEMBL313452,9.0
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc3cc(F)ccc3c2)CC1,CHEMBL310082,8.66
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL310744,7.72
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2noc3cc(F)ccc23)CC1,CHEMBL79853,8.1
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2csc3cc(F)ccc23)CC1,CHEMBL81703,9.0
+C[C@H]1CC(c2c[nH]c3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL311787,9.11
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)C1,CHEMBL79725,8.68
+N#Cc1cccc2c(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c[nH]c12,CHEMBL311694,8.68
+NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1159649,9.7
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc(F)c3ccoc23)CC1,CHEMBL2112307,8.72
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL79674,8.7
+O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1I,CHEMBL91817,9.72
+CC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL88320,10.09
+C[C@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112915,6.88
+C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112916,6.86
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1,CHEMBL91574,6.48
+COc1ccc(C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)cc1,CHEMBL92231,7.04
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)C1,CHEMBL92880,7.46
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1,CHEMBL432034,7.16
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)C1,CHEMBL93135,6.86
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)C1,CHEMBL327329,9.49
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1,CHEMBL94108,7.08
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1,CHEMBL91872,7.48
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccccc3)cc2)C1,CHEMBL433411,7.52
+Cc1ccc(C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)cc1,CHEMBL330680,6.71
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)CCc3ccccc3)cc2)C1,CHEMBL93211,7.17
+CN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1,CHEMBL275060,6.08
+CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1,CHEMBL13425,6.42
+CN1C[C@@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1,CHEMBL269445,6.27
+CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,CHEMBL268999,6.28
+CN1C[C@@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL275541,6.64
+CN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1,CHEMBL276841,6.12
+CN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)C2c1ccc(F)cc1,CHEMBL607109,6.34
+Fc1ccc(OCCN2C3CC[C@@H]2C[C@@H](c2ccc(F)cc2)C3c2ccc(F)cc2)cc1,CHEMBL607058,6.03
+Fc1ccc(C2C3CCC(C[C@H]2c2ccc(F)cc2)N3)cc1,CHEMBL325330,7.39
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3Cc2ccccc2)cc1,CHEMBL607001,6.31
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCCCc2ccccc2)cc1,CHEMBL607056,6.96
+Cc1ccc([C@@H]2C[C@H]3CCC(C2c2ccccc2)N3C)cc1,CHEMBL607055,6.92
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1,CHEMBL607002,6.22
+Cc1ccc([C@@H]2C[C@H]3CCC(C2c2ccccc2)N3CCc2ccccc2)cc1,CHEMBL607057,6.74
+CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL171565,7.8
+CCC(=O)C1C2CCC(CC1c1ccc(/C=C/I)cc1)N2,CHEMBL352913,9.21
+Cc1ccc(C2CC3CCC(C2C(=O)CC/C=C/I)N3C)cc1,CHEMBL169320,7.29
+CCC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL168305,7.71
+CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2,CHEMBL169117,8.97
+CCC(=O)C1C2CCC(CC1c1ccc(/C=C(\C)I)cc1)N2,CHEMBL423275,9.24
+CCC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL352698,8.73
+CCC(=O)C1C(c2ccc(-c3cccn3C)cc2)CC2CCC1N2C/C=C\I,CHEMBL355733,7.88
+CCC(=O)C1C(c2ccc(I)c(Cl)c2)CC2CCC1N2C,CHEMBL168455,8.94
+CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2,CHEMBL355734,8.14
+CCC(=O)C1C2CCC(CC1c1ccc(/C=C(/C)I)cc1)N2,CHEMBL355259,9.89
+CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL354725,8.61
+CCC(=O)C1C(c2ccc(I)c(F)c2)CC2CCC1N2C,CHEMBL355650,8.04
+CCC(=O)C1C(c2ccc(-c3cccn3C)cc2)CC2CCC1N2C/C=C/I,CHEMBL169361,8.55
+Clc1ccc([C@@H]2CCN3C/C(=N\OCc4ccccc4)C2C3)cc1,CHEMBL46773,6.93
+Clc1ccc([C@@H]2CCN3C/C(=N\OCCCc4ccccc4)C2C3)cc1,CHEMBL46536,6.53
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCCCc2ccccc2)C1,CHEMBL44922,5.75
+CO/N=C1\CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL45111,5.675
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)C1,CHEMBL43713,5.59
+CO/N=C1/CN2CC[C@H](c3ccc(Cl)cc3)C1C2,CHEMBL295882,6.07
+COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL46413,5.15
+CC(C)(C)O/N=C1\CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL295880,6.86
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCc2ccccc2)C1,CHEMBL47068,5.67
+C[C@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112788,5.93
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1,CHEMBL2112784,4.88
+C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1,CHEMBL2112791,5.68
+C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)N1,CHEMBL2112789,5.95
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112787,6.66
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C,CHEMBL2112760,6.43
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112783,7.35
+C[C@H]1CN(CCCn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112790,5.73
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1,CHEMBL314726,5.79
+c1ccc2c(c1)OCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL64879,6.44
+c1ccc2c(c1)OCCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL59871,6.48
+c1ccc2c(c1)CCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL62636,5.59
+CNCc1ccccc1Sc1ccc(I)cc1N,CHEMBL278809,8.9
+COCc1cc(I)ccc1Sc1ccccc1CN(C)C,CHEMBL284002,8.6
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1N,CHEMBL22216,8.65
+CN(C)Cc1ccccc1Sc1ccc(F)cc1CO,CHEMBL22743,8.1
+CNCc1ccccc1Sc1ccc(Br)cc1N,CHEMBL23033,8.83
+CN(C)Cc1ccccc1Sc1ccc(/C=C/I)cc1N,CHEMBL277045,7.27
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO,CHEMBL278165,8.72
+CN(C)C(=O)c1ccccc1Sc1ccc(F)cc1C=O,CHEMBL22436,6.16
+CNCc1ccccc1Sc1ccc(I)cc1CO,CHEMBL429065,9.01
+CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N,CHEMBL22643,7.71
+COCc1cc(Br)ccc1Sc1ccccc1CN(C)C,CHEMBL22259,8.56
+CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL189147,5.97
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1,CHEMBL371349,5.87
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1,CHEMBL195475,6.46
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2F)cc1,CHEMBL191985,6.33
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(F)c2)cc1,CHEMBL195404,6.86
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(F)cc2)cc1,CHEMBL371816,5.86
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(C(F)(F)F)c2)cc1,CHEMBL195138,5.93
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccc(F)c(F)c4)cc1)CN23,CHEMBL2113083,6.53
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4cc(F)cc(F)c4)cc1)CN23,CHEMBL2113081,8.92
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1,CHEMBL363189,5.97
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccsc2)s1,CHEMBL195146,7.49
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccccc1,CHEMBL194024,6.68
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(F)cc1,CHEMBL371679,7.77
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cccc(F)c1,CHEMBL193806,6.5
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(F)c(F)c1,CHEMBL194439,7.16
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(C)c(F)c1,CHEMBL371344,6.04
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cc(F)ccc1F,CHEMBL195709,6.67
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1c(F)cccc1F,CHEMBL195181,7.49
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1cccs1,CHEMBL365519,6.85
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccsc1,CHEMBL194329,7.07
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2c1CCC2,CHEMBL186968,8.3
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2ncccc12,CHEMBL187329,9.4
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2cccnc12,CHEMBL187745,9.3
+C1=C(c2cc3ccccc3[nH]2)CC2CCC1N2CCOc1cccc2ncccc12,CHEMBL366091,7.96
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2[nH]ccc12,CHEMBL185624,9.7
+Clc1ccc(C2=CC3CCC(C2)N3CCOc2cccc3[nH]ccc23)cc1Cl,CHEMBL186140,9.3
+C1=C(c2csc3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12,CHEMBL184216,7.82
+Cn1ccc2c(OCCN3C4C=C(c5ccc6ccccc6c5)CC3CC4)cccc21,CHEMBL363700,8.36
+C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12,CHEMBL360637,8.92
+C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2c1OCCO2,CHEMBL2113030,8.4
+C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCCOc1cccc2[nH]ccc12,CHEMBL361916,9.19
+C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCCOc1cccc2[nH]ccc12,CHEMBL185494,9.85
+O[C@H](COc1cccc2[nH]ccc12)CN1C2C=C(c3ccc4ccccc4c3)CC1CC2,CHEMBL186202,9.27
+Clc1ccc(C2=CC3CCC(C2)N3CCCOc2cccc3[nH]ccc23)cc1Cl,CHEMBL406134,9.19
+O[C@H](COc1cccc2[nH]ccc12)CN1C2C=C(c3ccc(Cl)c(Cl)c3)CC1CC2,CHEMBL441316,9.42
+O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2113049,5.02
+COc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)CC2O)cc1,CHEMBL2112056,6.17
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc(F)cc1,CHEMBL2113047,5.3
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2112057,5.58
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1,CHEMBL2112058,5.26
+COc1ccc(CNC2C[C@H](C(c3ccccc3)c3ccccc3)OC[C@@H]2O)cc1,CHEMBL2112059,5.47
+O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2112060,5.4
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1,CHEMBL211484,7.67
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1,CHEMBL2112061,6.22
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2113044,5.49
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1,CHEMBL2113048,6.15
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)c(OC)c1,CHEMBL2113050,7.68
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)cc(OC)c1,CHEMBL2113053,7.71
+COc1ccc(CNC2C[C@@H](C(c3ccccc3)c3ccccc3)OC[C@H]2O)cc1,CHEMBL2113052,6.1
+COC(=O)C1C(c2ccc(-c3cscc3Br)cc2)CC2CCC1N2C,CHEMBL433560,8.4
+COC(=O)C1C(c2ccc(-c3ccc(I)s3)cc2)CC2CCC1N2C,CHEMBL178773,8.34
+COC(=O)C1C(c2ccc(-c3ccc(N)s3)cc2)CC2CCC1N2C,CHEMBL181613,7.19
+COC(=O)C1C(c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)CC2CCC1N2C,CHEMBL180618,5.3
+COC(=O)C1C(c2ccc(-c3ccsc3)cc2)CC2CCC1N2C,CHEMBL435287,10.77
+COC(=O)C1C2CCC(CC1c1ccc(-c3cccs3)cc1)N2,CHEMBL181557,9.96
+COC(=O)C1C(c2ccc(-c3cccs3)cc2)CC2CCC1N2C,CHEMBL181609,9.82
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccsc3)cc1)N2,CHEMBL179498,9.64
+COC(=O)C1C(c2ccc(-c3ccc(Br)s3)cc2)CC2CCC1N2C,CHEMBL180918,9.42
+COC(=O)C1C(c2ccc(-c3ccc(Cl)s3)cc2)CC2CCC1N2C,CHEMBL369098,9.19
+COC(=O)C1C(c2ccc(C)c(F)c2)CC2CCC1N2C,CHEMBL192195,6.55
+COC(=O)C1C(c2ccc(F)c(C)c2)CC2CCC1N2C,CHEMBL192035,6.59
+COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2,CHEMBL365738,7.62
+COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2,CHEMBL195738,7.77
+COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2,CHEMBL192924,7.57
+COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2,CHEMBL366159,7.26
+COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2,CHEMBL371607,7.86
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(Br)cc1)C2,CHEMBL365649,8.54
+O=C(OCCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL184807,9.52
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(Br)cc1)C2,CHEMBL185608,8.29
+O=C(OCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL186119,9.62
+O=C(OCCF)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL186306,9.74
+O=C(OCCF)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL184123,7.74
+CN1C2CCC1C(C(=O)NCCF)C(c1ccc(Br)cc1)C2,CHEMBL365413,7.41
+CN1C2CCC1C(C(=O)NCCF)C(c1ccc(I)cc1)C2,CHEMBL183259,7.51
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(Br)cc1)C2,CHEMBL362565,8.78
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL187299,9.21
+COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL365623,9.02
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL370758,6.01
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6c5OCCO6)CC4)CC3)c2c1,CHEMBL361526,7.17
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL359495,8.275
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL178267,7.31
+COc1ccccc1OCCN[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc32)CC1,CHEMBL180817,8.4
+COc1ccccc1OCCN[C@H]1CC[C@H](c2c[nH]c3ccc(F)cc32)CC1,CHEMBL359505,8.19
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL178304,7.92
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCCOc4cccc5c4OCCO5)CC3)c2c1,CHEMBL362823,8.98
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCCOc4cccc5[nH]ccc45)CC3)c2c1,CHEMBL178467,7.9
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCCOc4cccc5[nH]ccc45)CC3)c2c1,CHEMBL359549,8.76
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCC4COc5ccccc5O4)CC3)c2c1,CHEMBL181680,7.63
+Fc1ccc2[nH]cc([C@H]3CC[C@H](NCC4COc5ccccc5O4)CC3)c2c1,CHEMBL362430,7.85
+COc1ccccc1N1CCN([C@H]2CC[C@@H](c3c[nH]c4ccc(F)cc43)CC2)CC1,CHEMBL181784,8.48
+COc1ccccc1N1CCN([C@H]2CC[C@H](c3c[nH]c4ccc(F)cc43)CC2)CC1,CHEMBL181506,7.34
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6c5OCCO6)CC4)CC3)c2c1,CHEMBL360140,8.27
+NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1,CHEMBL191287,6.11
+CN1CCC(c2ccc(Cl)cc2)C(CI)C1,CHEMBL364469,6.62
+COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL372709,6.68
+COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188276,6.09
+CN1CCC(c2ccc(Cl)cc2)C(CSCCO)C1,CHEMBL373108,6.8
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCO)C1,CHEMBL365227,5.66
+COCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191494,6.72
+COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188357,6.33
+CC(=O)OCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL364536,7.24
+CC(=O)OCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL193244,7.06
+CN1CCC(c2ccc(Cl)cc2)C(CSCCOC(=O)c2ccccc2)C1,CHEMBL373127,8.17
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCOC(=O)c2ccccc2)C1,CHEMBL189693,6.7
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(N)=O)C1,CHEMBL363738,6.25
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)NO)C1,CHEMBL192936,6.64
+CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL192801,6.96
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N(C)C)C1,CHEMBL360834,7.06
+CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188557,8.96
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N2CCCCC2)C1,CHEMBL191330,8.35
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(N)=O)C1,CHEMBL371338,5.24
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)NO)C1,CHEMBL190218,5.75
+CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191428,5.69
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N(C)C)C1,CHEMBL188219,6.03
+CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191560,6.33
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N2CCCCC2)C1,CHEMBL190173,6.08
+Cc1noc(CSCC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371416,6.66
+Cc1noc(CS(=O)CC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371580,5.97
+COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL188143,7.89
+NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL364217,6.77
+O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1,CHEMBL180700,7.1
+O=C1COc2ccc(OC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL183332,7.5
+O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1,CHEMBL183034,7.3
+O=C1COc2ccc(OCC3CCCN(CCOc4cccc5ncccc45)C3)cc2N1,CHEMBL183901,7.1
+O=C1COc2ccc(CN3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL180182,7.5
+O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1,CHEMBL180557,8.2
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,8.133
+O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]ccc45)CC3)cc2N1,CHEMBL2113021,8.3
+N#Cc1cc2c(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)cccc2[nH]1,CHEMBL3706797,8.1
+CC1(C)OC2C=CC=CC2=C1OCCN1CCC(Oc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL180405,7.6
+O=C1COc2ccc(OC3CCN(CCOc4cccc5ccccc45)CC3)cc2N1,CHEMBL180445,7.0
+O=C1COc2ccc(OC3CCN(CCOc4nccc5ccccc45)CC3)cc2N1,CHEMBL183551,7.3
+O=C1COc2ccc(OC3CCN(CCOc4cccc5cccnc45)CC3)cc2N1,CHEMBL181186,7.4
+Cc1ccc2c(OCCN3CCN(CN4C=Cc5cc(O)ccc5O4)CC3)cccc2n1,CHEMBL192176,7.6
+Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL365810,6.0
+Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL192536,6.5
+Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL191605,7.3
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cccc2n1,CHEMBL364495,6.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1,CHEMBL191980,6.3
+Cc1ccc2c(OCCN3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1,CHEMBL191619,5.9
+Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1,CHEMBL363413,5.9
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.5
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1,CHEMBL190190,6.4
+Cc1ccc2c(OCCN3CCN(Cc4cccc5nc[nH]c45)CC3)cccc2n1,CHEMBL190298,6.1
+c1cc2c(c(N3CCN(Cc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL195015,6.75
+c1cc2c(c(N3CCN(CCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL196505,7.92
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL196171,9.4
+c1cc2c(c(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL194844,7.22
+c1cc2c(c(N3CCN(CCCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2,CHEMBL263329,7.43
+Fc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12,CHEMBL193854,9.4
+Fc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL193501,9.52
+Fc1ccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL369984,8.8
+Fc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL196893,9.22
+COc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL196132,7.85
+Clc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12,CHEMBL365605,8.85
+Clc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL370359,9.3
+Clc1ccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c2c1,CHEMBL194240,8.7
+Clc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL194510,8.1
+Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1,CHEMBL198107,9.4
+Cc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12,CHEMBL372735,7.92
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2,CHEMBL198812,8.96
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2,CHEMBL198040,8.96
+CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1,CHEMBL198041,8.13
+CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1,CHEMBL197839,8.57
+O=C1CCc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)N1,CHEMBL383396,8.82
+O=C1COc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)N1,CHEMBL198069,9.22
+CC1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198070,9.4
+CC1(C)Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL199045,8.55
+CC1Oc2c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)cccc2N(C)C1=O,CHEMBL197943,8.85
+c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCN2,CHEMBL197665,8.82
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198216,9.3
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O,CHEMBL198224,9.0
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,9.7
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL370457,9.15
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O,CHEMBL196172,8.62
+C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O,CHEMBL198357,8.52
+COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL198641,7.16
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL197539,6.26
+CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197423,6.94
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL383360,6.86
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N(C)C)C1,CHEMBL425743,6.73
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1,CHEMBL372584,6.72
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL198809,6.12
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL372380,7.17
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL197389,6.89
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197013,6.89
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL200713,7.15
+COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200202,6.39
+CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL370830,5.75
+CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200671,7.44
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N(C)C)C1,CHEMBL196808,6.76
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N2CCCCC2)C1,CHEMBL381196,6.24
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2ccccc2)C1,CHEMBL200344,7.04
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL200660,7.66
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL199715,6.92
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc23)C1,CHEMBL197179,6.97
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCO)C1,CHEMBL199002,6.52
+CC(=O)OCCSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL196806,6.9
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL382547,6.57
+COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL370401,6.74
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL198518,7.68
+CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL196857,6.46
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200288,6.81
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N(C)C)C1,CHEMBL424849,8.06
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1,CHEMBL372975,7.38
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL199057,7.64
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL383585,6.73
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200056,6.33
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200252,7.25
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccco3)cc1)N2,CHEMBL200044,9.82
+COC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C,CHEMBL200698,9.46
+COC(=O)C1C(c2ccc(-c3cc(F)cc(F)c3)cc2)CC2CCC1N2C,CHEMBL200748,9.39
+COC(=O)C1C(c2ccc(-c3cccc(F)c3)cc2)CC2CCC1N2C,CHEMBL203299,9.3
+COC(=O)C1C(c2ccc(-c3ccco3)cc2)CC2CCC1N2C,CHEMBL199704,8.95
+COC(=O)C1C2CCC(CC1c1ccc(-c3cncc(OC)c3)cc1)N2,CHEMBL199743,8.81
+COC(=O)C1C(c2ccc(-c3nccs3)cc2)CC2CCC1N2C,CHEMBL382943,8.78
+COC(=O)C1C(c2ccc(-c3cccnc3)cc2)CC2CCC1N2C,CHEMBL199634,8.45
+COC(=O)C1C(c2ccc(-c3cncc(OC)c3)cc2)CC2CCC1N2C,CHEMBL199850,8.41
+COC(=O)C1C2CCC(CC1c1ccc(-c3nccs3)cc1)N2,CHEMBL381418,8.29
+COC(=O)C1C(c2ccc(-c3cnccn3)cc2)CC2CCC1N2C,CHEMBL383572,7.95
+COC(=O)C1C(c2ccc(-c3cnc4ccccc4c3)cc2)CC2CCC1N2C,CHEMBL199512,7.7
+COC(=O)C1C(c2ccc(-c3cncnc3)cc2)CC2CCC1N2C,CHEMBL372121,7.48
+COC(=O)C1C(c2ccc(-c3ccccn3)cc2)CC2CCC1N2C,CHEMBL199407,6.79
+COc1cccc2c1OC(CNCCc1c[nH]c3ccc(F)cc13)CN2,CHEMBL206130,8.5
+CCCN1CC(CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21,CHEMBL382333,7.65
+C1=C(c2c[nH]c3ccccc23)CCN(CC2CNc3ccccc3O2)C1,CHEMBL205031,8.08
+CCN1CC(CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21,CHEMBL203726,7.88
+COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2C,CHEMBL203018,7.9
+COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2,CHEMBL383688,8.16
+c1ccc(CN2CC(CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1,CHEMBL381542,6.96
+c1ccc2c(c1)NCC(CNCCc1c[nH]c3ccccc13)O2,CHEMBL380342,7.05
+CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL203067,7.05
+CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL203282,7.29
+CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc21,CHEMBL382857,7.37
+CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL204331,7.62
+CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc21,CHEMBL382179,7.64
+CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL383446,7.68
+Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1,CHEMBL410273,7.8
+CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL206644,7.82
+CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21,CHEMBL377941,7.91
+COc1ccc2c(c1)OC(CNCCc1c[nH]c3ccc(F)cc13)CN2,CHEMBL425936,7.93
+Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL213627,7.79
+Nc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209843,7.34
+O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL211302,7.7
+O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209651,7.19
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4[nH]ccc4c3)CO2)cc1,CHEMBL209603,7.84
+c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3ccc4[nH]ccc4c3)CO2)cc1,CHEMBL378437,7.93
+Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL211077,7.5
+Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209809,6.73
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2[nH]ccc2c1,CHEMBL209808,7.672999999999999
+O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1,CHEMBL379716,6.65
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1,CHEMBL211994,6.63
+Oc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)C[C@@H]2O)cc1,CHEMBL379706,5.6
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1,CHEMBL377129,6.15
+NC(=O)c1ccc(F)c2c1CC(N(CCCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL213673,7.98
+NC(=O)c1ccc(F)c2c1CC(N(CCCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL385353,8.48
+NC(=O)c1ccc(F)c2c1CC(N(CCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL379298,7.01
+CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL209784,7.91
+CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL213639,7.06
+CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL208605,9.4
+CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL210348,7.22
+NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL208774,8.28
+NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL208773,8.82
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL380095,8.52
+NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL210978,8.38
+NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL209802,8.41
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL427051,8.46
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL214009,8.33
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL427411,8.1
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL213652,8.15
+CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL211215,8.44
+CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL211393,8.47
+CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL386242,7.83
+NC(=O)c1ccc(F)c2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL380401,7.69
+COc1cccc2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL211363,7.385
+COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL386288,7.89
+COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2,CHEMBL211480,8.37
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1,CHEMBL378073,8.05
+CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1,CHEMBL209262,8.66
+COc1cccc2c1CC(N(C)CCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL210656,8.17
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1,CHEMBL215988,6.78
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(/C=C\I)cc1,CHEMBL213921,8.1
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(C=O)cc1,CHEMBL385645,5.76
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccsc2)cc1,CHEMBL213823,7.5
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2cccs2)cc1,CHEMBL214618,7.04
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccco2)cc1,CHEMBL214567,7.73
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL215376,9.34
+CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL2103769,4.33
+CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL213148,5.14
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL122317,5.37
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL377539,5.65
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL125511,6.82
+CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL217815,5.12
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL124219,4.72
+CN1[C@H](/C=C/c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL213613,5.43
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc([N-][N+]#N)c(I)c3)cc1)N2C,CHEMBL273878,6.96
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL218082,8.39
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N)c(I)c3)cc1)N2C,CHEMBL385942,8.05
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N)cc3)cc1)N2C,CHEMBL217627,5.97
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N2C,CHEMBL214230,7.29
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL217022,5.81
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL386064,6.28
+CCCCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217456,5.6
+C=CCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL384104,5.64
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2,CHEMBL214923,5.67
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217160,5.86
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL214574,5.42
+COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL384482,5.97
+COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL413927,6.24
+C=C[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL214234,5.75
+CN1C2CCC1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217295,6.04
+Clc1ccc([C@@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL559186,6.99
+Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12,CHEMBL537429,5.74
+Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL556365,6.92
+c1ccc([C@H]2CCCN3CCCC[C@H]23)cc1,CHEMBL537206,5.29
+O=C1CC[C@H](c2ccccc2)[C@H]2CCCCN12,CHEMBL541898,5.45
+O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL537652,5.69
+O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558182,6.77
+C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541896,6.61
+C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541895,6.37
+CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537874,5.68
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558395,6.54
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537875,5.62
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL534501,6.7
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL553714,5.45
+COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL537654,5.59
+COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL54134,6.18
+OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL537653,6.56
+COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,CHEMBL390742,5.72
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)N3C)cc1,CHEMBL376113,6.72
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1,CHEMBL226984,5.0
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1,CHEMBL229436,5.77
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)N3C)cc1,CHEMBL436132,6.51
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1,CHEMBL229381,5.95
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)N3C)cc1,CHEMBL229699,5.65
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,CHEMBL388832,5.82
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)c(Cl)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388612,6.42
+COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,CHEMBL227233,6.1
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc([N+](=O)[O-])c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388760,6.52
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc([N+](=O)[O-])cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227232,6.01
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc(Br)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227231,6.55
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Br)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL388759,6.08
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL227180,6.04
+CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL390743,6.43
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1,CHEMBL429440,7.68
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1,CHEMBL232218,8.08
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(=O)C(C)C)CC4)ccc32)cc1,CHEMBL232621,7.82
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)=O)CC4)ccc32)cc1,CHEMBL232620,7.82
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1,CHEMBL232010,7.6
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccncc5)CC4)ccc32)cc1,CHEMBL242820,8.28
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5nccs5)CC4)ccc32)cc1,CHEMBL396981,8.57
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccc(C#N)cc5)CC4)ccc32)cc1,CHEMBL395022,8.48
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(c5ccccc5O)CC4)ccc32)cc1,CHEMBL242817,8.24
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C5CC5)CC4)ccc32)cc1,CHEMBL245130,8.0
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCN(C(C)C)CC4)ccc32)cc1,CHEMBL394787,8.89
+CCN1CCN(CCCOc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)CC1,CHEMBL396459,8.82
+COc1ccc(C2CN(C)Cc3cc(OCCCN(C4CC4)C4CC4)ccc32)cc1,CHEMBL232661,8.12
+COc1ccc(C2CN(C)Cc3cc(OCCCNC4CC4)ccc32)cc1,CHEMBL232660,8.52
+CCN(CC)CCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL427845,8.66
+CCNCCCOc1ccc2c(c1)CN(C)CC2c1ccc(OC)cc1,CHEMBL396945,9.14
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)C4)ccc32)cc1,CHEMBL234732,8.1
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CC(F)(F)C4)ccc32)cc1,CHEMBL396703,8.7
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC4)ccc32)cc1,CHEMBL234526,9.0
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCS(=O)(=O)CC4)ccc32)cc1,CHEMBL234525,8.2
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C(F)(F)F)CC4)ccc32)cc1,CHEMBL233681,7.72
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(C#N)CC4)ccc32)cc1,CHEMBL394801,8.28
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(CO)CC4)ccc32)cc1,CHEMBL233471,8.7
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(O)CC4)ccc32)cc1,CHEMBL394800,8.85
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCC(F)(F)C4)ccc32)cc1,CHEMBL233470,8.0
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ccc32)cc1,CHEMBL395096,8.24
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL233054,8.68
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL233053,8.32
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL394861,8.7
+O=[N+]([O-])c1ccc2nc(N3CCNCC3CO)ccc2c1,CHEMBL389365,9.37
+CCCCOCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL388651,7.81
+CCCOCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL241864,8.25
+CCOCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL245090,9.37
+COCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1,CHEMBL241860,9.17
+COc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2,CHEMBL395586,8.04
+CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(ccc3ncccc23)C1,CHEMBL266908,7.92
+Fc1ccc2[nH]cc(CCCCNC3COc4c(ccc5ncccc45)C3)c2c1,CHEMBL233624,8.82
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(ccc3ncccc23)C1,CHEMBL233622,7.91
+Fc1ccc2[nH]cc(CCCNC3COc4c(ccc5ncccc45)C3)c2c1,CHEMBL391531,8.677
+CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1,CHEMBL234875,7.2
+Fc1ccc2[nH]cc(CCNC3COc4ccc5ncccc5c4C3)c2c1,CHEMBL401424,7.52
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1,CHEMBL233591,7.843
+CNCc1cc(C#CCCN2CCCCC2)ccc1Oc1ccc(SC)cc1,CHEMBL393036,9.15
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL236676,8.14
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL236675,8.7
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1,CHEMBL428024,7.96
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)cc1,CHEMBL236475,8.96
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL391947,8.74
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL236047,8.62
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236046,9.05
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237747,8.68
+CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL391074,9.22
+CNCc1cc(C#CCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL441137,9.3
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237319,8.24
+CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL237317,9.05
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(F)cc1Cl,CHEMBL397577,8.47
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(Cl)c1,CHEMBL397575,8.52
+CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1,CHEMBL236674,8.0
+CNCc1cc(C#CCCN2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL398981,9.15
+CNCc1cc(C#CCCN2CCN(C(C)C)C(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL393009,9.0
+CNCc1cc(C#CCCN2CCNC(=O)C2)ccc1Oc1ccc(SC)cc1,CHEMBL237514,9.4
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL237513,8.19
+CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL237512,8.89
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL235814,8.74
+CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(SC)cc1,CHEMBL442080,9.52
+CNCc1cc(C#CCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238182,8.7
+CNCc1cc(CCCCN2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238143,9.22
+CNCc1cc(CCCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL238141,9.4
+CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1,CHEMBL236010,9.05
+CNCc1ccc(C#CCCN2CCOCC2)cc1Oc1ccc(SC)cc1,CHEMBL235794,8.74
+CNCc1cc(Br)ccc1Oc1ccc(SC)cc1,CHEMBL237521,9.3
+CSc1ccc(C2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)n4)ccc32)cc1,CHEMBL236604,7.93
+CSc1ccc(C2CN(C)Cc3cc(Oc4ncc(CN5CCCCC5)s4)ccc32)cc1,CHEMBL238055,8.4
+CSc1ccc(C2CN(C)Cc3cc(Oc4nc(CN5CCOCC5)cs4)ccc32)cc1,CHEMBL399014,7.85
+CSc1ccc(C2CN(C)Cc3cc(Oc4nc(CN5CCCCC5)cs4)ccc32)cc1,CHEMBL238054,8.28
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCC(F)CC5)cn4)ccc32)cc1,CHEMBL238053,7.84
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCOCC5)cn4)ccc32)cc1,CHEMBL237863,7.96
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1,CHEMBL237862,8.35
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)nc4)ccc32)cc1,CHEMBL400831,8.12
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)cc4)ccc32)cc1,CHEMBL237861,8.37
+CSc1ccc(C2CN(C)Cc3cc(Oc4cc(CN5CCCCC5)ccn4)ccc32)cc1,CHEMBL236784,8.06
+CSc1ccc(C2CN(C)Cc3cccc(Oc4cncc(CN5CCCCC5)c4)c32)cc1,CHEMBL400830,6.76
+CSc1ccc(C2CN(C)Cc3cc(Oc4cncc(CN5CCCCC5)c4)ccc32)cc1,CHEMBL236783,8.01
+CSc1ccc(C2CN(C)Cc3cccc(Oc4ccnc(CN5CCCCC5)c4)c32)cc1,CHEMBL236782,6.74
+CSc1ccc(C2CN(C)Cc3cc(Oc4ccnc(CN5CCCCC5)c4)ccc32)cc1,CHEMBL236606,7.59
+CSc1ccc(C2CN(C)Cc3cccc(Oc4cccc(CN5CCCCC5)c4)c32)cc1,CHEMBL236605,6.39
+CSc1ccc(C2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)c4)ccc32)cc1,CHEMBL400629,7.93
+FC(F)(F)c1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL429658,6.31
+COc1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL245637,6.45
+O=[N+]([O-])c1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL247284,6.6
+COc1ccccc1OC(c1ccc(I)s1)C1CNCCO1,CHEMBL245639,6.85
+Ic1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL393236,7.39
+COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL395609,8.3
+COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,CHEMBL247161,8.22
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,CHEMBL246955,8.52
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(OC(F)F)cc2)C1,CHEMBL246954,8.52
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(S(C)(=O)=O)cc2)C1,CHEMBL395608,7.66
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(SC(F)(F)F)cc2)C1,CHEMBL246953,7.44
+Cc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246749,8.36
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C#N)cc2)C1,CHEMBL246748,8.11
+CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL395368,8.547
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(C(F)(F)F)c2)C1,CHEMBL246747,7.52
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(C(F)(F)F)cc2)C1,CHEMBL246542,7.85
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2)C1,CHEMBL397065,7.89
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cc(Cl)ccc2Cl)C1,CHEMBL246541,6.92
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL246540,8.08
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccccc2Cl)C1,CHEMBL246333,7.77
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2cccc(Cl)c2)C1,CHEMBL397300,7.85
+CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2C(c2ccc(Cl)cc2)C1,CHEMBL246332,7.8
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1Cl,CHEMBL246331,8.28
+CCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,CHEMBL246127,8.57
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)c1,CHEMBL397299,8.37
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)c(F)ccc2n1,CHEMBL391033,8.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(C#N)cc2n1,CHEMBL239167,7.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL239166,8.0
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL442087,7.8
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(Cl)c2n1,CHEMBL241500,7.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)ccc(F)c2n1,CHEMBL241499,8.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cccc2n1,CHEMBL241503,7.8
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,7.2
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,7.2
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,7.8
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,8.1
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,7.2
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,7.6
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL241463,8.2
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1,CHEMBL239168,8.1
+COc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247671,7.35
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl,CHEMBL394732,7.7
+COc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1,CHEMBL247670,7.82
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CN(C)C3)CC1,CHEMBL392933,7.64
+CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CNC3)CC1,CHEMBL247669,7.74
+c1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL391605,5.7
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247472,7.54
+COc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1,CHEMBL247470,7.28
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2,CHEMBL247268,6.23
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2,CHEMBL247267,7.72
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CNC2,CHEMBL247266,6.89
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CNC2,CHEMBL247265,7.82
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2F)C1,CHEMBL247063,6.72
+c1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL247062,5.78
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccccc2)C1,CHEMBL247061,6.24
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(F)cc2)C1,CHEMBL241712,6.73
+COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL238052,7.47
+COc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL241706,7.34
+COc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1,CHEMBL241705,7.23
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(F)c2)C1,CHEMBL247094,7.59
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1,CHEMBL392429,6.84
+Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21,CHEMBL247076,6.71
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1,CHEMBL246874,7.66
+Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1,CHEMBL246873,7.52
+CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)c(Cl)c2)C1,CHEMBL247683,7.82
+CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(Cl)c(Cl)c1)CN(C)C2,CHEMBL236252,7.48
+c1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240250,8.7
+CN(C)c1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL238951,8.48
+Oc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc21,CHEMBL238950,7.68
+Oc1cccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL391669,8.89
+Oc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL238751,8.03
+COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc21,CHEMBL238750,7.85
+COc1cccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL238749,8.33
+CSc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240412,8.48
+FC(F)(F)Oc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL392283,7.96
+FC(F)(F)c1cccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL241473,7.66
+FC(F)(F)c1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240214,7.57
+O=[N+]([O-])c1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL392892,8.28
+N#Cc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL391285,7.61
+Fc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL391284,8.43
+Clc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc21,CHEMBL240883,8.06
+Clc1cccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL394209,8.4
+Clc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL391062,8.2
+C#Cc1cccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL240467,8.06
+C#Cc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL430373,8.15
+Cc1ccc(C2CN3CCCC3c3cc(OCCCN4CCCCC4)ccc32)cc1,CHEMBL240466,8.52
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL198298,8.11
+CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1,CHEMBL245307,7.19
+CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1,CHEMBL248377,7.74
+CN(C)CCC(Oc1ccccc1)c1cccc(OCCCN2CCCCC2)c1,CHEMBL248376,7.8
+CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL438490,9.0
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL248375,8.0
+CN(C)CCC(Oc1ccc(C#N)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246126,8.11
+CN(C)CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL246125,8.43
+CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245921,8.64
+CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL391193,8.3
+CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245920,8.057
+CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL245716,8.64
+CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL394322,8.89
+COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1,CHEMBL245715,8.7
+COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245714,8.7
+Cc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL245516,8.82
+CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1,CHEMBL394321,8.89
+CN(C)CCC(Oc1ccccc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245515,8.22
+CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(C#CCCN2CCCCC2)cc1,CHEMBL245514,7.48
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245309,7.2
+CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccc(C(F)(F)F)cc3)cc2)CC1,CHEMBL393071,7.36
+CC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1,CHEMBL245308,7.41
+c1cnn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)c1,CHEMBL392196,8.22
+c1ccn2c([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cnc2c1,CHEMBL245294,7.41
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)[nH]n1,CHEMBL397597,7.61
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)n1,CHEMBL391829,7.27
+c1ncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)s1,CHEMBL247136,8.22
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cs1,CHEMBL439389,8.7
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cs1,CHEMBL394928,9.15
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL246927,8.52
+c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL246716,8.92
+c1cnc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cn1,CHEMBL397643,7.64
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)nc1,CHEMBL247335,8.08
+c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)nc1,CHEMBL247935,8.48
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,CHEMBL439561,8.37
+c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,CHEMBL247933,8.7
+c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)ccn1,CHEMBL393669,7.7
+c1cn(-c2ccc([C@@H]3CN4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)cn1,CHEMBL246913,8.17
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(Cc4ccccc4)C(=O)CO5)CC3)cccc2n1,CHEMBL248231,6.5
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CC(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248230,5.8
+CCCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248229,6.8
+CCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246599,6.8
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL248458,5.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL399719,7.0
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL248457,7.6
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C(C)C)C(=O)CO5)CC3)cccc2n1,CHEMBL248456,7.0
+CCN1C(=O)COc2ccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,CHEMBL246598,6.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL246597,7.4
+CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c21,CHEMBL443060,6.7
+Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4F)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247609,7.1
+Cc1ccc2c(OCCN3CCN(Cc4cc(F)c5c(c4)N(C)C(=O)CO5)CC3)cccc2n1,CHEMBL247428,7.3
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,8.15
+CN(C)Cc1ccccc1Oc1ccc(F)cc1N,CHEMBL394320,7.87
+CN(C)Cc1cc(F)ccc1Oc1ccc(C#N)cc1N,CHEMBL246119,8.54
+CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N,CHEMBL246118,9.46
+Cc1ccc(Sc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL245915,9.57
+CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N,CHEMBL245913,8.69
+CN(C)Cc1cc(F)ccc1Sc1ccc(C#N)cc1N,CHEMBL246120,9.55
+Fc1ccc(C(OCCC2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL255065,6.87
+Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL429492,7.66
+Fc1ccc(C(OCCC2CCN(C[C@@H]3Cc4ccccc4CN3)CC2)c2ccc(F)cc2)cc1,CHEMBL429840,7.32
+Fc1ccc(C(OCCC2CCN(C[C@H]3Cc4ccccc4CN3)CC2)c2ccc(F)cc2)cc1,CHEMBL252759,7.82
+Fc1ccc(C(OCCC2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL136249,6.79
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL137020,6.61
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL136154,7.07
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL538405,7.06
+CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL400707,6.05
+CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL252758,5.68
+C=CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL255055,5.78
+O[C@H]1c2ccccc2CC[C@@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL255054,7.49
+Fc1ccc(C(OCCN2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)c2ccc(F)cc2)cc1,CHEMBL254843,6.22
+Fc1ccc(C(OCCN2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL403575,6.58
+Fc1ccc(C(OCCN2CCN(CCCCl)CC2)c2ccc(F)cc2)cc1,CHEMBL251242,6.47
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,6.47
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,7.26
+CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5,CHEMBL122485,5.82
+CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL124419,6.55
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,7.74
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,7.89
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,5.88
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,6.27
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,8.96
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,8.96
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,8.22
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,8.48
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O,CHEMBL417473,8.37
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@]3(C)O,CHEMBL27309,7.55
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O,CHEMBL285352,7.0
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O,CHEMBL26751,7.85
+CN1CCc2ccc3c4c2[C@@]1(C)Cc1cccc(c1-4)C3,CHEMBL403844,8.15
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL269966,7.8
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL270411,6.99
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL270396,6.73
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL270607,6.95
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,CHEMBL403148,7.74
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256390,8.09
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257743,8.0
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL404247,8.01
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL256044,8.09
+CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402590,7.96
+CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL258153,7.92
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL402644,8.03
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL408206,8.31
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL409877,8.38
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL273157,8.24
+CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270165,8.4
+CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL270625,8.74
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272289,7.85
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL272077,8.85
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL272503,8.72
+CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL267267,9.0
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,CHEMBL257909,8.42
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,CHEMBL257738,8.04
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,CHEMBL257221,8.02
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,CHEMBL257434,8.66
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C#N,CHEMBL257009,6.62
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1F,CHEMBL272698,8.1
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)c(Cl)c1,CHEMBL272917,8.07
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C(F)(F)F,CHEMBL439246,6.05
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(F)cc1,CHEMBL258349,8.17
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,CHEMBL401867,7.41
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1F,CHEMBL402949,6.93
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,CHEMBL401683,7.43
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,CHEMBL272699,8.01
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(OC)c1,CHEMBL273136,8.35
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,CHEMBL403377,7.96
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1,CHEMBL402286,7.96
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1OC(F)(F)F,CHEMBL255127,6.52
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C#N)cc1,CHEMBL404572,7.62
+CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(C#N)c1,CHEMBL257208,7.89
+S=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL272603,5.85
+O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL260682,5.83
+O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL263636,4.93
+O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL265454,5.13
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL408950,5.13
+O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL412263,5.02
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL409881,4.89
+O[C@@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL410244,4.99
+O[C@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL260151,4.95
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258511,5.59
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258725,5.86
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccc(F)cc2)NC1)c1ccc(F)cc1,CHEMBL258724,7.04
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)c1ccc(F)cc1,CHEMBL261736,5.54
+COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL260259,7.23
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1,CHEMBL482266,6.19
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1,CHEMBL518946,7.87
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1,CHEMBL481113,8.96
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481914,7.7
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481754,8.89
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481753,7.41
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1,CHEMBL481747,8.34
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL520753,8.31
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL480932,8.46
+Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL481109,7.14
+Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1,CHEMBL481108,7.86
+FC(F)(F)c1nc2c(N3CCN([C@H]4CC[C@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL520265,7.12
+FC(F)(F)c1nc2c(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL481524,6.98
+Cc1nc2c(N3CCN([C@H]4CC[C@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL519616,6.94
+Cc1nc2c(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1,CHEMBL481523,7.21
+c1cc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)c2nc[nH]c2c1,CHEMBL481337,7.12
+c1cc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)c2nc[nH]c2c1,CHEMBL517996,7.89
+CC(C)n1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL480935,7.41
+CCCn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL521110,7.2
+CCCn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL481940,7.57
+CCn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL481112,7.24
+CCn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL493684,7.87
+Cn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL494688,6.99
+Cn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21,CHEMBL494484,8.48
+N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL494483,8.07
+N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1,CHEMBL494276,8.8
+Fc1ccc2c(c1)[nH]cc2[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1,CHEMBL522671,7.9
+Cn1cc([C@H]2CC[C@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21,CHEMBL493455,7.17
+Cn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21,CHEMBL522529,7.94
+c1cc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL494468,6.81
+c1cc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)c2cc[nH]c2c1,CHEMBL493037,7.42
+Cc1ccc(Sc2ccccc2CN(C)C)c(NC(=O)c2ccc(F)cc2)c1,CHEMBL525371,7.84
+Cc1ccc(Sc2ccccc2CN(C)C)c(NCc2ccc([N+](=O)[O-])cc2)c1,CHEMBL496938,7.22
+Cc1ccc(Sc2ccccc2CN(C)C)c(NCc2ccc(F)cc2)c1,CHEMBL497140,8.0
+CN(C)Cc1ccccc1Sc1ccccc1NC(=O)c1ccc(F)cc1,CHEMBL491027,7.47
+CN(C)Cc1ccccc1Sc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1,CHEMBL491028,9.05
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1NC(=O)c1ccc(F)cc1,CHEMBL490416,8.1
+CN(C)Cc1ccccc1Sc1ccc(I)cc1NC(=O)c1ccc(F)cc1,CHEMBL522444,6.71
+O=C(Cc1ccccc1)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL507255,5.71
+C=CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL489601,6.18
+CCCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL487088,5.77
+CCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL490424,5.98
+CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495726,6.08
+O[C@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495520,6.28
+O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495519,6.11
+O=C(CCCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL444690,5.66
+O=C(CCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL443649,5.89
+O=C(Cc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL505059,5.91
+C=CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL496753,6.5
+CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL502790,6.27
+CCC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL497586,6.56
+CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL498600,6.69
+COc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL490272,6.84
+Cc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL483785,9.52
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL484979,6.55
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL484980,7.42
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL521496,9.15
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL520644,7.24
+COc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccc(OC)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL448284,6.89
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL523625,6.65
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL490472,6.6
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL485695,7.26
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1,CHEMBL519908,7.23
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1,CHEMBL487745,6.89
+CCOc1ccccc1O[C@@H](c1ccc(I)cc1)[C@@H]1CNCCO1,CHEMBL490996,5.55
+CCOc1ccccc1O[C@H](c1ccc(I)cc1)[C@H]1CNCCO1,CHEMBL477406,6.19
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1,CHEMBL484210,7.9
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1,CHEMBL485406,7.76
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1,CHEMBL513966,7.87
+CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1,CHEMBL457750,8.62
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1,CHEMBL457751,7.95
+CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1,CHEMBL516158,7.63
+NC(=O)c1ccc(Cl)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484572,8.565
+NC(=O)c1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484580,8.13
+CNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485433,8.08
+CNC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485434,7.99
+COC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL519684,6.79
+O=C(O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL521303,6.3
+CCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL483594,8.02
+CCCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484947,8.1
+CC(C)NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484948,7.95
+O=C(NC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL485385,8.09
+O=C(NC1CCC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL519679,8.14
+O=C(NC1CCCCC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484540,7.7
+O=C(NCC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL484541,8.16
+CN(C)C(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2,CHEMBL521341,7.54
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(Cl)cc13)C1CCC1)CO2,CHEMBL483573,7.12
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3cc(F)ccc13)C1CCC1)CO2,CHEMBL520661,6.62
+NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2,CHEMBL485624,7.18
+CCCN(CCCCn1ccc2c(F)cccc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL485033,6.68
+CCCN(CCCCn1ccc2cc(F)ccc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL485034,6.94
+CCCN(CCCCn1ccc2ccc(F)cc21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL520994,7.15
+CCCN(CCCCn1ccc2cccc(F)c21)C1COc2c(F)ccc(C(N)=O)c2C1,CHEMBL484355,7.48
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2,CHEMBL485381,6.8
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2,CHEMBL484536,7.11
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3ccc(F)cc31)CC1CC1)CO2,CHEMBL519514,8.0
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cccc(F)c31)CC1CC1)CO2,CHEMBL484537,7.41
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)C1CCC1)CO2,CHEMBL519533,6.54
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)C1CCC1)CO2,CHEMBL485397,6.62
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3ccc(F)cc31)C1CCC1)CO2,CHEMBL485398,6.91
+NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cccc(F)c31)C1CCC1)CO2,CHEMBL519325,7.41
+NC(=O)c1ccc(F)c2c1C[C@@H](NCC1CCc3[nH]c4ccc(F)cc4c3C1)CO2,CHEMBL485407,7.5
+NC(=O)c1ccc(F)c2c1C[C@@H](N(CC1CC1)CC1CCc3[nH]c4ccc(F)cc4c3C1)CO2,CHEMBL456657,6.7
+Cc1ccc2c(N3CCN(CCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485395,7.6
+Cc1ccc2c(N3CCN(CCCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL483365,8.2
+Cc1ccc2c(N3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484205,6.1
+Cc1ccc2c(OC(C)CN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484386,6.6
+Cc1ccc2c(OCCN3CC(COc4ccc5c(c4)NC(=O)CO5)C3)cccc2n1,CHEMBL484387,7.2
+Cc1ccc2c(OC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484742,6.7
+Cc1ccc2c(OCC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL484743,7.5
+Cc1ccc2c(OC3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485427,7.0
+Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL485630,6.1
+CC(=O)N(C)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL506942,6.0
+CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1,CHEMBL495161,5.0
+CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL495160,5.8
+COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494992,6.2
+COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1,CHEMBL494991,6.4
+CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL494806,5.9
+Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1,CHEMBL494631,6.1
+COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O,CHEMBL495217,6.2
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,6.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(=O)(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL495213,6.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL495046,6.0
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,6.0
+CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525362,6.6
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1,CHEMBL496098,6.4
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1,CHEMBL495895,6.7
+CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL497127,6.1
+CC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498356,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL498355,6.3
+CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL498354,6.1
+CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1,CHEMBL525712,6.3
+CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1,CHEMBL336920,8.06
+CNCC[C@@H](c1cccs1)c1cccc2ccccc12,CHEMBL508252,7.92
+CNCC[C@H](c1cccs1)c1cccc2ccccc12,CHEMBL450173,7.52
+CNCCC[C@@H](c1cccs1)c1cccc2ccccc12,CHEMBL459519,8.02
+CNCCC[C@H](c1cccs1)c1cccc2ccccc12,CHEMBL459732,7.4
+CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12,CHEMBL511690,6.78
+CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12,CHEMBL468914,7.5
+CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12,CHEMBL512120,6.57
+CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12,CHEMBL468915,7.14
+CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12,CHEMBL468916,7.07
+CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12,CHEMBL460590,8.28
+CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12,CHEMBL460372,7.3
+CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12,CHEMBL502147,8.39
+CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12,CHEMBL509403,8.44
+CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12,CHEMBL453520,8.77
+CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12,CHEMBL461444,8.57
+CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12,CHEMBL513103,9.09
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(F)ccc4n2)CC1)O3,CHEMBL551909,8.41
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL564148,8.96
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4ccccc4n2)CC1)O3,CHEMBL551304,8.13
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)C[C@H]1C)O3,CHEMBL560170,7.05
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)C[C@H]1C)O3,CHEMBL551107,7.48
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)C[C@@H]1C)O3,CHEMBL565234,7.99
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4ccccc4n2)CC1)O3,CHEMBL550576,7.12
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(OC(F)(F)F)ccc4n2)CC1)O3,CHEMBL551105,6.83
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C(N)=O)ccc4n2)CC1)O3,CHEMBL559778,7.77
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,CHEMBL551964,7.86
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Br)ccc4n2)CC1)O3,CHEMBL550700,7.9
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Cl)ccc4n2)CC1)O3,CHEMBL559579,9.06
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(F)ccc4n2)CC1)O3,CHEMBL550169,7.18
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc([N+](=O)[O-])ccc4n2)CC1)O3,CHEMBL556474,9.6
+Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC=C(c2c[nH]c4ccccc24)CC1)O3,CHEMBL562248,8.63
+C1=C(c2ccccc2)CC2CCC1N2,CHEMBL576092,6.75
+Fc1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL570638,6.89
+Clc1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL576508,8.55
+FC(F)(F)c1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL570871,8.74
+Clc1ccc(C2=CC3CCC(C2)N3)cc1Cl,CHEMBL578130,9.52
+c1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084703,6.61
+Clc1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084695,8.21
+Clc1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084698,10.21
+Clc1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084701,7.19
+Clc1ccc(CO[C@]2(c3ccc(Cl)cc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084696,10.0
+Clc1ccc(CO[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084697,8.07
+FC(F)(F)c1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084699,6.27
+Clc1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084700,7.21
+Clc1ccc(CO[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084702,8.33
+Ic1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL568336,7.29
+Ic1cccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)c1,CHEMBL569927,6.81
+Ic1ccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)cc1,CHEMBL579221,7.46
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(F)cc3)c3n(c2=O)CCCC3)CC1,CHEMBL566595,6.885
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3Cl)c3n(c2=O)CCCC3)CC1,CHEMBL569066,6.105
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(Cl)cc3)c3n(c2=O)CCCC3)CC1,CHEMBL567460,6.34
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c(C)[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL566164,6.71
+COc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c(C)[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL569474,6.015
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCC3)CC1,CHEMBL567676,6.56
+Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3F)c3n(c2=O)CCCC3)CC1,CHEMBL585194,5.96
+O=c1c(-c2ccccc2Cl)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL572015,6.91
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL571820,7.12
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5C)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL572029,6.91
+Cc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL570259,7.035
+O=c1c(-c2ccccc2F)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL585714,7.075
+Cc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL571816,7.245
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL584114,6.65
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL570692,6.73
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccc(OC)cc56)CC4)c2=O)CCCC3)cc1,CHEMBL570848,7.08
+COc1ccc(-c2c3n(c(=O)n(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)c2=O)CCCC3)cc1,CHEMBL571603,7.225
+COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5n(c4=O)CCCC5)CC3)c2c1,CHEMBL583055,6.87
+C1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1,CHEMBL602244,8.88
+CCc1cccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c12,CHEMBL601206,6.81
+Fc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1,CHEMBL599985,8.59
+N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1,CHEMBL603698,7.05
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1,CHEMBL604137,7.85
+Clc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1,CHEMBL602865,7.92
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5cc(Cl)ccc45)CC3)c2c1,CHEMBL605163,6.52
+Fc1ccc2c(C3=CCN(CCc4coc5cc(Cl)ccc45)CC3)c[nH]c2c1,CHEMBL599112,8.45
+Clc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1,CHEMBL604115,7.85
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1,CHEMBL598741,7.82
+Fc1ccc2c(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c[nH]c2c1,CHEMBL598742,8.52
+Fc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1,CHEMBL599310,8.5
+N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1,CHEMBL596816,8.38
+Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1,CHEMBL598866,8.03
+COc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1,CHEMBL598867,7.96
+COc1ccc2occ(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c2c1,CHEMBL599066,7.27
+COc1ccc2occ(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2c1,CHEMBL603475,8.26
+CCc1cccc2c(C3=CCN(CCc4coc5ccc(OC)cc45)CC3)c[nH]c12,CHEMBL597434,7.39
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1,CHEMBL605331,8.47
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc2c1,CHEMBL599691,8.44
+COc1ccc2c(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc2c1,CHEMBL590245,8.92
+COc1ccc2c(CCN3CC=C(c4c[nH]c5ccc(C#N)cc45)CC3)coc2c1,CHEMBL599076,8.47
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12,CHEMBL599077,8.55
+COc1cccc2c(CCN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12,CHEMBL604513,9.12
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12,CHEMBL598469,8.5
+COc1cccc2c(CCN3CC=C(c4c[nH]c5ccc(C#N)cc45)CC3)coc12,CHEMBL596665,8.49
+COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccccc45)CC3)coc12,CHEMBL606384,8.4
+COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12,CHEMBL597279,7.89
+COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12,CHEMBL597479,8.71
+CC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597067,4.5
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL596683,4.43
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605748,4.74
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597299,4.74
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccc3ccccc23)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605420,4.46
+Cc1ccc(S(=O)(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL597085,4.79
+CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597271,4.91
+CN1[C@H](C[C@H](OC(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL606378,5.01
+CC(C)S(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL599268,4.79
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599267,5.3
+CCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597270,5.31
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597298,5.33
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597297,5.36
+CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599693,5.68
+CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL603692,5.29
+CN1[C@H](C[C@H](OS(=O)(=O)Cc2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL604306,5.34
+COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL603904,5.69
+Cc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL599081,5.82
+CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL596682,5.97
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,9.17
+COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL596809,8.75
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173532,8.9
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(Br)ccc21,CHEMBL1215695,8.98
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(Br)cccc21,CHEMBL1215759,8.41
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccccc3)ccc21,CHEMBL1215760,7.4
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(N)c3)ccc21,CHEMBL1215761,7.98
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1215762,8.03
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(C#N)c3)ccc21,CHEMBL1215763,8.17
+COc1cccc(-c2ccc3c(c2)COC3(CCCN(C)C)c2ccc(F)cc2)c1,CHEMBL1214689,8.04
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21,CHEMBL1214690,6.84
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cc(F)cc(F)c3)ccc21,CHEMBL1214691,6.97
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CCc3ccccc3)ccc21,CHEMBL1214692,7.42
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(F)c3)ccc21,CHEMBL1214768,7.66
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(Cl)c3)ccc21,CHEMBL1214769,7.21
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(Cl)cc3)ccc21,CHEMBL1214770,7.47
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3ccccc3)cccc21,CHEMBL1214771,8.29
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(/C=C/c3ccccc3)cccc21,CHEMBL1214842,7.33
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3cccc(F)c3)cccc21,CHEMBL1212960,8.09
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(I)ccc21,CHEMBL1214843,8.85
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL1508,9.05
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(C#N)cc3)ccc21,CHEMBL1214844,7.55
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21,CHEMBL1214907,9.04
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21,CHEMBL1214908,7.63
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1214909,7.97
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1214910,6.95
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1290622,7.67
+CCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CCNCC1,CHEMBL1290741,8.48
+CCOC(=O)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1288490,8.6
+CCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290742,7.85
+CN1CCC(C(=O)OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289072,8.41
+COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCN(C)CC2)cc1,CHEMBL1289073,8.77
+CN1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289190,9.0
+CN1CCC(C(=O)OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289191,8.37
+CN1CCC(C(=O)OCc2ccc(Br)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289302,8.15
+CN1CCC(C(=O)OCc2ccc(I)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289303,7.88
+CN1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289420,7.96
+CN1CCC(C(=O)OCc2ccccc2)(c2ccc(-c3ccccc3)cc2)CC1,CHEMBL1289421,7.31
+O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289533,8.04
+COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1,CHEMBL1289534,7.99
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289642,8.19
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289643,7.52
+O=C(OCc1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289747,7.33
+O=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1,CHEMBL1289748,8.7
+COc1ccc(COC(=O)C2(c3ccc(I)cc3)CCNCC2)cc1,CHEMBL1289854,9.22
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1289855,8.23
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1289972,8.23
+COc1ccc(COC(=O)C2(c3ccc4ccccc4c3)CCNCC2)cc1,CHEMBL1289973,8.54
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290067,8.7
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290068,7.58
+CN1CCC(C(=O)OCc2ccc3ccccc3c2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1290174,8.0
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.4
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,6.3
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,6.3
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,6.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1,CHEMBL1632219,6.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1,CHEMBL1632218,6.3
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1632212,6.2
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1,CHEMBL1632211,6.2
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.1
+CCOC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631538,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)NC(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632222,6.1
+CCCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632221,6.1
+COc1ccccc1C(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632214,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1632213,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccc(F)cc5)c4)CC3)cccc2n1,CHEMBL1631537,5.9
+COc1ccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)cc1,CHEMBL1632216,5.9
+COc1cccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)c1,CHEMBL1632215,5.9
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1,CHEMBL1632208,5.9
+CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632207,5.9
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,5.9
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)(C)C)c4)CC3)cccc2n1,CHEMBL1632209,5.8
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5F)c4)CC3)cccc2n1,CHEMBL1631533,5.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,5.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,5.7
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5cccc(F)c5)c4)CC3)cccc2n1,CHEMBL1631536,5.6
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,5.5
+Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1,CHEMBL1631544,4.7
+O=c1c(-c2ccccc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651733,7.09
+O=c1c(-c2ccc(Cl)cc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651734,7.36
+COc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL1651735,6.87
+O=c1c(-c2ccc(F)cc2)c2n(c(=O)n1CCCCN1CCC(c3c[nH]c4ccccc34)CC1)CCCC2,CHEMBL1651736,7.33
+Cc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c(C)[nH]c5ccccc45)CC3)c1=O)CCCC2,CHEMBL1651737,6.05
+NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672357,4.9
+NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672358,5.66
+NC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672360,4.41
+NC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672361,4.97
+CN(C)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL1672363,4.59
+CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672364,5.22
+CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672365,5.49
+CN(C)C(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL1672367,4.79
+CN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672368,4.65
+CN(C)C(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672369,4.85
+CNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672371,4.48
+O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL1672374,7.0
+CN(C)CCS(=O)C(c1ccccc1)c1ccccc1,CHEMBL1672376,4.34
+CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672377,6.39
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccccc1,CHEMBL1773302,6.03
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccccc1,CHEMBL1773303,6.1
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1,CHEMBL1773304,5.94
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1,CHEMBL1773305,6.08
+COc1cccc([C@@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773306,5.96
+COc1cccc([C@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773307,6.19
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccccn3)CO2)cc1,CHEMBL1773308,6.32
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccnc3)CO2)cc1,CHEMBL1773309,6.82
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1,CHEMBL1773310,6.05
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccc4ccccc34)CO2)cc1,CHEMBL1773311,7.05
+Oc1ccccc1CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1,CHEMBL1773296,6.36
+Oc1cccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773297,7.4
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccs3)CO2)cc1,CHEMBL1773298,6.73
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccco3)CO2)cc1,CHEMBL1773299,6.94
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc[nH]3)CO2)cc1,CHEMBL1773300,6.85
+COc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL1773301,7.89
+C(\COC(c1ccccc1)c1ccccc1)=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccccc1,CHEMBL1927866,5.27
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL1927867,5.65
+CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927869,5.22
+CCCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927871,5.26
+C=CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927873,5.46
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1,CHEMBL1927877,5.37
+Fc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927878,5.39
+Fc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL1927879,5.94
+Clc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927880,6.26
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccc(Cl)cc2)c2ccc(F)cc2)cc1,CHEMBL1927881,6.18
+Cc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927882,6.13
+Cc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL1927883,6.39
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCc2ccccc2C1,CHEMBL2236992,5.4
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL2236991,5.62
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1096620,6.04
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL1098287,6.01
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098286,6.0
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL2236989,6.19
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1098609,6.07
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL1096276,5.96
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1096275,5.96
+Cn1c(=O)c2c(nc3n(CCCN4CCc5ccccc5C4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL2236988,5.61
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL584814,6.72
+COc1ccccc1N1CCN(CCCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565405,4.69
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL566235,6.65
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCc2ccccc2C1,CHEMBL2236987,4.52
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL2236986,7.25
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL567496,7.52
+COc1ccccc1N1CCN(CCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL585503,5.09
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1,CHEMBL585300,4.95
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)ccn23)n(C)c1=O,CHEMBL566890,7.53
+COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565423,6.95
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)ccn23)n(C)c1=O,CHEMBL585105,6.35
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,5.97
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,6.11
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,6.47
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,6.1
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,5.92
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,6.65
+CN1CCc2c(cccc2C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCCCC2)C1,CHEMBL2338351,7.7
+O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1,CHEMBL2338352,5.5
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377574,7.95
+COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377446,5.73
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,6.42
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377444,7.25
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,6.66
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377442,6.67
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377592,6.45
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,6.68
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,6.3
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL2377589,8.24
+COc1ccc2[nH]cc(C3=CCN(CCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377588,6.11
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377587,7.16
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377586,6.17
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377585,7.01
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377584,7.47
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377575,7.13
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377576,6.68
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377577,7.7
+COc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377578,7.34
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL2377579,8.4
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL2377580,7.29
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL2377581,6.74
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377582,8.28
+COc1ccc2[nH]cc(C3=CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377583,6.9
+CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN,CHEMBL252923,7.57
+COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1,CHEMBL2386162,9.8
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402556,8.89
+CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402555,8.32
+CN1CC(OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402554,7.64
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)cc2)C1,CHEMBL2402553,8.52
+CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1,CHEMBL2402552,8.11
+CN1CC(OCc2ccccc2)(c2ccc(Cl)cc2)C1,CHEMBL2402551,7.41
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1,CHEMBL2402550,9.0
+CN1CC(OCc2ccc(Cl)cc2)(c2ccccc2)C1,CHEMBL2402549,8.4
+CN1CC(OCc2ccccc2)(c2ccccc2)C1,CHEMBL2402548,7.14
+Clc1ccc(COC2(c3ccc(Cl)c(Cl)c3)CNC2)cc1Cl,CHEMBL2402547,8.38
+Clc1ccc(COC2(c3ccc(Cl)c(Cl)c3)CNC2)cc1,CHEMBL2402546,8.54
+Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl,CHEMBL2402545,6.68
+Clc1ccc(C2(OCc3ccc(Cl)c(Cl)c3)CNC2)cc1,CHEMBL2402544,8.09
+Clc1ccc(COC2(c3ccc(Cl)cc3)CNC2)cc1,CHEMBL2402543,8.46
+Clc1ccc(C2(OCc3ccccc3)CNC2)cc1,CHEMBL2402560,6.08
+Clc1ccc(COC2(c3ccccc3)CNC2)cc1Cl,CHEMBL2402559,8.14
+Clc1ccc(COC2(c3ccccc3)CNC2)cc1,CHEMBL2402558,5.59
+c1ccc(COC2(c3ccccc3)CNC2)cc1,CHEMBL2402557,5.91
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)C1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL3094163,7.33
+CN(CCN)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL3094162,6.94
+COc1ccc2[nH]cc(CN(C)CCCC3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)c2c1,CHEMBL3094161,7.31
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1c[nH]c2ccccc12,CHEMBL3094160,7.27
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN(C)CCCC3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)ccc21,CHEMBL3094159,7.52
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1ccc2c(c1)Cc1ccccc1-2,CHEMBL3094158,7.72
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1ccc2ccccc2c1,CHEMBL3094157,7.01
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1ccnc2ccccc12,CHEMBL3094156,6.39
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1ccncc1,CHEMBL3094181,6.82
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1ccc(N(C)C)cc1,CHEMBL3094180,7.01
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1csc2ccccc12,CHEMBL3094179,7.64
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)Cc1coc2ccccc12,CHEMBL3094178,7.24
+CN(CCCCc1ccccc1)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL3094177,7.6
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)CCc1ccccc1,CHEMBL3094176,7.39
+CCCCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL3094175,7.21
+CCCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL3094174,6.93
+CN(CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)CC1CC1,CHEMBL3094173,7.03
+CN(C)CCCC1(c2ccc(F)cc2)COc2ccc(Br)cc21,CHEMBL3094172,6.17
+CN(C)CCCC1(c2ccc(-c3cccc(N)c3)cc2)OCc2cc(C#N)ccc21,CHEMBL3094171,6.9
+CN(C)CCCC1(c2ccc(-c3cccc(C#N)c3)cc2)OCc2cc(C#N)ccc21,CHEMBL3094170,7.29
+CN(C)CCCC1(c2ccc(/C=C/c3ccccc3)cc2)OCc2cc(C#N)ccc21,CHEMBL3094169,7.42
+CN(C)CCCC1(c2ccc(Br)cc2)OCc2cc(C#N)ccc21,CHEMBL3094168,7.94
+CN(C)CCCC(O)(c1ccc(Br)cc1)c1ccc(C#N)cc1CO,CHEMBL3094167,7.29
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(I)cccc21,CHEMBL3094166,8.15
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(/C=C/Cc3ccccc3)ccc21,CHEMBL3094165,7.68
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc(N)cc3)ccc21,CHEMBL3094164,7.53
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc21,CHEMBL3094197,7.73
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN(C)C)ccc21,CHEMBL3094196,7.49
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4c(c3)COC4(CCCN(C)C)c3ccc(F)cc3)ccc21,CHEMBL3094195,7.71
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4c(c3)Cc3ccccc3-4)ccc21,CHEMBL3094194,7.63
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4ccccc4c3)ccc21,CHEMBL3094193,8.08
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CNCc3csc4ccccc34)ccc21,CHEMBL3094192,7.95
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CNCc3coc4ccccc34)ccc21,CHEMBL3094191,7.96
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21,CHEMBL3094190,7.64
+COc1ccccc1N1CCN(Cc2ccc3c(c2)COC3(CCCN(C)C)c2ccc(F)cc2)CC1,CHEMBL3094189,8.1
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN3CCN(c4ccccc4)CC3)ccc21,CHEMBL3094188,8.49
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN3CCOCC3)ccc21,CHEMBL3094187,7.87
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN3CCCCC3)ccc21,CHEMBL3094186,7.72
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(CN)ccc21,CHEMBL3094185,7.38
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C=O)ccc21,CHEMBL3094184,8.37
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21,CHEMBL3094183,7.75
+COC(=O)c1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1,CHEMBL3094182,8.38
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,5.96
+Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL325262,6.31
+Clc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL3093270,6.39
+Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL3093269,6.43
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,6.1
+Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1,CHEMBL3099495,7.16
+Fc1ccc(C(c2ccc(F)cc2)[C@@H]2CC[C@H](NCc3ccc4c(c3)CCO4)CO2)cc1,CHEMBL3099494,8.52
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1,CHEMBL3099493,7.23
+c1ccc(CCN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099492,6.07
+Oc1ccc(CN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099491,6.39
+c1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099490,5.69
+Fc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099489,5.87
+COc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099488,6.45
+Oc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099487,6.82
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099486,5.94
+Oc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)OC2)cc1,CHEMBL3099485,5.6
+Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL3099502,6.33
+Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL3099501,6.46
+O=S(CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126719,6.25
+O=S(CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126718,6.26
+O=S(CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126717,5.89
+CCCCNCCS(=O)C(c1ccccc1)c1ccccc1,CHEMBL3126716,4.2
+NCCS(=O)C(c1ccccc1)c1ccccc1,CHEMBL3126737,5.47
+Brc1ccc(C(SCCNCCCc2ccccc2)c2ccc(Br)cc2)cc1,CHEMBL3126736,6.79
+Fc1ccc(C(SCCNCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3126735,6.45
+c1ccc(CCCNCCSC(c2ccccc2)c2ccccc2)cc1,CHEMBL3126734,6.03
+CCCCNCCSC(c1ccccc1)c1ccccc1,CHEMBL3126733,5.24
+c1ccc(C(SCCNCC2CC2)c2ccccc2)cc1,CHEMBL3126732,5.0
+NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126731,7.58
+NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126730,7.53
+NCCSC(c1ccccc1)c1ccccc1,CHEMBL1516187,6.66
+O=C(CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1)NCCCc1ccccc1,CHEMBL3126729,6.05
+O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCCCc1ccccc1,CHEMBL3126720,4.22
+O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCCCc1ccccc1,CHEMBL3126746,5.46
+CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126744,5.15
+CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126743,4.59
+O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCC1CC1,CHEMBL3126741,5.15
+O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCC1CC1,CHEMBL3126740,4.47
+O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1,CHEMBL3126739,4.69
+CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126738,5.05
+CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126756,5.0
+CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126755,4.35
+CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126752,5.24
+CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126751,4.97
+NC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126748,4.84
+CNC(C)Cc1ccc2c(c1)OCO2,CHEMBL3189075,6.68
+CNC(Cc1ccc2c(c1)OCO2)c1ccccc1,CHEMBL3220673,5.88
+CN[C@H](C)Cc1ccc2c(c1)OCO2,CHEMBL382757,4.61
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1)c1ccccc1,CHEMBL3261686,8.05
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccn(C)c3c2)cc1)c1ccccc1,CHEMBL3261687,7.71
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1,CHEMBL3261688,7.21
+CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc21,CHEMBL3261690,7.42
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3nccn3c2)cc1)c1ccccc1,CHEMBL3261691,8.4
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261692,6.87
+Cc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261693,7.21
+Cc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1I,CHEMBL3261694,6.92
+COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261695,7.39
+COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F,CHEMBL3261696,7.02
+COc1cc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)ccc1Cl,CHEMBL3261698,7.51
+CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3c(ccn3C)c2)c1)c1ccccc1,CHEMBL3261699,8.03
+CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3ccccc3c2)c1)c1ccccc1,CHEMBL3261700,7.55
+CN(C)CCC(Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261701,7.19
+CN(C)CCC(Oc1ccc(NC(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261702,7.05
+CN(C)CCC(Oc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1)c1ccccc1,CHEMBL3261703,6.99
+Cc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261706,7.46
+COc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261707,7.8
+COc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F,CHEMBL3261708,7.65
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397069,7.81
+Cc1ccc(-c2c(=O)n(CCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397070,7.56
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397071,7.59
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397073,7.59
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397074,7.05
+COc1ccccc1-c1c(=O)n(CCCCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397075,7.68
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397076,7.57
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397077,7.52
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397078,7.81
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397079,7.24
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397080,7.95
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397081,8.41
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL3397082,8.28
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397083,7.23
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397046,7.68
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397084,6.49
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397085,6.39
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397086,6.51
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397087,6.48
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397088,6.36
+O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1,CHEMBL3397089,6.11
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397090,6.13
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397091,6.14
+O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397092,6.08
+Cc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397093,6.02
+COc1ccc(-c2c(=O)n(CCCCN3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1,CHEMBL3397094,6.49
+O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397095,6.0
+O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397096,6.39
+O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1,CHEMBL3397097,6.08
+Cc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397098,6.06
+COc1ccccc1-c1c(=O)n(CCCCN2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12,CHEMBL3397099,5.92
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4occc4c3)CO2)cc1,CHEMBL3397792,9.15
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397793,8.57
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)ccc1O,CHEMBL3397794,6.65
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1O,CHEMBL3397795,6.55
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397796,6.41
+Oc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397797,5.52
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397798,7.57
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cn1,CHEMBL3397799,7.37
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1F,CHEMBL3397800,8.04
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c(F)c1,CHEMBL3397801,7.19
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397802,7.16
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)ccc1O,CHEMBL3397803,6.97
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)CCO2,CHEMBL3397804,7.27
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397805,6.24
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)OCO2,CHEMBL3397806,6.4
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397807,6.89
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cn1,CHEMBL3397808,6.59
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1F,CHEMBL3397809,6.48
+Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1,CHEMBL3397810,6.48
+CC(C)(C)N1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3698963,6.1
+CN1CC2CC2(c2ccc(Cl)cc2Cl)C1,CHEMBL3698968,6.3
+Cc1cc(C23CC2CN(C)C3)ccc1F,CHEMBL3698969,6.27
+CCCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695485,5.62
+CCCCN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695486,5.21
+CC(C)N1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695491,6.48
+Clc1ccc(C23CC2CN(C2CC2)C3)cc1Cl,CHEMBL3698962,5.43
+CC(C)N1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3698961,6.88
+CN1CC2CC2(c2ccc(F)c(Cl)c2)C1,CHEMBL3698967,6.72
+CN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695479,7.8
+CN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695480,6.9
+CC(C)N1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695490,6.91
+CN1CC2CC2(c2ccc3ccccc3c2)C1,CHEMBL3698973,8.22
+CCCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695487,5.12
+CCCN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695483,5.78
+Cc1ccc(C23CC2CN(C)C3)cc1F,CHEMBL3698970,6.08
+CCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695484,5.7
+CCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695482,6.95
+CCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695481,7.06
+CCCCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695488,5.05
+CN1CC2CC2(c2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])C1,CHEMBL3698972,5.37
+Fc1ccc(C23CNCC2C3)cc1Cl,CHEMBL3698966,6.64
+CN1CC2CC2(c2ccc([N+](=O)[O-])c(Cl)c2)C1,CHEMBL3698971,6.15
+CC(C)CN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695489,4.8
+CN1CC2CC2(c2ccc(F)c(F)c2)C1,CHEMBL3698965,5.8
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,5.75
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3753283,6.96
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3752059,7.43
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(N2CCN(c3cccc(Cl)c3)CC2)c1,CHEMBL3754784,6.29
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3753681,7.53
+Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc2)cc1Cl,CHEMBL3753329,6.68
+COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc2)cc1Cl,CHEMBL3754137,7.03
+CCn1ccc2cc(NC(=O)Nc3ccc(S(=O)(=O)N(CCN(C)C)Cc4ccccc4)cc3)ccc21,CHEMBL3753516,7.18
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1,CHEMBL3752844,7.58
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,7.69
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OC(CCN(C)C)c3ccccc3)cc1)CC2,CHEMBL3752465,7.18
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL333465,5.44
+COc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1,CHEMBL2381721,5.03
+CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2)cc1,CHEMBL3793895,5.67
+CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2C)cc1,CHEMBL3793722,4.94
+CN1[C@H](CCc2ccc(O)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793401,4.92
+Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(O)cc3)N2)cc1,CHEMBL3793321,5.99
+OC[C@H](O)CN1[C@H](CCc2ccc(O)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793365,4.89
+Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1,CHEMBL3793860,5.98
+FCCOc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OCCF)cc3)N2)cc1,CHEMBL3793720,6.19
+CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3792786,4.98
+CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(OCCF)cc1,CHEMBL3792927,5.13
+OC[C@H](O)CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793787,5.84
+OC[C@H](O)CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(OCCF)cc1,CHEMBL3793460,4.48
diff --git a/chembl_200/CHEMBL3138.csv b/chembl_200/CHEMBL3138.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9a135ab3077fbabcf98bf16b44050543ae63ad6e
--- /dev/null
+++ b/chembl_200/CHEMBL3138.csv
@@ -0,0 +1,617 @@
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,CHEMBL25856,6.77
+CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21,CHEMBL240773,8.25
+CCCN1CCC[C@@H](c2cccc(OC)c2)C1,CHEMBL93582,5.88
+CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1,CHEMBL110239,8.865
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,7.885
+COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL50465,9.0
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54026,8.24
+COc1c(C(=O)NC2CCN(C3CCCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL53078,7.24
+COc1c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54865,9.1
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL52835,6.48
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL52300,8.62
+COc1c(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54667,9.7
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL298864,7.39
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL54571,7.28
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL298759,8.72
+COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL53778,8.6
+COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL51959,8.96
+COc1c(C(=O)NC2CCN(C3C4CCCC3CCC4)CC2)cc(Br)c2ccccc12,CHEMBL53401,5.84
+COc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53650,7.84
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL53218,7.17
+COc1c(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL52588,10.4
+COc1c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL416846,7.92
+COc1c(C(=O)NC2CCN(C3CCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL51856,6.37
+COc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53102,8.85
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL298875,8.8
+COc1c(C(=O)N[C@@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL301302,7.88
+COc1c(C(=O)NC2CCN(C3CCCC3)CC2)cc(Br)c2ccccc12,CHEMBL54092,6.05
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CCCC2CCC3)cc(Br)c2ccccc12,CHEMBL54662,8.12
+COc1c(C(=O)NC[C@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL50517,7.05
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCC2)cc(Br)c2ccccc12,CHEMBL423122,7.32
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL301732,7.3
+COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC,CHEMBL54866,10.4
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(Br)c2ccccc12,CHEMBL50352,7.04
+COc1c(C(=O)N[C@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL52298,9.4
+COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL54027,7.12
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL416481,7.52
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL53038,8.49
+COc1c(C(=O)NC[C@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL301929,8.59
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL53320,8.54
+COc1c(C(=O)N[C@@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL51754,7.89
+COc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1,CHEMBL64751,6.51
+COc1c(C(=O)NCCN2CCc3ccccc3C2)cc(Br)c2ccccc12,CHEMBL60133,7.09
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL60048,6.5
+COc1cc2c(cc1OC)CN(Cc1ccc(-c3cc(Br)cc(OC)c3OC)[nH]1)CC2,CHEMBL60213,8.41
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60139,6.97
+COc1cc(Br)cc(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1OC,CHEMBL303796,8.42
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL62638,9.4
+COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL287198,8.1
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL291439,6.2
+COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC,CHEMBL305366,7.75
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60140,6.9
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL300780,8.923
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,8.69
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL64176,7.67
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,5.42
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL305362,8.995
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL301242,8.825
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL61789,8.145
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1OC)CC2,CHEMBL64261,6.31
+COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1,CHEMBL420510,9.06
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2Cc3ccccc3CN2)CC1,CHEMBL124744,8.04
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1,CHEMBL340641,9.18
+COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL340126,8.37
+N#Cc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)cc1,CHEMBL124713,7.38
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,8.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,8.54
+COc1ccccc1N1CCN(CCCCNC(=O)c2nc3ccccc3n3cccc23)CC1,CHEMBL126590,7.55
+COc1ccccc1N1CCN(CCNCc2coc(-c3ccc4ccccc4c3)n2)CC1,CHEMBL123952,6.53
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1,CHEMBL127344,7.96
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL339960,9.74
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1,CHEMBL126889,9.42
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL127400,9.31
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL127317,8.32
+COc1ccccc1N1CCN(CCNCc2coc(-c3cc4ccccc4o3)n2)CC1,CHEMBL341117,6.12
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1,CHEMBL435218,9.39
+COc1ccccc1N1CCN(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1,CHEMBL2112643,7.13
+O=C(NCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2ccccc2o1,CHEMBL125193,8.11
+COc1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1,CHEMBL82591,6.66
+NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1,CHEMBL69759,5.24
+COc1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1,CHEMBL309730,5.89
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,5.92
+NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1,CHEMBL81649,5.54
+Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL81330,6.62
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,6.44
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,7.26
+FC(F)(F)c1cccc(C2CCNC2)c1,CHEMBL3706603,6.2
+CCCN1CCC(c2cccc(C(F)(F)F)c2)C1,CHEMBL310607,7.46
+CCCN1CCC(c2cccc(O)c2)C1,CHEMBL81675,7.28
+CCCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL79812,7.21
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,6.561
+COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL91693,6.7
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CCCC2CCC3)C1,CHEMBL94050,8.66
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1,CHEMBL96369,8.36
+COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL330318,8.29
+C=CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL92192,8.33
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL315446,7.44
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCNC1,CHEMBL96792,5.52
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CC4CC(C3)CC2C4)C1,CHEMBL92924,8.77
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1,CHEMBL91859,7.48
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL92030,7.26
+COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL93021,7.82
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL328866,7.68
+CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl,CHEMBL20734,9.8
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL316317,7.0
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL319079,7.22
+COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL95096,6.7
+CNc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl,CHEMBL319597,9.62
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL327984,8.72
+CCC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL93198,8.23
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCCC2)C1,CHEMBL92199,8.82
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1,CHEMBL96703,8.43
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL329106,9.24
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL94200,6.82
+COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL357448,6.91
+COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc34)CC2)c1,CHEMBL152587,8.02
+COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152159,8.77
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL152756,9.27
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,CHEMBL152304,9.14
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152391,9.57
+COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1,CHEMBL345848,7.15
+COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL92713,6.23
+COc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL347290,8.52
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,CHEMBL2112911,9.21
+COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL315879,9.39
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL94265,7.44
+COc1cccc(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL152869,8.28
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1,CHEMBL157388,6.33
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]nc2ccccc12,CHEMBL152010,9.74
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)c1,CHEMBL157322,6.84
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,CHEMBL154508,9.24
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1,CHEMBL157222,6.17
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,9.22
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL286725,6.84
+COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1,CHEMBL433741,9.77
+COc1cccc(C(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL423040,7.33
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12,CHEMBL152262,9.03
+COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL152576,8.64
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,9.89
+COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,CHEMBL156599,7.51
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL346692,9.21
+CCCN(CCC)C1Cc2cccc(O)c2C1,CHEMBL85362,7.38
+CCCN(CCC)C1Cc2cccc(OC)c2C1,CHEMBL421936,7.35
+CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142056,7.54
+CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142835,7.52
+CCCN(CCc1ccc(OC)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142154,7.41
+CCCN(CC)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142684,7.19
+CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL16410,7.51
+CCCCN(CCCC)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142686,6.74
+CCCN(CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL342973,7.11
+CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142535,7.66
+CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142481,7.85
+CCCN(CCc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL141614,6.87
+CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142163,7.35
+CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL440819,7.49
+CCCN(CCc1cccnc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL143509,6.87
+CCCN(CCC)C1Cc2ccc(OC)cc2C1,CHEMBL356823,7.08
+CCCN(CCc1ccc(C(F)(F)F)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL344524,7.47
+CCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142976,6.43
+CCCN(CCc1ccc(C(N)=O)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142956,7.38
+CCCN(CCC)C1Cc2ccc(O)cc2C1,CHEMBL16409,7.85
+CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142197,7.64
+CCCN(CCCF)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL423371,6.47
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71783,6.4
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL307800,7.95
+O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL68720,8.7
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL305019,8.19
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL71416,5.97
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1,CHEMBL302374,8.85
+O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,CHEMBL302796,7.07
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL67750,6.7
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304766,8.22
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL71364,6.67
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL305294,8.35
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL69718,6.86
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,8.23
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71327,8.89
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL69571,7.72
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL309118,7.37
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL68860,7.47
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL69717,8.32
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,8.59
+Nc1ccc2c(c1)-c1c(cccc1C(=O)NCCCCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,CHEMBL71502,8.46
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,CHEMBL262724,8.72
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,9.22
+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL306672,8.25
+CN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL120512,8.392999999999999
+CN1CCN(C2Cn3cccc3Sc3ccccc32)CC1,CHEMBL333246,7.073
+CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1,CHEMBL303021,7.82
+CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL70589,7.37
+CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL65196,7.43
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1,CHEMBL302994,6.97
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL71395,6.49
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL308347,7.35
+CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1,CHEMBL306869,7.26
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302172,7.52
+CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1,CHEMBL69562,7.17
+CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL302171,7.66
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1,CHEMBL71804,6.41
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1,CHEMBL71474,7.2
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1,CHEMBL70985,6.27
+CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL71091,7.64
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL304573,8.39
+CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304426,7.15
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1,CHEMBL302263,6.17
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL70652,7.11
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL307786,6.12
+CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1,CHEMBL70882,7.28
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,6.563
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71625,7.29
+CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL305743,8.8
+CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1,CHEMBL71299,5.99
+CCCN(CCC)C1CCc2c(ccc(F)c2N)C1,CHEMBL71676,7.11
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL70710,7.85
+CCCc1c[nH]c2c(F)cc3c(c12)CC(N(CCC)CCC)CC3,CHEMBL71663,6.95
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL71176,7.26
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL119687,8.44
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL2111781,8.73
+CN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL332600,7.66
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,8.62
+CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL368324,6.96
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,9.393
+CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118889,8.35
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL116542,8.0
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,7.68
+CCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL333955,8.13
+CN1CCCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118092,7.24
+CN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL121274,8.44
+CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL333455,7.74
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.345
+OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL118919,7.885
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,6.18
+CCCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28833,6.04
+CSc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28651,7.34
+CCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL282829,5.77
+Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL176169,7.74
+CN1CCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL426763,8.7
+O=C1NCCN1CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL367087,7.18
+CN1CCN(C2=Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL366679,8.57
+CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL367875,6.56
+CN1CCN(C2=Cn3c(/C=N/O)ccc3Sc3ccccc32)CC1,CHEMBL177328,5.37
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,8.08
+CN1CCN(C2=Cn3c(C=O)ccc3Sc3ccccc32)CC1,CHEMBL362060,6.99
+COCc1ccc2n1CC(N1CCN(C)CC1)c1cc(Cl)ccc1S2,CHEMBL175226,6.5
+CN1CCN(C2=Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL369367,9.6
+CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1,CHEMBL367180,6.95
+CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL177455,8.37
+CCCN(C/C=C/I)C1CCc2cccc(O)c2C1,CHEMBL284716,6.9
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL62,6.11
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,5.82
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,CHEMBL8514,8.41
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,6.97
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,CHEMBL8809,8.03
+NCCc1c[nH]c2ccc(O)cc12,CHEMBL39,5.63
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,5.61
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,8.74
+CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1,CHEMBL71899,6.87
+CCCNC1CCc2cc(F)ccc2C1,CHEMBL302373,6.81
+CCCN(CCC)C1CCc2cc(F)c3c(c(C=O)cn3C)c2C1,CHEMBL71319,6.24
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL441256,7.19
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304767,7.09
+CCCNC1CCc2ccc3[nH]ccc3c2C1,CHEMBL305976,6.94
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69943,7.54
+C=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304984,6.89
+CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71640,6.79
+CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69729,7.3
+c1ccc(CCCNCC2CCc3ccc4[nH]ccc4c3C2)cc1,CHEMBL70980,6.7
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL420191,6.94
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1744041,7.74
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788198,6.81
+CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71469,6.59
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL2112317,5.9
+CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70680,7.38
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL72062,7.32
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL306197,8.0
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL423127,6.35
+CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL303339,6.57
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL70606,7.37
+CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788197,7.72
+C=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL309121,7.11
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL72285,7.74
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744039,7.0
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL305837,7.08
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL303921,6.8
+CN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL413105,6.42
+CCCN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71409,6.95
+CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744040,6.58
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL420748,7.7
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71145,8.26
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71865,8.31
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL13647,8.51
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1,CHEMBL299691,8.28
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1,CHEMBL57546,7.04
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,CHEMBL192099,6.8
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,8.09
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1,CHEMBL193620,7.64
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.92
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL85606,8.085
+O=C(CCCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL341774,6.52
+O=C(NCCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc2ccccc2c1,CHEMBL191815,7.72
+O=C(NCCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc2ccccc2c1,CHEMBL427173,7.8
+COc1cccc2c1CC[C@@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL434532,8.08
+COc1cccc2c1CC[C@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL371200,8.03
+COc1ccc2c(c1)CC[C@@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL192138,7.17
+COc1ccc2c(c1)CC[C@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL193040,6.9
+COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2,CHEMBL363406,7.36
+COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2,CHEMBL192439,7.02
+COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2,CHEMBL192650,8.39
+COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2,CHEMBL426629,8.48
+COc1ccc2c(c1)CC[C@@H]1CN(CC[C@H]3CC[C@H](NC(=O)c4ccc5ccccc5c4)CC3)CCN21,CHEMBL524005,8.24
+COc1ccc2c(c1)CC[C@H]1CN(CCC3CCC(NC(=O)c4ccc5ccccc5c4)CC3)CCN21,CHEMBL191894,8.0
+COc1ccc2c(c1)CC[C@@H]1CN(CCN3CCC(NC(=O)c4ccc5ccccc5c4)CC3)CCN21,CHEMBL190821,5.33
+COc1ccc2c(c1)CC[C@H]1CN(CCN3CCC(NC(=O)c4ccc5ccccc5c4)CC3)CCN21,CHEMBL193300,5.15
+O=C(CN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL413554,5.13
+O=C(CCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL345106,5.56
+O=C(CCCCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1,CHEMBL179376,6.42
+O=C(NCCN1CCN2c3ccccc3CCC2C1)c1ccc(-c2ccccc2)cc1,CHEMBL368686,4.64
+O=C(NCCCN1CCN2c3ccccc3CCC2C1)c1ccc(-c2ccccc2)cc1,CHEMBL181203,5.6
+O=C(NCCCCN1CCN2c3ccccc3CCC2C1)c1ccc(-c2ccccc2)cc1,CHEMBL426425,7.66
+O=C(NCCN1CCN2c3ccccc3CCC2C1)c1ccc2ccccc2c1,CHEMBL179805,5.78
+O=C(NCCCN1CCN2c3ccccc3CCC2C1)c1ccc2ccccc2c1,CHEMBL180107,5.81
+COc1cccc2c1CCC1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL359654,8.24
+COc1ccc2c(c1)CCC1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21,CHEMBL361756,6.61
+COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC1CC2,CHEMBL179781,7.35
+COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC1CC2,CHEMBL362665,8.59
+c1ccc(CCN2CCC3=C(CCc4ccccc43)C2)cc1,CHEMBL186350,7.08
+c1ccc(CCCN2CCC3=C(CCc4ccccc43)C2)cc1,CHEMBL185743,6.99
+c1ccc(CCCCN2CCC3=C(CCc4ccccc43)C2)cc1,CHEMBL187190,7.13
+CCN1CCC2=C(CCc3ccccc32)C1,CHEMBL361299,6.74
+CCCN1CCC2=C(CCc3ccccc32)C1,CHEMBL185841,7.2
+CCCCN1CCC2=C(CCc3ccccc32)C1,CHEMBL188713,7.6
+CCCCCN1CCC2=C(CCc3ccccc32)C1,CHEMBL186035,7.42
+O=C(NCCCCN1CCC2=C(CCc3ccccc32)C1)c1ccc2ccccc2c1,CHEMBL188584,8.21
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4ccc5ccccc5c4)CC3)CCN21,CHEMBL201339,8.29
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4cccc5cccnc45)CC3)CCN21,CHEMBL264520,7.06
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4ccc5ncccc5c4)CC3)CCN21,CHEMBL201110,8.01
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4cnc5ccccc5n4)CC3)CCN21,CHEMBL199415,6.82
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4ccnc5ccccc45)CC3)CCN21,CHEMBL199770,7.8
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4ccc5ccccc5n4)CC3)CCN21,CHEMBL200183,6.74
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4cnc5ccccc5c4)CC3)CCN21,CHEMBL373052,7.29
+COc1ccc2c(c1)CCC1CN(CC[C@H]3CC[C@H](NC(=O)c4cc5ccccc5cn4)CC3)CCN21,CHEMBL201702,7.32
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222301,5.31
+CN1CCc2cc(-c3cccc4c3oc3ccccc34)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL465696,7.65
+CN(C)c1ccc(-c2cc3c4c(c2)-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1,CHEMBL3216443,7.11
+Cc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL507567,7.4
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL458579,8.75
+CN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL458397,8.11
+CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1616,7.44
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL467540,9.04
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cn[nH]c2C1,CHEMBL467768,6.73
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nn[se]c2C1,CHEMBL467767,7.39
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nnsc2C1,CHEMBL466561,6.8
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nocc2C1,CHEMBL469182,6.6
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2oncc2C1,CHEMBL469181,6.81
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2[nH]ncc2C1,CHEMBL468834,7.33
+C#CCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2nc(N)sc2C1,CHEMBL468833,8.15
+C#CCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1,CHEMBL513352,7.46
+CCCN(CCCCN1CCN(c2ccccc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL468022,7.91
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156639,8.81
+CCCN[C@H]1CCc2nc(N)sc2C1,CHEMBL301265,9.19
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL492883,9.195
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cc3ccccc3o2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494511,9.29
+Nc1nc2c(s1)C[C@@H](NCC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL494510,8.12
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+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL571992,8.65
+CCCN(CCN1CCN(c2ccccn2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254689,8.71
+CCCN(CCN1CCN(c2ncccn2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254772,8.16
+CCCN(CCN1CCN(c2cccnc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254773,8.54
+CCCN(CCN1CCN(c2ccncc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254861,7.85
+CCCN(CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254862,8.52
+CCCN(CCN1CCN(c2ccc(I)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254946,8.12
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2c(O)cccc2C1,CHEMBL1254947,8.63
+CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2c(O)cccc2C1,CHEMBL1255028,8.82
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1253770,8.415
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.47
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+CCCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672309,7.0
+CCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672310,6.39
+CCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672311,6.62
+CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1672312,6.26
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL2024521,7.8
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1,CHEMBL2024522,8.8
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1,CHEMBL2024523,8.31
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL2024524,7.88
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL2024525,8.27
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(Cl)ccc3Cl)CC2)CC1,CHEMBL2024675,9.18
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2024676,8.48
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1,CHEMBL2024677,9.36
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148204,9.0
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2cccc(F)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148205,8.0
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2F)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148206,8.54
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148207,8.6
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2cccc(Cl)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148208,8.92
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148209,8.92
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148210,8.17
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2cccc(OC)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148211,8.03
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2OC)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148212,8.09
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3n2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148213,8.8
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc3ncccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148214,8.8
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc3cnccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148215,8.23
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccccc2-n2cccn2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148216,8.7
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148217,8.72
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc(-n3cncn3)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148218,8.52
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148219,8.96
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148220,8.52
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148221,8.62
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-c3noc(C)n3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148222,8.89
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-c3noc(CC)n3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2148223,8.68
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-c3noc(C(C)C)n3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146500,8.7
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146501,8.46
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc(-c3noc(CC)n3)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146502,8.82
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cccc(-c3noc(C)n3)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146503,9.14
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146504,8.82
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146505,8.82
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146506,9.1
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146507,7.39
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146508,9.14
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146509,9.11
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146481,8.96
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146510,9.02
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146511,9.17
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(C)c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146512,9.05
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(C)C)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146513,8.35
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146514,8.3
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146515,9.2
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cccnc2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146499,9.42
+CCCN(CC[C@H]1CC[C@H](NS(=O)(=O)c2cnccc2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2146516,9.03
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,8.817
+CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152629,8.38
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152630,8.26
+CCCN(CCN1CCN(Cc2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152631,8.49
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152632,8.72
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152633,8.66
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152634,7.8
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152745,7.98
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152746,8.54
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152747,8.74
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152748,7.27
+CCCN(CCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152749,8.56
+CCCN(CCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152750,8.76
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152751,8.38
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152752,8.96
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152753,7.32
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152754,8.39
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152755,8.85
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152756,7.28
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccc(O)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152757,7.77
+CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152758,8.09
+CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203406,9.3
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203405,9.4
+CCCN(CC[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203404,9.46
+CCCN(CC[C@H]1C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203403,9.39
+CCCN(CC[C@]1(O)CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203402,9.03
+CCCN(CC[C@]1(O)CC[C@@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2203407,8.8
+CCCN(CCCCCCCCCc1ccccc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206268,7.64
+CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL2203317,8.14
+CCCN(CCCCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206267,7.51
+CCCN(CCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206266,8.0
+CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206265,8.74
+CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206264,9.05
+CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206273,8.96
+CCCN(CCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206272,8.66
+CCCN(CCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206271,8.44
+CCCN(CCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206270,8.4
+CCCN(CCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206269,8.96
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2,CHEMBL65280,8.62
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387629,7.57
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(C)cc2)C1,CHEMBL2387630,7.49
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL2387631,7.75
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387632,8.63
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387633,8.65
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1,CHEMBL2387634,8.43
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NC(C)=O)cc2C1,CHEMBL2387635,6.76
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NC(=O)c3ccccc3)cc2C1,CHEMBL2387636,6.96
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1,CHEMBL2387637,8.06
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1,CHEMBL2387701,8.38
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3cc[nH]c3cc2C1,CHEMBL2387702,7.97
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3,CHEMBL2387703,5.75
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3nc[nH]c3cc2C1,CHEMBL2387704,7.22
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc3nc[nH]c3c2C1,CHEMBL2387705,7.27
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3[nH]c(=O)[nH]c3cc2C1,CHEMBL2387706,6.71
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3[nH]c(=S)[nH]c3cc2C1,CHEMBL2387707,6.95
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3nc[nH]c3cc2C1,CHEMBL2387708,7.71
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(N)cc2C1,CHEMBL2387710,7.34
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(N)cc2C1,CHEMBL2387709,7.69
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(N)cc2C1,CHEMBL252342,7.65
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O,CHEMBL2385102,7.51
+Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387230,7.87
+Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387229,8.37
+O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387265,7.14
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL2387253,8.32
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387260,7.15
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,7.93
+NC(=O)c1cccc(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c1,CHEMBL2430437,8.8
+O=c1oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120697,7.86
+Cc1c(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc2c3c(c(=O)oc12)CCC3,CHEMBL3120696,7.87
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120688,6.96
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120682,6.75
+CCCN(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125998,8.02
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)ncc2C1,CHEMBL3125997,7.17
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)ncc2C1,CHEMBL3125996,8.44
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125995,8.63
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL3125994,9.11
+CCCN(CCCCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125993,8.03
+CCCN(CCN1CCN(c2ccc(-c3ccccc3O)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125992,8.74
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL3125991,7.71
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3125990,8.76
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3124951,8.92
+CCCN(CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125989,8.93
+CCCN(CCN1CCN(c2ccc(-c3ccccc3OC)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125988,8.45
+CCCN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3125987,8.63
+CCCN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125986,8.68
+CCCN(CCN1CCN(c2ccc(-c3ccc(OC)cc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125985,8.85
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1,CHEMBL3265067,8.57
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccc(Cl)cc1,CHEMBL3265066,6.34
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1cccc(Cl)c1,CHEMBL3265065,7.55
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1Cl,CHEMBL3265064,7.72
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)C1CC1c1ccc(Cl)cc1,CHEMBL3265063,8.34
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccccc1,CHEMBL3265062,7.36
+CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1,CHEMBL3265061,6.97
+CCCN[C@@H]1C[C@H]1c1ccccc1,CHEMBL3265060,5.92
+CCCN[C@H]1C[C@@H]1c1ccccc1,CHEMBL3265059,5.93
+N[C@@H]1C[C@H]1c1ccccc1,CHEMBL1179,4.89
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL1081023,7.34
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,6.45
+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,5.89
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(N)=O)CC3)CC2)n1,CHEMBL3701894,8.7
+CCNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(C)=O)CC3)CC2)n1,CHEMBL3701895,8.7
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(=O)N4CCOCC4)CC3)CC2)n1,CHEMBL3701896,8.7
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(=O)N(C)C)CC3)CC2)n1,CHEMBL3701899,8.7
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741292,7.78
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740256,6.63
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740474,7.8
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3742127,7.89
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740143,7.92
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(OC)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3742273,7.6
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3741175,7.86
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(F)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740829,8.05
+CCCN(CCN1CCN(c2ccc3cc[nH]c3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740041,8.94
+CCCN(CCN1CCN(c2c(Cl)ccc3[nH]ccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740286,9.06
+CCCN(CCN1CCN(c2cc(F)c3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740760,8.44
+N#CCN(CCN1CCN(c2ccc3[nH]ccc3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740778,7.84
+N#CCN(CCN1CCN(c2ccc3cc[nH]c3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3742140,9.84
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(F)cc3)C2)n1C,CHEMBL3765754,6.5
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764557,7.1
+Cc1ncoc1-c1nnc(SCCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3763418,7.1
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL3764586,6.7
+Cc1ccc(C2CN(CCCSc3nnc(-c4ocnc4C)n3C)CCO2)cc1,CHEMBL3765402,6.3
+Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(Br)cc3)C2)n1C,CHEMBL3764833,6.7
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccsc1,CHEMBL3764191,7.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1nccs1,CHEMBL3764884,6.6
+Cn1cncc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764251,6.2
+Cn1cccc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL3764739,6.9
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCCCC1,CHEMBL3764245,7.4
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccncc1,CHEMBL3763200,7.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccnc1,CHEMBL3764612,6.6
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cnccn1,CHEMBL3765169,6.8
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1,CHEMBL3764306,7.5
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1,CHEMBL3765422,7.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3765426,7.65
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1,CHEMBL3764212,6.5
+CC(=O)c1ccc(-c2nnc(SCCCN3CCOC(c4ccc(C(F)(F)F)cc4)C3)n2C)cc1,CHEMBL3765267,7.2
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3764830,6.9
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C#N)cc1,CHEMBL3764639,7.0
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3F)C2)nnc1-c1ccc(C(N)=O)cc1,CHEMBL3764597,7.2
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1,CHEMBL3765072,6.9
+Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1,CHEMBL3765285,7.8
+Cc1nc(-c2ccc(-c3nnc(SCCCN4CCOC(c5ccc(C(F)(F)F)cc5)C4)n3C)cc2)no1,CHEMBL3765266,7.6
+Cc1ccc(C2CN(CCCSc3nnc(-c4ccc(-c5noc(C)n5)cc4)n3C)CCO2)cc1,CHEMBL3764246,7.1
diff --git a/chembl_200/CHEMBL3155.csv b/chembl_200/CHEMBL3155.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1584936abe97b744994605c55f6719797df86939
--- /dev/null
+++ b/chembl_200/CHEMBL3155.csv
@@ -0,0 +1,1364 @@
+O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(Cl)cc2)CC1)CCC3,CHEMBL348890,8.14
+CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,CHEMBL836,7.08
+CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1,CHEMBL309106,8.0
+Brc1ccc2ccn(CCN3CCCN(CC4CC4)CC3)c2c1,CHEMBL433134,8.05
+Brc1ccc2ccn(CCN3CCN4CCCCC4C3)c2c1,CHEMBL84270,7.15
+CN1CCCN(CCn2ccc3ccc([N+](=O)[O-])cc32)CC1,CHEMBL78977,6.86
+Brc1ccc2c(ccn2CCN2CCN3CCCCC3C2)c1,CHEMBL81069,6.8
+COc1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL81449,5.8
+Brc1ccc2ccn(CCN3CCCN(C4CCCCC4)CC3)c2c1,CHEMBL310594,7.77
+CN1CCCN(CCn2ccc3ccc(Cl)cc32)CC1,CHEMBL312049,7.47
+CN1CCCN(CCn2ccc3ccc(F)cc32)CC1,CHEMBL309908,6.54
+CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc32)CC1,CHEMBL82550,6.74
+CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc32)CC1,CHEMBL81488,7.43
+CC(C)N1CCCN(CCn2ccc3ccc(Br)cc32)CC1,CHEMBL81784,7.85
+C=Cc1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL81576,6.96
+CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc32)CC1,CHEMBL83802,6.79
+CN1CCCN(CCn2ccc3ccc(-c4ccsc4)cc32)CC1,CHEMBL81684,6.96
+CN1CCCN(CCn2ccc3ccc(C(F)(F)F)cc32)CC1,CHEMBL312489,7.64
+Brc1ccc2ccn(CCN3CCCN(C4CC4)CC3)c2c1,CHEMBL309523,7.8
+CN1CCCN(CCn2ccc3ccc(Br)cc32)CC1,CHEMBL81424,7.51
+Cc1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL312720,6.9
+CCc1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL419101,6.78
+CN1CCCN(CCn2ccc3cc(Br)ccc32)CC1,CHEMBL81041,7.06
+CC(C)c1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL83090,6.84
+C=C(C)c1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL310317,7.15
+Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1,CHEMBL309750,8.52
+Brc1ccc2ccn(CCN3CCCN(C4CCCC4)CC3)c2c1,CHEMBL81022,8.0
+C#Cc1ccc2ccn(CCN3CCCN(C)CC3)c2c1,CHEMBL82708,6.85
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,6.34
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,5.97
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,5.8
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,5.89
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,7.54
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,6.29
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,5.43
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL95067,7.74
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL267777,7.575
+CNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL96729,6.02
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL13816,8.19
+CC[C@@](C)(CO)CNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL97518,7.08
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,CHEMBL274384,7.76
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,7.08
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,6.37
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,5.87
+N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2,CHEMBL2112936,5.8
+CN(C)CCSc1nc2ccccc2s1,CHEMBL161846,7.08
+CN(C)CCSc1cccc(C2CCCCC2)n1,CHEMBL158402,9.15
+CN(C)CCSC(C)(C)C,CHEMBL158973,8.89
+CN(C)CCSc1nc(C(C)(C)C)cs1,CHEMBL161203,7.66
+CN(C)CCSc1nc(-c2ccncc2)cs1,CHEMBL350166,7.57
+CN(C)CCSc1nccs1,CHEMBL161031,5.17
+CN(C)CCSc1ccnc(-c2ccccc2)c1,CHEMBL162071,7.0
+CN(C)CCSc1nc(-c2ccccc2)cs1,CHEMBL345803,7.92
+CN(C)CCSc1nnc(-c2ccccc2)[nH]1,CHEMBL159223,5.92
+Cc1sc(SCCN(C)C)nc1-c1ccccc1,CHEMBL160903,6.77
+CN(C)CCSc1cccc(C2(O)CCCCC2)n1,CHEMBL159143,8.14
+CN(C)CCSc1ncc(-c2ccccc2)s1,CHEMBL434477,5.49
+COc1ccc2[nH]c3c(c2c1)CCN=C3C,CHEMBL338115,5.53
+CC1=NCCc2c1[nH]c1ccccc21,CHEMBL295234,6.55
+COc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL6310,5.85
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.26
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,5.84
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,6.81
+CCc1[nH]c2ccc(OC)cc2c1CCN(C)C,CHEMBL267615,6.52
+Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1,CHEMBL12264,7.497000000000001
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL69257,8.661
+Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1,CHEMBL81607,8.0
+FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1,CHEMBL81276,8.15
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL73979,8.14
+OC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL420010,5.87
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL77855,7.0
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL74756,8.43
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL78218,7.2
+O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL306478,8.06
+Fc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28997,6.38
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,6.99
+CCCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28833,6.15
+Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL282424,6.67
+CSc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28651,6.47
+FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL283036,6.5
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,6.65
+CCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL282829,6.39
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,4.62
+O=C1Nc2cccc3c2C1(CCCCN1CCc2nc[nH]c2C1)CCC3,CHEMBL316039,6.25
+O=C1Nc2cccc3c2C1(CCCCCN1CCc2ccccc2C1)CCC3,CHEMBL314672,7.9
+O=C1Nc2cccc3c2C1(CCCCN1CCc2occc2C1)CCC3,CHEMBL85249,7.8
+CCN1C(=O)C2(CCCCN3CCc4sccc4C3)CCCc3cccc1c32,CHEMBL84660,6.76
+O=C1Nc2cccc3c2C1(CCCCN1CCc2sccc2C1)CCC3,CHEMBL314055,8.19
+O=C1Nc2cccc3c2C1(CCCCN1CCc2ccccc2C1)CCC3,CHEMBL314830,8.35
+O=C1Nc2cccc3c2C1(CCCCN1CCc2[nH]ncc2C1)CCC3,CHEMBL85897,6.09
+O=C1Nc2cccc3c2C1(CCCN1CCc2ccccc2C1)CCC3,CHEMBL85814,8.08
+CN1C(=O)C2(CCCCN3CCc4sccc4C3)CCCc3cccc1c32,CHEMBL85602,8.01
+O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL348410,8.3
+O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3,CHEMBL422869,8.69
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3,CHEMBL418888,8.45
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,5.7
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,5.6
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,5.8
+COc1ccccc1C1CCN(CC2CCc3ccccc3C(=O)C2)CC1,CHEMBL9840,7.95
+Cc1ccccc1OC1CCN(CCC2CCCc3ccccc3C2=O)CC1,CHEMBL269400,7.95
+O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3cc(F)ccc32)CC1,CHEMBL9446,8.16
+O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3cc(F)ccc32)CC1,CHEMBL9951,9.25
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL429202,7.93
+O=C1c2ccccc2CCCN1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL267062,9.39
+O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3ccccc32)CC1,CHEMBL9952,8.56
+O=C(c1ccc(F)cc1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1,CHEMBL9616,8.78
+O=C1c2ccccc2CCCC1CCN1CCC(Oc2ccccc2)CC1,CHEMBL9615,7.6
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL273872,7.99
+Cc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1,CHEMBL9770,8.04
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,8.65
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)oc3ccccc32)CC1,CHEMBL273821,7.56
+O=C1CC(CN2CCC(Oc3ccccc3)CC2)CCc2ccccc21,CHEMBL9696,7.73
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccccc2)CC1,CHEMBL9564,7.69
+O=C(c1ccc(Cl)cc1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1,CHEMBL275343,8.6
+O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3cc(F)ccc32)CC1,CHEMBL9347,8.69
+O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3ccccc32)CC1,CHEMBL275475,7.85
+O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3ccccc32)CC1,CHEMBL275258,7.43
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1,CHEMBL9250,8.03
+O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccc(F)cc2)CC1,CHEMBL275451,8.35
+CC1CCN(CC[C@@H](C)C(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL422146,7.5
+CC([C@H](C)CCN1CCC[C@H](C)C1)S(=O)(=O)c1cccc2ccccc12,CHEMBL151858,6.2
+CC1CCN(CC[C@@H](C)C(C)S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL347115,7.5
+CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL153398,8.4
+CC1CCN(CC[C@@H](C)C(C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1,CHEMBL152292,7.7
+CC1CCN(CC[C@@H](C)C(C)S(=O)(=O)c2cc(Br)c(Br)cc2-c2cccs2)CC1,CHEMBL154090,7.8
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,8.507
+CC([C@@H](C)CCN1CCC[C@H](C)C1)S(=O)(=O)c1cccc2ccccc12,CHEMBL345971,4.0
+CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL347286,8.7
+CC([C@H](C)CCN1CCC[C@@H](C)C1)S(=O)(=O)c1cccc2ccccc12,CHEMBL152873,6.9
+COc1cccc(S(=O)(=O)N2CCC[C@H]2CCN2CCC(C)CC2)c1,CHEMBL153156,8.0
+CC([C@@H](C)CCN1CCC[C@@H](C)C1)S(=O)(=O)c1cccc2ccccc12,CHEMBL347511,5.8
+O=C1Nc2cccc3c2C1(CCCN1CCN(c2ccccc2)CC1)CCC3,CHEMBL13052,8.295
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccc2)CC1)CCC3,CHEMBL12427,8.526
+O=C1Nc2cccc3c2C1(CCN1CCN(c2ccccc2)CC1)CCC3,CHEMBL268921,6.997000000000001
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccn2)CC1)CCC3,CHEMBL428494,8.715
+N#Cc1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL273246,8.41
+COc1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL12702,8.37
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,8.2
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,8.5
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.19
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccc2Cl)CC1)CCC3,CHEMBL307101,7.91
+COC1(c2ccccc2)CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL307352,7.66
+CC(=O)n1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL71225,8.19
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ncccn2)CC1)CCC3,CHEMBL72008,7.34
+O=C1Nc2cccc3c2C1(CCCCN1CCc2c([nH]c4ccccc24)C1)CCC3,CHEMBL71383,8.24
+NC(=O)Cn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL70889,8.06
+COc1cccc(N2CCN(CCCCC34CCCc5cccc(c53)NC4=O)CC2)c1,CHEMBL71847,8.63
+CC(=O)C1(c2ccccc2)CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL307686,7.14
+O=C1Nc2ccc(Br)c3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL71057,7.91
+Cn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL305526,7.72
+COc1ccc2[nH]c3c(c2c1)CCN(CCCCC12CCCc4cccc(c41)NC2=O)C3,CHEMBL308461,7.53
+COc1ccc(N2CCN(CCCCC34CCCc5cccc(c53)NC4=O)CC2)cc1,CHEMBL71390,7.69
+COc1ccc2c3c1CCCC3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2,CHEMBL70048,6.96
+NC(=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL70869,7.76
+Cc1cccc(C)c1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL302723,6.83
+Cc1ccc(C2=CCN(CCCCC34CCCc5cccc(c53)NC4=O)CC2)cc1,CHEMBL304731,8.32
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CCC3,CHEMBL69040,7.62
+Cc1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL304167,7.98
+CN1C(=O)C2(CCCCN3CC=C(c4ccccc4)CC3)CCCc3cccc1c32,CHEMBL70819,7.6
+CN(C)C(=O)Cn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL71170,7.72
+O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccc2C(F)(F)F)CC1)CCC3,CHEMBL69388,7.13
+NC(=O)c1ccc2c3c1CCCC3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2,CHEMBL70764,6.38
+O=C1Nc2ccc(O)c3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL422587,8.09
+CNC(=O)Cn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL553794,8.433
+NC(=O)C1(c2ccccc2)CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL68094,6.65
+C=CCn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL302766,8.22
+CC(=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1,CHEMBL303166,8.1
+CN(C)C(=O)n1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL71959,8.15
+CC(=O)c1ccc2c3c1CCCC3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2,CHEMBL71165,7.01
+O=C1Nc2cccc3c2C1(CCCCN1CCC(O)(c2ccccc2)CC1)CCC3,CHEMBL302093,7.36
+COCn1c2c(c3ccccc31)CCN(CCCCC13CCCc4cccc(c41)NC3=O)C2,CHEMBL71224,7.77
+O=C1Nc2cccc3c2C1(CCCCN1CCC(c2ccccc2)CC1)CCC3,CHEMBL12846,8.55
+CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL1788231,7.8
+COc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL332701,8.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,8.0
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL333784,8.4
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,8.7
+CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL114012,7.4
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL157910,8.7
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,9.5
+COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1N1CCNCC1,CHEMBL154274,8.99
+C[C@@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1,CHEMBL12389,6.9
+C[C@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1,CHEMBL12654,6.2
+CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1,CHEMBL12771,7.7
+C[C@@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc12,CHEMBL267543,5.8
+CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL12777,7.5
+CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(Br)s2)CC1,CHEMBL274595,7.8
+CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL275996,7.5
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,5.6
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,5.5
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NCC3)CC1,CHEMBL113192,7.64
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c[nH]nc3c2)CC1,CHEMBL111922,8.19
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3n[nH]nc3c2)CC1,CHEMBL112765,7.59
+O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL114345,9.08
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)CC1,CHEMBL111956,6.78
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3nc[nH]c3c2)CC1,CHEMBL112876,8.19
+O=c1[nH]c2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL115262,9.15
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL430706,9.17
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL330353,8.62
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1,CHEMBL112150,7.24
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2cc3ccccc3[nH]2)CC1,CHEMBL331803,8.2
+O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL323778,8.74
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(F)cc2)CC1,CHEMBL413707,9.3
+O=C(c1ccc(Cl)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,CHEMBL116292,9.1
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,8.63
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,6.0
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,6.2
+Cc1c(NC2=NCCN2)cccc1-c1ccccc1,CHEMBL92221,7.8
+CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,CHEMBL460,6.58
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.15
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,7.74
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL567,7.64
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,8.96
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,8.96
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.3
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,8.01
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,7.87
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,5.52
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.52
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,8.7
+Cc1[nH]c2ccc(O)cc2c1CCN,CHEMBL266591,5.9
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,6.52
+CCCCC(=O)c1ccc(F)cc1,CHEMBL443757,6.85
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.2
+CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,CHEMBL1255588,7.2
+CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL428892,9.0
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,7.9
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.3
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,8.1
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,8.2
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.92
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,7.51
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,7.85
+COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(c3ccccc3OC)CC2)c1,CHEMBL368044,7.74
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1,CHEMBL181874,8.27
+CC(Nc1nc(N)nc(NCCCc2ccccc2)n1)c1ccccc1,CHEMBL182121,7.22
+CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1,CHEMBL182797,8.1
+C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1,CHEMBL182174,8.52
+C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1,CHEMBL183862,8.52
+C[C@H](Nc1nc(F)nc(NCCOc2ccccc2)n1)c1ccccc1,CHEMBL441312,8.0
+C[C@H](Nc1nc(NCCOc2ccccc2)nc(N(C)C)n1)c1ccccc1,CHEMBL182840,7.64
+Cc1nc(NCCOc2ccccc2)nc(N[C@@H](C)c2ccccc2)n1,CHEMBL182805,7.27
+CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL182322,8.3
+C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL182937,8.7
+C[C@@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL180946,7.44
+CC(Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1,CHEMBL183462,8.1
+C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL413049,8.7
+C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1,CHEMBL182418,8.05
+CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1,CHEMBL180086,8.7
+C[C@H](Nc1cc(NCCc2ccccc2)ncn1)c1ccccc1,CHEMBL180087,7.48
+C[C@H](Nc1cc(NCCc2ccc(F)cc2)ncn1)c1ccccc1,CHEMBL182680,8.3
+C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ncn1)c1ccccc1,CHEMBL182943,8.3
+CC(Nc1nccc(NCCc2ccccc2)n1)c1ccccc1,CHEMBL182070,8.22
+CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1,CHEMBL182071,9.0
+C[C@H](Nc1ccnc(NCCc2ccccc2)n1)c1ccccc1,CHEMBL185384,9.22
+CC(Nc1ccnc(NCCc2ccc(F)cc2)n1)c1ccccc1,CHEMBL185437,8.22
+C[C@H](Nc1ccnc(NCCOc2ccccc2)n1)c1ccccc1,CHEMBL185511,8.7
+C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1,CHEMBL183277,9.52
+C[C@H](Nc1cc(NCCc2ccccc2)ccn1)c1ccccc1,CHEMBL181950,8.52
+C[C@H](Nc1cc(NCCc2ccc(F)cc2)ccn1)c1ccccc1,CHEMBL185512,8.4
+C[C@H](Nc1cc(NCCOc2ccccc2)ccn1)c1ccccc1,CHEMBL184607,9.4
+C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1,CHEMBL183423,9.4
+C[C@H](Nc1cncc(NCCc2ccccc2)c1)c1ccccc1,CHEMBL182356,7.89
+C[C@H](Nc1cncc(NCCc2ccc(F)cc2)c1)c1ccccc1,CHEMBL182006,7.8
+C[C@H](Nc1cncc(NCCOc2ccccc2)c1)c1ccccc1,CHEMBL359725,8.4
+C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1,CHEMBL184789,8.4
+C[C@H](Nc1ccnc(NCCc2ccccc2)c1)c1ccccc1,CHEMBL182923,9.52
+C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1,CHEMBL181605,9.4
+C[C@H](Nc1ccnc(NCCOc2ccccc2)c1)c1ccccc1,CHEMBL181356,9.4
+C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1,CHEMBL363452,9.7
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL366164,8.19
+CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1,CHEMBL329566,7.89
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,6.58
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL195706,7.24
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1,CHEMBL194659,7.1
+CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL364270,7.04
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1,CHEMBL435301,6.6
+CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,CHEMBL193435,7.46
+CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL363581,7.47
+CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,CHEMBL193639,8.195
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1,CHEMBL444015,5.81
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,7.13
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,7.62
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,6.48
+Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1,CHEMBL425190,6.3
+O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1,CHEMBL187928,5.9
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,5.4
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1,CHEMBL188486,6.0
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,5.85
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,6.47
+CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1,CHEMBL370110,6.28
+CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1,CHEMBL198463,8.35
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,8.04
+COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,CHEMBL426317,6.48
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL209324,7.52
+CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,CHEMBL209821,6.15
+COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,CHEMBL210514,5.76
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,9.66
+Cc1ccccc1-c1cccc(CCN)c1,CHEMBL234885,8.12
+Cc1cccc(C)c1-c1cccc(CCN(C)C)c1,CHEMBL234881,8.21
+COc1ccccc1-c1cccc(CCN(C)C)c1,CHEMBL232792,8.08
+Cc1ccccc1-c1cccc(CCN(C)C)c1,CHEMBL395870,8.12
+COc1cccc(OC)c1-c1cccc(CCN(C)C)c1,CHEMBL232791,8.07
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,7.0
+CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,CHEMBL243712,7.6
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,8.26
+C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,CHEMBL196514,8.1
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,7.2
+NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12,CHEMBL392760,6.17
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL393539,6.9
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238732,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(F)cc2n1,CHEMBL238730,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,7.4
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1,CHEMBL238520,7.4
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1,CHEMBL238519,6.9
+Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,CHEMBL183460,6.7
+COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1,CHEMBL240888,6.1
+CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1,CHEMBL392888,5.44
+CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21,CHEMBL240025,7.0
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2,CHEMBL240024,6.7
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2,CHEMBL392887,6.1
+CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL429644,4.44
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2,CHEMBL241282,6.52
+CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241103,7.0
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2,CHEMBL241102,6.0
+OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL442093,5.57
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2,CHEMBL391192,6.4
+COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL241101,4.6
+CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21,CHEMBL240023,5.28
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2,CHEMBL392970,6.3
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2,CHEMBL240022,6.4
+COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2,CHEMBL240021,5.66
+CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21,CHEMBL241281,6.7
+Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21,CHEMBL241280,7.34
+CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1,CHEMBL391191,6.77
+CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21,CHEMBL241279,7.46
+CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21,CHEMBL241100,7.7
+COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2,CHEMBL391190,7.44
+c1ccc2c3c([nH]c2c1)C(Cc1ccc2c(c1)OCO2)NCC3,CHEMBL328476,8.05
+COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL393275,7.35
+COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1,CHEMBL319005,7.59
+COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C,CHEMBL241099,5.11
+COc1cccc(C2NCCc3c2[nH]c2ccccc32)c1,CHEMBL241098,5.77
+c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1,CHEMBL241083,4.01
+COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1,CHEMBL241082,5.46
+Oc1cccc(C2NCCc3c2[nH]c2ccccc32)c1,CHEMBL392401,5.96
+COc1cc2c(cc1O)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3,CHEMBL410604,7.1
+COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4,CHEMBL441356,5.3
+CC1(C)CC(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1,CHEMBL239259,7.34
+CC1C(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1C,CHEMBL240110,6.97
+O=C1C2CC=CCC2C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL239899,6.47
+O=C1C2CC=CCC2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239898,7.51
+O=C1C2=C(CCCC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239897,6.87
+O=C1CCCC(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL239681,5.92
+O=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239680,7.68
+CC1(C)CC(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1,CHEMBL239467,6.66
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,7.26
+CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253096,6.22
+NC1=NCc2c(Cl)cccc2N1,CHEMBL401541,6.1
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,6.53
+CCC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270176,7.01
+CC1N=C(N)Nc2c(Cl)ccc(Cl)c21,CHEMBL272781,8.62
+COc1c(Cl)ccc2c1C(C)N=C(N)N2,CHEMBL258073,7.91
+COc1cc(Cl)c(C)c2c1NC(N)=NC2C,CHEMBL401745,8.6
+CNC1=NC(C)c2cccc(OC(C)C)c2N1,CHEMBL402179,8.62
+CC(C)Oc1cccc2c1NC(N)=NC2C,CHEMBL258075,9.0
+COc1cccc2c1NC(N)=NC2C,CHEMBL408152,8.09
+CNC1=NC(C)c2c(ccc(Cl)c2Cl)N1,CHEMBL271298,7.88
+CC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL273170,8.06
+CCC1N=C(N)Nc2ccc(Cl)c(Cl)c21,CHEMBL439240,7.14
+CNC1=NC(C)c2c(Cl)cccc2N1,CHEMBL269964,7.82
+CC1N=C(N)Nc2cccc(Cl)c21,CHEMBL270177,7.8
+CC1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL404511,7.48
+CC1N=C(NCC(F)F)Nc2c(Cl)ccc(Cl)c21,CHEMBL271253,6.44
+COc1c(Cl)ccc2c1C(C)N=C(NCC(F)F)N2,CHEMBL257744,7.75
+CC(C)Oc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL446459,8.38
+COc1cccc2c1NC(NCC(F)F)=NC2C,CHEMBL404248,7.41
+C[C@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256047,5.77
+C[C@@H]1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL256694,8.11
+CC1N=C(NCC(F)F)Nc2ccc(Cl)c(Cl)c21,CHEMBL429136,7.63
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,8.22
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,7.61
+CCC1(CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL412143,7.68
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c(Cl)cc(Cl)cc21,CHEMBL260870,8.005
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c(Cl)cc(F)cc21,CHEMBL260761,8.22
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21,CHEMBL260551,8.08
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,9.1
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL259010,8.55
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c(Cl)cc(Cl)cc21,CHEMBL259009,8.02
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c(Cl)cc(F)cc21,CHEMBL259215,8.32
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)c(Cl)cc21,CHEMBL261009,8.04
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL259549,9.17
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(Cl)cc21,CHEMBL411919,8.08
+CCC1(CCCCN2CCc3ccccc3C2)C(=O)Nc2ccccc21,CHEMBL407263,8.12
+CCC1(CCCCN2CCc3sccc3C2)C(=O)Nc2ccccc21,CHEMBL410128,8.37
+CCC1(CCCCN2CCC(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL258537,8.22
+CCC1(CCCCN2CC=C(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL410225,8.92
+CCC1(CCCCN2CC=C(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL410226,8.99
+CCC1(CCCCN2CCN(c3ccc(C)c(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL259086,9.18
+CCC1(CCCCN2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL406414,9.22
+CCC1(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL259087,9.21
+CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL260872,9.37
+CCC1(CCCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL258593,7.6
+CCC1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21,CHEMBL260762,8.59
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,7.345
+O=C1Nc2ccccc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL261209,9.31
+CC(C)CC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL408191,8.74
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL408426,8.47
+CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL259216,8.82
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL408450,8.71
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL259550,8.68
+CCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)N(Cc2ccccc2)c2ccccc21,CHEMBL408451,8.18
+CCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21,CHEMBL265927,8.27
+CCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(C)c2ccccc21,CHEMBL408429,7.48
+CCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21,CHEMBL410628,8.68
+CCC1(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL262068,8.91
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21,CHEMBL261719,9.42
+CCC1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL258496,8.84
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,CHEMBL408976,9.395
+NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12,CHEMBL484345,5.29
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL482562,5.16
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1,CHEMBL520129,5.24
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,5.23
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,7.8
+Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL497963,7.7
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,7.7
+COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1,CHEMBL393492,6.8
+O=C1c2ccccc2CN1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL521973,6.69
+O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL395933,7.13
+COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1,CHEMBL394080,7.49
+O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL489028,7.495
+O=C1Cc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL489029,7.2
+COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc32)CC1,CHEMBL522417,7.2
+O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL506875,7.16
+O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3[nH]cnc23)CC1,CHEMBL523121,7.17
+O=C1Cc2ccccc2N1C/C=C\CN1CCN(c2cccc3ccccc23)CC1,CHEMBL490644,6.6
+O=C1Cc2ccccc2N1C/C=C/CN1CCN(c2cccc3ccccc23)CC1,CHEMBL490645,7.16
+O=C1Cc2ccccc2N1CCCCN1CCC(c2ccccc2)CC1,CHEMBL489448,6.8
+O=C1Cc2ccccc2N1CCCCN1CCCC(c2ccccc2)C1,CHEMBL489255,6.71
+O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1,CHEMBL445334,8.15
+O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1,CHEMBL455210,6.98
+O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1,CHEMBL489256,6.46
+O=C1c2cccc3cccc(c23)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL12259,7.05
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,6.94
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,7.23
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,6.68
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL476838,5.29
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,6.3
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,6.14
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL490634,5.2
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,5.54
+O=c1n(CCN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1,CHEMBL476248,5.91
+Cc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21,CHEMBL478073,6.04
+COc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)c1,CHEMBL476862,6.06
+COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1,CHEMBL477065,6.25
+Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1,CHEMBL477066,5.73
+Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3C)c3ccccc32)CC1,CHEMBL515789,4.75
+COc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4C)CC3)c3ccccc32)c1,CHEMBL515783,5.6
+COc1ccc(-n2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476615,6.53
+COc1ccc(-n2c(=O)n(CCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476616,6.77
+COc1ccc(-n2c(=O)n(CCCCN3CCN(c4ccccc4OC)CC3)c3ccccc32)cc1,CHEMBL476821,6.57
+O=c1[nH]c2ccccc2n1CCN1CCN(c2ccccc2)CC1,CHEMBL514058,5.99
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL476822,5.74
+O=c1[nH]c2ccccc2n1CCCN1CCN(c2ccccc2)CC1,CHEMBL478682,6.61
+O=c1[nH]c2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL476462,7.32
+COc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL476463,7.59
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL515780,8.22
+COc1ccccc1N1CCN(CCCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL476464,7.42
+O=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL478905,7.7
+COc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1,CHEMBL518752,7.11
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL479105,7.96
+O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL515939,8.15
+O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1,CHEMBL204171,8.1
+COc1ccccc1N1CCN(C(=O)NC(=N)NCc2cccc3ccccc23)CC1,CHEMBL557330,8.22
+CCOc1ccccc1CNC(=N)NC(=O)NC,CHEMBL561346,7.31
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(C)CC2)c1,CHEMBL563760,6.75
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL558025,6.79
+COc1ccccc1N1CCN(C(=N)NCCNS(=O)(=O)c2cccc(C)c2)CC1,CHEMBL550740,6.47
+Cc1cccc(S(=O)(=O)NCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL561750,6.56
+COc1ccccc1N1CCN(C(=N)NCCCNS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL550881,6.71
+Cc1cccc(S(=O)(=O)NCCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL557740,6.82
+COc1ccccc1N1CCN(C(=N)NCCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL559260,6.85
+N=C(NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1,CHEMBL564509,6.7
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,8.1
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,9.41
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,9.6
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,9.68
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,7.17
+CN(C)CCOc1cccc(Br)n1,CHEMBL597356,5.65
+Cc1cccc(C)c1-c1cccc(SCCN(C)C)n1,CHEMBL597357,6.89
+Cc1cccc(C)c1-c1cccc(OCCN(C)C)n1,CHEMBL589524,5.79
+CN(C)CCSc1cccc(-c2ccoc2)n1,CHEMBL599612,7.59
+CN(C)CCSc1ccccc1Br,CHEMBL610515,5.39
+CN(C)CCOc1ccccc1Br,CHEMBL599818,5.57
+CN(C)CCSc1ccccc1-c1ccccc1,CHEMBL607584,6.26
+CN(C)CCOc1ccccc1-c1ccccc1,CHEMBL20666,6.81
+COc1ccccc1-c1ccccc1OCCN(C)C,CHEMBL599819,6.17
+Cc1cccc(C)c1-c1ccccc1SCCN(C)C,CHEMBL584429,5.84
+COc1cccc(OC)c1-c1ccnc(CCN(C)C)n1,CHEMBL608138,5.83
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1,CHEMBL186112,8.47
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1,CHEMBL362540,8.54
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1,CHEMBL596959,9.52
+Cc1cccc(C)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2,CHEMBL367584,7.87
+COc1cccc(OC)c1-c1cccc2c1OC[C@H](N(C)C)C2,CHEMBL183329,8.59
+OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl,CHEMBL1094908,6.58
+OC(CNCC1COc2ccccc2O1)COc1ccccc1F,CHEMBL1091933,6.71
+O=C1Nc2cccc3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL25815,8.67
+CN1CCc2[nH]c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3c2C1,CHEMBL1099284,7.38
+COc1ccccc1CC(c1ccccc1)N1CCNCC1,CHEMBL214335,6.08
+COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1,CHEMBL1209157,7.82
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,5.24
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1,CHEMBL1277917,6.12
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL1277104,6.24
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12,CHEMBL1277105,5.81
+COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1631532,7.6
+CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632220,7.4
+CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1,CHEMBL1632206,7.2
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,7.1
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1,CHEMBL1632210,7.1
+Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1,CHEMBL1631535,7.0
+Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1,CHEMBL1631545,6.9
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,CHEMBL1631540,6.8
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.7
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,6.3
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,5.4
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,5.49
+Clc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644267,7.85
+O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,CHEMBL1774995,7.3
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,CHEMBL1774991,6.79
+OC(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12,CHEMBL1782812,4.56
+N#Cc1ccc(N2CCC(NCCC(O)c3csc4ccccc34)CC2)cc1,CHEMBL1782811,5.78
+N#Cc1ccc(N2CCCN(CCC(O)c3csc4ccccc34)CC2)cc1,CHEMBL1782809,6.58
+O=[N+]([O-])c1ccc(N2CCCN(CCC(O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1,CHEMBL1782795,5.06
+N#Cc1ccc(N2CCN(CCC(O)c3csc4ccccc34)CC2)cc1,CHEMBL1782808,4.9
+O=C(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12,CHEMBL1782794,4.27
+O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12,CHEMBL1782807,5.32
+N#Cc1ccc(N2CCC(NCCC(=O)c3csc4ccccc34)CC2)cc1,CHEMBL1782793,5.14
+O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12,CHEMBL1782806,5.04
+O=C(CCN1CCCN(c2cnc3ccccc3n2)CC1)c1csc2ccccc12,CHEMBL1782801,5.02
+N#Cc1ccc(N2CCCN(CCC(=O)c3csc4ccccc34)CC2)cc1,CHEMBL1782800,4.82
+O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12,CHEMBL1782798,4.04
+Nc1ccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)cc1,CHEMBL1782796,4.85
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3216068,6.21
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3216277,6.82
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3216729,6.74
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3215834,6.48
+COc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3216945,6.56
+COc1cccc(N2CCN(CCCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1,CHEMBL3217162,6.32
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2F)CC1,CHEMBL3215835,6.13
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL1812288,6.39
+Cc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1,CHEMBL3216488,6.53
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1812290,6.38
+O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1,CHEMBL3216275,5.24
+COc1cccc2[nH]cc(-c3ccnc(N)n3)c12,CHEMBL1829959,5.7
+O=C1Nc2cc(F)ccc2C1CCCCN1CC=C(c2cccc(Cl)c2)CC1,CHEMBL1836794,7.89
+CCC1(CCCCN2CC=C(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21,CHEMBL1836793,7.28
+O=C1Nc2ccc(F)cc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1836792,7.4
+O=C1Nc2ccccc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1,CHEMBL1836791,7.95
+O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccccn2)CC1,CHEMBL1836790,7.77
+CCC1(CCCCN2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21,CHEMBL1836789,8.4
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1,CHEMBL1836788,7.96
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3Cl)CC2)C(=O)Nc2ccccc21,CHEMBL1836787,6.86
+CCC1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)Nc2ccccc21,CHEMBL1836786,8.29
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL1836785,8.3
+CCC1(CCCCN2CCN(c3cccc(F)c3)CC2)C(=O)Nc2ccccc21,CHEMBL1836784,7.96
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(Cl)c(F)c2Cl,CHEMBL1836783,7.02
+O=C1Nc2c(Cl)cc(Cl)cc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1836782,6.97
+O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1836860,7.6
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1836859,7.4
+CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(Cl)c(F)c2Cl,CHEMBL1836858,7.14
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL1836856,7.8
+COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,CHEMBL1910139,6.88
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,CHEMBL1910140,7.11
+COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,CHEMBL1910141,7.01
+CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1,CHEMBL202780,8.1
+COc1cccc2c1CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2,CHEMBL1917330,6.44
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1,CHEMBL364124,7.72
+O=S(=O)(NCCN1CCc2ccccc2C1)c1ccc2ccccc2c1,CHEMBL1917331,7.11
+O=S(=O)(NCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL1917332,6.11
+O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1,CHEMBL1917333,7.1
+O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL1917334,6.57
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1,CHEMBL1914488,7.19
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL1917335,7.03
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2ccccc12,CHEMBL1917336,6.53
+NCCCN(CCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1,CHEMBL1917337,5.52
+NCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1,CHEMBL1917338,6.57
+NCCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1,CHEMBL1917339,6.47
+NCCCN(CCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1,CHEMBL1917340,6.63
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1,CHEMBL1917341,7.1
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917342,6.81
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917343,6.88
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917344,7.05
+COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917345,7.26
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1,CHEMBL1917346,6.64
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1,CHEMBL1917347,6.65
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12,CHEMBL1917348,7.06
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1,CHEMBL1917350,6.48
+O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cnc2ccccc2c1,CHEMBL1917351,6.0
+O=S(=O)(NCCCN1CCC2CCCCC2C1)c1ccc2ncccc2c1,CHEMBL1917352,5.85
+O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cccc2cccnc12,CHEMBL1917353,5.9
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917354,7.42
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917355,7.54
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917356,7.39
+CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917357,7.43
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917358,6.73
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917359,7.89
+CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917360,7.48
+Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940418,7.05
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,6.54
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,6.68
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cccnc2c1,CHEMBL1949969,6.42
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ncccc2c1,CHEMBL1949968,6.47
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949967,6.51
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2cccnc12,CHEMBL1949966,7.6
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ncccc2c1,CHEMBL1949965,7.16
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL1949964,7.06
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949963,7.25
+O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949962,6.95
+O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949979,6.22
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949978,6.9
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949970,7.17
+O=S(=O)(NCCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949971,6.48
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12,CHEMBL1949972,7.44
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL1949973,7.3
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949974,6.84
+O=S(=O)(c1ccc2cccnc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949975,6.68
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949976,7.4
+O=S(=O)(c1cncc2ccccc12)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949977,7.33
+Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946255,5.69
+Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL1946254,6.38
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946258,6.45
+O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL1946257,5.55
+Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037430,6.1
+Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL2037431,6.48
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL2037432,6.01
+c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1,CHEMBL2037521,6.64
+c1ccc2c(c1)CCN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037522,7.45
+c1ccc2c(c1)CN(CCCCc1nc3ccccc3s1)C2,CHEMBL2037523,6.68
+O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037518,6.37
+O=C(CCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037519,5.61
+O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,CHEMBL2037520,6.9
+O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,CHEMBL2037526,6.29
+O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1,CHEMBL2037527,6.62
+O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,CHEMBL2037528,5.54
+O=C(CCCCN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1,CHEMBL2037529,6.47
+O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037530,7.2
+O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,CHEMBL2037531,6.97
+CCOc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2SC)CC1,CHEMBL2158026,5.93
+Cc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2C(C)(C)C)CC1,CHEMBL2158027,5.82
+Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc(-c3ccccc3)c2)CC1,CHEMBL2158028,5.57
+Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc3c2CCCC3)CC1,CHEMBL2158029,6.39
+O=C(NCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1)c1cccc(F)c1,CHEMBL2158030,6.38
+O=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL2158031,6.48
+CC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1,CHEMBL2158032,6.39
+COc1ccc(OC)c(S(=O)(=O)NCC2CCN(CCOc3ccccc3C(C)C)CC2)c1,CHEMBL2158033,7.57
+CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1,CHEMBL2158034,6.51
+CCOc1ccccc1C(=O)NC1CCN(CCSc2ccccc2-c2ccccc2)CC1,CHEMBL2158035,6.48
+Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)CC1,CHEMBL2158036,6.09
+CC(C)(C)c1ccccc1OCCN1CCC(NC(=O)c2cccc(F)c2)CC1,CHEMBL2158037,5.78
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(F)c1,CHEMBL2158038,6.41
+O=C(NC1CCN(CCOc2cc(Cl)ccc2Cl)CC1)c1ccc2ccccc2n1,CHEMBL2158039,6.06
+O=C(NC1CCN(CCSc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1,CHEMBL2158025,6.06
+CSc1ccccc1OCCN1CCC(NC(=O)c2cccs2)CC1,CHEMBL2159306,5.94
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccs1,CHEMBL2159307,6.56
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1,CHEMBL2159308,7.77
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159309,7.92
+O=S(=O)(NC1CCN(CCSc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1,CHEMBL2159310,7.03
+CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)C1,CHEMBL2159311,6.69
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(NC(C)=O)c2)C1,CHEMBL2159312,5.47
+CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1,CHEMBL2159313,7.07
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1,CHEMBL2159314,5.96
+Cc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1,CHEMBL2159315,7.23
+Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)C1,CHEMBL2159316,6.37
+O=C(NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1,CHEMBL2159317,6.15
+O=C(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccc(F)c1,CHEMBL2159318,5.65
+O=C(NC1CCN(CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1,CHEMBL2159319,5.96
+O=C(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc2c(c1)OCCO2,CHEMBL2159320,6.79
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159321,8.15
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159322,8.3
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159323,8.3
+O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(F)c(F)c1,CHEMBL2159454,7.01
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159455,7.7
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1,CHEMBL2159456,5.65
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159457,7.22
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL2159458,7.89
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1,CHEMBL2159459,5.87
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159460,7.34
+CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159461,7.11
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1,CHEMBL2159462,5.66
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1,CHEMBL2159463,5.62
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1,CHEMBL2159464,6.81
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159465,9.52
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1,CHEMBL2159466,8.15
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F,CHEMBL2159467,7.68
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc3ccccc3n2)C1,CHEMBL2159468,6.75
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1,CHEMBL2159469,7.39
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccs2)C1,CHEMBL2159470,7.54
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1,CHEMBL2159471,8.0
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1,CHEMBL2159472,7.57
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1,CHEMBL2159473,5.84
+O=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1,CHEMBL2159474,7.85
+O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1,CHEMBL2159475,7.24
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159476,6.92
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1,CHEMBL2159477,8.0
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2159478,7.96
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159479,8.05
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1ccc(F)cc1,CHEMBL2159480,7.8
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)c(F)c1,CHEMBL2159481,8.15
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1ccc(F)c(F)c1,CHEMBL2159482,6.53
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cc(F)ccc1F,CHEMBL2159483,8.05
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F,CHEMBL2159484,7.8
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159485,8.4
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159486,7.82
+CC(C)c1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159487,8.22
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159488,8.4
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159489,8.7
+CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159490,7.55
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159491,7.92
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159492,8.0
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,5.15
+Cc1ccccc1-c1cccc(N2CCNCC2)c1,CHEMBL2164330,8.85
+Cc1ccccc1-c1ccccc1N1CCNCC1,CHEMBL2164329,8.16
+COc1ccccc1-c1cccc(N2CCNCC2)c1,CHEMBL2164328,8.09
+COc1ccccc1-c1ccccc1N1CCNCC1,CHEMBL2164344,7.74
+COc1cccc(OC)c1-c1cccc(N2CCNCC2)c1,CHEMBL2164343,8.15
+COc1cccc(OC)c1-c1ccccc1N1CCNCC1,CHEMBL2164342,7.02
+c1ccc(-c2cccc(N3CCNCC3)c2)nc1,CHEMBL2164341,7.1
+c1ccc(-c2ccccc2N2CCNCC2)nc1,CHEMBL2164340,7.64
+O=[N+]([O-])c1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164339,7.89
+O=[N+]([O-])c1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL2164338,8.15
+COc1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL2164336,8.59
+Cc1ccc(-c2cccc(N3CCNCC3)c2)cc1C,CHEMBL2164335,7.03
+Cc1ccc(-c2ccccc2N2CCNCC2)cc1C,CHEMBL2164334,8.72
+Fc1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164333,6.96
+Fc1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL2164332,8.57
+c1ccc(-c2cccc(N3CCNCC3)c2)cc1,CHEMBL2164331,7.6
+c1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL494675,8.85
+O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,CHEMBL2164354,7.22
+O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,CHEMBL2164350,6.7
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,CHEMBL2179222,5.71
+COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,CHEMBL2179217,5.2
+CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1,CHEMBL2181187,5.46
+CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1,CHEMBL2181170,5.71
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.72
+CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1,CHEMBL2181168,5.99
+CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1,CHEMBL2181189,6.42
+CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1,CHEMBL2181169,6.82
+Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12,CHEMBL2181166,6.82
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,5.61
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205814,5.16
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,5.2
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,5.44
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,5.46
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,5.44
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,7.68
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,7.25
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccnc12,CHEMBL2312638,7.57
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,7.51
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312937,6.91
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312936,7.39
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,7.52
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,7.92
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312642,7.51
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312641,7.34
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,5.93
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,6.23
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,6.46
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,6.71
+Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL2164327,9.22
+COc1ccc(-c2ccccc2CN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL2375370,7.34
+COc1cccc(-c2ccccc2CN2CCN(c3ccccc3OC)CC2)c1,CHEMBL2376462,7.105
+COc1ccccc1-c1ccccc1CN1CCN(c2ccccc2OC)CC1,CHEMBL2376461,7.37
+COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2C)CC1,CHEMBL2376460,6.51
+COc1ccccc1N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1,CHEMBL2376459,6.68
+COc1ccccc1N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1,CHEMBL2376458,6.66
+COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1,CHEMBL2376457,6.53
+COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2F)CC1,CHEMBL2376456,6.18
+FC(F)(F)c1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1,CHEMBL2376455,5.78
+Cc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1,CHEMBL2376450,5.56
+Cc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1,CHEMBL2376449,5.91
+Cc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1,CHEMBL2376448,5.76
+COc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1OC,CHEMBL2376447,5.73
+COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1,CHEMBL2376469,6.36
+c1ccc(-c2ccccc2CN2CCN(c3ccccc3)CC2)cc1,CHEMBL2376463,6.27
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.99
+O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,CHEMBL481153,6.48
+COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1,CHEMBL2401935,6.37
+COc1ccc2c(=O)c3cc(CN4CCN(c5ccccc5OC)CC4)ccc3oc2c1,CHEMBL2401934,5.94
+COc1ccc2c(=O)c3cc(CN4CCN(Cc5ccccc5)CC4)ccc3oc2c1,CHEMBL3217036,4.87
+COc1ccc2c(=O)c3cc(CN4CCN(C)CC4)ccc3oc2c1,CHEMBL3215930,4.77
+COc1ccc2c(=O)c3cccc(CN4CCN(c5ccccc5OC)CC4)c3oc2c1,CHEMBL2401931,6.71
+O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12,CHEMBL3216145,4.76
+CN1CCN(Cc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1,CHEMBL3215698,4.98
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,CHEMBL74656,6.0
+CN1C(=O)C2(CCCCCN3CCc4sccc4C3)CCCc3cccc1c32,CHEMBL2413451,8.01
+COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,CHEMBL2413154,7.89
+Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,CHEMBL2413153,7.76
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,5.35
+COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,CHEMBL2431120,6.03
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,5.94
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058427,5.27
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C,CHEMBL2058416,5.39
+CNC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C,CHEMBL2442267,5.47
+CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N=C1N,CHEMBL2442276,5.91
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058407,6.1
+NC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2442272,6.29
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccncc3)CC2)cc1,CHEMBL2442999,7.74
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3cccnc3)CC2)cc1,CHEMBL2442998,7.62
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccccn3)CC2)cc1,CHEMBL2442997,7.63
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccncc3)CC2)cc1,CHEMBL2442996,7.95
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3cccnc3)CC2)cc1,CHEMBL2442995,7.9
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccccn3)CC2)cc1,CHEMBL2442994,7.82
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2,CHEMBL3092759,7.745
+NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL3092753,7.91
+NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2,CHEMBL3092760,6.62
+NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2,CHEMBL3092758,6.73
+NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2,CHEMBL3092756,6.84
+NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12,CHEMBL3092755,7.38
+CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,CHEMBL294951,7.6
+CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1,CHEMBL3104093,6.71
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.685
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,7.0
+COc1ccc(CNC(=O)CCCCCN2CCN(c3cccnc3-c3ccncc3)CC2)cc1,CHEMBL3113604,7.19
+COc1ccc(CNC(=O)CCCCCN2CCN(c3ncccc3-c3ccncc3)CC2)cc1,CHEMBL3113603,7.58
+O=C(CCCCCN1CCN(c2cccnc2-c2ccncc2)CC1)NCc1ccc(F)nc1,CHEMBL3113602,7.18
+O=C(CCCCCN1CCN(c2ncccc2-c2ccncc2)CC1)NCc1ccc(F)nc1,CHEMBL3113601,7.15
+COc1ccc(CNC(=O)CCOCCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)cc1,CHEMBL3113600,7.34
+COc1ccc(CNC(=O)CCOCCN2CCN(c3ccccc3-c3ccccc3C)CC2)cc1,CHEMBL3113598,7.48
+O=C(CCOCCN1CCN(c2ccccc2-c2ccc(F)cc2)CC1)NCc1ccc(F)nc1,CHEMBL3113597,7.8
+COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(F)nc3)CC2)cc1,CHEMBL3113593,8.42
+COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccc(F)nc3)CC2)cc1,CHEMBL3113594,7.46
+Cc1ccccc1-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1,CHEMBL3113595,7.89
+c1ccc(N2CCN(Cc3cn(-c4ccccn4)c4ccccc34)CC2)cc1,CHEMBL3121430,6.72
+COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1,CHEMBL3121422,8.16
+c1ccc(-c2ccc(-n3cc(CN4CCN(c5ccccc5)CC4)c4ccccc43)cc2)cc1,CHEMBL3121418,5.72
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.1
+CSc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235726,6.79
+CSc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235727,6.82
+CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235728,6.31
+CSc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)CC1,CHEMBL3235729,6.25
+COc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235730,6.2
+COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3235731,5.92
+COc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)CC1,CHEMBL3235732,5.38
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2ccccc2O)CC1,CHEMBL3235733,5.73
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3235734,5.88
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2F)CC1,CHEMBL3235735,5.5
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3235736,6.32
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235737,5.93
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235738,6.95
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235739,6.75
+NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235740,6.97
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235741,7.3
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235742,7.0
+CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235743,7.29
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235744,7.11
+CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235745,6.95
+CSc1ccccc1N1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1,CHEMBL3235746,6.83
+COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235747,6.26
+COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235748,6.52
+COc1ccccc1N1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1,CHEMBL3235749,6.24
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2O)CC1,CHEMBL3235750,6.32
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL3235751,6.41
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3235752,6.14
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3235753,6.65
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235754,6.53
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235755,6.97
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3235756,7.02
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,CHEMBL3235757,5.92
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235758,7.74
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235759,7.66
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL3235760,7.55
+CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1916746,6.45
+COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL1916745,6.68
+COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL2079256,7.8
+CCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL3233401,7.02
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL3233402,7.11
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O,CHEMBL3233666,6.8
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1,CHEMBL3233667,7.47
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3233668,7.15
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1,CHEMBL3233669,7.14
+COc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1,CHEMBL3233670,6.91
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1,CHEMBL3233671,6.87
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233672,7.35
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233673,6.76
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233674,6.91
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233675,7.34
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3233676,7.51
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3233677,7.11
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3233678,6.34
+COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3233679,8.52
+CCCN(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262422,7.68
+Oc1cccc(N(CCCN2CCN(c3ccccc3)CC2)Cc2ccccc2)c1,CHEMBL3262424,7.03
+Oc1cccc(N(CCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1,CHEMBL3262423,7.05
+O=S(=O)(c1ccccc1)N(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262425,7.92
+Oc1cccc2c1CC(N1CCN(c3ccccc3)CC1)CC2,CHEMBL3262398,7.09
+CN(CCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262399,6.79
+Oc1cccc(NCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262404,6.6
+CN(CCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1,CHEMBL3262402,7.24
+Cc1cccc(N(C)CCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262412,7.07
+CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(Br)c1,CHEMBL3262415,6.79
+CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3262414,6.75
+CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(F)c1,CHEMBL3262413,6.95
+Oc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262411,8.0
+CN(CCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1,CHEMBL3262408,8.54
+CN(CCCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(O)c1,CHEMBL3262409,6.36
+CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262407,7.7
+CC(=O)Nc1cccc(N(C)CCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262416,6.79
+CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1,CHEMBL3262417,7.4
+NC(=O)c1cccc(NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262420,7.2
+COC(=O)c1cccc(NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262419,7.11
+OCc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262418,6.96
+O=Cc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262421,7.88
+CN(C(=O)CCCCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1,CHEMBL3262432,8.09
+CN(CCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262428,7.52
+CN(CCCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262429,7.78
+CN(CCCCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262430,7.92
+CN(CCCCCCN1CCC(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262431,6.65
+CN(CCCCCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1,CHEMBL3259846,7.4
+CN(CCCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(O)c1,CHEMBL3262433,7.02
+CCN(CCCCCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262435,6.72
+Oc1cccc(N(CCCCCCN2CCN(c3ccccc3)CC2)Cc2ccccc2)c1,CHEMBL3262436,6.86
+CN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262426,6.62
+CN(CCCN1CCC(N(c2ccccc2)c2ccccc2)CC1)c1cccc(O)c1,CHEMBL3262427,6.51
+Oc1cccc(CCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262406,7.4
+Oc1cccc(CCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL3262410,8.51
+Oc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc45)CC3)c2c1,CHEMBL3262393,7.94
+CCc1[nH]c2ccc(O)cc2c1CCN1CCN(c2cccc3ccccc23)CC1,CHEMBL3262395,8.18
+Cc1[nH]c2ccc(O)cc2c1CCN1CCN(c2cccc3ccccc23)CC1,CHEMBL3262394,7.89
+Oc1ccc2[nH]cc(CCN3CCN(c4ccccc4)CC3)c2c1,CHEMBL3262390,7.2
+CN(CCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1,CHEMBL3262401,6.48
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.47
+Cc1cccc(S(=O)(=O)NCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289708,8.42
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289709,8.77
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289944,8.8
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289945,7.7
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289946,8.16
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289947,8.02
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3286432,8.28
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289948,7.54
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289949,7.72
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289950,7.64
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289951,8.49
+O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289952,8.82
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289953,8.82
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289954,8.74
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289955,7.42
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289956,7.48
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289957,7.89
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289958,8.0
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289959,7.27
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289960,8.05
+Cc1c(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289961,7.6
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289962,8.34
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289963,8.2
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289964,8.39
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289965,8.7
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289966,8.47
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289967,8.0
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289968,8.96
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289969,7.47
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289970,9.15
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289971,8.0
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289972,10.0
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289973,6.42
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289974,6.57
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289975,7.03
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289976,7.17
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289977,6.92
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289978,9.1
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289979,5.6
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289980,8.17
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289981,6.82
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289982,6.74
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289983,6.05
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289984,8.29
+Cc1c(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289985,6.7
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289986,8.59
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289987,8.23
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289988,7.39
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289989,7.24
+Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289990,8.96
+Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289991,9.22
+Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289992,8.82
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289993,8.92
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289994,8.29
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289995,9.05
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289996,8.36
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289997,8.06
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289998,7.82
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3289999,9.05
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3290000,8.2
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290001,8.89
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290002,9.3
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290003,9.1
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290004,9.4
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290005,9.1
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290006,8.85
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290007,7.74
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290008,8.49
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290009,9.05
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290010,8.37
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290011,8.39
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.76
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290013,7.47
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290014,8.89
+Cc1c(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290015,8.0
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290016,9.7
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(Cl)cc12,CHEMBL3290017,9.15
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290018,8.49
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290019,7.85
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290020,8.89
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290021,7.89
+CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310123,8.37
+CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343663,8.92
+COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343665,8.85
+CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343666,9.22
+COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3343667,9.12
+NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2,CHEMBL3343668,8.31
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2,CHEMBL3343669,8.74
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2,CHEMBL3343670,8.77
+NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2,CHEMBL3343671,8.89
+NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2,CHEMBL3343672,8.48
+NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2,CHEMBL3343673,8.29
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361005,6.95
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL229181,7.27
+Cn1c(=O)c2c(ncn2CCCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361004,6.0
+Cn1c(=O)c2c(ncn2CCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361003,6.2
+Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361002,5.44
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361001,6.88
+COc1ccccc1N1CCN(CCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3361000,6.53
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360999,6.46
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O,CHEMBL3360998,6.75
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n(C)c1=O,CHEMBL3360997,7.14
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360996,6.32
+COc1ccccc1N1CCN(CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360995,6.36
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360994,5.94
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360993,5.55
+COc1ccccc1N1CCN(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360992,5.66
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360991,5.84
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2,CHEMBL3310109,7.39
+Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310111,7.85
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2,CHEMBL3310112,7.54
+CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310113,8.39
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2,CHEMBL3310114,6.8
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2,CHEMBL3310115,7.48
+Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2,CHEMBL3310116,7.06
+NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2,CHEMBL3310117,7.39
+COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O,CHEMBL3310118,7.3
+CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310119,6.74
+NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2,CHEMBL3310120,7.37
+N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2,CHEMBL3310121,7.24
+CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21,CHEMBL3310122,8.39
+Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O,CHEMBL3310713,8.4
+CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O,CHEMBL3310714,8.64
+OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL1940402,5.98
+OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL1940404,6.18
+OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL1940403,5.98
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,6.33
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,CHEMBL3321789,6.38
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,7.01
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,6.04
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,6.05
+O=C1Cc2ccccc2N1CC/C=C/CCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321798,8.57
+O=C1Cc2ccccc2N1CCCCCCCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321797,7.21
+O=C1Cc2ccccc2N1CCCCCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321796,7.39
+O=C1Cc2ccccc2N1CCCCN1CC[C@H]2CCCC[C@@H]2C1,CHEMBL3321795,7.54
+O=C1Cc2ccccc2N1CC/C=C/CCN1CCc2ccccc2C1,CHEMBL3321794,9.15
+O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1,CHEMBL3321793,7.44
+O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1,CHEMBL3321778,7.62
+O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1,CHEMBL3321777,7.55
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,7.8
+COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326992,7.33
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1,CHEMBL3326991,7.18
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1,CHEMBL3326990,7.32
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2C)CC1,CHEMBL3326989,7.58
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2c(OC)cccc2OC)CC1,CHEMBL3326988,7.49
+COc1ccc(-c2ccccc2CNC(=O)CCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL3326987,7.36
+COc1cccc(-c2ccccc2CNC(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL3326986,7.66
+COc1ccccc1-c1ccccc1CNC(=O)CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL3326985,7.5
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1,CHEMBL3326984,7.59
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(Cl)c2)CC1,CHEMBL3326983,6.39
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,8.06
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1,CHEMBL3326981,7.46
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1,CHEMBL3326980,7.46
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2F)CC1,CHEMBL3326979,7.44
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2)CC1,CHEMBL3326978,7.36
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2)CC1,CHEMBL3325464,7.42
+COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1,CHEMBL3326977,7.19
+COc1ccccc1N1CCN(CCC(=O)NCc2ccccc2-c2ccccc2)CC1,CHEMBL3326976,6.73
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222864,8.05
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL8618,9.22
+COc1ccccc1N1CCN(CCCCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331391,8.07
+COc1ccccc1N1CCN(CCCCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331390,8.11
+O=c1sc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331389,8.12
+O=c1oc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331388,7.34
+COc1ccccc1N1CCN(CCCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331387,8.54
+COc1ccccc1N1CCN(CCCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331386,7.93
+O=c1sc2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331385,8.53
+O=c1oc2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331384,7.85
+COc1ccccc1N1CCN(CCCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331383,8.29
+COc1ccccc1N1CCN(CCCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331382,8.23
+O=c1sc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331264,7.7
+O=c1oc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3331263,7.24
+O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1,CHEMBL3331262,8.55
+O=c1sc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3331261,8.76
+O=c1sc2ccccc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3331260,7.33
+O=c1sc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1,CHEMBL3331259,7.38
+Cc1ccccc1N1CCN(CCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331258,9.0
+COc1ccccc1N1CCN(CCCCn2c(=O)sc3ccccc32)CC1,CHEMBL3331257,8.11
+COc1ccccc1N1CCN(CCCCn2c(=O)oc3ccccc32)CC1,CHEMBL3331256,7.99
+O=c1sc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3331255,7.44
+O=c1oc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3331254,7.58
+O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(Br)s1,CHEMBL3403330,4.9
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1,CHEMBL1319488,5.33
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1,CHEMBL1576791,4.6
+O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CHEMBL2011865,4.74
+Cc1ccc(S(=O)(=O)c2nc(N3CCc4ccccc4C3)sc2Cl)cc1,CHEMBL3403331,5.2
+O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1,CHEMBL3403332,4.7
+O=S(=O)(c1ccc(F)cc1)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12,CHEMBL3403333,4.8
+Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12,CHEMBL3403334,4.89
+O=S(=O)(c1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12,CHEMBL3403335,5.83
+Brc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)C3CCC1,CHEMBL3403336,4.91
+Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccc(Cl)cc32)cc1,CHEMBL3403337,5.38
+O=S(=O)(Nc1ccccc1-c1nccc2ccccc12)c1ccc(Cl)cc1,CHEMBL3403338,4.75
+O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2F)c2ccccc21,CHEMBL1323386,5.28
+O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1,CHEMBL3403339,4.58
+COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1,CHEMBL3403340,4.57
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,CHEMBL1580288,4.8
+Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1,CHEMBL3403341,5.02
+NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1,CHEMBL3403342,5.46
+Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2SCc2ccc(Cl)cc2)cc1,CHEMBL3403343,4.9
+COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N,CHEMBL3403344,4.88
+Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12,CHEMBL3403345,4.67
+NC(=O)c1ccccc1NC(=O)CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3401469,6.77
+Cc1sc2[nH]c(CCCCN3CCN(c4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401470,6.45
+Cc1sc2[nH]c(CCCCCN3CCN(c4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401473,7.52
+Cc1cc2c(=O)nc(CCCCCN3CCN(Cc4ccccc4)CC3)[nH]c2s1,CHEMBL3401474,6.83
+Cc1sc2[nH]c(CCCCCN3CCC(Cc4ccccc4)CC3)nc(=O)c2c1C,CHEMBL3401475,6.73
+Cc1sc2[nH]c(CCCCCN3CCN(c4cccc(Cl)c4)CC3)nc(=O)c2c1C,CHEMBL3401476,7.16
+Cc1sc2[nH]c(CCCCCN3CCN(c4ccc(Cl)cc4)CC3)nc(=O)c2c1C,CHEMBL3401477,5.83
+O=c1nc(CCCCN2CCN(c3ccccc3)CC2)[nH]c2ccccc12,CHEMBL3401478,6.84
+O=c1nc(CCCCN2CCN(c3cccc(Cl)c3)CC2)[nH]c2ccccc12,CHEMBL3401479,7.67
+O=c1nc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccccc12,CHEMBL3401480,5.95
+O=c1nc(CCCCCN2CCN(c3ccccc3)CC2)[nH]c2ccccc12,CHEMBL3401481,6.64
+O=c1nc(CCCCCN2CCN(c3cccc(Cl)c3)CC2)[nH]c2ccccc12,CHEMBL3401482,7.92
+O=c1nc(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccccc12,CHEMBL3401483,7.0
+O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL574827,6.3
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3401484,6.51
+O=c1c2ccccc2ncn1CCCCCN1CCN(Cc2ccccc2)CC1,CHEMBL3401485,5.97
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3401486,7.45
+O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3401487,7.89
+CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1,CHEMBL3401488,8.16
+Cc1sc2ncn(CCCCCN3CCN(c4ccccc4)CC3)c(=O)c2c1C,CHEMBL3401489,6.84
+Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C,CHEMBL3401490,5.78
+Cc1sc2ncn(CCCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1C,CHEMBL3401491,7.05
+Cc1sc2ncn(CCCCCN3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2c1C,CHEMBL3401492,6.67
+CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1,CHEMBL3401493,8.52
+N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,CHEMBL350221,8.67
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409049,8.05
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409048,7.92
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409047,8.05
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409046,8.05
+O=C([C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409045,8.0
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409044,7.66
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409043,7.4
+O=C([C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCOCC1,CHEMBL3409042,7.52
+O=C([C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409041,7.82
+O=C([C@@H]1CCCN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409040,7.8
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)CC1,CHEMBL3409038,6.87
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409037,7.11
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3407516,7.96
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409036,8.0
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3409034,7.37
+CC(C)c1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3409033,7.52
+NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409032,7.74
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1,CHEMBL3409031,6.94
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,6.74
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423329,6.64
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423330,6.29
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccccc2O)CC1,CHEMBL3423331,6.91
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423332,7.52
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423333,7.37
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)ccn23)n(C)c1=O,CHEMBL3423334,5.44
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423335,6.44
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423336,6.16
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423337,7.43
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423338,6.91
+Cc1cccc(N2CCN(CCCCn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)c1C,CHEMBL3423339,6.42
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3423340,6.95
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccccc5O)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423377,6.33
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423378,7.21
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5O)CC4)ccn23)n(C)c1=O,CHEMBL3423328,5.87
+COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581256,7.27
+COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581255,7.64
+C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581254,7.7
+COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581253,7.3
+COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581252,7.66
+CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581251,7.42
+CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581250,7.62
+CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581249,7.47
+COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581248,7.55
+COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL3581247,7.28
+CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581246,7.24
+CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3580670,7.62
+CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581245,7.82
+CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL3581244,7.16
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL228082,7.37
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL464099,7.7
+Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C,CHEMBL365751,6.54
+COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,CHEMBL3735756,6.15
+CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1,CHEMBL3740624,6.7
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1,CHEMBL3741279,7.38
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3740054,8.05
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL3742251,8.1
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1,CHEMBL3741657,7.55
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1,CHEMBL3740235,8.1
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1,CHEMBL3742257,7.62
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3739745,7.72
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1,CHEMBL3739561,7.68
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3ncccc23)CC1,CHEMBL3739680,8.15
+CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3740209,7.36
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccccc1,CHEMBL3740691,7.31
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL3740913,8.15
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(F)c1,CHEMBL3740302,7.44
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3740055,8.22
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cc(F)ccc1F,CHEMBL3740801,8.15
+Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3741281,7.72
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cncc2ccccc12,CHEMBL3741445,8.05
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc2ncccc12,CHEMBL3739582,8.1
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1,CHEMBL3747052,8.05
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747114,7.74
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747071,7.89
+CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3747459,8.0
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746806,7.15
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1,CHEMBL3745975,7.17
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3746079,7.24
+CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3746771,7.24
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1,CHEMBL3746713,7.0
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1,CHEMBL3745815,8.3
+CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1,CHEMBL3747003,8.15
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3747148,7.25
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3747744,7.55
+CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3745882,7.25
+CC(C)(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3746083,7.28
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3746493,7.31
+O=S(=O)(c1ccc(F)cc1)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3745853,7.74
+Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,CHEMBL3747240,8.0
+C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,CHEMBL3754496,6.4
+C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,CHEMBL3752900,7.13
+C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,CHEMBL3754166,7.31
+C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,CHEMBL3753318,6.81
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(F)c1,CHEMBL3758591,7.72
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(F)c2)C3)c1,CHEMBL3759617,8.7
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,CHEMBL3759205,9.0
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1,CHEMBL3759819,7.85
+O=S(=O)(c1ccc(F)cc1)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1,CHEMBL3758619,6.53
+O=S(=O)(c1cccc(Cl)c1)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1,CHEMBL3759885,6.5
+CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1ccc(F)cc1,CHEMBL3759927,6.79
+CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1cccc(Cl)c1,CHEMBL3759570,6.77
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1,CHEMBL3758378,7.28
+Nc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1,CHEMBL3759948,7.59
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccnc2)CC1,CHEMBL3758466,7.14
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1,CHEMBL3759161,7.41
+O=C(Nc1cccc(Cl)c1)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1,CHEMBL3759437,6.7
+CC(C)c1ccccc1OCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1,CHEMBL3758814,6.7
+CC(C)c1ccccc1OCCN1CCC(NC(=O)Nc2cccc(Cl)c2)CC1,CHEMBL3758684,6.58
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3759593,6.71
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc(F)cc2)CC1,CHEMBL3759273,6.55
+Cn1cc(S(=O)(=O)NC2CC3CCC(C2)N3CCOc2cccc(-c3ccccc3)c2)cn1,CHEMBL3758488,7.3
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1,CHEMBL3758569,7.7
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1ccc(F)cc1,CHEMBL3759342,7.85
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(F)c1,CHEMBL3759281,7.92
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cnn(C)c2)C3)c1,CHEMBL3760010,7.15
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cc(F)ccc2F)C3)c1,CHEMBL3759233,8.4
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)c(F)c2)C3)c1,CHEMBL3759262,8.05
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(Cl)c2)C3)c1,CHEMBL3758286,8.4
+Cn1cc(S(=O)(=O)NC2CN(CCOc3ccccc3-c3ccccc3)C2)cn1,CHEMBL3759558,7.4
+O=S(=O)(NC1CN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(Cl)c1,CHEMBL3759581,7.7
+CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3758978,8.15
+CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2cccc(F)c2)C1,CHEMBL3759577,7.85
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1ccc(F)cc1,CHEMBL3758622,7.8
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(Cl)c1,CHEMBL3760017,7.77
+Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3C(C)(C)C)CC2)cn1,CHEMBL3747117,7.08
+CC(C)(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759925,7.27
+CC(C)(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL3759298,7.13
+CC(C)c1cccc(C(C)C)c1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759170,5.72
+CC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759651,7.57
+COc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3759120,6.46
+Cc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL3760121,6.79
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1,CHEMBL3759874,6.07
+O=C(CCCCN1CCCC1)n1c2ccccc2c2ccccc21,CHEMBL3763670,5.67
+O=C(CCCCCN1CCCC1)n1c2ccccc2c2ccccc21,CHEMBL3763534,5.98
+CC1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764661,6.23
+CC1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764178,6.44
+CC1CCCN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1,CHEMBL3764970,6.075
+CC1CCCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)C1,CHEMBL3764136,6.26
+CC1CC(C)CN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1,CHEMBL3764307,5.85
+CC1CC(C)CN(CCCCCC(=O)n2c3ccccc3c3ccccc32)C1,CHEMBL3763858,6.08
+O=C(CCCCN1CCC(c2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3763582,6.82
+O=C(CCCCCN1CCC(c2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3765511,6.8
+O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3763275,6.51
+O=C(CCCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3763329,6.6
+O=C(CCCCN1CCCCCC1)n1c2ccccc2c2ccccc21,CHEMBL3764477,6.02
+O=C(CCCCCN1CCCCCC1)n1c2ccccc2c2ccccc21,CHEMBL3764364,6.21
+O=C(CCCCCN1CCOCC1)n1c2ccccc2c2ccccc21,CHEMBL3763567,5.88
+CN1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764934,5.72
+CC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763504,5.97
+CC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764889,5.63
+COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3763779,7.52
+COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1,CHEMBL3764650,7.13
+CN(CCCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1,CHEMBL3765794,6.22
+CN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1,CHEMBL3763883,6.29
+CCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc21,CHEMBL3765223,6.17
+CCCCN(C)CCCCC(=O)n1c2ccccc2c2ccccc21,CHEMBL3765208,5.89
+O=C(CCCCCN1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3763677,6.9
+O=C(CCCCN1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764418,6.55
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,7.067
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,7.42
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,5.68
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,6.33
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,6.29
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,6.4
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,6.37
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,5.94
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CHEMBL3771222,7.1
+Cc1ccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)cc1C,CHEMBL3770110,6.75
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL3770581,6.85
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1=O,CHEMBL3769536,5.92
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(Cl)cc3)CC2)C1=O,CHEMBL3770522,6.04
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccc(F)cc3)CC2)C1=O,CHEMBL3770293,6.08
+Cc1ccc(C)c(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769612,7.25
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)C1=O,CHEMBL3771309,7.77
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3C#N)CC2)C1=O,CHEMBL3770639,7.85
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3769534,8.0
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O,CHEMBL3769606,7.33
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C1=O,CHEMBL3770473,6.63
+COc1cccc(N2CCN(CC(O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)CC2)c1,CHEMBL3769441,7.05
+CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C1=O,CHEMBL3769836,6.65
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,CHEMBL3819567,6.2
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,CHEMBL3818124,5.8
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,CHEMBL3818935,5.81
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,CHEMBL3818398,6.54
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,CHEMBL3819153,6.5
+O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL3818805,6.95
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,CHEMBL3818799,6.105
+O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,CHEMBL3819403,6.275
+OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1,CHEMBL3819642,6.72
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1,CHEMBL3819434,6.0
+O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1,CHEMBL3818881,7.1
+O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccccc2C1,CHEMBL273241,8.07
+O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,CHEMBL3817911,6.48
+c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,CHEMBL3819494,7.285
+Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2,CHEMBL3819082,7.07
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,7.57
+Fc1ccc(OCCCN2CCc3ccccc3C2)cc1,CHEMBL3819366,7.0
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,7.31
+O=S(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818710,7.645
+O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,CHEMBL3818994,6.44
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.45
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.12
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,7.915
+COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3817898,7.77
+O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1,CHEMBL3818056,7.995
+O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,CHEMBL3818047,8.445
diff --git a/chembl_200/CHEMBL318.csv b/chembl_200/CHEMBL318.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7e9b093fb629a793f5647598ba4002ffac04fca0
--- /dev/null
+++ b/chembl_200/CHEMBL318.csv
@@ -0,0 +1,2231 @@
+CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL60962,9.13
+O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,CHEMBL440115,9.31
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc21,CHEMBL281633,4.36
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113396,7.29
+Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL115824,6.94
+CC(Cc1ccccc1)Nc1ccnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL606016,8.11
+CC(Cc1ccccc1)Nc1cc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL605008,7.74
+COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL1093910,8.64
+Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL605042,8.6
+COc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL11439,8.06
+Cc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL268026,9.29
+Cc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL10937,8.44
+Cn1c(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2n(C)c1=O,CHEMBL269218,9.19
+Cn1c(=O)c2[nH]c(-c3cccc(F)c3)nc2n(C)c1=O,CHEMBL11220,8.62
+CCCn1c(=O)c2[nH]c(CC3CCCCC3)nc2n(CCC)c1=O,CHEMBL160704,7.41
+CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL156622,6.05
+Cn1c(=O)c2[nH]c(-c3ccc(F)cc3)nc2n(C)c1=O,CHEMBL273267,8.74
+Cc1cccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL269633,8.27
+Cn1c(=O)c2[nH]c(-c3ccccc3F)nc2n(C)c1=O,CHEMBL275329,8.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)nc2n(CCC)c1=O,CHEMBL347687,8.095
+COc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL429032,6.72
+COc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL11635,9.2
+COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1,CHEMBL148826,5.47
+O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,CHEMBL283196,6.1
+COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)cc1,CHEMBL356036,5.97
+CCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL76128,4.4
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.61
+COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,CHEMBL293776,5.79
+COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,CHEMBL75772,6.29
+COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)c(OC)c1,CHEMBL75169,4.56
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL28,5.52
+CCCOc1cc(OCCC)c2c(=O)c(OCCC)c(-c3ccccc3)oc2c1,CHEMBL76273,5.96
+O=C1CC(c2ccccc2O)Oc2ccccc21,CHEMBL75897,5.58
+COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC,CHEMBL348436,5.92
+CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccccc3)oc2c1,CHEMBL449090,5.72
+COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,CHEMBL76933,5.14
+COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O,CHEMBL74852,5.09
+O=c1cc(-c2ccccc2)oc2cccc(O)c12,CHEMBL16807,5.66
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.52
+CCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL76874,4.45
+COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1OC,CHEMBL345778,4.73
+CCOc1ccc(-c2oc3cc(OCC)cc(OCC)c3c(=O)c2OCC)c(OCC)c1,CHEMBL74505,4.49
+O=C1c2ccccc2OC(c2ccccc2O)C1O,CHEMBL75002,4.04
+CCOc1cc(OCC)c2c(=O)c(OCC)c(-c3ccccc3)oc2c1,CHEMBL72862,6.22
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.48
+COc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12,CHEMBL75590,4.49
+CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccccc3)oc2c1,CHEMBL149938,4.94
+O=C1CC(c2ccc(O)cc2)Oc2ccccc21,CHEMBL73933,4.94
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(NC(=S)Nc5ccc(N=C=S)cc5)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9201,7.6
+NC1=Nc2c(ncn2C2O[C@@H](CO)[C@H](O)[C@@H]2O)C2=N[C@@H](c3ccccc3)CN12,CHEMBL609646,6.21
+NC1=Nc2c(ncn2C2O[C@@H](CO)[C@H](O)[C@@H]2O)C2=N[C@H](c3ccccc3)CN12,CHEMBL609645,5.99
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1cccc(N=C=S)c1,CHEMBL604152,9.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(Cc2ccc(N)c(I)c2)c1=O,CHEMBL355370,7.43
+Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,CHEMBL449329,4.63
+Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL49935,5.2
+Cc1ccc(C)c(Cn2cc(CC(C)Nc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)c1,CHEMBL609555,6.74
+Cc1ccc(C)c(Cn2cc(C(C)CNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)c1,CHEMBL2113591,6.7
+Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(N)=O)[C@@H](O)[C@H]3O)c3ccccc32)c1,CHEMBL2113603,6.29
+Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3cc(C)ccc32)c1,CHEMBL2113596,7.21
+C=CCn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL611000,7.41
+Cc1ccc(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)cc1,CHEMBL610717,6.89
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4c[nH]c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113598,8.1
+CN(C)c1ccccc1Cn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL608962,6.77
+OC[C@H]1OC(n2cnc3c(NCCc4cn(Cc5ccccc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611600,7.3
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608964,7.3
+Cc1c(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc2n1C1CCCC1,CHEMBL2113590,6.05
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5cccnc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113586,7.59
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5cc(C)ccc5C)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113583,5.85
+COCCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113579,6.05
+COc1ccccc1Cn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL610724,6.77
+Cn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL610442,7.85
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4cn(Cc5ccccc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611311,7.85
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(C5CCCC5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113585,6.96
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4cn(CC5CC5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610155,8.15
+OC[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113584,7.96
+CC(C)n1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL2113597,6.92
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCc4cn(Cc5cc(C)ccc5C)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609554,6.8
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Cl)c(Cl)c5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608369,6.85
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4cn(CCN5CCCCC5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609252,8.08
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5cccc6ccccc56)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113594,6.43
+Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)c1,CHEMBL611598,6.85
+Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3cc(Cl)ccc32)c1,CHEMBL2113589,6.82
+O=C(NC1CC1)[C@H]1OC(N2C=NC3C(=NCCc4cn(Cc5ccccn5)c5ccccc45)NC=NC32)[C@H](O)[C@@H]1O,CHEMBL607875,7.41
+COCCn1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21,CHEMBL2113599,7.64
+Cc1ccc(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)cc1C,CHEMBL611599,6.8
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(Cc5cccc([N+](=O)[O-])c5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113587,7.54
+O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c(NCCc4cn(CCN5CCCC5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113573,8.12
+Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1C,CHEMBL59532,4.96
+CCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113439,6.105
+CNc1ncnc2c1nc(NC1CCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113462,5.025
+CCCCNc1nc2c(NC3CCCC3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL605687,6.125
+CCCCNc1ncnc2c1nc(NC1CCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113448,6.095
+CCCNc1ncnc2c1nc(NC1CCCC1)n2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL604232,5.775
+CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113438,6.22
+OC[C@H]1O[C@@H](n2c(NC3CCCC3)nc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113440,5.925
+CCn1c(=O)c2[nH]cnc2n(CC)c1=O,CHEMBL416013,5.462999999999999
+O=c1c2[nH]cnc2n(Cc2ccccc2)c(=O)n1Cc1ccccc1,CHEMBL24774,5.7
+Cn1c(=O)c2[nH]c(-c3ccccc3N)nc2n(C)c1=O,CHEMBL11120,6.07
+Cn1c(=O)c2[nH]c(-c3ccc(N)cc3)nc2n(C)c1=O,CHEMBL276830,6.64
+Cc1nn(C)c2c(=O)nc(-c3ccc(Cl)cc3N)[nH]c12,CHEMBL301814,6.51
+CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL78636,6.64
+Cn1c(=O)c2[nH]c(-c3cccc(N)c3)nc2n(C)c1=O,CHEMBL11033,5.96
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL418333,6.702000000000001
+CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC)c1=O,CHEMBL11348,7.3
+CCc1nnc2c(NC(C)C)nc3ccccc3n12,CHEMBL6958,6.62
+Oc1cccc(C2=CSC3=Nc4ccccc4CN23)c1,CHEMBL72577,5.51
+CCN(CC)c1nc2ccccc2n2cnnc12,CHEMBL7033,5.05
+CC(C)Nc1nc2ccccc2n2cnnc12,CHEMBL269318,5.64
+Nc1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12,CHEMBL303198,6.57
+CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL275084,5.244
+NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL605866,7.14
+Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1256672,6.234
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285819,8.075
+Nc1nc(NCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL87459,4.92
+O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL414023,5.4
+O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O,CHEMBL292917,8.18
+CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL277041,6.707000000000001
+CO/C(=C\c1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL72613,5.255
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL139835,9.005
+CCn1c(=O)c2c(nc(/C=C/c3cc(OC)c(OC)c(OC)c3)n2C)n(CC)c1=O,CHEMBL422399,5.55
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CC,CHEMBL111086,5.11
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL111545,4.81
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C,CHEMBL325983,5.13
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL315984,5.23
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CC,CHEMBL321845,7.39
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL89852,4.4
+CCCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCCC)c1CC,CHEMBL108705,4.38
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc([N+](=O)[O-])cc1,CHEMBL315168,4.64
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccc(N)cc1,CHEMBL419306,4.51
+CCCn1c(=O)c2c(nc(/C=C/c3cc(OC)cc(OC)c3)n2C)n(CCC)c1=O,CHEMBL27215,5.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4cccc(N=C=S)c4)cc3)nc2n(CCC)c1=O,CHEMBL268364,8.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(N=C=S)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275635,8.18
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(N=C=S)cc1,CHEMBL604356,9.33
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNS(=O)(=O)c4cccc(S(=O)(=O)Cl)c4)cc3)nc2n(CCC)c1=O,CHEMBL9180,8.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CBr)cc3)nc2n(CCC)c1=O,CHEMBL9542,7.75
+O=C(Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)ON1C(=O)CCC1=O,CHEMBL603923,8.08
+O=C(CBr)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL604357,8.08
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc4ccc(N=C=S)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275232,8.16
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCSSc4ccccn4)cc3)nc2n(CCC)c1=O,CHEMBL9239,7.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL8969,8.43
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL9723,7.26
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCN4C(=O)C=CC4=O)cc3)nc2n(CCC)c1=O,CHEMBL269782,7.42
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)c4ccc(CBr)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9725,7.94
+O=C(Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1,CHEMBL603929,8.02
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CNC(=O)CCCN4C(=O)C=CC4=O)cc3)nc2n(CCC)c1=O,CHEMBL9621,7.63
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL9335,7.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL262060,7.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCC=O)cc3)nc2n(CCC)c1=O,CHEMBL266161,6.58
+COc1ccc2oc(C#Cc3ccccc3)c(O)c(=O)c2c1,CHEMBL74328,4.3
+CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL423239,6.735
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3O)nc2n(CCC)c1=O,CHEMBL156178,6.12
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL279898,4.28
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)nc(Cl)nc32)C[C@@H]1O,CHEMBL1790714,6.015
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)nc(Cl)nc32)C[C@@H]1O,CHEMBL1790716,6.195
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O,CHEMBL273094,8.921
+CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC,CHEMBL100003,5.09
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1C(F)(F)F,CHEMBL39632,5.18
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC,CHEMBL99744,5.12
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CHEMBL475534,5.05
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C,CHEMBL103643,4.31
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F,CHEMBL105672,6.11
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F,CHEMBL283013,5.18
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(c1)OCO2,CHEMBL101332,5.44
+COc1ccc(C2C=CN=CC2)cc1,CHEMBL102613,4.35
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(O)c(OC)c1,CHEMBL103419,4.29
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1ccccc1,CHEMBL2112411,4.79
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,CHEMBL1484,4.71
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)cc1,CHEMBL103787,5.56
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1C,CHEMBL100646,5.19
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C,CHEMBL100004,5.19
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1,CHEMBL2063640,4.96
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1,CHEMBL1099207,5.48
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CCc1ccccc1,CHEMBL102138,5.06
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,CHEMBL2051956,4.38
+CCCCC1=C(C(=O)OCC)C(C)C(C(=O)OCC)=C(C)N1,CHEMBL103950,4.97
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C#Cc1ccccc1,CHEMBL2112340,5.27
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,CHEMBL1428,4.7
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)CCC=C(C)C,CHEMBL101162,5.04
+Nc1nc(C#CC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL609493,6.86
+Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL375190,6.15
+CCCCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608299,7.96
+Nc1nc(C#CC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113504,7.06
+Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092941,8.47
+CC(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113506,7.82
+Nc1nc(C#CCCC2CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610362,6.87
+CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608594,7.8
+Nc1nc(C#CCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113500,6.4
+Nc1nc(C#CC2(O)CCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113501,7.57
+Nc1nc(C#CCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610651,6.68
+Nc1nc(C#CC2(O)CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608899,7.96
+Nc1nc(C#CC2(O)CCCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113498,7.25
+Nc1nc(C#CC2(O)CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113497,7.68
+CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113505,7.49
+Nc1nc(C#CCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113499,6.79
+Nc1nc(C#CCO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113503,8.04
+Nc1nc(C#CCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608298,6.5
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+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CCC)c1=O,CHEMBL342188,6.99
+C#CCn1c(=O)c2c(nc(/C=C/c3ccsc3)n2C)n(C)c1=O,CHEMBL334873,6.12
+COc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1OC,CHEMBL280982,4.913
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,CHEMBL137471,5.745
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(Cc2ccccc2)c1=O,CHEMBL136364,5.64
+C#CCn1c(=O)c2c(nc(/C=C/c3ccc4c(c3)OCO4)n2C)n(C)c1=O,CHEMBL342229,5.82
+CCCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,CHEMBL138950,6.27
+Cn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL21053,4.765
+C#CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2CC(C)C,CHEMBL139013,5.55
+C#CCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL136836,5.765
+C#CCn1c(=O)c2c(nc(-c3cccs3)n2C)n(C)c1=O,CHEMBL422110,6.02
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2CC#C)n(C)c1=O,CHEMBL343395,6.7
+C#CCn1c(=O)c2c(nc(/C=C/c3ccco3)n2C)n(C)c1=O,CHEMBL345060,5.72
+C=CCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL137508,5.04
+C#CCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(CC(C)C)c1=O,CHEMBL138833,7.08
+C#CCn1c(=O)[nH]c2nc(-c3cccs3)[nH]c2c1=O,CHEMBL337373,6.83
+C#CCn1c(=O)c2[nH]c(/C=C/c3ccc4c(c3)OCO4)nc2n(C)c1=O,CHEMBL343527,6.08
+C#CCn1c(=O)[nH]c2nc(/C=C/c3ccccc3)[nH]c2c1=O,CHEMBL344678,5.785
+C#CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(C)c1=O,CHEMBL136394,5.6
+C#CCn1c(=O)c2c(nc(/C=C/c3cccs3)n2C)n(C)c1=O,CHEMBL344026,5.39
+C#CCn1c(=O)c2[nH]cnc2n(Cc2ccccc2)c1=O,CHEMBL137944,6.07
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(C)c1=O,CHEMBL136047,5.92
+CC(C)Cn1c(=O)n(C)c(=O)c2c1nc(-c1ccccc1)n2C,CHEMBL342193,5.36
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(CC(C)C)c1=O,CHEMBL137199,6.62
+C#CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL115940,5.303
+C#CCn1c(=O)c2c(nc(C3CCCCC3)n2C)n(C)c1=O,CHEMBL136199,5.55
+C#CCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(C)c1=O,CHEMBL137438,6.6
+Cn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL26897,5.41
+Nc1ncnc2c1ncn2C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O,CHEMBL610150,6.15
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113601,5.9
+CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113600,6.41
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113605,5.66
+CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL2113593,5.98
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL417292,7.16
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27376,7.08
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL284216,8.06
+CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27443,7.5
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL27952,8.3
+CNc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL27009,5.83
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O,CHEMBL280580,7.28
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)C[C@@H]2O,CHEMBL27593,5.44
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)C[C@@H]2O,CHEMBL27502,5.29
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL27809,6.85
+Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL287321,5.77
+CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL286739,6.05
+OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C[C@@H]2O,CHEMBL28057,5.06
+Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12,CHEMBL26759,6.56
+CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL283057,6.09
+C=CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC,CHEMBL284860,5.72
+Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O,CHEMBL23903,4.96
+Cn1c(=O)c2[nH]cnc2n(CCO)c1=O,CHEMBL26061,4.22
+CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL25373,4.4
+Cn1c(=O)n(CCO)c(=O)c2[nH]cnc21,CHEMBL25303,4.07
+C=CCn1c(=O)c2[nH]cnc2n(CC=C)c1=O,CHEMBL286785,5.0
+CCCn1c(=O)c2c(ncn2CCC)n(CCC)c1=O,CHEMBL417834,5.59
+CCCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL26455,4.68
+C#CCn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C,CHEMBL24444,5.51
+C#CCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL24049,4.92
+C=CCn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL24289,4.48
+C=CCn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C,CHEMBL24445,4.89
+CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2C,CHEMBL25096,4.72
+Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O,CHEMBL24759,5.22
+CCCn1c(=O)n(C)c(=O)c2c1ncn2C,CHEMBL417654,4.62
+CCCn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C,CHEMBL26176,4.89
+CCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL24107,4.75
+C=CCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL25427,4.33
+CCCn1c(=O)c2c(ncn2Cc2ccccc2)n(CCC)c1=O,CHEMBL418193,6.0
+CCCn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL286680,4.42
+C#CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC,CHEMBL25223,6.22
+CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1,CHEMBL26606,5.105
+CC(C)n1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL26119,4.92
+C=CCn1c(=O)c2c(ncn2C)n(CC=C)c1=O,CHEMBL26406,4.74
+NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL79201,6.37
+CCCSc1nc(SC(CC)C(N)=O)nc2c1cnn2-c1ccccc1,CHEMBL122876,7.53
+CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL310796,7.92
+C#C[C@H](O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606438,7.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374468,5.9
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(Cl)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL57706,5.82
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374466,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2042298,6.33
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374464,5.07
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374469,5.31
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N(C)CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374463,4.92
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(OCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL60860,5.37
+Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,CHEMBL2374465,6.3
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2374467,5.27
+N#[N+][N-][C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112633,5.01
+O=C(Cc1ccccc1)N[C@H]1C(CO)OC(n2cnc3c(NC4CCCC4)ncnc32)C1O,CHEMBL121997,6.09
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc(Cl)cc1,CHEMBL2112627,7.025
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc([N+](=O)[O-])cc1,CHEMBL2112631,6.11
+O=C(CCCC1CCCCC1)N[C@H]1C(CO)OC(n2cnc3c(NC4CCCC4)ncnc32)C1O,CHEMBL338399,6.77
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)CCOc2ccccc2)[C@H]1O,CHEMBL2112623,4.835
+Nc1ncnc2c1ncn2C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O,CHEMBL122345,5.175
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccccc1,CHEMBL2112620,6.455
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O,CHEMBL2112622,5.505
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O,CHEMBL2112612,4.955
+Cc1ccc(C(=O)N[C@H]2C(CO)OC(n3cnc4c(NC5CCCC5)ncnc43)C2O)cc1,CHEMBL122746,7.125
+O=C(CCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112625,6.445
+O=C(CCCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112626,6.945
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,CHEMBL305686,4.985
+O=C(CCCCc1ccccc1)N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2112632,6.66
+COc1ccc(C(=O)N[C@H]2C(CO)OC(n3cnc4c(NC5CCCC5)ncnc43)C2O)cc1,CHEMBL340299,6.795
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc(Cl)c(Cl)c1,CHEMBL2112630,7.56
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)CC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113409,7.69
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL2113410,7.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(OCC)OCC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113485,6.18
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCC(C)O)nc32)[C@H](O)[C@@H]1O,CHEMBL2113408,7.16
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(C)(O)CC(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113405,8.52
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCC#N)nc32)[C@H](O)[C@@H]1O,CHEMBL2113402,6.74
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCOC4CCCCO4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113419,6.57
+C=C(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113417,6.78
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCCl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113412,7.42
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC4=CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113416,5.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL2113414,7.33
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113404,8.4
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCN(C)C)nc32)[C@H](O)[C@@H]1O,CHEMBL2113482,7.55
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL2113413,7.0
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCN)nc32)[C@H](O)[C@@H]1O,CHEMBL2113403,7.31
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(C)(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113399,7.49
+C#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113449,7.45
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCO)nc32)[C@H](O)[C@@H]1O,CHEMBL2113483,7.85
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2094083,8.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCCO)nc32)[C@H](O)[C@@H]1O,CHEMBL2113407,7.38
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113411,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC4(N)CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113486,6.4
+O=S(=O)(O)c1ccc(CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL2113574,6.36
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(N)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9493,7.4
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCN=C=S,CHEMBL603400,8.35
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(NC(=O)OC(C)(C)C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9437,7.28
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL266522,8.14
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNS(=O)(=O)c4ccc(C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL416881,7.14
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(S(=O)(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL162392,6.44
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(Br)cc1,CHEMBL604353,8.92
+Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1,CHEMBL603937,8.43
+NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL1512545,9.025
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(F)cc1,CHEMBL603931,8.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9289,7.81
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc([N+](=O)[O-])cc1,CHEMBL605179,8.71
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL9095,7.8
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccccc1F,CHEMBL603938,8.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9717,7.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9695,7.48
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9574,7.8
+O=S(=O)(O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL2364548,7.053
+OC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113484,7.78
+OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113406,7.96
+CCNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL604406,7.31
+O=S(=O)(O)CCCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113577,6.15
+O=S(=O)(O)c1ccc(CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL2113576,6.21
+C[C@H](N)Cc1ccc(I)cc1,CHEMBL1788287,5.74
+CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610099,8.03
+O=S(=O)(O)CCNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610435,7.39
+C[C@@H](N)Cc1ccc(I)cc1,CHEMBL2092973,8.92
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4c(F)c(F)c(F)c(F)c4F)cc3)nc2n(CCC)c1=O,CHEMBL9720,8.04
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL605171,8.79
+N#Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1,CHEMBL605170,8.58
+COc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1,CHEMBL603402,8.07
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(S(=O)(=O)O)cc1,CHEMBL604555,7.29
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CCC2)[nH]1,CHEMBL608445,7.26
+OC[C@H]1OC(n2cnc3c(NC4CCCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL607881,7.7
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CCCCCC2)[nH]1,CHEMBL607606,7.15
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CCC3CCCCC3C2)[nH]1,CHEMBL608748,4.52
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CCCC2)[nH]1,CHEMBL608168,7.72
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CCCCC2)[nH]1,CHEMBL608747,7.4
+O=c1nc2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC2CC3CCC2C3)[nH]1,CHEMBL608742,7.46
+Nc1[nH]c(=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1688963,7.03
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL603977,7.3
+C[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3143984,5.11
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O,CHEMBL480143,4.29
+C[C@@]1(n2cnc3c(NC4CCCC4)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3143985,7.0
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3143983,6.57
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL2113388,8.33
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL3143982,7.64
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL400189,8.02
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL73809,6.13
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113479,6.95
+CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113543,7.56
+CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113530,6.6
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL2113546,6.13
+COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113541,6.75
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113549,5.84
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113537,6.23
+COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113536,6.79
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113535,7.47
+CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113544,5.64
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL2113539,7.39
+COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113533,7.79
+CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113542,6.7
+COC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113545,6.77
+CCOC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113548,6.49
+CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113547,7.57
+O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113538,7.09
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,CHEMBL2113534,6.24
+CC(C)CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CC(C)C)c1=O,CHEMBL279688,5.69
+CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O,CHEMBL273671,8.53
+Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL89062,5.125
+Cn1c(=O)c2[nH]c(-c3cccc(C(=O)O)c3)nc2n(C)c1=O,CHEMBL273953,4.49
+Cn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)nc2n(C)c1=O,CHEMBL11048,5.52
+Cn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(C)c1=O,CHEMBL27047,7.3
+Cn1c(=O)c2[nH]c(-c3ccccc3O)nc2n(C)c1=O,CHEMBL415248,6.12
+Cn1c(=O)c2[nH]c(-c3cccc(O)c3)nc2n(C)c1=O,CHEMBL11054,6.47
+CC(C)CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC(C)C)c1=O,CHEMBL20402,5.74
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCCC2)[C@@H](O)[C@H]1O,CHEMBL2113489,5.3
+CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113492,6.01
+C#CC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1791423,6.05
+CN1C(=O)N2CCCCN=C2c2c1ncn2C,CHEMBL116382,4.7
+Cn1cnc2c1C1=NCCN1C(=O)N2,CHEMBL326789,4.18
+CCC1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL118082,5.21
+CC[C@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL2112319,5.33
+CC[C@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1,CHEMBL1744045,6.14
+CC[C@@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2112561,4.66
+CC1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL117999,4.23
+CN1C(=O)N2CCN=C2c2c1ncn2C,CHEMBL325043,4.1
+CN1C(=O)N2CCCN=C2c2c1ncn2C,CHEMBL323723,4.36
+C[C@@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL1788233,4.64
+C[C@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21,CHEMBL2112320,4.15
+CN1C(=O)N2CCCCCN=C2c2c1ncn2C,CHEMBL117513,4.22
+Cn1c(=O)c2[nH]c(/C=C/c3ccccc3)nc2n(C)c1=O,CHEMBL282993,6.187
+CC[C@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1,CHEMBL2111766,4.83
+CN1C(=O)N2CCN=C2c2c1nc(-c1ccccc1)n2C,CHEMBL117899,5.01
+CCC1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL118044,6.58
+CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)n(C)c3C2=N1,CHEMBL1788235,4.76
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1625681,6.36
+CC[C@H]1CN2C(=O)N(C)c3[nH]c(-c4ccccc4)nc3C2=N1,CHEMBL1788234,6.94
+CN1C(=O)N2CCCN=C2c2c1nc(Cl)n2C,CHEMBL323615,4.98
+CC[C@@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1,CHEMBL1788230,6.02
+CC[C@@H]1CN2C(=O)N(C)c3ncn(C)c3C2=N1,CHEMBL2112318,4.12
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604019,7.56
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605690,6.35
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCSCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604026,7.28
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605685,6.3
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605691,5.48
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL223270,6.16
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(F)(F)F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604647,5.61
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccnc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603812,6.86
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(N)=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606315,5.13
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccncc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603389,6.37
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccc(C=O)c4)nc32)[C@H](O)[C@@H]1O,CHEMBL605055,5.84
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCN(C)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL603809,7.44
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccs4)nc32)[C@H](O)[C@@H]1O,CHEMBL604649,6.22
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O,CHEMBL606318,6.94
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccco4)nc32)[C@H](O)[C@@H]1O,CHEMBL605056,6.51
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCN4CCOCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL604440,7.04
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C=O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603596,6.0
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604023,6.22
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604851,7.56
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CC#N)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605264,5.8
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc([N+](=O)[O-])cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604234,6.05
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCn4ccnc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606319,6.75
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113450,6.68
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccc5ccccc45)nc32)[C@H](O)[C@@H]1O,CHEMBL605057,5.35
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4nccs4)nc32)[C@H](O)[C@@H]1O,CHEMBL605265,7.07
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604849,6.38
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603602,6.3
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccccc4C=O)nc32)[C@H](O)[C@@H]1O,CHEMBL605473,5.16
+CC(C)CN1C(=O)CN(C)C(=O)c2c1ncn2Cc1ccccc1,CHEMBL94777,4.95
+CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O,CHEMBL92981,4.96
+CCCN1C(=O)CNC(=O)c2c1ncn2Cc1ccccc1,CHEMBL328776,4.49
+CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O,CHEMBL327337,4.8
+CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O,CHEMBL98398,4.52
+CCCCn1c(=O)c2c3nc[nH]c3ccc2n(CCCC)c1=O,CHEMBL312447,6.76
+Cn1c(=O)c2cc3ncn(C)c3cc2n(C)c1=O,CHEMBL72425,4.82
+Cn1c(=O)c2cc3[nH]cnc3cc2n(C)c1=O,CHEMBL307175,4.62
+CCCn1c(=O)c2cc3[nH]cnc3cc2n(CCC)c1=O,CHEMBL72117,6.91
+Cn1c(=O)c2c3nc(-c4ccccc4)[nH]c3ccc2n(C)c1=O,CHEMBL72125,6.35
+Cn1c(=O)c2c3c(ccc2n(C)c1=O)ncn3C,CHEMBL73268,4.99
+Cn1c(=O)c2c3nc[nH]c3ccc2n(C)c1=O,CHEMBL72040,4.87
+CC(C)Cn1c(=O)n(C)c(=O)c2cc3[nH]cnc3cc21,CHEMBL306389,6.21
+CC(C)Cn1c(=O)n(C)c(=O)c2c3nc[nH]c3ccc21,CHEMBL309026,6.07
+Cn1c(=O)c2cc3c(cc2n(C)c1=O)ncn3C,CHEMBL419812,4.94
+CCCn1c(=O)c2c3nc[nH]c3ccc2n(CCC)c1=O,CHEMBL310535,6.53
+CCCCn1c(=O)c2cc3[nH]cnc3cc2n(CCCC)c1=O,CHEMBL73582,6.75
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cccnc3)nc21,CHEMBL284598,7.14
+CCCn1c(=O)c2[nH]c(-c3cccnc3)nc2n(C)c1=O,CHEMBL285212,7.15
+CCCn1c(=O)c2[nH]c(-c3ccsc3)nc2n(C)c1=O,CHEMBL33169,8.19
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccsc3)nc21,CHEMBL286347,8.33
+CCCn1c(=O)c2[nH]c(-c3cccnc3)nc2n(CCC)c1=O,CHEMBL287010,7.94
+CCCn1c(=O)c2[nH]c(-c3cccs3)nc2n(C)c1=O,CHEMBL33893,8.01
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(CCC)c1=O,CHEMBL75093,6.33
+CCCn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(CCC)c1=O,CHEMBL312079,6.773
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3OC)n2C)n(CC)c1=O,CHEMBL77691,7.02
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3OC)n2C)n(CC)c1=O,CHEMBL77699,7.32
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CC)c1=O,CHEMBL77698,7.015
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL489640,9.295
+OC[C@H]1O[C@@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181971,8.232000000000001
+Cc1cccc(C(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c2cccc(C)c2)c1,CHEMBL604607,8.03
+CNC(=O)[C@H]1OC(n2cnc3c(NCC(c4cc(OC)cc(OC)c4)c4ccccc4C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604819,6.0
+OC[C@H]1OC(n2cnc3c(NCC(c4ccccc4)c4c(Cl)cccc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603579,7.21
+Cc1cccc(C)c1C(CNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1,CHEMBL604404,6.64
+COc1cc(OC)cc(C(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2)c1,CHEMBL606507,7.52
+COc1cc(OC)cc(C(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c2c(C)cccc2C)c1,CHEMBL606506,6.85
+OC[C@H]1OC(n2cnc3c(NCC(c4ccccc4)c4cc(Cl)cc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604402,7.74
+COc1cc(OC)cc(C(CNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc2C)c1,CHEMBL603791,6.63
+CC(CNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1,CHEMBL606505,7.43
+CCNC(=O)[C@H]1OC(n2cnc3c(NCC(c4cc(OC)cc(OC)c4)c4ccccc4C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604818,6.68
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL132960,7.62
+OC[C@H]1OC(n2cnc3c(NCC(c4cccc(Cl)c4)c4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603366,8.59
+CCCn1c(=O)c2[nH]c(/C=C/c3ccccc3)nc2n(CCC)c1=O,CHEMBL283908,7.507999999999999
+CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(C)c1=O,CHEMBL32253,8.89
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(O)cc3)nc21,CHEMBL34789,8.6
+CCCn1c(=O)c2[nH]c(-c3ccncc3)nc2n(CCC)c1=O,CHEMBL33816,8.49
+CCCn1c(=O)c2[nH]c(CCc3ccccc3)nc2n(CCC)c1=O,CHEMBL33115,7.24
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL18887,8.2
+CCCn1c(=O)c2[nH]c(-c3ccc(C#N)cc3)nc2n(CCC)c1=O,CHEMBL33673,8.35
+CCCn1c(=O)c2[nH]c(CCc3ccccc3)nc2n(C)c1=O,CHEMBL32963,6.56
+CCCn1c(=O)n(C)c(=O)c2[nH]c(/C=C/c3ccccc3)nc21,CHEMBL33795,7.51
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O,CHEMBL284578,8.97
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cccs3)nc21,CHEMBL285865,8.05
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccncc3)nc21,CHEMBL33762,7.66
+CCCn1c(=O)c2[nH]c(/C=C/c3ccccc3)nc2n(C)c1=O,CHEMBL34120,7.3
+CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(C#N)cc3)nc21,CHEMBL33611,7.86
+CCCn1c(=O)c2[nH]c(-c3ccc(C#N)cc3)nc2n(C)c1=O,CHEMBL34784,8.23
+CCCn1c(=O)n(C)c(=O)c2[nH]c(C3CCCC3)nc21,CHEMBL34004,9.07
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL428341,8.16
+CCCn1c(=O)c2[nH]c(-c3ccncc3)nc2n(C)c1=O,CHEMBL284825,7.56
+CCCn1c(=O)n(C)c(=O)c2[nH]c(C3CCCCC3)nc21,CHEMBL416585,8.74
+CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(C)c1=O,CHEMBL285074,8.3
+CCCn1c(=O)n(C)c(=O)c2[nH]c(CCc3ccccc3)nc21,CHEMBL287011,6.59
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO)c1=O,CHEMBL413079,6.05
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCCO)c1=O,CHEMBL138080,6.2
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(O)c3)n2C)n(C)c1=O,CHEMBL138396,6.03
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(C)c1=O,CHEMBL139090,5.97
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCO)c1=O,CHEMBL343175,5.98
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCO)c1=O,CHEMBL138527,5.89
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(C)c1=O,CHEMBL344857,5.89
+C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCOP(=O)(O)O)c1=O,CHEMBL137980,5.95
+CCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCC)c1=O,CHEMBL55839,7.43
+CCCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113467,6.962999999999999
+CCCNC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113472,5.085
+CCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL263643,7.197
+C[Se]C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113471,6.95
+Nc1ncnc2c1c(C=O)c(C=O)n2-c1ccccc1,CHEMBL96755,4.3
+Cc1nc(N)c2c(C)c(C)[nH]c2n1,CHEMBL319356,4.06
+Cc1[nH]c2nc(-c3ccccc3)nc(N)c2c1C,CHEMBL97139,5.83
+Cc1c(C)n(-c2ccccc2)c2nc(-c3ccccc3)nc(N)c12,CHEMBL95101,7.44
+Cc1[nH]c2ncnc(N)c2c1C,CHEMBL93867,4.26
+CCCCCCn1c(C)c(C)c2c(N)ncnc21,CHEMBL95091,4.22
+C=CCn1c(C)c(C)c2c(N)ncnc21,CHEMBL95032,4.31
+Cc1[nH]c2nc(-c3cccc(Cl)c3)nc(N)c2c1C,CHEMBL316588,6.14
+Cc1c(C)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)nc(N)c12,CHEMBL330105,6.91
+Cc1[nH]c2nc(-c3ccc(Cl)cc3)nc(N)c2c1C,CHEMBL97386,5.91
+Cc1c(C)n(-c2ccccc2)c2ncnc(N)c12,CHEMBL319540,4.74
+Clc1ncnc2c1c1ccccc1n2-c1ccccc1,CHEMBL328657,5.62
+COc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1OC,CHEMBL97770,4.27
+Nc1ncnc2c1c1ccccc1n2-c1ccccc1,CHEMBL94871,5.71
+S=c1[nH]c(=S)c2c3c(n(-c4ccccc4)c2[nH]1)CCCC3,CHEMBL316857,4.07
+Cc1c(C)n(C(C)c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12,CHEMBL316716,7.28
+Nc1ncnc2c1ccn2-c1ccccc1,CHEMBL95105,5.51
+Cc1[nH]c2[nH]cnc(=O)c2c1C,CHEMBL329111,4.24
+O=c1nc[nH]c2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL97150,5.68
+Nc1ncnc2c1c(C(=O)O)c(C(=O)O)n2-c1ccccc1,CHEMBL96365,4.17
+Nc1ncnc2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL319576,5.49
+Cc1c(C)n(C(C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12,CHEMBL329579,7.55
+Cc1nc(N)c2c(C)c(C)n(-c3ccccc3)c2n1,CHEMBL97584,4.52
+c1ccc(-n2c3ccccc3c3c(NC4CCCCC4)ncnc32)cc1,CHEMBL96247,5.71
+CS(=O)(=O)c1nc(S(C)(=O)=O)c2c3c(n(-c4ccccc4)c2n1)CCCC3,CHEMBL329544,4.77
+CSc1nc(SC)c2c3c(n(-c4ccccc4)c2n1)CCCC3,CHEMBL330586,4.01
+Cc1[nH]c2nc(-c3ccccc3Cl)nc(N)c2c1C,CHEMBL95133,5.29
+O=c1nc[nH]c2c1c1ccccc1n2-c1ccccc1,CHEMBL96385,6.06
+NNc1ncnc2c1c1ccccc1n2-c1ccccc1,CHEMBL317729,5.07
+Cc1c(C)n(-c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12,CHEMBL450019,6.0
+O=c1[nH]c2nc(-c3ccccc3)[nH]c2c(=O)n1Cc1cccc(Cl)c1,CHEMBL325959,7.17
+O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1,CHEMBL285191,5.6
+CCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL274855,7.272
+CCCCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL68278,5.05
+CCCn1cnc2[nH]c(=O)[nH]c(=O)c21,CHEMBL114892,4.74
+C#CCn1cnc2[nH]c(=O)n(C)c(=O)c21,CHEMBL115356,5.0
+O=c1[nH]c2nc[nH]c2c(=O)n1Cc1cccc(Cl)c1,CHEMBL113103,5.31
+CCn1c(=O)[nH]c2nc(C3CCCCC3)[nH]c2c1=O,CHEMBL112587,7.12
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL20806,5.01
+CCCn1c(=O)[nH]c2nc(C3CCCC3)[nH]c2c1=O,CHEMBL37243,7.937
+C#CCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL114974,6.68
+O=c1[nH]c2nc(-c3ccccc3)[nH]c2c(=O)n1CCc1ccccc1,CHEMBL112588,6.72
+C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL10873,6.76
+O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1,CHEMBL302344,5.105
+C#CCn1c(=O)[nH]c2ncn(C)c2c1=O,CHEMBL115556,4.66
+Cn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL9069,6.622000000000001
+CC(=O)Cn1c(=O)[nH]c2nc(C3CCCC3)[nH]c2c1=O,CHEMBL113668,5.6
+CCCn1c(=O)[nH]c2ncn(C)c2c1=O,CHEMBL115670,4.68
+C=CCn1cnc2c1c(=O)[nH]c(=O)n2CC=C,CHEMBL324125,4.44
+CCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCCC3)nc21,CHEMBL21449,6.07
+O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1,CHEMBL67949,4.67
+Cn1c(=O)[nH]c2ncn(C)c2c1=O,CHEMBL1158,4.68
+Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccccc3)nc21,CHEMBL115614,5.47
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL8565,5.71
+C=CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL66899,4.825
+CCCn1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL286976,5.2
+C#CCn1c(=O)[nH]c2nc[nH]c2c1=O,CHEMBL67415,4.8
+O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1,CHEMBL113155,5.55
+Cn1cnc2[nH]c(=O)[nH]c(=O)c21,CHEMBL321248,4.48
+C#CCn1c(=O)[nH]c2nc(C3CCCCC3)[nH]c2c1=O,CHEMBL114986,6.77
+CCCn1c(=O)c2[nH]cnc2n(C)c1=O,CHEMBL112369,5.24
+CCCCn1cnc2[nH]c(=O)[nH]c(=O)c21,CHEMBL114891,4.57
+CCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL287129,6.82
+CCc1ccc(C(=O)N[C@H]2[C@@H](C)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1,CHEMBL53387,6.62
+CC(C)c1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1,CHEMBL443741,6.77
+Cc1ccc(C(=O)N[C@H]2[C@@H](C)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1C,CHEMBL54505,6.63
+CC(C)c1ccc(C(=O)N[C@H]2[C@@H](C)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1,CHEMBL416117,6.57
+O=C(N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O)c1ccc2c(c1)OCO2,CHEMBL294675,6.99
+Cc1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1F,CHEMBL55099,6.95
+C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1NC(=O)CCCOc1ccccc1,CHEMBL301116,6.33
+N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL132629,8.09
+Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL202701,4.67
+Nc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL2079570,5.27
+OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL411066,6.63
+CNC(=O)C1CC(n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)C1O,CHEMBL17857,4.44
+Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL1568,8.23
+Nc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2079643,6.52
+OC[C@H]1O[C@@H](n2cnc3c(NC4COc5ccccc5O4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113474,7.38
+Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,CHEMBL1619,5.14
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F,CHEMBL3142980,6.19
+OC[C@H]1O[C@@H](n2cnc3c(NO)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113394,5.03
+Nc1cc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,CHEMBL3142967,4.54
+Nc1nc(NCCc2ccccc2)nc2c1ncn2C1CC(O)C(O)C1O,CHEMBL278932,6.02
+Nc1cc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113392,6.65
+Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)S1,CHEMBL17765,5.1
+CNC(=O)[C@@]1(C)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113395,4.2
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O,CHEMBL471144,5.99
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113475,5.06
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,7.27
+NNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL236757,4.53
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL49843,5.907
+Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL331382,7.115
+Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,CHEMBL129014,4.48
+Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CHEMBL87121,5.31
+Cn1c(=O)c2c(nc(C3CCC3)n2C)n(C)c1=O,CHEMBL92152,4.52
+Cn1c(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CHEMBL327584,5.47
+Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2C,CHEMBL90500,5.43
+Cn1c(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n(C)c1=O,CHEMBL89383,6.82
+Cn1c(=O)c2c(nc(/C=C/C(=O)OC(C)(C)C)n2C)n(C)c1=O,CHEMBL424433,4.92
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CC=C)n(C)c1=O,CHEMBL89274,6.18
+C=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)n(CCC)c(=O)n2CCC,CHEMBL313543,5.54
+CCCn1c(=O)c2[nH]c(C)nc2n(CCC)c1=O,CHEMBL313462,6.22
+CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(Br)nc21,CHEMBL314959,4.19
+Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,CHEMBL316160,4.99
+Cn1c(=O)c2c(nc(-c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O,CHEMBL327466,4.77
+CCC/C=C/c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL313646,6.42
+C=CCn1c(=O)c2c(nc(-c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O,CHEMBL415473,5.24
+C=CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL66610,5.05
+Cn1c(=O)c2[nH]c(C3CCC3)nc2n(C)c1=O,CHEMBL85185,6.72
+CCC/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,CHEMBL90989,5.04
+CCCn1c(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n(CCC)c1=O,CHEMBL329369,8.12
+Cn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,CHEMBL91786,4.31
+CCCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CCC)c1=O,CHEMBL290589,8.07
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL432950,7.14
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL314765,6.85
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL607729,6.91
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL604965,6.23
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113520,8.28
+OC[C@H]1OC(n2cnc3c(NC4CCCCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL611851,6.44
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113477,7.39
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113517,7.5
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113516,6.96
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)cc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113521,6.82
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL606228,6.27
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113518,7.9
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)[C@@H](O)C1O,CHEMBL312981,6.61
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ccnc32)[C@H](O)[C@@H]1O,CHEMBL2113478,6.49
+OC[C@H]1OC(n2cnc3c(NC4CCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL608306,7.42
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)C[C@@H]1O,CHEMBL1790738,4.6
+OC[C@H]1OC(n2cnc3c(NC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606064,6.32
+OC[C@H]1OC(n2cnc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606073,7.1
+CC(C)(CNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1,CHEMBL604410,7.79
+OC[C@H]1OC(n2cnc3c(NCCCCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603570,6.84
+OC[C@H]1OC(n2cnc3c(NCCCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610070,6.54
+CC(CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1,CHEMBL2094078,8.62
+OC[C@H]1OC(n2cnc3c(NCC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL605457,4.84
+Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67313,4.61
+CCCn1c(=O)c2[nH]c(-c3cccc(O)c3O)nc2n(CCC)c1=O,CHEMBL36740,7.445
+Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O,CHEMBL67323,4.63
+CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O,CHEMBL307105,5.78
+CCCn1c(=O)c2[nH]c(-c3cc(O)c(OC)c(O)c3)nc2n(CCC)c1=O,CHEMBL69701,7.52
+Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O,CHEMBL67060,4.75
+CCCn1c(=O)c2[nH]c(-c3ccc(NC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL66337,7.41
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL67228,4.56
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21,CHEMBL63944,5.78
+CCCCn1c(=O)c2[nH]cnc2n(CC)c1=O,CHEMBL66881,5.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O,CHEMBL273807,7.77
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C,CHEMBL337552,4.59
+CCOC(=O)C1=C(C)NC(c2ccc(C)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL140513,4.83
+CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL344284,4.48
+CCOC(=O)C1=C(C)NC(c2ccc([N+](=O)[O-])cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL140693,4.88
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL315458,4.96
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1/C=C/c1ccccc1,CHEMBL2112831,4.86
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1ccccc1[N+](=O)[O-],CHEMBL142226,4.71
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1,CHEMBL108753,5.6
+CCOC(=O)C1=C(C)NC(c2ccc(OC)cc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL142262,5.02
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL142868,5.33
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1[N+](=O)[O-],CHEMBL139931,5.22
+CCOC(=O)C1=C(C)NC(c2ccoc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL143019,5.26
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1OC,CHEMBL141291,4.6
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C=C(c1ccccc1)c1ccccc1,CHEMBL143384,5.92
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1CC,CHEMBL105764,4.665
+CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL108797,4.94
+CCOC(=O)C1=C(C)NC(c2ccsc2)=C(C(=O)OCC)C1/C=C/c1ccccc1,CHEMBL341839,5.12
+CCCn1c(=O)c2[nH]c(-c3ccc(F)cc3F)nc2n(CCC)c1=O,CHEMBL290076,7.29
+CCCn1c(=O)c2[nH]c(-c3ccc(O)c(Cl)c3)nc2n(CCC)c1=O,CHEMBL36702,7.44
+CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3OC)nc2n(CCC)c1=O,CHEMBL290643,6.38
+CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C)cc3)nc2n(CCC)c1=O,CHEMBL39770,7.35
+CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL36783,8.1
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3N)nc2n(CCC)c1=O,CHEMBL415971,8.34
+CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)nc2n(CCC)c1=O,CHEMBL32598,7.57
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(C)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1256785,6.49
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113613,8.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4[N+](=O)[O-])ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113570,7.51
+O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610710,6.95
+CCNC(=O)[C@H]1OC(n2cnc3c(N)[n+]([O-])cnc32)[C@H](O)[C@@H]1O,CHEMBL608761,6.81
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113569,7.29
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc([N+](=O)[O-])c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113638,7.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113610,6.68
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc([N+](=O)[O-])c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610143,6.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113571,7.31
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(S(=O)(=O)O)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610429,4.71
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4ccc(N)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609245,6.37
+CCNC(=O)C1OC(n2cnc3c(=N)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)C(O)C1O,CHEMBL3351032,6.47
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113620,7.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(C)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113567,7.44
+NC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113618,6.24
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113617,6.04
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(N)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609830,6.0
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609923,6.32
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113639,8.49
+CCNC(=O)[C@H]1OC(n2cnc3c(N[C@@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608653,7.19
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(NC(C)=O)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610996,5.53
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113565,7.66
+CCNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610426,7.96
+CCNC(=O)C1OC(n2cnc3c(=N)n(Cc4ccccc4[N+](=O)[O-])cnc32)C(O)C1O,CHEMBL3351031,6.71
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4OC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113612,7.28
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608762,6.3
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609642,6.29
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113611,7.16
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113614,7.06
+O=c1c(Cl)c(-c2ccccc2)oc2ccccc12,CHEMBL74975,5.61
+O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CHEMBL28626,4.86
+O=C1CC(c2ccccc2)Oc2ccccc21,CHEMBL274318,4.49
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,6.06
+COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1/C=C/C(C)C,CHEMBL72617,5.04
+CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL206265,5.69
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL265587,6.34
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C(C)=O)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203812,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4nncs4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437315,6.68
+CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL413046,6.37
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL205058,7.06
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Cc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL383548,7.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202722,8.23
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203933,6.36
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL381917,5.88
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL426669,6.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL204820,7.66
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cc(C)on4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202690,6.84
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL426847,6.77
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ccccn5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113540,6.53
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL203960,7.12
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@@H](C)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437503,6.27
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C(=O)Nc4ccc([N+](=O)[O-])cc4)C(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL203958,7.05
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL377291,6.38
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL203667,4.84
+CCCOc1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1,CHEMBL610394,6.61
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL383268,6.89
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5cc(C)on5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610112,6.05
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCCc4ccc(OC)c(OC)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL204651,5.75
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL204246,6.99
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL379472,7.53
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL206116,6.09
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL437506,5.93
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5ncccn5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113550,6.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL380914,7.05
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL204190,5.32
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(I)c4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608327,6.09
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C(=O)Nc4ccc(Cl)cn4)C(=O)Nc4ccc(Cl)cn4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL202249,6.12
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCCCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113481,5.71
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113480,5.9
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113531,6.66
+CCCCC#Cc1nc(N)c2ncn(C3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1,CHEMBL609211,5.75
+CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113532,6.87
+CCCCC#Cc1nc(N)c2ncn(C3O[C@H](C(=O)NCCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL609475,7.73
+CCCCCCCCOCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113523,5.82
+COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113514,7.42
+CCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113522,6.73
+CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113511,6.59
+CCCCOCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113512,7.73
+CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113515,6.63
+C[Si](C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113508,7.16
+C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607728,6.57
+CCCOCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608309,6.89
+Nc1nc(C#CCCO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113476,7.09
+CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113513,6.61
+Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1,CHEMBL118923,6.65
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL200732,6.85
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL203357,6.53
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL201706,6.7
+Cn1c(=O)[nH]c2cc[nH]c2c1=O,CHEMBL288574,5.54
+Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2O)n(C)c1=O,CHEMBL285294,6.25
+Cn1c(=O)c2[nH]c(/C=C/c3ccccc3)cc2n(C)c1=O,CHEMBL289474,6.78
+CCCn1c(=O)c2[nH]c(N(C)C)cc2n(CCC)c1=O,CHEMBL37247,6.89
+CCCn1c(=O)c2c(cc(-c3ccccc3)n2C)n(CCC)c1=O,CHEMBL36683,6.96
+Cn1c(=O)c2[nH]c(-c3ccc4ccccc4c3)cc2n(C)c1=O,CHEMBL40386,7.59
+CCCn1c(=O)c2c(ccn2C)n(CCC)c1=O,CHEMBL418243,5.64
+CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL35415,7.41
+Cn1c(=O)c2c(cc(-c3ccc4ccccc4c3)n2C)n(C)c1=O,CHEMBL39646,6.57
+CCCn1c(=O)[nH]c2cc[nH]c2c1=O,CHEMBL38755,5.77
+Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,CHEMBL284991,7.01
+Cn1c(=O)c2cc(-c3ccccc3)n(C)c2n(C)c1=O,CHEMBL38811,4.96
+Cn1c(=O)c2cc(-c3ccccc3)[nH]c2n(C)c1=O,CHEMBL38301,5.51
+Cn1c(=O)c2[nH]ccc2n(C)c1=O,CHEMBL38370,5.27
+Cn1c(=O)c2cc[nH]c2n(C)c1=O,CHEMBL39852,4.37
+CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O,CHEMBL289413,7.89
+Cn1c(=O)c2c(cc(-c3ccccc3)n2C)n(C)c1=O,CHEMBL38297,5.44
+Cn1c(=O)c2c(cc(-c3cccc4ccccc34)n2C)n(C)c1=O,CHEMBL286070,5.04
+CCCn1c(=O)c2[nH]ccc2n(CCC)c1=O,CHEMBL38505,6.36
+Cn1c(=O)c2c(cc(-c3ccc4ccccc4c3)n2O)n(C)c1=O,CHEMBL39932,6.66
+Cn1c(=O)c2c(ccn2C)n(C)c1=O,CHEMBL284855,4.49
+Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O,CHEMBL38528,7.33
+CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(CCC)c1=O,CHEMBL22178,5.64
+Cn1c(=O)c2c(cc(/C=C/c3ccccc3)n2C)n(C)c1=O,CHEMBL39898,5.59
+Nc1nc2ccccc2c2nc[nH]c12,CHEMBL19191,5.8
+c1ccc2c(c1)nc(NC1CCCC1)c1[nH]cnc12,CHEMBL19305,7.37
+c1ccc(Nc2nc3ccccc3c3nc[nH]c23)cc1,CHEMBL19533,5.68
+c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL442333,6.64
+c1ccc2c(c1)nc(NC1CCCC1)c1[nH]c(C3CCCC3)nc12,CHEMBL19095,7.41
+Nc1nc2ccccc2c2nc(C3CCCC3)[nH]c12,CHEMBL19970,6.57
+c1ccc(Nc2nc3ccccc3c3nc(-c4ccccc4)[nH]c23)cc1,CHEMBL441954,6.34
+Nc1nc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL276138,7.47
+C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12,CHEMBL1907924,5.82
+C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12,CHEMBL1907708,6.51
+c1ccc(-c2nc3c([nH]2)c(NC2CCCC2)nc2ccccc23)cc1,CHEMBL19768,8.0
+COc1ccc2c(c1)CCCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2236005,7.15
+OC[C@H]1O[C@@H](n2cnc3c(NCC4=CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235588,7.0
+OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235593,6.93
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCc5cc6c(cc54)OCO6)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235603,7.3
+CCOc1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235607,7.48
+CCCOc1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235608,7.55
+OC[C@H]1O[C@@H](n2cnc3c(NCC4(O)CCCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235591,6.56
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5ccc(OCc6ccccc6)cc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236010,5.12
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCc5cc(O)ccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235606,7.37
+CCCCOc1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2092767,7.337000000000001
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCc5cc(Cl)ccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235611,7.39
+COc1cc2c(c(OC)c1OC)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2,CHEMBL2235602,5.82
+OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235589,7.76
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL3350060,7.47
+CC(C)Oc1cccc2c1CCCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235585,7.06
+CCOc1ccc2c(c1)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCC2,CHEMBL2236007,7.16
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5ccc(O)cc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236006,7.4
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5c(O)cccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236011,7.69
+CC(C)COc1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235609,7.55
+OC[C@H]1O[C@@H](n2cnc3c(NCC4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236001,8.28
+CCOc1cccc2c1CCCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235583,7.39
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCOc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235594,7.2
+COc1cc2c(cc1OC)CC(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,CHEMBL2235605,8.3
+OC[C@H]1O[C@@H](n2cnc3c(NC4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235604,7.62
+CC(C)Oc1ccc2c(c1)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCC2,CHEMBL2236009,6.37
+CCCOc1ccc2c(c1)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCC2,CHEMBL2236008,6.3
+COc1cccc2c1CCCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2236012,7.63
+OC[C@H]1OC(n2cnc3c(NCC4=CCCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL605177,6.39
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235599,6.51
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236002,6.52
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCSc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235596,7.5
+CCCCCOc1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235610,6.98
+OC[C@H]1O[C@@H](n2cnc3c(NC4CSc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235597,8.44
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235598,7.34
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5c(OCc6ccccc6)cccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235586,6.86
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235590,7.6
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236003,7.64
+O=[N+]([O-])c1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235999,7.39
+OC[C@H]1OC(n2cnc3c(NC4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604141,8.08
+COc1cc2c(cc1OC)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2,CHEMBL2235601,6.94
+CCCOc1cccc2c1CCCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2235584,7.09
+OC[C@H]1OC(n2cnc3c(NCC4(O)CCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604144,7.21
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2234029,7.75
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235600,7.65
+OC[C@H]1O[C@@H](n2cnc3c(NC4COc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2235595,7.87
+OC[C@H]1OC(n2cnc3c(NCC4=CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL605165,7.49
+OC[C@H]1O[C@@H](n2cnc3c(NCC4(O)CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2236000,7.17
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL267474,7.74
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8495,8.19
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1=O,CHEMBL8810,8.24
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(CCC)c1=O,CHEMBL266099,8.36
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n(C)c1=O,CHEMBL9030,8.11
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL412854,8.59
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2n(C)c1=O,CHEMBL9034,7.68
+CCCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL268617,6.32
+CCCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O,CHEMBL8789,7.39
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL8732,8.44
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL8865,8.57
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O,CHEMBL417601,8.2
+Cn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,CHEMBL275987,5.66
+CSC[C@H]1OC(n2cnc3c(N[C@H](C)Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610691,7.54
+C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12,CHEMBL118785,5.02
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CCCC(O)C1O,CHEMBL331957,4.82
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2COCCO,CHEMBL117739,4.17
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1OCC(O)C(O)C1O,CHEMBL332331,5.24
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,CHEMBL2111777,4.7
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1O[C@H](CCl)[C@@H](O)[C@H]1O,CHEMBL611892,8.8
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CCCCO1,CHEMBL325664,5.92
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CCCO1,CHEMBL118802,5.82
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,CHEMBL2112121,5.72
+CCCC(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(CCC)c(=O)n2CCC,CHEMBL336847,7.13
+CCCn1c(=O)c2[nH]c(C(CC)Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL132063,6.79
+CCCn1c(=O)c2[nH]c(C(CO)Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL337294,5.89
+CCCn1c(=O)c2[nH]c(CC(C)c3ccccc3)nc2n(CCC)c1=O,CHEMBL128475,7.03
+CCCn1c(=O)c2[nH]c([C@H](C)c3ccccc3)nc2n(CCC)c1=O,CHEMBL128804,7.6
+CCCn1c(=O)c2[nH]c(C(C)c3ccccc3)nc2n(CCC)c1=O,CHEMBL130779,7.31
+CCCn1c(=O)c2[nH]c([C@H](CC)c3ccccc3)nc2n(CCC)c1=O,CHEMBL128092,7.63
+CCCn1c(=O)c2[nH]c([C@H](C)Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL262984,8.16
+CCCn1c(=O)c2[nH]c([C@@H](C)Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL340019,7.22
+CCCn1c(=O)c2[nH]c(C3CCc4ccccc4C3)nc2n(CCC)c1=O,CHEMBL423513,7.02
+CCCn1c(=O)c2[nH]c([C@H]3CCC[C@@H]3c3ccccc3)nc2n(CCC)c1=O,CHEMBL2367993,6.78
+CCCn1c(=O)c2[nH]c(C(CC)c3ccccc3)nc2n(CCC)c1=O,CHEMBL339270,7.47
+CCCn1c(=O)c2[nH]c(C3Cc4ccccc4C3)nc2n(CCC)c1=O,CHEMBL132441,7.19
+CCCn1c(=O)c2[nH]c([C@@H](CC)c3ccccc3)nc2n(CCC)c1=O,CHEMBL128606,6.87
+CCCn1c(=O)c2[nH]c([C@@H](C)c3ccccc3)nc2n(CCC)c1=O,CHEMBL336189,6.76
+CCCn1c(=O)c2[nH]c(C(C)Cc3ccccc3)nc2n(CCC)c1=O,CHEMBL337073,7.49
+CON=c1[nH]c(Cl)nc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O,CHEMBL301169,7.13
+CON=c1[nH]c(Cl)nc2c1ncn2[C@@H]1O[C@H](c2ccon2)[C@@H](O)[C@H]1O,CHEMBL49513,6.21
+O[C@@H]1[C@@H](c2ccon2)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL296135,5.72
+C=C[C@H]1O[C@@H](n2cnc3c(=NOC)[nH]c(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL50982,5.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2304158,5.99
+CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1,CHEMBL305516,4.19
+O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1,CHEMBL71053,5.49
+O=C(Cc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1,CHEMBL72287,6.62
+CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319539,7.51
+O=C(CCCCC(=O)OCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95229,6.52
+CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98828,7.27
+CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL100195,7.19
+NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319941,6.94
+NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319976,7.0
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL97748,7.6
+O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97753,7.35
+NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95811,8.005
+C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2111571,6.41
+Clc1ccc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3c2c1,CHEMBL98512,5.92
+CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL98570,7.52
+O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL100382,7.34
+C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112381,6.71
+COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97279,7.14
+COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL317373,7.52
+O=C(Cc1ccccc1I)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL330377,5.64
+CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)(c1ccccc1)c1ccccc1,CHEMBL100426,6.05
+C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL411692,7.43
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,CHEMBL317580,6.89
+Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1I,CHEMBL94968,6.66
+O=C(Cc1cccc(I)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97307,7.34
+C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL98464,7.34
+NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97961,7.05
+O=C(Cc1ccc(I)cc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95820,7.86
+O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329284,7.37
+C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL2112385,7.31
+NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97700,8.16
+COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL97484,7.33
+O=C(/C=C/c1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL95706,6.55
+CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318501,7.42
+CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL319971,7.49
+CCCn1c(=O)n2nc(-c3ccco3)nc2c2cc(Cl)ccc21,CHEMBL97383,5.73
+CC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL318251,7.28
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1,CHEMBL317382,6.17
+O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1cccc(I)c1,CHEMBL93932,6.7
+CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL317310,6.69
+CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL96041,6.72
+CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL329722,6.55
+CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,CHEMBL313422,7.54
+Nc1ccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I,CHEMBL612176,9.15
+OCCCNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610386,8.15
+C[C@H](Cc1ccc(O)c(I)c1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2368675,9.03
+Nc1ccc(CCNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I,CHEMBL609534,8.69
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc2c(c1)C(=O)CC21c2ccc(O)cc2Oc2cc(O)ccc21,CHEMBL610859,8.15
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL610439,9.66
+Cc1c(C)n([C@H](C)Cc2ccccc2)c2nc(-c3ccccc3)nc(N)c12,CHEMBL135163,8.33
+CCCn1c(=O)c2[nH]c(C3CCC(=O)C3)nc2n(CCC)c1=O,CHEMBL84545,7.98
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCNC(=S)Nc5ccc(N=C=S)cc5)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL608320,6.55
+Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1,CHEMBL605668,7.32
+Nc1nc(OCCC2CCCCC2)nc2c1ncn2C1O[C@@H](CO)[C@H](O)[C@@H]1O,CHEMBL606093,5.82
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2112182,9.52
+Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL604202,8.08
+Nc1nc(-c2ccccc2)nc2c1cnn2-c1ccccc1,CHEMBL435977,7.64
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCN)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL1950647,6.51
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL27041,7.242999999999999
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(N)c(I)c2)c1=O,CHEMBL334776,9.64
+Nc1nc(NCCC2C=CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607498,5.57
+CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](CNC(C)=O)CC3)nc2n(CCC)c1=O,CHEMBL134837,8.1
+C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL312917,7.7
+OC[C@H]1OC(n2cnc3c(Nc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL610407,8.12
+C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL315056,8.85
+CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL79223,6.26
+NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1,CHEMBL80282,7.55
+Nc1nc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113493,6.46
+O=[N+]([O-])c1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113487,5.85
+Nc1cc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113502,6.19
+CON=c1[nH]c([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113495,5.94
+OC[C@H]1OC(n2cnc3c(NC4CCCC4)nccc32)[C@H](O)[C@@H]1O,CHEMBL610646,7.0
+O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113491,6.96
+O=[N+]([O-])c1cc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113494,7.28
+O=[N+]([O-])c1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113488,6.86
+O=[N+]([O-])c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113490,7.33
+CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,CHEMBL2112484,4.77
+CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1,CHEMBL321178,4.25
+CCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C,CHEMBL107155,4.76
+Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374685,6.89
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL609244,6.33
+CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607772,5.92
+CCCOCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609543,7.73
+CC(C)CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609049,5.68
+CCC(CC)CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608177,5.83
+Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL611289,6.85
+Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL608461,7.31
+CCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607775,6.81
+CCCOCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609825,6.89
+Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL426928,6.3
+COc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,CHEMBL608463,6.12
+CCC(CC)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL610989,5.57
+COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL610138,6.32
+COCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608460,7.42
+Nc1nc(OCCc2cccc(F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL225593,6.78
+Nc1nc(OCCC2CCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL612214,5.8
+Nc1nc(OCCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610992,5.55
+Nc1nc(OCCCCCc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610988,6.02
+Nc1nc(OCCc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608949,6.6
+Nc1nc(Oc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611900,5.46
+Nc1nc(OCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL374151,5.44
+Nc1nc(OCCc2ccccc2Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608351,6.28
+Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1950553,7.05
+CCOCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608947,6.61
+C[C@@H](CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1)c1ccccc1,CHEMBL345286,5.8
+CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1,CHEMBL3350613,6.89
+Nc1nc(OCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387354,5.8
+Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1807815,4.85
+COc1cc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC,CHEMBL608063,5.3
+CC(C)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL609544,5.59
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL611288,7.55
+CCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611293,5.6
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(COC(C)=O)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL608948,7.85
+Nc1nc(OCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607614,5.52
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(CC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL610990,5.31
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CN(C)CCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL610993,4.92
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(CO)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL611583,9.08
+Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611290,6.35
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL611586,5.93
+Nc1nc(CO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608753,8.0
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CC(=O)OC(C)(C)C)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL608180,6.13
+CC[C@H](COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1,CHEMBL612215,5.64
+CCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611582,6.9
+Nc1nc(CCO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608181,7.09
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL607901,5.07
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CNCCc4ccc(CC(=O)OC)cc4)nc32)[C@H](O)[C@@H]1O,CHEMBL611291,5.9
+Nc1nc(OCc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608650,6.22
+COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1OC,CHEMBL607773,6.42
+CCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL611899,6.34
+Nc1nc(OCCCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608464,5.96
+CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL223846,5.89
+CC(C)Oc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608462,4.7
+Nc1nc(OCCO)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611585,7.14
+COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL607613,6.72
+CCCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608182,6.05
+Nc1nc(OCCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL387324,5.62
+CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(C(=O)O)CC4)nc32)[C@H](O)[C@@H]1O,CHEMBL612216,6.53
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)C)cc3)nc2n(CCC)c1=O,CHEMBL27028,7.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL444281,8.31
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)OCC)cc3)nc2n(CCC)c1=O,CHEMBL27762,7.38
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(C)c1=O,CHEMBL285103,6.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C(=O)NC4CCCCC4)C4CCCCC4)cc3)nc2n(CCC)c1=O,CHEMBL286493,7.02
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN(CC)Cc4ccc(O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL286728,8.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL265739,7.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)nc2n(CCC)c1=O,CHEMBL432664,7.6
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCC4SCC5NC(=O)NC54)cc3)nc2n(CCC)c1=O,CHEMBL283628,7.27
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN)cc3)nc2n(CCC)c1=O,CHEMBL286063,7.23
+Cc1ccc(NC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1,CHEMBL441598,7.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCCCCCCCN)cc3)nc2n(CCC)c1=O,CHEMBL422937,8.3
+CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N(C)CCN(C)C)cc3)nc2n(CCC)c1=O,CHEMBL308499,7.86
+CCCn1c(=O)c2[nH]c(C(C3CC3)C3CC3)nc2n(CCC)c1=O,CHEMBL84363,9.0
+FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL268071,8.14
+OC[C@H]1OC(n2cnc3c(NCc4c5ccccc5cc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606227,5.05
+OC[C@H]1OC(n2cnc3c(NCCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609790,6.49
+OC[C@H]1OC(n2cnc3c(NCC4c5ccccc5Oc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604967,7.21
+OC[C@H]1OC(n2cnc3c(NCC4c5ccccc5CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609501,6.8
+OC[C@H]1OC(n2cnc3c(NCCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604617,7.91
+OC[C@H]1OC(n2cnc3c(NC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604961,5.21
+CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL7472,7.1
+CCc1nnc2c(NC3CC3)nc3ccccc3n12,CHEMBL6890,6.59
+CCCc1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL266978,7.41
+CCc1nnc2c(NC3CCC3)nc3ccccc3n12,CHEMBL414401,7.24
+CCc1nnc2c(NC3CC4CCC3C4)nc3ccccc3n12,CHEMBL268801,7.36
+c1ccc2c(c1)nc(NC1CCCC1)c1nncn12,CHEMBL269044,6.74
+CCCCc1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL7454,7.26
+CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12,CHEMBL7325,6.2
+CCc1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL7271,7.55
+CCc1nnc2c(NCC(C)O)nc3ccccc3n12,CHEMBL7219,6.48
+Cc1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL267400,7.47
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](C)c3ccccc3)c2c1C,CHEMBL81336,8.17
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O,CHEMBL327708,7.94
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610121,6.63
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL612203,7.57
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608044,5.47
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609225,7.38
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609525,7.15
+CCNC(=O)[C@H]1OC(n2cnc3c(NCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O,CHEMBL611272,6.95
+Cn1c(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O,CHEMBL606090,6.84
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603382,7.0
+OC[C@H]1OC(n2cnc3c(NC4CCCCCCCCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL604646,5.27
+CC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL16676,4.46
+COc1ccccc1/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,CHEMBL282864,5.32
+CCn1c(=O)c2[nH]c(/C=C/c3cc(OC)c(OC)c(OC)c3)nc2n(CC)c1=O,CHEMBL280839,6.07
+Cn1c(=O)c2c(nc(/C=C/c3cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)n2C)n(C)c1=O,CHEMBL418196,4.97
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)cc(OC)c1OC,CHEMBL283939,7.49
+CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3OC)nc2n(CCC)c1=O,CHEMBL27140,7.01
+Cn1c(=O)c2[nH]c(/C=C/c3cc(F)cc(F)c3)nc2n(C)c1=O,CHEMBL26698,5.63
+CCCn1c(=O)c2[nH]c(/C=C/c3cc(OC)cc(OC)c3)nc2n(CCC)c1=O,CHEMBL447777,6.2
+Cn1c(=O)c2[nH]c(/C=C/c3cccc(O)c3)nc2n(C)c1=O,CHEMBL283184,6.15
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C,CHEMBL286959,4.96
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)OC(C)(C)C)c3)n2C)n(C)c1=O,CHEMBL27883,4.63
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OCCCCN,CHEMBL28233,5.21
+CC(=O)Nc1cccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CHEMBL25859,5.02
+CCCn1c(=O)c2c(nc(/C=C/c3cc(F)cc(F)c3)n2C)n(CCC)c1=O,CHEMBL27260,6.42
+CCCn1c(=O)c2[nH]c(/C=C/c3cc(OC)c(OC)cc3OC)nc2n(CCC)c1=O,CHEMBL26837,6.84
+Cn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(C)c1=O,CHEMBL26668,5.77
+Cn1c(=O)c2c(nc(/C=C/c3cc(F)cc(F)c3)n2C)n(C)c1=O,CHEMBL281468,4.83
+COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL281958,6.07
+COc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CHEMBL26963,4.85
+CCCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(CCC)c1=O,CHEMBL28395,6.78
+COc1cccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1OC,CHEMBL281305,5.8
+COc1cccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1,CHEMBL27032,5.74
+COc1cc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc(OC)c1,CHEMBL25799,5.52
+CCCn1c(=O)c2c(nc(/C=C/c3cccc([N+](=O)[O-])c3)n2C)n(CCC)c1=O,CHEMBL26938,6.57
+Cn1c(=O)c2[nH]c(/C=C/c3cccc(C(F)(F)F)c3)nc2n(C)c1=O,CHEMBL283258,6.06
+Cn1c(=O)c2[nH]c(/C=C/c3cccc(N)c3)nc2n(C)c1=O,CHEMBL26069,6.54
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1O,CHEMBL281272,5.06
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL25976,4.57
+Cn1c(=O)c2c(nc(/C=C/c3cccc([N+](=O)[O-])c3)n2C)n(C)c1=O,CHEMBL26070,5.67
+COc1ccccc1/C=C/c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CHEMBL28046,5.76
+Cn1c(=O)c2c(nc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(C)c1=O,CHEMBL28267,5.48
+Cn1c(=O)c2[nH]c(/C(F)=C/c3ccccc3)nc2n(C)c1=O,CHEMBL282599,5.66
+COc1cccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CHEMBL281657,5.27
+CCn1c(/C=C/c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL25914,5.2
+CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CCC)c1=O,CHEMBL27496,7.15
+CCCn1c(=O)c2c(nc(/C=C/c3cc(OC)c(OC)cc3OC)n2C)n(CCC)c1=O,CHEMBL283847,6.16
+CCCn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(CCC)c1=O,CHEMBL25906,6.95
+CCCn1c(=O)c2[nH]c(/C=C/c3cccc(F)c3)nc2n(CCC)c1=O,CHEMBL284571,7.11
+CCCn1c(=O)c2c(nc(/C=C/c3cccc(F)c3)n2C)n(CCC)c1=O,CHEMBL28258,6.52
+COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC,CHEMBL285589,5.27
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OCc1ccccc1,CHEMBL28052,5.39
+COc1cccc2cc(-c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)oc12,CHEMBL28346,5.75
+CCCn1c(=O)c2[nH]c(/C=C/c3cc(F)cc(F)c3)nc2n(CCC)c1=O,CHEMBL27261,6.84
+Cn1c(=O)c2c(nc(/C=C/c3cccc(F)c3)n2C)n(C)c1=O,CHEMBL283906,4.8
+COc1cccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1OC,CHEMBL286285,5.27
+Cn1c(=O)c2[nH]c(/C=C/c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O,CHEMBL285339,5.97
+CN(C)c1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL26899,5.52
+COc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)c(OC)c1OC,CHEMBL26887,5.16
+C#CCn1c(/C=C/c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL26792,5.39
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3OC)n2C)n(CCC)c1=O,CHEMBL283937,6.61
+Cn1c(=O)c2[nH]c(/C=C/c3cccc(F)c3)nc2n(C)c1=O,CHEMBL281885,5.57
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OC(C)=O,CHEMBL283896,5.2
+COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OC/C=C/CN,CHEMBL283406,5.2
+CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O,CHEMBL73827,5.6
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CCC)c1=O,CHEMBL76931,6.82
+CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CCC)c1=O,CHEMBL78317,6.25
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCO,CHEMBL159631,5.04
+CCCOC(=O)c1c(-c2ccccc2)nc(CCO)c(C(=O)SCC)c1CCC,CHEMBL352083,5.23
+CCCc1c2c(nc(-c3ccccc3)c1C(=O)OCC)CCSC2=O,CHEMBL163488,4.6
+CCCOC(=O)c1c(-c2ccccc2)nc(CCF)c(C(=O)SCC)c1CCC,CHEMBL347423,4.7
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCSC(C)=O,CHEMBL162665,5.01
+CCCOC(=O)c1c(-c2cccc(F)c2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL164302,5.09
+CCCOC(=O)c1c(-c2ccc(F)cc2)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL162706,4.39
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCO,CHEMBL162666,5.04
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F,CHEMBL164200,5.25
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCSC2=O,CHEMBL348766,4.78
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCF)c1CCC,CHEMBL163743,5.09
+CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC,CHEMBL164039,4.88
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCN1C(=O)c2ccccc2C1=O,CHEMBL349191,6.31
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCCNC2=O,CHEMBL164312,5.24
+CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC,CHEMBL164321,4.94
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC2COC(C)(C)O2)c1CCC,CHEMBL163634,5.24
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCF,CHEMBL164210,5.09
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c2c1CCOC2=O,CHEMBL350419,4.95
+CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF,CHEMBL422184,5.22
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCCF)c1CCC,CHEMBL162630,4.9
+CCCOC(=O)c1c(-c2ccccc2)nc(CCOCc2ccccc2)c(C(=O)SCC)c1CCC,CHEMBL163626,4.8
+CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCN1C(=O)c2ccccc2C1=O,CHEMBL350201,5.28
+CCCOC(=O)c1c(-c2ccccc2F)nc(CC)c(C(=O)SCC)c1CCC,CHEMBL163126,4.87
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCO)c1CCC,CHEMBL350988,4.97
+CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC(F)(F)F)c1CCC,CHEMBL2112931,5.08
+CCCCC(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL130299,7.43
+CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL132909,8.17
+CCC(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL133225,6.81
+CC(C)C(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL133510,6.59
+CSc1nc(SC(C(N)=O)C(C)C)nc2c1cnn2-c1ccccc1,CHEMBL130143,7.8
+CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL338723,8.12
+CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL131702,8.97
+CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133103,8.81
+CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133741,8.08
+CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL133605,9.03
+CCCC(Sc1nc(=S)c2cnn(-c3ccccc3)c2[nH]1)C(N)=O,CHEMBL335013,7.25
+CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL134274,8.56
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CCC4C5)ncnc32)[C@@H]1O,CHEMBL3038260,9.62
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4C[C@H]5CCC4C5)ncnc32)[C@@H]1O,CHEMBL3038256,9.38
+OC[C@H]1O[C@@H](n2cnc3c(NC4C[C@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2112183,9.04
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2112184,8.78
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@@H]1O,CHEMBL3038259,8.73
+O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL137950,5.98
+CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL141154,5.57
+CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1,CHEMBL138332,5.8
+Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL16867,8.443
+Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,CHEMBL423542,7.95
+COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL422820,5.89
+CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL137879,7.02
+CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL344706,6.86
+COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1,CHEMBL139182,5.82
+CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12,CHEMBL109894,5.49
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12,CHEMBL320319,6.21
+CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1,CHEMBL2112507,6.0
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12,CHEMBL110749,4.48
+CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1,CHEMBL322270,6.36
+CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1,CHEMBL420489,7.02
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@@H](c3ccccc3)N12,CHEMBL111729,5.13
+CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12,CHEMBL110426,5.03
+CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1,CHEMBL2112500,5.2
+CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12,CHEMBL321240,5.05
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@H](O)CO)[C@@H]1C#Cc1ccccc1,CHEMBL2111655,4.83
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@H](O)CO)[C@H]1C#Cc1ccccc1,CHEMBL2112436,5.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17002,7.42
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL16908,6.7
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17341,7.55
+C=CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CC=C)c1=O,CHEMBL16724,6.12
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL17202,8.12
+O=C(O)COc1ccc(-c2nc3c([nH]2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)cc1,CHEMBL417812,6.17
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17003,8.13
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL277386,7.35
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)nc2n(CCC)c1=O,CHEMBL16984,7.57
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275360,7.99
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17294,8.4
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2n(CCC)c1=O,CHEMBL16534,6.36
+CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL16997,7.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL16677,8.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16929,6.57
+O=C(O)/C=C/c1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCCCC2)c(=O)n3CC2CCCCC2)cc1,CHEMBL17103,6.22
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2n(CCC)c1=O,CHEMBL16787,7.88
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16741,7.42
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275427,8.2
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2n(CCC)c1=O,CHEMBL278039,7.8
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)nc2n(CCC)c1=O,CHEMBL17173,7.95
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275605,8.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275606,6.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc2n(CCC)c1=O,CHEMBL16931,6.84
+CCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCCC)c1=O,CHEMBL17123,7.37
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL275149,6.78
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)nc2n(CCC)c1=O,CHEMBL17167,7.61
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)nc2n(CC)c1=O,CHEMBL17141,7.395
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC(c4ccccc4)c4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL17299,6.92
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@@H]2COC(C)(C)O2)[C@H]1C#Cc1ccccc1,CHEMBL431232,4.79
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1C#Cc1ccccc1,CHEMBL103433,4.6
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC[C@@H]2COC(C)(C)O2)[C@@H]1C#Cc1ccccc1,CHEMBL104198,4.49
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C#Cc1ccccc1,CHEMBL321579,4.49
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@H](Cc4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL609547,5.52
+C[C@H]1N=C2c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@@H]1c1ccccc1,CHEMBL609247,4.9
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@@H](Cc4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL609546,5.65
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@@H](c4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL607912,5.42
+C[C@@H]1N=C2c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3N=CN2[C@H]1c1ccccc1,CHEMBL608068,4.95
+OC[C@@H]1OC(n2cnc3c2N=CN2C[C@H](c4ccccc4)N=C32)[C@@H](O)[C@H]1O,CHEMBL607911,5.34
+CC[C@H](Nc1nc(Cl)nc2c1ncn2C)c1ccccc1,CHEMBL99407,5.55
+Cn1cnc2c(Nc3ccccc3)nc(Cl)nc21,CHEMBL98779,5.15
+Cn1cnc2c(N)nc(Cl)nc21,CHEMBL317398,4.64
+CC[C@@H](Nc1nc(Cl)nc2c1ncn2C)c1ccccc1,CHEMBL318453,5.48
+CCn1cnc2c(NC3CCCCC3)ncnc21,CHEMBL321753,5.7
+CCn1cnc2c(N)ncnc21,CHEMBL304009,4.34
+CC[C@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1,CHEMBL96014,5.14
+CCn1cnc2c(NC3CCCC3)ncnc21,CHEMBL301574,6.36
+Nc1ncnc2c1ncn2C1CCCC1,CHEMBL294590,5.74
+Cn1cnc2c(Nc3ccccc3)ncnc21,CHEMBL321749,5.16
+c1ccc(-n2cnc3c(NC4CCCC4)ncnc32)cc1,CHEMBL319010,5.06
+CC[C@@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1,CHEMBL95936,5.33
+c1nc(NC2CCCC2)c2ncn(C3CCCO3)c2n1,CHEMBL95913,5.77
+c1ccc(Nc2ncnc3c2ncn3-c2ccccc2)cc1,CHEMBL96015,5.16
+Cn1cnc2c(NC3CCCCC3)ncnc21,CHEMBL95332,6.03
+CC[C@@H](Nc1ncnc2c1ncn2C)c1ccccc1,CHEMBL1202925,5.6
+Nc1ncnc2c1ncn2-c1ccccc1,CHEMBL62756,4.72
+Cn1cnc2c(NC3CCCC3)nc(Cl)nc21,CHEMBL88788,6.28
+OCCn1cnc2c(NC3CCCC3)ncnc21,CHEMBL320370,5.48
+c1nc(NC2CCCC2)c2ncn(C3CCCC3)c2n1,CHEMBL95617,5.92
+CC[C@H](Nc1ncnc2c1ncn2C)c1ccccc1,CHEMBL1202924,4.96
+Nc1ncnc2c1ncn2C1CCCO1,CHEMBL64239,4.55
+CCNC(=O)C1=C(c2ccccc2)N(COCC)C(C)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL85130,4.73
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC[Si](C)(C)C)C1C#Cc1ccccc1,CHEMBL89264,4.73
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)SCC)C1C#Cc1ccccc1,CHEMBL328895,4.5
+CCOCN1C(C)=C(C(=O)OCC)C(C#Cc2ccccc2)C(C(=O)O)=C1c1ccccc1,CHEMBL90733,4.72
+CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(O)OCC)c1-c1ccccn1,CHEMBL89874,4.76
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccccc1,CHEMBL314071,5.1
+CCOC(=O)C1=C(C)NC(C(F)(F)F)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL86968,4.63
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cc2ccccc2o1,CHEMBL90160,5.44
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC(OC)c2ccccc2)C1C#Cc1ccccc1,CHEMBL86692,5.07
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OC(C)(C)C)C1C#Cc1ccccc1,CHEMBL89494,4.64
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cccnc1,CHEMBL89575,4.58
+CCOC(=O)C1=C(c2ccccc2)NC2=C(C(=O)CCC2)C1C#Cc1ccccc1,CHEMBL86829,4.9
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1cccs1,CHEMBL315720,5.07
+CCNC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL315897,4.79
+CCNC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccccc1,CHEMBL89358,4.18
+CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(C)=O)C1C#Cc1ccccc1,CHEMBL89343,4.9
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1C#Cc1ccc([N+](=O)[O-])cc1,CHEMBL88688,4.46
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)O)C1C#Cc1ccccc1,CHEMBL328932,5.09
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccco1,CHEMBL89797,4.81
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccs1,CHEMBL311542,5.35
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)SCC)C1C#Cc1ccccc1,CHEMBL84583,4.28
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1,CHEMBL276854,4.83
+CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1F,CHEMBL436255,6.1
+OCC1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1F,CHEMBL168567,5.87
+CNc1nc(Cl)nc2c1ncn2C1OC(CO)C(F)C1O,CHEMBL168843,4.77
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2113435,5.78
+CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL606095,6.34
+CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113436,5.36
+CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113434,5.75
+Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(-c3ccco3)nn12,CHEMBL278906,8.48
+Nc1nc2c(nnn2Cc2cccc(F)c2)c2nc(-c3ccco3)nn12,CHEMBL83574,7.72
+Nc1nc2c(nnn2CCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL85864,7.37
+Nc1nc2c(nnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,CHEMBL83235,7.21
+CC(C)CCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL86186,6.94
+Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL277589,6.19
+Nc1nc2c(nnn2Cc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL82901,8.21
+Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(-c3ccco3)nn12,CHEMBL315562,7.74
+CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL16894,7.52
+CCCCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL17094,6.63
+Nc1nc2c(nnn2Cc2ccccc2F)c2nc(-c3ccco3)nn12,CHEMBL85973,7.86
+CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1,CHEMBL315150,8.25
+CCOC(=O)c1sc(SC)c2c1CCCC2O,CHEMBL337243,4.74
+CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O,CHEMBL87496,6.143
+CCSc1sc(C(=O)OC)c2c1C(=O)CCC2,CHEMBL337629,5.48
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44,5.3
+CCCN1CN(CCC)c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2C1=O,CHEMBL130162,8.92
+CCCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130545,5.85
+CCOC(=O)c1sc(SCC)c2c1CC(C)(C)CC2=O,CHEMBL2112674,5.57
+CCOC(=O)c1sc(SC(C)CC)c2c1CC(C)(C)CC2=O,CHEMBL2112673,5.44
+CCOC(=O)c1sc(S(C)(=O)=O)c2c1CC(C)(C)CC2=O,CHEMBL2112672,4.49
+CCOC(=O)c1sc(SCc2ccccc2)c2c1CC(C)(C)CC2=O,CHEMBL1717143,6.25
+CSc1sc(C(=O)NN)c2c1C=CCC2,CHEMBL75126,4.29
+C=CCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130787,5.97
+CCOC(=O)c1sc(SC)c2c1CCCC2=O,CHEMBL335334,5.71
+CCOC(=O)CSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130707,5.65
+CSc1sc(C(=O)O)c2c1C(=O)CCC2,CHEMBL132222,4.4
+CCOC(=O)c1sc(SC)c2c1CCC/C2=N/OC,CHEMBL130596,4.16
+CSc1sc(C(=O)NN)c2c1C(O)CCC2,CHEMBL130595,4.15
+CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O,CHEMBL131133,5.75
+COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2C=O)ccc1O,CHEMBL42639,4.77
+CCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2,CHEMBL130975,5.9
+CCOC(=O)c1sc(NN)c2c1CCCC2=O,CHEMBL337081,4.76
+Nc1nc2ccccc2n2cc(-c3ccccc3)nc12,CHEMBL132118,7.47
+O=C(O)c1sc(SCc2ccccc2)c2c1CCCC2=O,CHEMBL336968,4.3
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113628,6.6
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4C(F)(F)F)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113632,6.42
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4OC)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113616,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113637,6.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113629,7.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113624,6.96
+CCCCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1O,CHEMBL2113621,6.35
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL607941,6.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113572,7.35
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113633,6.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113634,7.19
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113625,6.99
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113630,7.48
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113636,6.31
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL608207,6.13
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NC(C)(C)C)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113623,5.84
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113631,7.14
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113626,6.91
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113635,7.07
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113627,6.26
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113622,7.11
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4I)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113615,6.75
+CCC(C)Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL440458,6.94
+CC(C)(C)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21,CHEMBL280067,6.37
+Nc1nc2c(cnn2CCO)c2nc(-c3ccco3)nn12,CHEMBL16508,6.01
+Nc1nc2c(cnn2CCN2CCOCC2)c2nc(-c3ccco3)nn12,CHEMBL275636,6.33
+OCCn1ncc2c1nc(NCc1ccccc1)n1nc(-c3ccco3)nc21,CHEMBL16692,6.48
+Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12,CHEMBL276738,6.68
+Nc1nc2c(cnn2-c2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL16509,6.92
+Nc1nc2c(cnn2CCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17121,6.3
+Nc1nc2c(cnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,CHEMBL17302,6.72
+Nc1nc2c(cnn2CCCCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL273590,5.57
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL98603,6.48
+CCCC/C=C/c1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113528,6.6
+CCCC/C=C\c1nc(N)c2ncn(C3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1,CHEMBL611256,6.02
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/c4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL2113526,6.93
+CCCC/C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113527,6.21
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,CHEMBL128173,4.955
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,CHEMBL2112664,4.92
+O=C(Nc1nc(-c2ccccn2)cs1)C1CCCC1,CHEMBL162808,6.04
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL305322,7.49
+O=C(Nc1nc(-c2ccccc2)ns1)C1CCC(O)CC1,CHEMBL167985,7.54
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3ccccc23)cc1,CHEMBL167627,5.74
+CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL161981,5.24
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1,CHEMBL165783,7.51
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1,CHEMBL164087,5.77
+O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1,CHEMBL164422,6.03
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1,CHEMBL349715,5.8
+O=C(Nc1nc(-c2ccccc2)ns1)C1CCCCC1,CHEMBL164782,5.85
+O=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL354004,7.0
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL60156,7.12
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(I)cc1,CHEMBL352267,5.62
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1,CHEMBL353651,7.52
+COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL165784,5.49
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1,CHEMBL162033,5.82
+Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL348973,5.8
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(O)cc1,CHEMBL164745,8.14
+COc1ccc(C(=O)Nc2cc(-c3ccccc3)ncn2)cc1,CHEMBL162000,6.7
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1,CHEMBL165741,7.39
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1,CHEMBL351051,6.7
+O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1,CHEMBL163040,5.77
+O=C(Nc1nc(-c2ccccc2)cc2ccccc12)c1ccccc1,CHEMBL163248,5.92
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1,CHEMBL62075,5.52
+O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)ns1,CHEMBL167391,6.0
+CCSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113428,6.14
+CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113429,5.23
+CC(C)SC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113425,7.39
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O,CHEMBL2113422,6.57
+CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2113427,6.21
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL104580,8.1
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCC(Sc5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL88439,9.05
+OC[C@H]1OC(n2cnc3c(NN4CCOCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL607753,6.95
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL313306,8.095
+OC[C@H]1OC(n2cnc3c(NN4CCCCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL610970,7.15
+OC[C@@H](Cc1ccccc1)Nc1nc(I)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610401,6.0
+OC[C@H](Cc1ccccc1)Nc1nc(I)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL611882,7.64
+OC[C@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610971,8.62
+OC[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL612197,6.34
+CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)c1ccccc1,CHEMBL321536,8.57
+CC(C)C[C@@H](CO)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL607752,6.86
+CC(C)C[C@H](CO)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL608330,6.65
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL423315,8.387
+OC[C@H]1OC(n2cnc3c(NN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610681,4.81
+O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12,CHEMBL26260,5.06
+COc1cc2c3c(c1)c1cc4c(cc1c(=O)n3CC2)OCO4,CHEMBL351895,5.26
+CCn1c2c(c3cc4c(cc3c1=O)OCO4)C(=O)CCC2,CHEMBL351246,5.12
+COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C,CHEMBL349609,4.9
+O=C1c2ccccc2-c2cc3c(cc21)OCO3,CHEMBL348920,5.05
+COC1C=CC23c4cc5c(cc4C[N+](C)(CC2OC(C)=O)C3C1)OCO5,CHEMBL439648,4.28
+O=C1c2cc(O)c(O)cc2C2c3ccc(O)c(O)c3OCC12O,CHEMBL351186,5.51
+Cc1ccc(-c2cc(=O)c3c(C)c(C)c(C)cc3o2)cc1,CHEMBL168080,5.89
+COc1cc2c3c(oc(=O)c2cc1OC)CCCC3=O,CHEMBL165387,5.15
+OC[C@H]1C[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL71385,4.59
+CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL337503,5.82
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1,CHEMBL436180,4.5
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1,CHEMBL335740,4.94
+CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1,CHEMBL340552,4.06
+CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1,CHEMBL336629,4.11
+CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C,CHEMBL337088,4.84
+CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL293811,7.08
+C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL57983,7.31
+C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O,CHEMBL57362,6.31
+C[C@H](COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL326838,7.0
+O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NN4CCC(Sc5ccccc5)CC4)nc(Cl)nc32)[C@@H]1O,CHEMBL117974,8.44
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O,CHEMBL116903,8.51
+CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21,CHEMBL117904,7.12
+C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL327073,7.82
+CC(COc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL115471,7.37
+C[C@H](CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2112564,8.0
+Cc1nnc2c(C)c3[nH][nH]c(C)c3cc12,CHEMBL431370,5.92
+CCn1nc(C)c2cc3c(C)nn(CC)c3cc21,CHEMBL63012,4.57
+CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c21,CHEMBL64784,4.7
+Cc1nnc2c([N+](=O)[O-])c3[nH][nH]c(C)c3cc12,CHEMBL293427,5.72
+Cc1nn(C)c2c(C)c3c(cc12)c(C)nn3C,CHEMBL303792,4.27
+CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc21,CHEMBL64573,4.98
+Cc1nnc2cc3[nH][nH]c(C)c3cc12,CHEMBL61562,5.1
+CCCn1c(=O)c2c(nc(C3CCCC3)n2C)n(CCC)c1=O,CHEMBL22099,5.64
+CCCn1c(=O)c2c(nc(C3CCCCC3)n2C)n(CCC)c1=O,CHEMBL22042,5.475
+Cn1c(=O)c2[nH]c(C3CCCCC3)nc2n(C)c1=O,CHEMBL321505,7.175
+Cn1c(=O)c2c(nc(C3CCCC3)n2C)n(C)c1=O,CHEMBL418375,4.655
+CCCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(CCC)c1=O,CHEMBL20483,5.065
+Cn1c(=O)[nH]c(=O)c2[nH]cnc21,CHEMBL619,4.46
+Cn1c(=O)c2c(nc(-c3ccc(C(=O)O)cc3)n2C)n(C)c1=O,CHEMBL20844,4.21
+CCCn1c(=O)c2c(nc(-c3ccc(C(=O)O)cc3)n2C)n(CCC)c1=O,CHEMBL278104,5.32
+CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)nc21,CHEMBL280367,4.24
+CCCn1c(=O)c2c(nc(-c3ccc(C(=O)OC)cc3)n2C)n(CCC)c1=O,CHEMBL21554,5.51
+COC(=O)c1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CHEMBL21172,4.37
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CC)c1=O,CHEMBL305765,7.92
+CCC(=O)OCOc1ccc(-c2nc3c([nH]2)c(=O)n(CC)c(=O)n3CC)cc1,CHEMBL307313,6.85
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)cc3)nc2n(CC)c1=O,CHEMBL66919,6.74
+CCNC(=O)COc1ccc(-c2nc3c([nH]2)c(=O)n(CC)c(=O)n3CC)cc1,CHEMBL66053,7.24
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc3)nc2n(CCC)c1=O,CHEMBL70059,9.06
+CCn1c(=O)c2[nH]c(-c3ccc(OCOC(=O)C(C)C)cc3)nc2n(CC)c1=O,CHEMBL305212,7.05
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)nc2n(C)c1=O,CHEMBL70188,7.38
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc3)nc2n(CC)c1=O,CHEMBL68756,8.03
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OC)cc4)cc3)nc2n(CC)c1=O,CHEMBL67389,7.24
+Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(C)c1=O,CHEMBL66523,7.89
+CCCn1c(=O)c2[nH]c(-c3ccc(OCOC(=O)CC)cc3)nc2n(CCC)c1=O,CHEMBL66207,7.89
+CCCCn1c(=O)[nH]c2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1=O,CHEMBL35094,6.32
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)[nH]c2c1=O,CHEMBL37875,7.74
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)OC)cc3)[nH]c2c1=O,CHEMBL284288,7.82
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2c1=O,CHEMBL289516,7.04
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37621,6.84
+CCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL35701,7.74
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2c1=O,CHEMBL37082,7.09
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)[nH]c2c1=O,CHEMBL37726,7.62
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL416417,7.46
+CCCCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL34762,7.89
+CCCn1c(=O)c2[nH]c(-c3ccc(Br)cc3)nc2n(CCC)c1=O,CHEMBL40055,8.24
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL38304,7.43
+CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O,CHEMBL2113345,6.68
+CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2c1=O,CHEMBL288459,7.62
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL416963,7.82
+C#CCn1c(=O)[nH]c2nc(-c3ccc(Br)cc3)[nH]c2c1=O,CHEMBL286527,7.22
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(=O)OCC)CC4)cc3)[nH]c2c1=O,CHEMBL37933,7.7
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL34543,7.77
+CCCn1c(=O)[nH]c2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2c1=O,CHEMBL286350,6.96
+CCCn1c(=O)c2[nH]c(-c3ccc(I)cc3)nc2n(CCC)c1=O,CHEMBL36963,8.68
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2c1=O,CHEMBL38193,7.39
+CCCn1c(=O)[nH]c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c2c1=O,CHEMBL37987,7.17
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)[nH]c2c1=O,CHEMBL37050,7.52
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](Cc4cccs4)NC(=O)OC(C)(C)C)cc3)nc2n(CCC)c1=O,CHEMBL54391,7.77
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC)cc3)nc2n(CCC)c1=S,CHEMBL293102,8.62
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=S,CHEMBL294185,8.57
+CCn1c(=S)c2[nH]c(-c3ccccc3)nc2n(CC)c1=O,CHEMBL56952,6.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc3)nc2n(CCC)c1=O,CHEMBL553037,9.06
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN(C)C)cc3)nc2n(CCC)c1=O,CHEMBL59084,8.55
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)cc3)nc2n(CCC)c1=S,CHEMBL444575,7.08
+Cn1c(=O)c2[nH]c(-c3ccco3)nc2n(C)c1=O,CHEMBL293337,6.46
+Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=S,CHEMBL292157,7.42
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)OCC)cc3)nc2n(CCC)c1=S,CHEMBL56018,8.17
+Cn1c(=O)c2[nH]c(-c3ccco3)nc2n(C)c1=S,CHEMBL59585,6.74
+Cn1c(=O)c2[nH]c(-c3cccs3)nc2n(C)c1=S,CHEMBL52067,6.66
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)CCN(C)C)cc3)nc2n(CCC)c1=O,CHEMBL52993,9.03
+Cn1c(=O)c2[nH]c(-c3cccs3)nc2n(C)c1=O,CHEMBL298625,6.63
+CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=S,CHEMBL59488,7.79
+CCCn1c(=S)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O,CHEMBL56751,7.81
+CCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCC)c1=S,CHEMBL55356,7.49
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4cccs4)cc3)nc2n(CCC)c1=O,CHEMBL56399,7.74
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(C)CCN(C)C)cc3)nc2n(CCC)c1=S,CHEMBL56076,8.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN(C)C)cc3)nc2n(CCC)c1=S,CHEMBL408489,8.59
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc3)nc2n(CCC)c1=S,CHEMBL552985,7.89
+CCCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCC)c1=S,CHEMBL56813,7.45
+Cn1c(=O)c2[nH]c(-c3ccsc3)nc2n(C)c1=O,CHEMBL439747,6.82
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC)cc3)nc2n(CCC)c1=O,CHEMBL56610,7.82
+Cn1c(=S)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CHEMBL292016,5.86
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=S,CHEMBL292904,9.18
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=S,CHEMBL294463,7.27
+Cn1c(=O)c2[nH]c(-c3ccoc3)nc2n(C)c1=O,CHEMBL417607,7.14
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc4ccccc4)cc3)nc2n(CCC)c1=S,CHEMBL55340,8.05
+Cn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=S,CHEMBL432517,7.99
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc4cccs4)cc3)nc2n(CCC)c1=O,CHEMBL54848,8.13
+Cn1c(=S)c2[nH]c(C3CCCC3)nc2n(C)c1=O,CHEMBL52810,6.69
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc4ccccc4)cc3)nc2n(CCC)c1=O,CHEMBL57290,8.19
+CCCn1c(=S)c2[nH]c(C3CCCC3)nc2n(CCC)c1=S,CHEMBL52753,8.31
+Cn1c(=S)c2[nH]c(C3CCCC3)nc2n(C)c1=S,CHEMBL298565,7.39
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(I)s4)cc3)nc2n(CCC)c1=O,CHEMBL55341,7.95
+O=C(O)Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL605246,6.68
+Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL604003,8.77
+CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)C,CHEMBL606511,7.89
+NNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL605047,8.35
+CNC(=O)Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL606297,7.8
+Cc1ccccc1NC(=O)Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL605460,8.17
+CC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL605875,8.03
+CCOC(=O)CNC(=O)Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL604417,7.82
+O=C(CCc1ccc(O)cc1)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL604629,8.35
+CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL604631,8.17
+Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1,CHEMBL606513,8.7
+COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)F,CHEMBL605043,7.74
+O=C(Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccc(C(F)(F)F)cc1,CHEMBL604626,8.48
+COC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL604839,8.6
+O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1,CHEMBL605671,7.94
+CC(O)CNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603785,8.3
+Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603994,5.59
+OC[C@H]1OC(n2cnc3c(NC4CCCCC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606071,7.27
+OC[C@H]1OC(n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603786,7.17
+CC(Cc1ccccc1)Nc1nc(Sc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603992,6.68
+CC(O)CNc1nc(Nc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL604619,7.3
+Nc1nc(NC2CCCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL606496,7.71
+O=S(=O)(c1ccccc1)c1nc(NCc2cccc3ccccc23)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL604621,5.7
+OC[C@H]1OC(n2cnc3c(NCC4c5ccccc5-c5ccccc54)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604409,5.05
+Nc1nc(NCC2c3ccccc3-c3ccccc32)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL604830,7.73
+OC[C@H]1OC(n2cnc3c(NC4CC5CCC4C5)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603995,8.11
+OC[C@H]1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603352,5.57
+COc1cc(OC)cc(C(CNc2nc(Nc3ccccc3)nc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2)c1,CHEMBL603572,5.05
+OC[C@H]1OC(n2cnc3c(NCc4cccc5ccccc45)nc(NCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL606494,6.28
+O=S(=O)(c1ccccc1)c1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL605068,7.02
+OC[C@H]1OC(n2cnc3c(NC4CCCC4)nc(Sc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605235,7.43
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(NC4CCCCC4)nc32)[C@H](O)[C@@H]1O,CHEMBL341031,4.35
+Nc1nc(Sc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL605024,5.66
+COc1ccc(-c2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL605025,5.88
+Nc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL604861,7.21
+OC[C@H]1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Sc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603787,6.08
+CC(Cc1ccccc1)Nc1nc(N)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603991,7.72
+OC[C@H]1OC(n2cnc3c(NCCc4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605451,5.79
+COc1cc(OC)cc(C(CNc2nc(Nc3ccccc3)nc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1,CHEMBL604825,4.99
+O=S(=O)(c1ccccc1)c1nc(NC2CCCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL605661,6.38
+OC[C@H]1OC(n2cnc3c(NC4CCCC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605035,7.91
+OC[C@H]1OC(n2cnc3c(NCc4cccc5ccccc45)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL603353,6.25
+OC[C@H]1OC(n2cnc3c(NCc4ccccc4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604616,5.79
+OC[C@H]1OC(n2cnc3c(NCc4cccc5ccccc45)nc(F)nc32)[C@H](O)[C@@H]1O,CHEMBL605859,7.74
+OC[C@H]1OC(n2cnc3c(NCc4cccc5ccccc45)nc(Sc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL604206,5.83
+OC[C@H]1OC(n2cnc3c(NC4CCCCC4)nc(Sc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605450,6.8
+OC[C@H]1OC(n2cnc3c(NN4CCCC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL605238,4.74
+CC(Cc1ccccc1)Nc1nc(Nc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL603568,6.82
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1,CHEMBL136689,5.74
+CC(c1ccccc1)N1C(=O)C2(CCCC2)c2c1[nH]cnc2=O,CHEMBL314104,5.47
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccc(Cl)cc3)nc(N)c12,CHEMBL85254,6.06
+Cc1ccc([C@H](C)n2c3ccccc3c3c(N)nc(-c4ccccc4)nc32)cc1,CHEMBL84996,6.53
+C[C@H](c1ccccc1)N1C(=O)C2(CCCC2)C2=C1NC(c1ccccc1)=NC2N,CHEMBL83682,6.74
+C[C@@H](Cn1c2ccccc2c2c(N)nc(-c3ccccc3)nc21)c1ccccc1,CHEMBL2112308,6.24
+Cc1c(C)n([C@H](C)c2ccccc2)c2[nH]c(-c3ccccc3)nc(=O)c12,CHEMBL309512,5.53
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12,CHEMBL83863,8.12
+CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc21,CHEMBL84331,5.95
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21,CHEMBL79415,8.59
+C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21,CHEMBL309511,7.19
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12,CHEMBL311341,5.74
+Cc1c(C)n([C@H](C)c2ccccc2)c2ncnc(N[C@H](C)c3ccccc3)c12,CHEMBL83555,5.58
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12,CHEMBL316202,6.56
+Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12,CHEMBL310097,6.31
+C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21,CHEMBL2114186,6.49
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12,CHEMBL79980,8.02
+Nc1nc(-c2ccccc2)nc2c1c1ccccc1n2-c1ccccc1,CHEMBL312629,7.66
+Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H](C)c3ccccc3)c2c1C,CHEMBL79386,6.19
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12,CHEMBL311675,6.48
+Cc1ccc([C@@H](C)n2c3ccccc3c3c(N)nc(-c4ccccc4)nc32)cc1,CHEMBL310728,7.85
+COc1ccc(-c2nc(N)c3c(C)c(C)n([C@H](C)c4ccccc4)c3n2)cc1,CHEMBL311470,7.0
+O=C1N(c2ccccc2)c2[nH]cnc(=O)c2C12CCCC2,CHEMBL312619,5.89
+Cc1c(C)n([C@@H](C)c2ccccc2)c2ncnc(N[C@@H](C)c3ccccc3)c12,CHEMBL312156,5.6
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)cc3)nc(N)c12,CHEMBL311870,7.3
+COc1cccc(-c2nc(N)c3c(C)c(C)n([C@H](C)c4ccccc4)c3n2)c1,CHEMBL311664,7.08
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=S,CHEMBL82589,9.72
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CC5CC(CC3C5)C4)[nH]c21,CHEMBL116486,9.25
+CCCn1c(=O)c2[nH]c(C3CC4CCCC4C3)nc2n(CCC)c1=O,CHEMBL84144,9.12
+O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1,CHEMBL61222,7.07
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL294175,7.44
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl,CHEMBL61381,7.24
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1,CHEMBL293437,7.23
+CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL293635,5.87
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1,CHEMBL61836,7.48
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1,CHEMBL59978,6.78
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1,CHEMBL60334,7.41
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1,CHEMBL62078,7.74
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1,CHEMBL60027,7.66
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCN(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL89572,7.26
+CC1CCCC(C)N1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL430459,8.4
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC4)nc(I)nc32)[C@H](O)[C@@H]1O,CHEMBL91894,4.89
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCC4c4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL92210,7.47
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCC(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL413506,7.96
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCC(Oc5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL88815,8.85
+COC[C@@H]1CCCN1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL328097,8.0
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCC4)nc(F)nc32)[C@H](O)[C@@H]1O,CHEMBL316112,8.44
+CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL329189,6.41
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCC4)nc(Br)nc32)[C@H](O)[C@@H]1O,CHEMBL88841,8.03
+OC[C@H]1O[C@@H](n2cnc3c(NN4CC=C(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL91304,8.21
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC(Sc5ccccc5)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL314730,7.89
+COC[C@H]1CCCN1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL433009,7.96
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC(Oc5ccccc5)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL92311,7.82
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC(O)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL327195,7.96
+CN1CCN(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1,CHEMBL89543,6.74
+O=S(=O)(c1ccccc1)C1CCN(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1,CHEMBL88963,7.77
+OC[C@H]1O[C@@H](n2cnc3c(NN4CCCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL88911,8.03
+Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL264013,7.52
+CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL91780,6.4
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N[C@@H](C)c3ccccc3)c12,CHEMBL2112817,4.74
+Nc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL142587,6.22
+C[C@H](c1ccccc1)n1c2c(c3c(N)nc(-c4cc[n+]([O-])cc4)nc31)CCCC2,CHEMBL2112808,5.73
+Cc1[nH]c2nc(C(C)c3ccccc3)nc(N)c2c1C,CHEMBL142762,5.16
+C[C@@H](c1ccccc1)n1c2c(c3c(N)nc(-c4ccccn4)nc31)CCCC2,CHEMBL357838,5.16
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cc[n+]([O-])cc3)nc(N)c12,CHEMBL342281,6.31
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3O)nc(N)c12,CHEMBL439618,6.62
+CCC(CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1,CHEMBL143586,5.59
+C[C@H](c1ccccc1)n1c2c(c3c(N)nc(-c4cccnc4)nc31)CCCC2,CHEMBL2112818,5.89
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccn3)nc(N)c12,CHEMBL140926,5.68
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccs3)nc(N)c12,CHEMBL341573,7.72
+COC(=O)/C=C\Nc1cc(-c2ccncc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1,CHEMBL2112806,5.52
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccncc3)nc21,CHEMBL2112805,7.68
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3cccs3)nc21,CHEMBL2112821,7.44
+CCC(CO)Nc1nc(-c2ccccc2)nc2c1c(C)c(C)n2C1CCCC1,CHEMBL142815,5.91
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cnccn3)nc(N)c12,CHEMBL359238,6.25
+C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccn3)nc21,CHEMBL143749,6.27
+Nc1nc(-c2cccnc2)nc2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL142539,5.1
+Nc1nc(-c2ccccn2)nc2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL341650,5.05
+Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12,CHEMBL142962,7.8
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3cccnc3)nc21,CHEMBL2112814,7.04
+Nc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113561,7.2
+Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,CHEMBL1256714,7.85
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113562,5.31
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(SC)nc32)[C@H](O)[C@@H]1O,CHEMBL2113557,5.67
+CCCCn1c(=O)c2[nH]cnc2n(Cc2ccccc2)c1=O,CHEMBL320786,6.18
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CNCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL112669,7.44
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL114886,4.65
+CCCCn1c(=O)c2[nH]c(CCC(=O)O)nc2n(CCCC)c1=O,CHEMBL115608,5.15
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL114760,7.14
+CCCCCCn1c(=O)c2[nH]cnc2n(CCCCCC)c1=O,CHEMBL68660,5.9
+CCCCn1c(=O)c2[nH]c(/C=C/C(=O)O)nc2n(CCCC)c1=O,CHEMBL113986,5.47
+Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(C)c1=S,CHEMBL114745,5.24
+CCCCn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(CCCC)c1=O,CHEMBL324036,4.85
+CCCCn1c(=O)c2c(nc(/C=C/C(=O)O)n2C)n(CCCC)c1=O,CHEMBL327016,5.23
+Cn1c(=O)c2c(nc(/C=C/c3cccc(NC(=O)CCCCC(=O)O)c3)n2C)n(C)c1=O,CHEMBL325948,5.19
+CCCCn1c(=O)c2[nH]cnc2n(CCCC)c1=O,CHEMBL114770,6.3
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL419403,7.11
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)OCN(CC(=O)O)C(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2n(CCC)c1=O,CHEMBL114975,7.72
+CCCCn1c(=O)c2c(nc(/C=C/C(=O)OC)n2C)n(CCCC)c1=O,CHEMBL333143,6.1
+CCCCn1c(=O)c2[nH]c(CCCCC(=O)O)nc2n(CCCC)c1=O,CHEMBL116874,5.28
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CN(CC(=O)O)C(=O)CCC(=O)O)cc3)nc2n(CCC)c1=O,CHEMBL112034,5.54
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL609240,4.43
+CCCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCCC)c1=O,CHEMBL607784,4.95
+CCCCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCCCC)c1=O,CHEMBL610662,4.51
+CCCCn1c(=O)n(C(=O)c2ccccc2)c(=O)c2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL610700,5.76
+CCCCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCCCC)c1=O,CHEMBL611863,5.01
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)N(C)C)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610372,5.04
+CCCCn1c(=O)c2c(ncn2C2O[C@H](OC(C)=O)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL608647,5.43
+CCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCC)c1=O,CHEMBL610702,4.8
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(N)=O)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL608657,5.51
+CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610956,5.21
+CCCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCCC)c1=O,CHEMBL610095,5.06
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL610417,5.38
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCC)c1=S,CHEMBL608956,5.65
+Cn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(C)c1=O,CHEMBL610675,5.57
+CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)n(Cc2ccccc2)c1=O,CHEMBL608945,5.66
+Nc1nc2c(cnn2CCCc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL423852,5.84
+Nc1nc2c(cnn2CCCc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL67026,6.13
+Nc1nc2c(cnn2CCCc2ccc3c(c2)OCO3)c2nc(-c3ccco3)nn12,CHEMBL307748,5.73
+Nc1nc2c(cnn2CCCc2ccc(O)c(O)c2)c2nc(-c3ccco3)nn12,CHEMBL63520,5.65
+Nc1nc2c(cnn2Cc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,CHEMBL66811,5.02
+COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1OC,CHEMBL69794,5.55
+Nc1nc2c(cnn2CCc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL67994,6.35
+Nc1nc2c(cnn2Cc2ccc(O)cc2)c2nc(-c3ccco3)nn12,CHEMBL416684,4.87
+Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12,CHEMBL286947,5.49
+COc1ccc2c(=O)c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3oc2c1,CHEMBL26473,6.51
+Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(O)ccc3c(=O)c12,CHEMBL26636,6.44
+Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12,CHEMBL27448,5.71
+COc1ccc2c(=O)c3c(C)nn(-c4ccccc4)c3oc2c1,CHEMBL28263,6.34
+Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12,CHEMBL286479,6.11
+Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12,CHEMBL27773,6.28
+COc1cccc(-n2cnc3nc4ccccc4nc32)c1,CHEMBL281888,5.29
+Cc1nn(-c2ccccc2)c2[nH]c3ccccc3c(=O)c12,CHEMBL27070,5.48
+Cc1nn(-c2ccccc2)c2oc3cc(O)ccc3c(=O)c12,CHEMBL283260,6.66
+COc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1,CHEMBL26991,7.05
+Oc1cccc(-n2cnc3nc4ccccc4nc32)c1,CHEMBL285104,5.58
+COc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)c1,CHEMBL26488,6.6
+Cc1nn(-c2ccc(Cl)c(N)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL283478,5.35
+Cc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL282806,5.65
+Cc1nn(-c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL27170,6.33
+Cc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12,CHEMBL441419,6.47
+Cc1nn(-c2cccc(N)c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12,CHEMBL27431,4.8
+CCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1,CHEMBL282980,6.7
+COc1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1,CHEMBL27825,6.57
+Cc1nn(-c2cccc(N)c2)c2[nH]c3ccccc3c(=O)c12,CHEMBL27935,4.74
+Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3ccc(O)cc3c(=O)c12,CHEMBL413254,6.42
+Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3ccc(Br)cc3c(=O)c12,CHEMBL25753,5.46
+O=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1,CHEMBL280997,6.62
+Cc1nn(-c2ccc(Cl)c(N)c2)c2oc3ccccc3c(=O)c12,CHEMBL27436,6.03
+COc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1,CHEMBL27876,6.59
+Cc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12,CHEMBL281327,6.19
+Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc21,CHEMBL2113707,5.26
+CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1,CHEMBL2113685,5.87
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]2OC(=S)O[C@H]12,CHEMBL2113701,6.75
+CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1,CHEMBL48461,5.35
+Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc21,CHEMBL2113686,6.08
+CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113693,6.19
+CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1,CHEMBL2113397,6.18
+CNC(=O)[C@@H]1C[C@H]([N-][N+]#N)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113698,6.4
+CNC(=O)[C@@H]1C[C@H](N)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL439976,5.17
+CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113699,6.11
+CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1,CHEMBL2113695,4.18
+C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2112077,4.72
+O=C(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1cccc(I)c1,CHEMBL49758,6.76
+Cn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113690,5.24
+O=C(Nc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@H]1O)c1cccc(I)c1,CHEMBL2113415,6.09
+CNC(=O)[C@@H]1C[C@@H](F)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113694,5.85
+CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113697,5.89
+N#CCCCn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113704,5.22
+CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21,CHEMBL50378,6.34
+Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL2113702,6.35
+OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113688,4.86
+CNC(=O)[C@H]1C[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2094002,4.44
+CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113692,5.83
+CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1,CHEMBL47437,6.48
+CNC(=O)[C@@H]1CC[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)O1,CHEMBL2113696,4.94
+OCCn1cnc2c(NCc3cccc(I)c3)ncnc21,CHEMBL2113689,4.64
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,CHEMBL2112076,4.62
+COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113691,6.3
+CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1,CHEMBL2113687,5.72
+CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1,CHEMBL2113703,5.99
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL2113400,6.09
+Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc21,CHEMBL2113700,5.25
+Nc1nc(N/N=C/C=C/c2ccco2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113555,5.78
+Cc1ccc(/C=N/Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL611571,5.75
+Nc1nc(N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113556,6.28
+CN(C)c1ccc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113553,7.0
+COc1ccccc1/C=C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL2113554,6.58
+COc1ccc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2113560,6.37
+Nc1nc(N/N=C/C=C(c2ccccc2)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113552,7.19
+Nc1nc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113558,6.03
+COc1cc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O,CHEMBL2113559,6.26
+Nc1nc(N/N=C/C=C/c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113563,5.98
+Nc1nc(N/N=C/c2ccco2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113564,5.73
+CCCCCCCCCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL608905,6.57
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)cc3)nc2n(CCC)c1=O,CHEMBL297922,7.92
+CC(C)C(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)C(C)C,CHEMBL181266,8.1
+CCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)CC,CHEMBL181267,7.48
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccccc1,CHEMBL183181,7.39
+Nc1nc(C#CC(O)c2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL181268,5.62
+Nc1nc(C#CC(O)(c2ccccc2)C(F)(F)F)cn2nc(-c3ccco3)nc12,CHEMBL181689,5.66
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1,CHEMBL359463,7.0
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccncc1,CHEMBL360136,6.77
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc([N+]2=CC=NC2)cc1,CHEMBL182486,6.96
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1csc2ccccc12,CHEMBL182286,6.47
+Nc1nc(C#CC(O)c2csc3ccccc23)cn2nc(-c3ccco3)nc12,CHEMBL362031,7.14
+CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc(O)cc1,CHEMBL361819,7.18
+Nc1nc(C#CC(O)C2(O)CCCC2)cn2nc(-c3ccco3)nc12,CHEMBL180887,7.14
+Nc1nc(C#CC(O)C2(O)CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL367572,7.96
+Nc1nc(C#CC(O)C2(O)CCC2)cn2nc(-c3ccco3)nc12,CHEMBL183674,8.6
+Nc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL361209,6.28
+Nc1nc(C#CCOc2ccc(F)c(Cl)c2)cn2nc(-c3ccco3)nc12,CHEMBL2113017,5.37
+Nc1nc(C#CCOc2cccnc2)cn2nc(-c3ccco3)nc12,CHEMBL180750,6.96
+Cn1nc(OCC#Cc2cn3nc(-c4ccco4)nc3c(N)n2)cc1C(F)(F)F,CHEMBL2113018,5.74
+CC(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)OC(C)(C)C,CHEMBL183518,7.02
+Nc1nc(C#CC2(N)CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL182612,7.46
+Nc1nc(C#CCC2CCCCC2)cn2nc(-c3ccco3)nc12,CHEMBL179947,6.17
+CC(C)CCC(C)(O)C#Cc1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL426053,7.62
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)c4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@@H]1O,CHEMBL609341,7.8
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL610326,6.53
+CCNC(O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL1791443,6.05
+CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)ncnc32)[C@@H](O)[C@H]1O,CHEMBL609340,6.14
+CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(OC)cc4)nc(C#CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,CHEMBL610601,4.84
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CC2=CC(C)(C)N([O])C2(C)C)c1=O,CHEMBL607303,8.26
+CCCn1c(=O)c2[nH]c(C3=CC(C)(C)N([O])C3(C)C)nc2n(CCC)c1=O,CHEMBL607302,8.08
+CCCn1c(=O)c2[nH]c(C3CC(C)(C)N([O])C(C)(C)C3)nc2n(CCC)c1=O,CHEMBL607024,6.8
+CCCc1c(O)c2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2[nH]c1=O,CHEMBL607025,7.8
+CCCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)[nH]c2c1=O,CHEMBL2112962,7.39
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(Cc2ccccc2)c1=O,CHEMBL362604,8.06
+Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12,CHEMBL113142,6.17
+Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(-c3ccco3)nn12,CHEMBL177943,6.0
+Nc1nc(N2CCN(Cc3cscn3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL360178,6.14
+Nc1nc(N2CCN(Cc3cc4ccccc4o3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188898,6.19
+Cn1cc(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c(Cl)n1,CHEMBL189453,6.38
+Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl,CHEMBL189192,5.96
+Nc1nc(N2CCN(Cc3ccccn3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL361680,5.57
+Nc1nc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL187586,6.17
+Nc1nc(N2CCN(Cc3ccnc4ccccc34)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186023,5.13
+Nc1nc(N2CCN(Cc3cnc4ccccc4c3)CC2)nc2nc(-c3ccco3)nn12,CHEMBL361275,6.17
+Nc1nc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL185967,6.6
+Cc1ccc2nc(Cl)c(CN3CCN(c4nc(N)n5nc(-c6ccco6)nc5n4)CC3)cc2c1,CHEMBL186027,6.44
+Nc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186046,5.35
+Nc1nc(N2CCN(Cc3c(Cl)ccc(Cl)c3Cl)CC2)nc2nc(-c3ccco3)nn12,CHEMBL188424,6.08
+Nc1nc(N2CCN(Cc3c(F)ccc(F)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL187366,5.82
+Nc1nc(N2CCN(Cc3c(F)ccc(Cl)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL359772,5.89
+Nc1nc(N2CCN(Cc3c(Cl)ccc(F)c3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL186022,6.3
+Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,CHEMBL184061,5.96
+CN(CCN1CCN(c2ccccc2)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL184678,5.82
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL184309,6.09
+Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12,CHEMBL361687,5.59
+CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL363660,6.12
+CN(CCN1CCN(c2c(F)cc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1,CHEMBL187071,6.1
+CC(C)NC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL372616,6.54
+CN(C)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL425917,6.92
+CCN(CC)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1,CHEMBL196320,7.39
+Nc1nc(-c2cccc(C(=O)N3CCN(c4ccncc4)CC3)c2)cn2nc(-c3ccco3)nc12,CHEMBL196104,8.52
+Nc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2nc(-c3ccco3)nc12,CHEMBL383568,5.74
+Nc1nc(-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cn2nc(-c3ccco3)nc12,CHEMBL196729,7.44
+CCCCNC(=O)c1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL426821,6.92
+Nc1nc(C(=O)NCc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL363377,7.85
+CN(Cc1ccccc1)C(=O)c1cn2nc(-c3ccco3)nc2c(N)n1,CHEMBL197249,6.8
+Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12,CHEMBL373026,6.49
+Nc1nc(C(=O)NCCCc2ccccc2)cn2nc(-c3ccco3)nc12,CHEMBL363647,6.62
+CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,CHEMBL573937,7.76
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)nc2n(C)c1=O,CHEMBL213878,7.19
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCO)cc3)nc2n(C)c1=O,CHEMBL377106,7.01
+CCCCNS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL208550,7.57
+Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2n(C)c1=O,CHEMBL210585,7.92
+CC(C)NS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CHEMBL212626,7.12
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL212625,6.59
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209366,8.74
+CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3[nH]c(=O)n(CCC)c(=O)c3[nH]2)cc1,CHEMBL377246,8.26
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2c1=O,CHEMBL212217,7.0
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCO)cc3)[nH]c2c1=O,CHEMBL378102,7.35
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL211521,8.0
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)[nH]c2c1=O,CHEMBL209230,8.34
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL450341,8.22
+CCCN1C(=O)N2C[C@@H](Cc3ccccc3)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216873,6.15
+CCCN1C(=O)N2C[C@@H](c3ccccc3)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL217112,7.17
+CCCN1C(=O)N2C[C@@H](C(C)(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL218132,6.81
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL216269,8.4
+CCCN1C(=O)N2C[C@H](C(C)CC)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL2113246,7.85
+CCCN1C(=O)N2C[C@@H](CC(C)C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL387308,6.77
+CCC[C@@H]1CN2C(=O)N(CCC)c3[nH]c(C45CCC(O)(CC4)CC5)nc3C2=N1,CHEMBL217218,7.37
+CCCN1C(=O)N2C[C@@H](C)N=C2c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL384279,8.0
+CCCN1C(=O)N2C(=NC[C@@H]2C)c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL439352,7.16
+CCCN1C(=O)N2C(=NC[C@H]2C)c2nc(C34CCC(O)(CC3)CC4)[nH]c21,CHEMBL386095,7.29
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c21,CHEMBL217806,7.4
+CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL216200,7.98
+CCCN1C(=O)N2C[C@@H](CC)N=C2c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c21,CHEMBL217268,8.08
+CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL218458,9.22
+CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL414157,8.927
+CCCn1c(=O)c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL217179,8.11
+CCCn1c(=O)c2[nH]c([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)nc2n(CCC)c1=O,CHEMBL216750,9.15
+CCCn1c(=O)c2[nH]c(C34CCC(CCCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL264070,8.4
+CCCn1c(=O)c2[nH]c(C34CCC(CC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,CHEMBL425457,7.65
+Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12,CHEMBL222868,5.8
+Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222145,5.82
+Nc1nc(N2CCN3C[C@@H](CN(Cc4ccncc4)Cc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221573,5.22
+Nc1nc(N2CCN3C[C@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222478,5.11
+Nc1nc(N2CCN3C[C@@H](CNCc4ccc(F)cc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222097,5.96
+Nc1nc(N2CCN3C[C@@H](Cn4ccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373560,5.92
+Nc1nc(N2CCN3C[C@@H](COc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222784,5.85
+Nc1nc(N2CCN3C[C@H](COc4cc5ccccc5cn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222783,6.15
+Nc1nc(N2CCN3C[C@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222731,6.68
+Nc1nc(N2CCN3C[C@@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222590,5.46
+Nc1nc(N2CCN3C[C@@H](COc4ccc5ncccc5c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL374881,5.46
+Nc1nc(N2CCN3C[C@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL221772,6.02
+Nc1nc(N2CCN3C[C@@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL373700,5.48
+Nc1nc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)nc2nc(-c3ccco3)nn12,CHEMBL221615,5.89
+NC[C@@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1,CHEMBL222589,5.46
+Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL222266,5.21
+Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL376712,6.18
+Nc1nc(N2CCN3CCC[C@@H]3C2)nc2nc(-c3ccco3)nn12,CHEMBL2096850,5.92
+Nc1nc(N2CCN3CCC[C@@H]3C2)cc2nc(-c3ccco3)nn12,CHEMBL426738,5.965
+Nc1nc(N2CCN3CCCCC3C2)nc2nc(-c3ccco3)nn12,CHEMBL439141,6.07
+O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL242849,5.83
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL441145,4.6
+COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL392941,5.41
+Cn1c(=O)c2c(nc3n2CCCN3CC(O)c2ccccc2)n(C)c1=O,CHEMBL392909,4.6
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)cc2)n(C)c1=O,CHEMBL239230,5.355
+CC(=O)OC(CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C)c1ccccc1,CHEMBL392116,4.6
+CC(=O)OC(c1ccccc1)C(C)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL239016,5.47
+CC(C(O)c1ccccc1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL392115,4.6
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O,CHEMBL391718,5.37
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(CCC)c1=O,CHEMBL239234,5.75
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(CCC)c1=O,CHEMBL391717,6.09
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O,CHEMBL239233,6.21
+Cn1c(=O)c2c(nc3n2CCCN3CCCc2ccccc2)n(C)c1=O,CHEMBL391716,5.7
+Cn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(C)c1=O,CHEMBL239232,4.6
+Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2Cl)n(C)c1=O,CHEMBL393588,5.46
+CC(=O)Nc1ccc(OCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL239444,5.0
+Cc1ccc(OCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CHEMBL399804,5.0
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccccc2)n(C)c1=O,CHEMBL240951,5.5
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccc(Cl)cc2)n(C)c1=O,CHEMBL240952,5.0
+Cn1c(=O)c2c(nc3n2CCCN3CCOCc2ccc(F)cc2)n(C)c1=O,CHEMBL399805,5.43
+Cn1c(=O)c2c(nc3n2CCCN3CCOC/C=C/c2ccccc2)n(C)c1=O,CHEMBL240953,5.0
+Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccccc2)n(C)c1=O,CHEMBL401028,5.12
+Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccc(F)cc2)n(C)c1=O,CHEMBL241382,5.58
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)cc2)n(CCC)c1=O,CHEMBL398593,6.15
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(CCC)c1=O,CHEMBL240507,6.74
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(CCC)c1=O,CHEMBL400620,7.05
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2Cl)n(CCC)c1=O,CHEMBL240296,6.32
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(CCC)c1=O,CHEMBL400619,6.64
+CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(C)cc2)n(CCC)c1=O,CHEMBL240295,6.0
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O,CHEMBL240294,5.46
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccn2)n(C)c1=O,CHEMBL240083,4.75
+COc1cccc(CN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1,CHEMBL399618,5.6
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL401440,5.45
+CNC(=O)C1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc21,CHEMBL272016,5.09
+OCC1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc21,CHEMBL257684,4.59
+OCC1CC=CC1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL257111,5.52
+OCC1CC=CC1n1cnc2c(NC3CC3)ncnc21,CHEMBL405897,4.49
+COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2COC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O,CHEMBL501388,5.28
+Nc1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL492052,6.935
+O=C(Nc1ccc(F)cc1)Nc1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL487497,6.97
+O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1,CHEMBL496984,6.2
+Nc1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1,CHEMBL496985,6.465
+CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12,CHEMBL482950,5.58
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,CHEMBL490262,7.46
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519813,6.6
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL483261,5.56
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482436,6.41
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL482638,7.01
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O,CHEMBL483469,6.75
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520297,6.53
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520830,7.47
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484899,6.44
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL484900,6.95
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL486479,6.33
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL519390,6.25
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O,CHEMBL486688,6.56
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL520617,7.41
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL518972,7.33
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482648,6.45
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL482855,7.08
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL483065,6.57
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O,CHEMBL486893,7.1
+C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O,CHEMBL519253,5.84
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL519556,7.06
+CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL488542,7.11
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O,CHEMBL486281,7.04
+CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O,CHEMBL486282,7.41
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,5.795
+CCc1nc2sc3c(c2c2n[nH]c(=S)n12)CCCC3,CHEMBL522879,5.93
+CCc1nc2sc(C)c(C)c2c2n[nH]c(=S)n12,CHEMBL453690,5.68
+Cc1nc2sc3c(c2c2n[nH]c(=S)n12)CCCC3,CHEMBL510505,5.36
+Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL471614,8.25
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CC1,CHEMBL458346,8.12
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCC1,CHEMBL514399,8.66
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCCC1,CHEMBL456211,8.6
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCCCC1,CHEMBL456010,7.92
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccs1,CHEMBL456011,8.1
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1,CHEMBL517097,7.92
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccoc1,CHEMBL459772,8.0
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1,CHEMBL459980,6.96
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1F,CHEMBL462104,7.4
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(F)c1,CHEMBL517258,7.66
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1Cl,CHEMBL460201,6.85
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(Cl)c1,CHEMBL460202,7.15
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(Cl)cc1,CHEMBL459582,6.97
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1I,CHEMBL471419,6.32
+COc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL513601,5.82
+COc1cccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)c1,CHEMBL471628,7.03
+COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL455383,7.55
+Cc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL511274,6.15
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1C(F)(F)F,CHEMBL472447,6.26
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(C(F)(F)F)c1,CHEMBL472654,6.79
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(C(F)(F)F)cc1,CHEMBL471612,6.91
+CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL511143,5.73
+COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL471429,5.15
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-],CHEMBL513727,5.67
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1[N+](=O)[O-],CHEMBL470595,6.68
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc([N+](=O)[O-])c1,CHEMBL470814,7.11
+O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CHEMBL471022,7.62
+Nc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL469760,7.47
+Nc1cccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)c1,CHEMBL469761,7.49
+Nc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1,CHEMBL471613,8.15
+CC(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23,CHEMBL127872,5.53
+COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC,CHEMBL517637,5.49
+CS(=O)(=O)N(c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)S(C)(=O)=O,CHEMBL519319,6.88
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1,CHEMBL474016,6.23
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4CCc5ccccc5C4)cc3)nc2n(CCCOC)c1=O,CHEMBL565192,7.0
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O,CHEMBL560905,7.02
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL557694,6.17
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563259,6.06
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL562427,6.76
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O,CHEMBL552304,6.79
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL563425,7.0
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O,CHEMBL551904,7.68
+CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O,CHEMBL560624,7.44
+Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL576883,6.0
+CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL577902,5.9
+C=CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL578569,6.27
+C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL578819,6.26
+Nc1nc(SC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL567801,6.86
+Nc1nc(SCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568009,6.3
+Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL568023,6.4
+Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577458,6.03
+Nc1nc(SCCC2OCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL578145,5.94
+Nc1nc(SCCC2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL576838,6.34
+Nc1nc(SCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL577036,6.74
+CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL577915,6.59
+CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL596346,7.57
+CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL593217,7.54
+CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL604885,7.05
+Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL594963,7.0
+CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL606753,6.99
+CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594271,6.97
+Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1,CHEMBL595657,6.92
+C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603209,6.88
+C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL594735,6.88
+CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL594734,6.88
+CSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604492,6.82
+COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,CHEMBL606535,6.76
+CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL595658,6.75
+COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,CHEMBL603861,6.71
+CSCCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL596125,6.7
+C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL604283,6.66
+CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL596558,6.52
+CCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL596331,6.47
+O=c1c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c(=O)n1CC1CC1,CHEMBL596536,6.46
+COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O,CHEMBL593572,6.4
+CCSCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL607258,6.4
+CCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O,CHEMBL594480,6.38
+C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,CHEMBL594728,6.36
+CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O,CHEMBL595431,6.33
+CC(C)Cn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL593571,6.31
+Cn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O,CHEMBL604075,6.28
+CCCCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,CHEMBL594965,6.06
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1,CHEMBL602950,7.92
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1,CHEMBL591710,8.24
+Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL592679,8.32
+COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL590033,8.15
+O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1,CHEMBL600232,8.02
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1,CHEMBL602722,6.0
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(OC)cc2)s1,CHEMBL590301,7.16
+CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1,CHEMBL603129,7.14
+OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,CHEMBL592435,8.6
+Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1093313,5.57
+CSc1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090123,5.76
+CN(C)c1nc(N)n2nc(-c3ccco3)nc2n1,CHEMBL1090124,4.5
+CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1090125,6.25
+CSc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1090126,5.85
+COc1ccc(CC(=O)Nc2nc(SC)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1090806,5.3
+CCCCCC(=O)Nc1nc(SC)nc2nc(-c3ccco3)nn12,CHEMBL1092579,5.82
+CSc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092868,5.0
+CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)nc2n1,CHEMBL1092869,5.46
+CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1089439,5.54
+CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089112,6.02
+CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089113,5.22
+COc1ccc(CC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089463,5.06
+CCCCCC(=O)Nc1nc(N(C)C)nc2nc(-c3ccco3)nn12,CHEMBL1089798,5.8
+CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1,CHEMBL1089799,5.5
+Cc1ccc(NC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1,CHEMBL1089480,5.57
+O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,CHEMBL1088770,5.14
+C#CCn1c(Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3,CHEMBL1088253,7.68
+C#CCn1c(C)nc2sc(C)c(C)c2c1=O,CHEMBL1095693,8.22
+C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O,CHEMBL1088384,8.4
+C#CCn1c(C)nc2sc3c(c2c1=O)CCC3,CHEMBL1095695,8.22
+C#CCn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCC3,CHEMBL1087329,8.3
+CCOc1cccc2c(C)nc(NC(=N)N)nc12,CHEMBL602578,5.88
+COc1ccc2c(C)nc(NC3=NCC(=O)N3)nc2c1,CHEMBL1210817,5.89
+Oc1ccc(-c2nc3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL1254607,5.43
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012678,9.47
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21,CHEMBL2012675,9.05
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCC3)nc(Cl)nc21,CHEMBL2012674,9.15
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc21,CHEMBL2012679,9.15
+CC(C)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21,CHEMBL2012682,8.72
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CC3)nc(Cl)nc21,CHEMBL2012684,9.1
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21,CHEMBL2012686,9.1
+O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3F)nc(Cl)nc21,CHEMBL2012687,8.22
+Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043426,5.74
+Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043427,6.0
+Nc1nc(SCC(=O)O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2043428,5.71
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]1O,CHEMBL2070398,5.92
+Cn1c(=O)c2c(nc3n2CCN3C2CCCC2)n(C)c1=O,CHEMBL2153720,4.6
+Cn1c(=O)c2c(nc3n2CCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153630,5.61
+Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O,CHEMBL2153627,5.62
+Cn1c(=O)c2c(nc3n2CCCN3C2CCCC2)n(C)c1=O,CHEMBL2153625,5.27
+Cn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL2153618,5.6
+CC(C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153617,5.12
+C[C@H](C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153616,5.1
+C[C@@H](C1CCCCC1)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,CHEMBL2153615,4.92
+Cn1c(=O)c2c(nc3n2CCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153614,4.83
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCC2)n(C)c1=O,CHEMBL2151065,5.3
+Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCC2)n(C)c1=O,CHEMBL2153610,5.67
+CC(=O)OC1CCC(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153608,5.31
+CC1CCC(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2153607,5.46
+Cn1c(=O)c2c(nc3n2CCCCN3CC2CCCCC2)n(C)c1=O,CHEMBL2153605,5.29
+Cn1c(=O)c2c(nc3n2CCCCN3CCC2=CCCCC2)n(C)c1=O,CHEMBL2153604,5.78
+CCCn1c(=O)c2[nH]c(C3C4CC5OC(=O)C3C5C4)nc2n(CCC)c1=O,CHEMBL2153721,9.52
+CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O,CHEMBL138746,4.43
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1F,CHEMBL2181967,5.87
+OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL2181970,7.8
+OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL193421,8.0
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl,CHEMBL2326829,7.49
+COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,CHEMBL2326828,7.18
+Nc1nc(N/N=C/c2ccc(Cl)cc2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326844,7.24
+Nc1nc(N/N=C/c2ccc(Cl)c(Cl)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326843,6.58
+Nc1nc(N/N=C/c2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2326842,6.97
+Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL1950554,7.15
+O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1,CHEMBL2382425,7.45
+O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1,CHEMBL2382423,7.19
+Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1,CHEMBL2382420,7.01
+O=C(C/C=C/c1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382440,7.94
+COc1cccc(/C=C/CC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382439,7.95
+O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382438,7.28
+O=C(CCCc1cccc(Cl)c1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382436,6.05
+COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382435,7.65
+O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2382434,6.64
+COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2382431,6.69
+COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1,CHEMBL2380386,6.44
+O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1,CHEMBL2380385,6.37
+COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,CHEMBL240624,7.16
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413108,5.46
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413107,6.63
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413106,6.95
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413105,7.56
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413104,7.15
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C,CHEMBL2413103,7.37
+CCCN1C(=O)C2NC(c3ccc(OCC(=O)NCCNC(=O)NCC(=O)NCC(=O)NCC(=S)c4ccc(C5c6ccc(O)cc6Oc6cc(O)ccc65)c(C(=O)O)c4)cc3)=NC2N(CCC)C1=O,CHEMBL2413239,7.01
+CCCN1C(=O)C2NC(c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(C5c6ccc(O)cc6Oc6cc(O)ccc65)c(C(=O)O)c4)cc3)=NC2N(CCC)C1=O,CHEMBL2413238,6.9
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12,CHEMBL2413101,8.36
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1,CHEMBL2413100,8.14
+Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093239,5.14
+Cn1c(=O)c2c(nc3n2CCCN3CCc2cccc(Cl)c2)n(C)c1=O,CHEMBL3093238,5.75
+Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O,CHEMBL3093237,6.78
+Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,CHEMBL3093236,5.4
+Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O,CHEMBL3093232,5.35
+CCn1c(=O)c2c(nc3n2CCCN3CCN2CCCCC2)n(CC)c1=O,CHEMBL3093231,5.97
+CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(CC)c1=O,CHEMBL3093230,6.49
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2OC)n(CC)c1=O,CHEMBL3093225,6.3
+CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(CC)c1=O,CHEMBL3093224,5.91
+CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O,CHEMBL3093325,6.26
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O,CHEMBL3093323,6.66
+C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCO2)n(C)c1=O,CHEMBL3093322,6.77
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O,CHEMBL3093321,6.29
+C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O,CHEMBL3091482,5.97
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O,CHEMBL3093320,6.0
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093318,5.5
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O,CHEMBL3093317,6.3
+C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CHEMBL3093316,6.2
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O,CHEMBL3093315,6.94
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccnc2)n(C)c1=O,CHEMBL3093314,5.74
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(OC)cc2)n(C)c1=O,CHEMBL3093313,6.26
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O,CHEMBL3093312,6.64
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O,CHEMBL3093311,5.97
+C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CHEMBL3093310,6.87
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C(C)C)cc2)n(C)c1=O,CHEMBL3093333,5.28
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cc(OC)cc(OC)c2)n(C)c1=O,CHEMBL3093332,6.64
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O,CHEMBL3093331,6.5
+C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O,CHEMBL3093330,6.33
+C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O,CHEMBL3093329,5.92
+Cn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(C)c1=O,CHEMBL3093327,9.91
+Cn1c(=O)c2c(nc(CCCc3ccccc3)n2C)n(C)c1=O,CHEMBL3618467,5.81
+CCn1c(CCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618468,6.59
+CCn1c(=O)c2c(nc(CCCc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618469,5.91
+CCn1c(=O)c2c(nc(CCCc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618470,6.742000000000001
+Cn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(C)c1=O,CHEMBL1864958,5.24
+CCn1c(CCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618471,5.96
+CCn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618472,6.09
+CCn1c(=O)c2c(nc(CCc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618473,6.192
+Cn1c(=O)c2c(nc(COc3ccccc3)n2C)n(C)c1=O,CHEMBL2088299,5.51
+CCn1c(COc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL3618474,5.96
+CCn1c(=O)c2c(nc(COc3ccccc3)n2C)n(CC)c1=O,CHEMBL3618475,6.06
+CCn1c(=O)c2c(nc(COc3ccccc3)n2CC)n(CC)c1=O,CHEMBL3618476,6.408
+Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)o1,CHEMBL3735468,6.36
+COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC,CHEMBL3736443,6.19
+COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1,CHEMBL3735153,6.84
+COc1cccc(-c2cc(-c3ccco3)nc(N)n2)c1,CHEMBL3736461,7.21
+Cc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1,CHEMBL3736199,6.89
+Nc1nc(-c2cccc(Cl)c2)cc(-c2ccco2)n1,CHEMBL3734972,7.41
+Nc1nc(-c2ccccc2)cc(-c2cccc(Cl)c2)n1,CHEMBL3735374,7.64
+Nc1nc(-c2ccc(F)cc2)cc(-c2ccco2)n1,CHEMBL3735200,6.8
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1,CHEMBL3735683,7.28
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)nc(N)n2)o1,CHEMBL3736116,6.87
+CCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1,CHEMBL3735679,7.43
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCCC4)c3)nc(N)n2)o1,CHEMBL3735985,8.02
+Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCC4)c3)nc(N)n2)o1,CHEMBL3735439,7.43
+O=C(Nc1nc(C2CC2)cs1)c1ccoc1,CHEMBL3747370,7.41
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)n1,CHEMBL3754574,7.97
+CN(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)c1ccccc1,CHEMBL3752923,8.97
+CC(C)N(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)C(C)C,CHEMBL3754252,9.76
+CCN(CC)C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1,CHEMBL3752439,9.33
+CN(C)C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1,CHEMBL3751996,8.69
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCC3)c2)n1,CHEMBL3754358,9.08
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCOCC3)c2)n1,CHEMBL3754167,8.58
+CN1CCN(C(=O)Oc2cccc(-c3cc(-c4ccccc4)nc(N)n3)c2)CC1,CHEMBL3753390,8.69
+Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCCC3)c2)n1,CHEMBL3753339,8.71
+Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(OCCN4CCCCC4)cc2)C3)n(C)c1=O,CHEMBL3827628,5.76
+CN(C)CCOc1ccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,CHEMBL3827216,5.86
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O,CHEMBL3828555,6.76
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827331,7.1
+CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3828002,6.74
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3828401,6.46
+CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCC)c1=O,CHEMBL3828658,6.43
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O,CHEMBL3827922,6.57
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCCC3)cc2)n(CCCC)c1=O,CHEMBL3827201,6.9
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCCC)c1=O,CHEMBL3827074,7.14
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O,CHEMBL3827187,6.86
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CCCC)c1=O,CHEMBL3827598,7.25
+CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CCCC)c1=O,CHEMBL3827301,6.76
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCCC3)cc2)n(CCC)c1=O,CHEMBL3827298,6.6
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN3CCCC3)cc2)n(CCC)c1=O,CHEMBL3827623,6.76
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O,CHEMBL3827653,6.25
+CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CCC)c1=O,CHEMBL3827267,6.74
+CCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(C)C)cc2)n(CC)c1=O,CHEMBL3827716,6.53
diff --git a/chembl_200/CHEMBL319.csv b/chembl_200/CHEMBL319.csv
new file mode 100644
index 0000000000000000000000000000000000000000..5dc6b55cb44549bc225d9979a4ce040f5a27936d
--- /dev/null
+++ b/chembl_200/CHEMBL319.csv
@@ -0,0 +1,395 @@
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21,CHEMBL295741,9.42
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21,CHEMBL290387,9.16
+C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,CHEMBL96467,9.44
+CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12,CHEMBL302882,6.86
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.91
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,7.37
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.4
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.04
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,8.25
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,7.22
+COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1,CHEMBL420510,7.48
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1,CHEMBL340641,6.2
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,7.44
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,6.18
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1,CHEMBL339960,6.26
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1,CHEMBL126889,5.09
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL127400,8.24
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1,CHEMBL435218,6.11
+O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL57163,9.28
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL301707,9.68
+O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2)CC1,CHEMBL51963,8.74
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1,CHEMBL55528,7.89
+COc1ccccc1N1CCN(CCn2c(=O)c3c(c4ccccc4n3C)n(C)c2=O)CC1,CHEMBL54716,9.49
+Clc1ccccc1N1CCNCC1,CHEMBL9841,6.15
+COc1ccccc1N1CCNCC1,CHEMBL9666,5.45
+CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1,CHEMBL326702,6.863
+COc1ccc(OC)c(C(O)CN)c1,CHEMBL1076,5.7
+CS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL109783,7.952999999999999
+C[C@H](N)[C@H](O)c1ccccc1,CHEMBL136560,5.01
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,7.415
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL290039,8.02
+Clc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1,CHEMBL89677,7.19
+COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1,CHEMBL88715,7.35
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL42644,7.92
+FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCN4C3)CC2)c1,CHEMBL89950,6.44
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL417709,7.14
+FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1,CHEMBL90165,6.62
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL46881,8.07
+COc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL289873,8.51
+COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1,CHEMBL315472,7.14
+COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1,CHEMBL89380,6.66
+FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1,CHEMBL90384,6.94
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL46918,7.19
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL42810,8.08
+Clc1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1,CHEMBL424432,7.19
+COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1,CHEMBL88594,6.49
+FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCCN4C3)CC2)c1,CHEMBL314997,6.56
+O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL42706,6.96
+O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL45253,7.04
+COc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL43992,8.0
+Clc1cccc(Cl)c1NC1=NCCN1,CHEMBL134,6.82
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL106737,9.59
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1788223,8.82
+COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL1788222,9.64
+COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1,CHEMBL302021,9.19
+COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1,CHEMBL2092926,7.26
+COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL1744044,9.03
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51433,9.3
+COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1,CHEMBL2092927,6.91
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56438,6.89
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19826,6.24
+COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19476,6.3
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.69
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,8.62
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,7.74
+Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2,CHEMBL101610,8.0
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21,CHEMBL60722,8.92
+COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21,CHEMBL2115086,8.86
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21,CHEMBL294098,8.92
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21,CHEMBL291588,8.17
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21,CHEMBL440865,9.15
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21,CHEMBL304215,9.04
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21,CHEMBL291769,8.56
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21,CHEMBL302203,9.07
+COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC,CHEMBL445325,9.57
+COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2,CHEMBL303988,7.89
+COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2,CHEMBL302192,7.21
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21,CHEMBL291528,9.39
+COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1,CHEMBL61225,8.99
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21,CHEMBL293695,10.4
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21,CHEMBL61483,9.48
+COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC,CHEMBL58862,9.6
+COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2,CHEMBL59575,7.09
+COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC,CHEMBL58612,8.43
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21,CHEMBL62206,8.04
+COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1,CHEMBL58956,10.05
+COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1,CHEMBL293236,8.83
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21,CHEMBL60721,9.07
+COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2,CHEMBL58585,6.91
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21,CHEMBL299907,8.45
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21,CHEMBL58105,8.11
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21,CHEMBL60471,9.24
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21,CHEMBL432147,8.85
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21,CHEMBL431720,10.05
+COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2,CHEMBL291305,8.11
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl,CHEMBL62109,8.72
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21,CHEMBL60510,8.86
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21,CHEMBL61598,9.37
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21,CHEMBL291839,8.86
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21,CHEMBL62110,8.94
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21,CHEMBL62033,10.05
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21,CHEMBL445071,9.32
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21,CHEMBL292881,8.99
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC,CHEMBL291303,9.62
+COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1,CHEMBL62028,10.4
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21,CHEMBL61491,9.17
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21,CHEMBL294027,8.96
+COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1,CHEMBL369154,9.57
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,8.27
+COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,CHEMBL76168,8.33
+COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1,CHEMBL72657,8.75
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,8.2
+COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1,CHEMBL286565,7.39
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,8.61
+COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL14199,8.02
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1,CHEMBL13754,8.71
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1,CHEMBL13735,9.28
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1,CHEMBL13903,9.24
+COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1,CHEMBL14213,8.58
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,8.46
+COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL19376,6.29
+COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC,CHEMBL2079655,5.54
+CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1,CHEMBL358595,9.24
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1,CHEMBL298595,6.53
+O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL56620,7.17
+CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl,CHEMBL55790,6.1
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1,CHEMBL57098,6.2
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1,CHEMBL56869,6.42
+COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1,CHEMBL57540,7.53
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1,CHEMBL60699,6.53
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL299454,7.06
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1,CHEMBL293539,6.97
+Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL291908,6.23
+O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL301224,7.37
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1,CHEMBL56804,7.96
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1,CHEMBL57097,5.82
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL57593,6.26
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1,CHEMBL56899,6.94
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL59262,8.74
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,5.68
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1,CHEMBL440118,6.93
+O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL294646,7.04
+O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2,CHEMBL299253,7.27
+CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL300152,6.73
+O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL55319,8.55
+CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1,CHEMBL57317,7.22
+O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2,CHEMBL292366,7.57
+Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL431354,6.92
+COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1,CHEMBL57859,7.26
+Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL55654,6.72
+CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O,CHEMBL292399,6.38
+O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL294235,7.11
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1,CHEMBL56292,8.7
+CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL60583,8.45
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1,CHEMBL55655,7.36
+Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,CHEMBL59149,6.9
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL431943,6.38
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1,CHEMBL293968,5.47
+N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL57868,6.3
+N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL299022,6.67
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1,CHEMBL556313,6.87
+O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1,CHEMBL58384,6.32
+O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL293111,6.48
+O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1,CHEMBL55882,6.92
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21,CHEMBL41155,8.79
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21,CHEMBL43909,8.41
+COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2,CHEMBL434591,8.28
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21,CHEMBL297218,9.31
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21,CHEMBL43234,8.03
+COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21,CHEMBL40564,7.77
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21,CHEMBL287928,9.1
+COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1,CHEMBL41234,9.18
+COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1,CHEMBL43573,8.32
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,CHEMBL40650,9.57
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21,CHEMBL290243,9.41
+COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1,CHEMBL441032,9.46
+COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21,CHEMBL289361,9.08
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21,CHEMBL291073,9.54
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21,CHEMBL41444,9.36
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21,CHEMBL291154,9.29
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21,CHEMBL291262,9.23
+COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2,CHEMBL43921,7.89
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21,CHEMBL40754,9.28
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21,CHEMBL41344,9.11
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21,CHEMBL290519,9.55
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21,CHEMBL288530,9.14
+COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21,CHEMBL289758,8.13
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21,CHEMBL289437,8.5
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21,CHEMBL39037,8.89
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21,CHEMBL290388,9.28
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21,CHEMBL296711,6.82
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21,CHEMBL289627,8.2
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21,CHEMBL40819,8.89
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21,CHEMBL289166,8.48
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21,CHEMBL288678,9.17
+COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21,CHEMBL41332,7.42
+COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21,CHEMBL288809,9.1
+COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21,CHEMBL417890,8.66
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21,CHEMBL40310,8.67
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21,CHEMBL40780,9.4
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21,CHEMBL287965,9.48
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21,CHEMBL40896,8.79
+COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21,CHEMBL41396,7.0
+COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1,CHEMBL420060,9.15
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,9.7
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC,CHEMBL423294,8.77
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,7.55
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,CHEMBL707,9.2
+COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC,CHEMBL97698,8.41
+N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1,CHEMBL140450,6.19
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL342062,7.73
+NC[C@H](O)c1ccc(O)c(O)c1,CHEMBL1437,6.55
+CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1,CHEMBL336161,8.65
+CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1,CHEMBL133451,6.02
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,7.995
+CNC[C@H](O)c1cccc(O)c1,CHEMBL1215,6.01
+CCS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111496,7.175
+CC(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL109848,6.28
+CS(=O)(=O)Nc1ccc(O)c2c1CCCC2c1cnc[nH]1,CHEMBL111372,6.15
+CC(N)C(O)c1ccccc1,CHEMBL61006,5.01
+CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1,CHEMBL432451,6.15
+CCS(=O)(=O)Nc1cccc2c1CCCC2CN,CHEMBL109553,6.1
+O=S(=O)(Nc1cccc2c1CCCC2c1cnc[nH]1)C1CC1,CHEMBL325897,6.27
+COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1cnc[nH]1,CHEMBL110976,6.3
+Cc1ccc(NS(C)(=O)=O)c2c1C(c1cnc[nH]1)CCC2,CHEMBL323440,6.41
+CC(c1cccc(NS(C)(=O)=O)c1)c1cnc[nH]1,CHEMBL111682,6.08
+CCS(=O)(=O)Nc1cccc2c1CCCC2c1cnc(C)[nH]1,CHEMBL320765,6.1
+CS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111554,6.71
+CS(=O)(=O)Nc1cccc2c1CCC=C2c1cnc[nH]1,CHEMBL3350265,6.01
+CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1cnc[nH]1,CHEMBL322042,6.51
+CCS(=O)(=O)Nc1cccc2c1CCC2c1cnc[nH]1,CHEMBL111771,7.65
+CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1cnc[nH]1,CHEMBL322082,6.35
+CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1cnc[nH]1,CHEMBL108804,7.44
+CCS(=O)(=O)Nc1cccc(C2CCNC2)c1,CHEMBL110859,6.3
+CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111537,5.94
+CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1cnc[nH]1,CHEMBL111685,6.57
+CCS(=O)(=O)Nc1cccc2c1SCCC2c1cnc[nH]1,CHEMBL107726,6.0
+CCCS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL111391,5.77
+O=C(Nc1cccc2c1CCCC2c1cnc[nH]1)C(F)(F)F,CHEMBL110751,6.78
+CS(=O)(=O)Nc1cccc2c1OCCC2c1cnc[nH]1,CHEMBL111151,6.32
+CCS(=O)(=O)Nc1cccc2c1CCCC2CNC,CHEMBL419369,5.86
+CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1cnc[nH]1,CHEMBL110975,7.08
+CCS(=O)(=O)Nc1cccc2c1COC2c1cnc[nH]1,CHEMBL324238,6.03
+CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1,CHEMBL109755,6.34
+COc1ccc(NS(C)(=O)=O)c2c1C(c1cnc[nH]1)CCC2,CHEMBL442394,5.77
+CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1cnc[nH]1,CHEMBL323004,7.34
+CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1,CHEMBL110852,5.53
+CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1C,CHEMBL111734,6.89
+Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1,CHEMBL111584,6.56
+CN(c1cccc2c1CCCC2c1cnc[nH]1)S(C)(=O)=O,CHEMBL111463,6.69
+CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1cnc[nH]1,CHEMBL2111710,7.04
+O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL321644,6.755
+CS(=O)(=O)Nc1cccc2c1CCCCC2c1cnc[nH]1,CHEMBL322492,5.87
+COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1,CHEMBL145746,9.01
+COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL137598,9.14
+COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC,CHEMBL136458,6.81
+COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL434228,7.96
+COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC,CHEMBL343283,7.72
+COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC,CHEMBL430717,8.12
+COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL424658,8.25
+COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC,CHEMBL335731,7.44
+COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC,CHEMBL137903,8.83
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,5.29
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.96
+c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1,CHEMBL534944,7.22
+c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL537428,6.92
+Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21,CHEMBL537650,6.32
+Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1,CHEMBL535837,5.72
+O=c1[nH]c2ccccc2n1C1CCN(CCCN2CCCCC2)CC1,CHEMBL535838,6.05
+c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL557584,7.25
+c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL537651,7.24
+Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1,CHEMBL539601,6.16
+Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,CHEMBL541129,7.68
+c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1,CHEMBL534943,7.24
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,9.3
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1,CHEMBL252430,7.76
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1,CHEMBL252429,7.81
+CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL398525,9.31
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1,CHEMBL252230,9.14
+CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252228,9.05
+CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252031,9.35
+CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL252030,8.5
+O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,CHEMBL398711,9.52
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1,CHEMBL251834,8.73
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1,CHEMBL398744,8.86
+O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252201,7.99
+O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253878,8.28
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1,CHEMBL398619,8.48
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1,CHEMBL442290,7.99
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1,CHEMBL253439,8.25
+Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1,CHEMBL398618,7.87
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1,CHEMBL253233,7.96
+CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400236,8.44
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1,CHEMBL253024,8.65
+CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL400235,8.4
+CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL253022,8.52
+CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL252818,8.87
+NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL404000,8.57
+O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F,CHEMBL252816,8.72
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,CHEMBL388342,8.31
+COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL225853,8.93
+COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C,CHEMBL524439,8.65
+COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL388564,8.87
+CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL444648,6.8
+CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1256344,6.87
+CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1257883,6.25
+COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL484102,6.79
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL490865,6.92
+COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1258228,6.38
+COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL503007,6.7
+COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL500266,6.98
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL448198,6.78
+O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1,CHEMBL1258344,6.13
+COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL1258345,7.78
+CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL1258457,7.17
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,5.85
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL493,8.55
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,7.24
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,8.0
+Brc1c(NC2=NCCN2)ccc2nccnc12,CHEMBL844,5.59
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,6.84
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.37
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,5.98
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.07
+CNC[C@H](O)c1ccc(O)c(O)c1,CHEMBL679,6.6
+N=C(N)N/N=C/c1c(Cl)cccc1Cl,CHEMBL420,6.8
+CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,CHEMBL50588,5.58
+N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,CHEMBL862,6.26
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.35
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,CHEMBL30008,6.36
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,8.02
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,8.49
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL1108,9.17
+Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,CHEMBL1201216,7.41
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,9.18
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,6.15
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,4.97
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.69
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,7.35
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.1
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,8.46
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064,6.11
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,6.94
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.01
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,8.5
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.68
+N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL55,6.31
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,8.43
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,7.49
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,6.11
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,5.6
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,7.595
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597,8.33
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,8.68
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,7.46
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,7.89
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.64
+CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O,CHEMBL2106399,6.2
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.42
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,8.04
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,5.87
+CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL295698,4.84
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,CHEMBL429,7.64
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,7.24
+CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL841,5.6
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,CHEMBL621,7.33
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,CHEMBL6966,6.07
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,6.3
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,8.69
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.05
+CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL1306,5.27
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.05
+Nc1c2c(nc3ccccc13)CCCC2,CHEMBL95,5.95
+COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1,CHEMBL2153423,9.85
+Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL323402,6.9
+COC(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,CHEMBL109827,7.04
+CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1cnc[nH]1,CHEMBL2261355,7.33
+CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O,CHEMBL2261354,5.26
+COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1,CHEMBL2261353,6.21
+NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL2261352,5.15
+COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL2261351,6.54
+CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL2261348,6.11
+CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1,CHEMBL2261347,7.22
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL2261604,7.73
+Fc1ccc2c(C3CCN(CCCN4CCc5ccccc5C4)CC3)c[nH]c2c1,CHEMBL3609360,7.62
+c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2,CHEMBL3609359,6.89
+c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1,CHEMBL3609358,6.64
+c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2,CHEMBL3609357,7.3
+c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL3609356,7.29
+c1ccc2c(C3CCN(CCCn4cccc4)CC3)c[nH]c2c1,CHEMBL3609355,7.07
+O=C1c2ccccc2C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL3609354,7.28
+c1ccc2c(C3CCNCC3)c[nH]c2c1,CHEMBL15988,5.51
+CN(C)CCCN1CCC(c2c[nH]c3ccccc23)CC1,CHEMBL3609353,6.62
+c1ccc2c(C3CCN(CCCC4CCCCC4)CC3)c[nH]c2c1,CHEMBL3609352,6.85
+c1ccc(CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1,CHEMBL3609351,7.8
diff --git a/chembl_200/CHEMBL321.csv b/chembl_200/CHEMBL321.csv
new file mode 100644
index 0000000000000000000000000000000000000000..87a1fa6f5b02f0707b671527044fe4e9c05e7e57
--- /dev/null
+++ b/chembl_200/CHEMBL321.csv
@@ -0,0 +1,670 @@
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL19611,9.2
+CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,CHEMBL176467,7.28
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1,CHEMBL422266,6.235
+CNC(=O)[C@@H]1CCCCN(S(=O)(=O)c2cn(C)cn2)CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL283427,8.57
+CNC(=O)[C@@H]1CCCCN(S(=O)(=O)c2ccc(N)cc2)CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL24347,8.8
+CNC(=O)[C@@H]1CCCCNCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL542068,7.89
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cccc2C(=O)NO)cc1,CHEMBL76606,7.64
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL514138,8.1
+CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C(C)(C)C,CHEMBL16520,8.7
+COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1,CHEMBL115727,7.52
+CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C,CHEMBL115653,7.23
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@H]1C(=O)NO,CHEMBL418655,6.46
+CC(C)C[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL367959,5.26
+CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N(C)C,CHEMBL367331,5.4
+C[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL355727,5.05
+CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)NO,CHEMBL174373,5.36
+CN(C)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NO,CHEMBL173533,6.0
+C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL172180,6.3
+CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(=O)NO,CHEMBL366997,5.7
+O=C(NO)C(=O)NCCN(C(=O)C(=O)NO)c1cccc2ccccc12,CHEMBL176993,7.0
+C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL369495,6.22
+CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL368180,5.49
+CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C(=O)NO,CHEMBL174084,5.09
+C[C@@H](NC(=O)C(=O)NO)c1ccc2ccccc2c1,CHEMBL369419,5.48
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NO,CHEMBL355756,4.85
+C[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL174422,5.48
+CCCC[C@H](NC(=O)C(=O)NO)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N(C)C,CHEMBL367722,5.12
+O=C(NO)C(=O)NCCc1c[nH]c2ccc(Cl)cc12,CHEMBL173382,6.46
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL369184,6.05
+CN(C)C(=O)[C@H](Cc1ccc(COc2ccccc2)cc1)NC(=O)C(=O)NO,CHEMBL174993,5.52
+CN(C)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C(=O)NO,CHEMBL177048,4.36
+C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C(=O)NO)c1ccccc1,CHEMBL171466,6.82
+C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL174865,6.22
+CCCCC(CC)COCCCNC(=O)C(=O)NO,CHEMBL172874,6.6
+C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL170103,6.1
+C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)NO)c1ccccc1,CHEMBL435713,7.0
+O=C(NO)C(=O)NCCc1c[nH]c2ccccc12,CHEMBL171949,6.1
+CC(C)(C)OC(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1,CHEMBL283222,5.89
+CS(=O)(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1,CHEMBL24595,5.68
+CC(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1,CHEMBL26058,5.76
+CCOC(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1,CHEMBL283690,6.08
+O=C(NO)[C@@H](C1CCNCC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24763,5.4
+O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24398,5.35
+O=C(NO)[C@@H](C1CN(C(=O)C(F)(F)F)C1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24810,5.83
+O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8943,5.48
+COc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL9086,6.46
+O=C(C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8702,8.27
+O=C(C[C@@H](Cc1ccc(-c2ccc3c(c2)OCO3)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8432,6.51
+CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL417061,5.47
+COc1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL8553,8.55
+O=C(C[C@@H](Cc1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL268882,6.82
+Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL266245,8.38
+CC(C)c1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL268381,7.06
+CS(=O)(=O)Nc1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL8655,6.16
+O=C(C[C@@H](Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8466,7.76
+Cc1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL8447,5.96
+O=C(C[C@@H](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL268680,6.56
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327108,5.41
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL115774,8.0
+COc1ccccc1SCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL324891,4.45
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL435271,8.3
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL167278,8.7
+CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL169996,7.47
+C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)c1ccccc1,CHEMBL167232,6.83
+C[C@](O)(C(=O)NO)[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1,CHEMBL167233,9.0
+CNC(=O)[C@H](CCCNC(=O)N1CCOCC1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL355745,8.4
+CNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL265216,8.7
+C[C@](O)(C(=O)NO)[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1,CHEMBL355418,9.0
+CNC(=O)[C@H](CCCNS(=O)(=O)N(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL166564,8.7
+CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO,CHEMBL168601,8.3
+C=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL359424,7.96
+CC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL148118,6.23
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,4.99
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C1=O,CHEMBL144081,7.18
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O,CHEMBL359251,7.4
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O,CHEMBL343216,7.41
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3)cc2)C1=O,CHEMBL357675,7.54
+COc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL146896,8.05
+Cc1cc(C)cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c1,CHEMBL144548,5.79
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL515390,7.46
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccccc2)C1=O,CHEMBL356975,6.62
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL303983,6.54
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](N)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL64586,5.71
+Cc1cc(COc2ccc(N3CC[C@@]([C@H](C)C(=O)NO)(N(C)C)C3=O)cc2)c2ccccc2n1,CHEMBL59968,5.89
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142625,4.82
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142599,4.36
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142627,4.74
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142594,5.4
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142607,6.52
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142611,5.0
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142613,4.35
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142591,4.28
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142612,4.4
+Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)c(C)c1,CHEMBL3142598,4.54
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142614,4.74
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142618,4.8
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142610,4.74
+CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142590,5.0
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142615,4.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142601,5.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142600,4.77
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142608,4.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142593,4.85
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142588,4.82
+Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142596,5.15
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142605,5.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142589,4.85
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142606,6.4
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142626,4.68
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142592,5.7
+COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142602,4.68
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL407540,7.22
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL327617,7.64
+CCCCCCCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL432770,7.52
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1ccccc1,CHEMBL87300,8.22
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327641,7.15
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1,CHEMBL313472,8.1
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL315901,6.96
+CC(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316200,7.46
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)COCc1ccccc1,CHEMBL87159,8.0
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL86390,7.26
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O,CHEMBL405651,7.36
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1,CHEMBL315843,8.22
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL313360,8.0
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL88187,7.26
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1,CHEMBL89057,8.15
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL330731,6.55
+COc1ccc(CSCC(CP(=O)(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL277792,8.52
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(COCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL329651,7.36
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL313386,6.17
+NCC(C(N)=O)N(C(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL87786,6.61
+NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL328886,8.0
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1,CHEMBL313896,7.89
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL90622,8.22
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,CHEMBL315046,6.96
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88188,7.66
+CC(C)CC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL85744,7.19
+COc1ccc([P@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347440,8.43
+COc1ccc([P@](=O)(OCCF)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154706,7.98
+COc1ccc([P@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL406939,8.35
+COc1ccc([P@](=O)(OCC(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL435462,8.3
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL62259,8.3
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL90337,8.44
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,CHEMBL91636,8.92
+CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL313199,8.96
+CNC(=O)[C@@H]1CCCCNC(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL48258,8.59
+CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL45631,8.74
+CNC(=O)[C@@H]1CCCCN(C)C(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL92385,8.41
+CNC(=O)[C@@H]1CCCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL328090,8.48
+CNC(=O)[C@@H]1CCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL433381,8.68
+CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88520,9.05
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1,CHEMBL321213,6.89
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110750,6.8
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C(F)(F)F)cc2)CS1,CHEMBL109770,6.62
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)s2)CS1,CHEMBL111678,6.77
+Cc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109655,6.8
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109603,6.7
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111257,7.22
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL111450,7.1
+C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109861,6.1
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL322795,7.3
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL422250,7.1
+CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109806,7.05
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110970,7.4
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL109579,6.8
+C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111179,7.4
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109353,7.1
+Cc1ccc(C2=NN=C(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109214,6.68
+COc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL419750,6.49
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc21)NO,CHEMBL323874,4.67
+COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL114804,6.69
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL420487,6.78
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325048,6.79
+O=C(C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL115082,4.66
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1,CHEMBL419751,8.49
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O,CHEMBL115712,5.38
+COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1,CHEMBL114357,4.81
+CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1,CHEMBL323929,5.93
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL325421,7.04
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL431680,5.75
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3c(F)cccc3F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL432990,7.68
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL324550,6.74
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL61193,10.217
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL43087,7.85
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL56837,10.01
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL58577,8.13
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL57644,8.7
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL60536,7.33
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL299141,6.93
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2S1(=O)=O,CHEMBL301303,7.72
+C[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O,CHEMBL277972,6.25
+COc1ccc2c(c1)NCCN([C@@H](C(=O)NO)C(C)C)S2(=O)=O,CHEMBL300394,6.12
+Cc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(C)n1,CHEMBL299796,5.74
+C[C@H](C(=O)NO)N1CCNc2cc(-c3ccccc3C(F)(F)F)ccc2S1(=O)=O,CHEMBL299883,5.67
+C[C@H](C(=O)NO)N1CCNc2cc(-c3ccccc3)ccc2S1(=O)=O,CHEMBL298635,8.1
+COc1ccc2c(c1)NCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL300707,5.98
+C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL51966,7.0
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL301157,7.1
+COc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL54663,6.46
+C[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O,CHEMBL52893,5.92
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2S1(=O)=O,CHEMBL298884,8.15
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3cccc([N+](=O)[O-])c3)ccc2S1(=O)=O,CHEMBL52659,7.02
+Cc1nc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)sc1C,CHEMBL53055,5.67
+C[C@H](C(=O)NO)N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O,CHEMBL52423,8.44
+Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)c1,CHEMBL297959,6.0
+COc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)cc(OC)c1,CHEMBL295710,6.01
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O,CHEMBL53233,8.52
+COc1ccc2c(c1)NCCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL54021,6.98
+COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103418,9.05
+O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1,CHEMBL322433,8.0
+O=C(NO)C1CCS(=O)(=O)N1CCc1ccc(-c2ccccc2)cc1,CHEMBL99733,6.15
+COc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1,CHEMBL100570,7.33
+CC(C)(C)c1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103563,8.07
+O=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1,CHEMBL100754,6.35
+CCN(CC)CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171292,7.78
+COc1ccc(P(=O)(OC(C)C)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173744,7.63
+CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172548,7.37
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2CC1C(=O)NO,CHEMBL171962,7.96
+CCOP(=O)(c1ccc(F)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172885,7.28
+CCOCCOc1ccc(P(=O)(OCC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL353536,7.85
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO,CHEMBL172249,8.95
+CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368857,8.2
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2nccnc2CC1C(=O)NO,CHEMBL177072,8.15
+CCOP(=O)(c1ccncc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171986,6.56
+CCOP(=O)(c1cccs1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL367710,7.23
+CCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368205,8.04
+CCOP(=O)(c1ccc(C)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172886,7.38
+CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL436049,7.02
+CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL539171,9.51
+CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173686,9.22
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2CC1C(=O)NO,CHEMBL173316,8.42
+COc1ccc(P(=O)(OC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL170315,8.69
+CCCCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL170429,8.18
+CCOP(=O)(/C=C/c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172722,7.05
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL366478,8.3
+COc1ccc(P(=O)(OCCc2ccccn2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173027,8.47
+CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL175164,7.42
+CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL355797,10.1
+CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL425316,10.0
+CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)NO,CHEMBL173235,8.28
+CCOP(=O)(c1ccccc1F)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173326,7.49
+COc1ccc(P(=O)(OCC2CCCCC2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173846,8.34
+CCOP(=O)(c1ccc(OC)cc1)N1CCCC1C(=O)NO,CHEMBL172181,6.5
+COc1ccc(P(=O)(OCCc2ccccc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL174315,8.28
+COc1ccc(P(=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173754,8.19
+CCOP(=O)(c1cccc(F)c1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172415,7.1
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,6.9
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,7.44
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122836,8.82
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,4.68
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,4.14
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,4.85
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,7.57
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,7.0
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,8.92
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,6.92
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,8.96
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,4.68
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,8.85
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,4.64
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,4.62
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,6.84
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,4.12
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,5.89
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,7.38
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,8.89
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293774,7.51
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,7.46
+COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1,CHEMBL440714,7.51
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,4.08
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,7.02
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,6.86
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL432223,8.77
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,5.05
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,6.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,9.22
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1,CHEMBL331342,8.89
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,4.22
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,8.37
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123775,9.22
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,4.11
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,7.0
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,8.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,8.7
+COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1,CHEMBL332120,7.55
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,4.47
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,4.92
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,6.9
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,8.34
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL306726,9.0
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,5.77
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,7.11
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,7.41
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,8.92
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,8.4
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,5.0
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,4.18
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,4.89
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,6.91
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,8.37
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122831,8.3
+COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C(C)C(=O)NO)cc1,CHEMBL450327,7.62
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,7.05
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL304281,8.36
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,4.16
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,4.89
+O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,CHEMBL440498,9.25
+O=C(C[C@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL261932,6.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)NO,CHEMBL298606,8.1
+CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL54697,7.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL51862,7.85
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1)NO,CHEMBL54981,7.8
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccccc1[N+](=O)[O-])NO,CHEMBL53051,7.85
+CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL280017,7.85
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1)NO,CHEMBL55154,8.05
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52532,7.54
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL54904,8.89
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO,CHEMBL298822,8.0
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO,CHEMBL52994,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)NO,CHEMBL299023,7.8
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1)NO,CHEMBL54617,8.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO,CHEMBL55744,7.85
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL417757,7.64
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO,CHEMBL54915,8.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=S)NC(=O)c1ccccc1)NO,CHEMBL54535,8.85
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL301085,8.52
+CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293305,8.0
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL54566,7.55
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL293528,9.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1)NO,CHEMBL56498,8.89
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL53847,8.51
+Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL297488,8.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO,CHEMBL56065,7.96
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,CHEMBL54501,7.48
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL55521,9.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO,CHEMBL55236,7.36
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,CHEMBL417749,7.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO,CHEMBL300807,8.15
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1,CHEMBL55561,7.64
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NO,CHEMBL417200,8.05
+CN(C)c1cccc2c(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12,CHEMBL292657,7.28
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)NO,CHEMBL54483,9.0
+CS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL293504,7.52
+Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL53949,7.57
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1)NO,CHEMBL56025,8.6
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL416304,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F)NO,CHEMBL54965,8.22
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL405600,7.44
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl)NO,CHEMBL55907,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL53457,7.77
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1)NO,CHEMBL56951,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO,CHEMBL54621,8.52
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL53116,7.68
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL54406,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F)NO,CHEMBL53094,7.54
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1)NO,CHEMBL54436,8.55
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)NO,CHEMBL439931,9.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1)NO,CHEMBL293357,8.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1)NO,CHEMBL55984,8.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO,CHEMBL299600,8.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO,CHEMBL53044,8.1
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c(C)c1,CHEMBL299091,7.41
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1)NO,CHEMBL55522,8.8
+CN(C)S(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL55107,7.37
+Cc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52531,8.1
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1)NO,CHEMBL53091,7.8
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO,CHEMBL54054,9.1
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL300362,8.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO,CHEMBL301786,7.77
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1)NO,CHEMBL292431,7.96
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C,CHEMBL301977,8.15
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1,CHEMBL53009,7.66
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1,CHEMBL301177,7.74
+CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCCC1CO)C(C)C,CHEMBL117720,6.48
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO,CHEMBL87229,8.48
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C,CHEMBL325015,7.96
+CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO,CHEMBL117296,5.25
+CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL324369,7.7
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL11306,8.85
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO,CHEMBL410259,8.92
+CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1,CHEMBL419301,8.42
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO,CHEMBL116318,8.89
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO,CHEMBL59023,9.51
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO,CHEMBL332891,6.3
+CCOP(=O)(N[C@H](CCC(=O)NCCc1ccccc1)C(=O)NO)c1ccc(OC)cc1,CHEMBL64571,7.63
+CCOP(=O)(N[C@H](CC(C)C)C(=O)NO)c1ccc(OC)cc1,CHEMBL59692,6.78
+CCOCCOc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL419503,7.19
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL93620,8.21
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90806,7.09
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL92767,6.8
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90321,8.32
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL93720,6.11
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1,CHEMBL327578,9.03
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](OC(C)=O)[C@@H]2C(=O)NO)cc1,CHEMBL317307,7.33
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2C(=O)NO)cc1,CHEMBL93067,6.51
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL330727,7.68
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL41821,7.01
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H]3OC(C)(C)O[C@@H]3[C@@H]2C(=O)NO)cc1,CHEMBL288843,6.93
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL288664,7.11
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL291264,7.92
+COc1ccc([P@@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL64689,6.39
+COc1ccc([P@](=O)(OCCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL155134,8.26
+COc1ccc([P@@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154999,6.45
+CCOCCOc1ccc([P@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL346575,7.62
+COc1ccc([P@@](=O)(OCC(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL358149,6.32
+CCOCCOc1ccc([P@](=O)(OCC)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347209,7.85
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL70430,9.24
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1,CHEMBL306871,8.85
+CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL306912,9.08
+CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305222,9.02
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1,CHEMBL308598,7.89
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1,CHEMBL70426,8.06
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1,CHEMBL72337,8.28
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(O)cc1,CHEMBL71630,8.19
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71468,7.38
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70570,8.6
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,CHEMBL308012,8.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCc2ccccc21,CHEMBL152104,7.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL70953,7.13
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1,CHEMBL70965,9.17
+CNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305780,8.39
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1,CHEMBL306224,8.92
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1,CHEMBL306470,8.52
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1,CHEMBL307090,8.96
+CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL303155,8.82
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL422948,8.72
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1,CHEMBL310249,8.82
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@@H]1O,CHEMBL304617,8.42
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1,CHEMBL71071,8.43
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1,CHEMBL70354,8.44
+CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71618,9.0
+CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70315,9.15
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCc2ccccc21,CHEMBL151741,7.52
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1,CHEMBL70417,9.11
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL70406,8.2
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1,CHEMBL69072,7.59
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL302954,8.16
+CCCCCO[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71014,7.59
+CNC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL74175,8.55
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1,CHEMBL302368,8.3
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1,CHEMBL302311,8.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCc1ccccc1,CHEMBL69024,8.82
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1,CHEMBL306524,8.96
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1,CHEMBL71800,8.52
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70398,8.64
+CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL68890,9.27
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)OC(C)C,CHEMBL70639,7.74
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOC)CC(C)C,CHEMBL308429,8.1
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1,CHEMBL74182,8.96
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1,CHEMBL72788,8.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1,CHEMBL71995,9.05
+CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71713,8.15
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C,CHEMBL71801,6.57
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C,CHEMBL70049,7.66
+CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70492,8.89
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL303918,7.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO,CHEMBL420932,9.12
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1,CHEMBL72743,8.52
+CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL306189,9.2
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCc1ccccc1)CC(C)C,CHEMBL430612,7.89
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70571,8.77
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCC(=O)OC)CC(C)C,CHEMBL308032,6.24
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCCN1CCOCC1,CHEMBL68149,8.46
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1,CHEMBL308397,8.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL68049,7.16
+CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL304045,5.35
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1,CHEMBL69506,8.57
+CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71482,9.39
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL308228,8.6
+CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL72678,8.8
+CC(C)C[C@@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL66098,7.48
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL68553,7.47
+CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL66181,7.77
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O,CHEMBL304295,7.55
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69596,7.62
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69418,7.54
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C)[C@H](C)N(O)C=O,CHEMBL302941,7.77
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O,CHEMBL307773,7.05
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C,CHEMBL66970,7.68
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1)[C@H](C)N(O)C=O,CHEMBL68812,7.01
+CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1,CHEMBL68667,7.14
+CNC(=O)[C@@H]1CCCNCCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL34085,7.68
+CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32631,7.72
+CNC(=O)[C@@H]1CCCN(C(C)=O)CC(C)CO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32596,7.89
+CNC(=O)[C@@H]1CCCN(C(C)=O)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32325,8.22
+CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32310,8.7
+O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccc3ncccc3c2)cc1,CHEMBL334446,6.06
+O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cccc3ncccc23)cc1,CHEMBL341702,5.87
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137383,6.6
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OC4CC4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137365,6.68
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137065,6.44
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL423906,6.51
+COC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL137732,6.12
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4cscn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137323,6.53
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4nccs4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL422821,6.11
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)O,CHEMBL306724,5.0
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)O)CC(C)C,CHEMBL309794,4.72
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)NO,CHEMBL75419,5.82
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)NO)CC(C)C,CHEMBL306985,6.21
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL308799,6.74
+CCCCCCC(CC(=O)NO)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL77013,6.68
+CCCCCCC(CC(=O)O)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL311393,6.54
+CNC(=O)[C@@H]1CCCCNC(=O)C[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL46183,5.01
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL50228,5.18
+CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(=O)O,CHEMBL48786,6.39
+CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL298167,5.24
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccc(-c3ccccc3)cc2)C(=O)N1,CHEMBL48256,6.54
+C=C[C@@H]1OC(c2ccc(Oc3ccccc3)cc2)=N[C@H]1CO,CHEMBL187282,4.49
+C=C[C@@H]1OC(/C=C/c2ccc(Br)cc2)=N[C@H]1CO,CHEMBL186648,4.66
+C=C[C@@H]1OC(/C=C\C=C\c2ccccc2)=N[C@H]1CO,CHEMBL187079,5.1
+C=C[C@@H]1OC(C#Cc2ccccc2)=N[C@H]1CO,CHEMBL364783,4.19
+C=C[C@@H]1OC(/C=C/c2ccccc2)=N[C@H]1S,CHEMBL186559,4.03
+C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1SC(C)=O,CHEMBL363675,4.06
+C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1Sc1ccccc1,CHEMBL187808,4.03
+C=C[C@@H]1OC(c2ccc(-c3ccccc3)cc2)=N[C@H]1SC(C)=O,CHEMBL363953,4.09
+C=C[C@@H]1OC(Cc2ccccc2)=N[C@H]1CO,CHEMBL186538,5.22
+C=C[C@@H]1OC(/C=C/c2ccccc2)=N[C@H]1CO,CHEMBL365827,4.4
+C=C[C@@H]1OC(c2ccc(C)cc2)=N[C@H]1CO,CHEMBL184058,4.17
+C=C[C@@H]1OC(c2ccc(-c3ccccc3)cc2)=N[C@H]1CO,CHEMBL186998,4.62
+C=C[C@@H]1OC(c2ccc(Cl)cc2)=N[C@H]1CO,CHEMBL424792,4.48
+C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1CO,CHEMBL181707,5.05
+CC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O,CHEMBL191076,6.07
+Cc1cc(COc2ccc(C3(N4CCN(CCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL193945,7.07
+Cc1cc(COc2ccc(C3(N4CCN(CCCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL373154,5.69
+Cc1cc(COc2ccc(C3(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL190215,6.86
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL363424,8.3
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@H]1C(=O)NO,CHEMBL190493,6.46
+CCOP(=O)(c1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL191135,7.37
+CCOP(=O)(c1ccc(C)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL189176,7.38
+CCOP(=O)(c1ccc(F)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL364485,7.285
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccccc3)cc2)C(=O)N1,CHEMBL178509,8.33
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N1,CHEMBL180616,9.143
+COC(=O)c1ccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)cc1,CHEMBL359716,8.92
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(C(=O)O)cc3)cc2)C(=O)N1,CHEMBL180275,9.14
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)N1,CHEMBL178163,8.72
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(C(C)C)C3)cc2)c2ccccc2n1,CHEMBL184553,5.68
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1,CHEMBL184302,5.82
+COc1ccc(P(=O)(OC)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL193124,8.69
+COc1ccc(P(=O)(OC2CCCCC2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL372470,8.18
+COc1ccc(P(=O)(OCC2CCCCC2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL192121,8.34
+COc1ccc(P(=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL190713,8.19
+CCN(CC)CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL191318,7.78
+COc1ccc(P(=O)(OCCc2ccccn2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL192719,8.47
+CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL370032,8.2
+CCOP(=O)(c1cccc(F)c1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL363351,7.1
+CCOP(=O)(c1ccccc1F)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL364694,7.49
+CCOP(=O)(c1ccncc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL371362,6.56
+CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL189330,7.02
+CCOP(=O)(c1cccs1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL364547,7.23
+CCOCCOc1ccc(P(=O)(OCC)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL193080,7.85
+CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL372702,9.51
+CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL189690,10.1
+CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL190232,9.22
+CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL190621,10.0
+CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL189945,7.42
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2C[C@@H]1C(=O)NO,CHEMBL187733,7.96
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2C[C@@H]1C(=O)NO,CHEMBL426449,8.42
+CCOP(=O)(c1ccc(OC)cc1)N1CC2Nc3ccccc3C2C[C@@H]1C(=O)NO,CHEMBL190712,8.95
+CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)NO,CHEMBL365588,8.28
+CCOP(=O)(c1ccc(OC)cc1)N1CCC[C@@H]1C(=O)NO,CHEMBL190683,6.5
+CNC(=O)C1CCCCNC(=O)CCC(C(=O)O)NC(CCc2ccccc2)C(=O)N1,CHEMBL381189,5.18
+CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O,CHEMBL204357,8.3
+Cc1cc(COc2ccc(NC(=O)[C@@H]3CCCC[C@@]34NC(=O)NC4=O)cc2)c2ccccc2n1,CHEMBL393444,6.75
+Cc1cc(COc2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL246563,6.0
+CC#CCOc1ccc(S(=O)(=O)CCCS)cc1,CHEMBL402747,5.2
+Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL251994,5.9
+Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL401471,5.84
+CSc1nc2ccccc2n1Cc1ccc([C@]2(N)CCN([C@H](CC(C)C)C(=O)NO)C2=O)cc1,CHEMBL251866,6.03
+C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL271235,5.76
+Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL256598,5.73
+O=S(=O)(CCC(S)CS)c1ccc(Oc2ccccc2)cc1,CHEMBL520785,7.0
+CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL485492,6.89
+CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL445971,6.74
+O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1,CHEMBL483857,6.22
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1,CHEMBL507420,5.9
+COc1ccccc1SC[C@H](CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL447457,7.45
+O=C(NO)C(CNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1,CHEMBL496717,6.64
+O=C(NO)C(CNS(=O)(=O)c1ccc(I)cc1)NS(=O)(=O)c1ccc(I)cc1,CHEMBL497961,8.59
+O=C(NO)C(CNS(=O)(=O)c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1,CHEMBL522573,6.82
+O=C(NO)C(CNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL526460,6.64
+O=C(NO)C(CNS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1,CHEMBL496716,5.56
+O=C(NO)C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL521881,5.1
+O=C(NO)C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL497762,5.77
+COc1ccc(S(=O)(=O)NCC(NS(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1,CHEMBL497761,7.41
+COc1ccc(S(=O)(=O)NCCC[C@H](NS(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1,CHEMBL496496,5.38
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)CC(C)C,CHEMBL508335,8.44
+COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078396,4.0
+CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651842,8.3
+CCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651843,6.48
+CCCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651844,6.28
+CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651845,6.42
+CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651846,5.41
+CCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651847,4.92
+CCCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651848,5.21
+CC(C)CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651849,5.46
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770629,4.05
+CNc1nc([C@H]2c3ccccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770826,5.0
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CCOCC1,CHEMBL1771215,5.92
+COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CC1,CHEMBL1771216,6.8
+Cc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)nc1,CHEMBL1771217,5.62
+Cc1ccc(-c2nnnn2CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)nc1,CHEMBL1771218,6.37
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CCOCC1,CHEMBL1771219,5.8
+CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CC1,CHEMBL1771220,6.43
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cnc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1,CHEMBL1771221,5.74
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771223,5.77
+O=C(NCc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779630,4.96
+N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834421,4.73
+N=C(N)NCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834420,4.71
+N[C@@H](CCC(=O)O)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834419,5.37
+NCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834418,5.8
+NCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834417,5.51
+Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834422,6.06
+CO[C@H](C[C@H](CCCCNCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1,CHEMBL1760318,4.68
+CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1,CHEMBL2012838,4.96
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(F)cc2)cc1,CHEMBL2063270,7.36
+O=S(=O)(CC1CS1)c1ccc(Oc2cccc(F)c2)cc1,CHEMBL2063271,5.52
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(I)cc2)cc1,CHEMBL2063272,6.54
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(CO)cc2)cc1,CHEMBL2063273,6.41
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(O)cc2)cc1,CHEMBL2063274,6.8
+CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063275,6.33
+COCOc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063276,6.8
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1,CHEMBL2063277,6.03
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL85030,7.57
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2153737,8.0
+O=S(=O)(N[C@@H]1CNC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380405,6.64
+O=S(=O)(N[C@H]1CNC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380399,6.66
+NCCCCCC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380404,4.52
+NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380403,8.44
+CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380402,8.82
+O=C(NCCN1C(=O)c2ccccc2C1=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380314,8.62
+CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL2380401,8.96
+NC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380400,7.82
+O=C(N[C@H]1CCC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380398,5.37
+O=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380396,7.38
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380395,7.51
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(-c2ccccc2)cc1,CHEMBL2380394,6.2
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccccc1,CHEMBL2380393,5.02
+O=S(=O)(N[C@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380392,6.55
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380390,9.01
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380389,8.41
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380388,8.31
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(C)=O)C[C@H]1S,CHEMBL2380387,8.24
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S,CHEMBL2380406,8.28
+CC(C)OC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442888,5.57
+CCCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442887,5.96
+CCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442886,6.07
+COC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442885,6.74
+CNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442881,5.0
+CCCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442879,4.28
+CCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442878,4.92
+CNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442893,5.0
+CC(C)OC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442892,5.89
+CCCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442891,6.0
+CCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442890,6.03
+COC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442889,6.64
+O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,CHEMBL3675573,6.19
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL1232487,6.25
+NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CCCOC=O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670699,6.22
+Cc1ccc(-c2ccc(CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc2)s1,CHEMBL3675592,6.62
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)s2)cc1,CHEMBL3675593,6.06
+CC[C@H](NC(=O)CCc1ccc(-c2csnn2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3670720,6.7
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1,CHEMBL3675560,6.41
+O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,CHEMBL3675603,6.4
+CC[C@H](NC(=O)CCc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675543,6.21
+NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670691,6.92
+NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1,CHEMBL3675585,6.07
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(C#Cc2ccccc2)cc1,CHEMBL3670715,6.63
+CC[C@H](NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675557,6.16
+O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,CHEMBL3675591,6.55
+CC[C@H](NC(=O)CCc1ccc(-c2ccsc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,CHEMBL3675542,6.85
diff --git a/chembl_200/CHEMBL322.csv b/chembl_200/CHEMBL322.csv
new file mode 100644
index 0000000000000000000000000000000000000000..2f6d43099c71306edbf0669ded06997e085799aa
--- /dev/null
+++ b/chembl_200/CHEMBL322.csv
@@ -0,0 +1,1274 @@
+CCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL367921,6.98
+COc1cc(CCN)c2c(c1OC)OCC2,CHEMBL102347,5.6
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1,CHEMBL35057,9.24
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,5.3
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,6.6
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,7.74
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,7.04
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,6.7
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,8.18
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,8.32
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,6.89
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1,CHEMBL127411,6.49
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,7.08
+Cc1ccc(-c2cc(Cl)nc(N3CCN(C)CC3)n2)cc1,CHEMBL57209,6.24
+CN1CCN(c2nc(-c3ccoc3)cc(-c3ccco3)n2)CC1,CHEMBL42061,7.89
+CN1CCN(c2nccc(-c3ccccc3)n2)CC1,CHEMBL45158,5.68
+CN1CCN(c2nccc(-c3ccoc3)n2)CC1,CHEMBL42130,8.0
+CN1CCN(c2nc(-c3ccoc3)cc(-c3ccoc3)n2)CC1,CHEMBL297785,8.1
+CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1,CHEMBL294669,7.43
+CN1CCN(c2nc(-c3ccoc3)cc(-c3cc4ccccc4s3)n2)CC1,CHEMBL291729,7.26
+CN1CCN(c2nccc(-c3ccsc3)n2)CC1,CHEMBL57137,6.72
+CN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1,CHEMBL292206,7.68
+CN1CCN(c2nc(-c3ccccc3)cc(-c3ccoc3)n2)CC1,CHEMBL43434,8.05
+CN1CCN(c2nc(Cl)cc(-c3ccoc3)n2)CC1,CHEMBL55933,7.39
+CN1CCN(c2nc(-c3ccco3)cc(-c3cccs3)n2)CC1,CHEMBL56197,7.43
+CN1CCN(c2nccc(-n3ccnc3)n2)CC1,CHEMBL57244,6.42
+CN1CCN(c2nccc(-c3ccco3)n2)CC1,CHEMBL295689,6.13
+Cc1c(-c2cccs2)nc(N2CCN(C)CC2)nc1-c1cccs1,CHEMBL56493,7.77
+CN1CCN(c2nc(-c3cc4ccccc4o3)cc(-c3cccn3C)n2)CC1,CHEMBL59038,6.87
+CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4o3)n2)CC1,CHEMBL294035,6.96
+CN1CCN(c2cc(-c3cccs3)nc(Cl)n2)CC1,CHEMBL56931,5.57
+Cc1cc(-c2ccoc2)nc(N2CCN(C)CC2)n1,CHEMBL43486,7.3
+CN1CCN(c2nc(-c3ccoc3)cc(-c3cccs3)n2)CC1,CHEMBL289064,8.0
+CN1CCN(c2nccc(-c3cccs3)n2)CC1,CHEMBL42261,6.68
+CN1CCN(c2cc(-c3ccco3)nc(Cl)n2)CC1,CHEMBL56224,5.22
+Cc1ccc(-c2cc(N3CCN(C)CC3)nc(Cl)n2)cc1,CHEMBL56116,5.37
+CN1CCN(c2nc(Cl)cc(-c3cccs3)n2)CC1,CHEMBL57027,6.455
+CN1CCN(c2nc(-c3cccs3)cc(-c3cccs3)n2)CC1,CHEMBL43163,8.1
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,5.1
+Cn1ccc2ccc3c(c21)CCN3C(=O)Nc1cccnc1,CHEMBL147368,5.5
+CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL148385,5.9
+Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3,CHEMBL148347,5.5
+CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL2112859,5.5
+O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21,CHEMBL357870,5.8
+Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1,CHEMBL148346,6.4
+Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL297784,6.3
+O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21,CHEMBL343666,6.6
+Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3,CHEMBL315223,5.7
+CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL147820,5.4
+CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL144567,5.3
+Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1,CHEMBL343455,5.5
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL48205,6.27
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12,CHEMBL52384,6.86
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL52096,6.03
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12,CHEMBL265805,5.63
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL51681,5.97
+COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1,CHEMBL298108,5.51
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL48194,5.71
+COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL51767,6.76
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL143022,7.29
+O=C1CC(CN2CCN(c3ccccc3)CC2)Cc2occc21,CHEMBL141600,7.66
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL143027,8.067
+O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1,CHEMBL142668,6.02
+O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1,CHEMBL142316,5.9
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21,CHEMBL143937,5.08
+O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL543613,8.56
+O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL545488,6.54
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL2111783,8.4
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL119687,8.06
+CN1CCN(C2Cn3cccc3Sc3ccccc32)CC1,CHEMBL333246,7.6
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL2111781,8.76
+CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1,CHEMBL2111782,7.735
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,9.64
+CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL333455,8.365
+CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL368324,8.83
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,9.85
+Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,CHEMBL715,8.391
+CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL93240,9.4
+CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118889,8.235
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL116542,7.645
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,9.48
+CN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL120512,8.94
+CCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL333955,7.64
+CN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL121274,7.92
+CN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL332600,8.29
+O=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2,CHEMBL35565,8.84
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(F)cc2N1,CHEMBL35040,9.45
+CCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL287605,8.84
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,9.38
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1,CHEMBL35743,9.52
+O=c1[nH]c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2s1,CHEMBL284847,9.57
+CC1(C)C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL37633,9.48
+O=c1[nH]c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2o1,CHEMBL35085,9.81
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2,CHEMBL155006,7.04
+CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,CHEMBL460,5.85
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2,CHEMBL349997,6.04
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1,CHEMBL87026,7.882000000000001
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL87717,8.6
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1,CHEMBL87458,8.42
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,8.78
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL87943,8.11
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ccccc21,CHEMBL155486,8.57
+O=C1c2sccc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL111352,8.17
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,6.29
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL163012,8.335
+O=C(CCCN1CCN(CCC2Cc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95112,7.37
+O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1,CHEMBL163180,6.76
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21,CHEMBL109548,7.58
+COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1,CHEMBL109528,5.82
+O=C1c2ccsc2CC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL263790,8.76
+COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL110847,6.84
+COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1,CHEMBL121744,6.2
+O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1,CHEMBL325253,6.97
+O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL160907,7.27
+O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL164471,8.97
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL109673,8.84
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1,CHEMBL159969,8.15
+COc1ccccc1N1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL161423,6.71
+COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL92145,7.39
+COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL160019,6.72
+O=C1c2ccoc2CCC1CCN1CCN(c2ccccn2)CC1,CHEMBL159917,6.45
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1,CHEMBL310734,7.75
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21,CHEMBL111393,7.24
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21,CHEMBL320572,8.172
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1,CHEMBL444269,6.05
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1,CHEMBL159929,7.71
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21,CHEMBL120903,8.04
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL111509,7.34
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1,CHEMBL321682,7.95
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21,CHEMBL333174,8.8
+O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95098,6.91
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(CCCC(=O)c3ccc(F)cc3)CC1)C2,CHEMBL163605,6.22
+O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL96781,7.14
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2,CHEMBL349832,6.55
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL162901,8.135
+O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2sccc21,CHEMBL159466,5.75
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21,CHEMBL308480,8.8
+O=C1C(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC2=CC=CC12,CHEMBL111453,8.76
+O=C(c1ccc(F)cc1)C1CCN(CCC2CC3=CC=CC3C2=O)CC1,CHEMBL111627,8.15
+O=C(CCCN1CCN(CCC2CC3=CC=CC3C2=O)CC1)c1ccc(F)cc1,CHEMBL321159,7.37
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(=O)[nH]c12,CHEMBL74208,5.87
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OCC=C(C)C)cc12,CHEMBL74594,5.2
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL6621,6.65
+CCCCCCCN(C)C(=N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL76552,5.63
+Oc1ccc2[nH]cc(/C=N/Nc3ncc[nH]3)c2c1,CHEMBL77734,5.79
+N=C(N)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL542405,6.62
+c1ccc(CN2CCN(c3nc4ncccc4n4cccc34)CC2)cc1,CHEMBL137621,6.1
+Cc1cccc2nc(N3CCN(C)CC3)c3cccn3c12,CHEMBL136978,6.3
+c1csc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c1,CHEMBL337101,5.8
+OCCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1,CHEMBL136108,6.3
+Cc1cccc2nc(N3CCNCC3)c3cccn3c12,CHEMBL342690,6.0
+Cc1ccc2c(c1)C1CCNC(Cc3cccc4ccccc34)C1N2,CHEMBL1202891,8.45
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC,CHEMBL96559,7.65
+COc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1OC,CHEMBL323330,7.18
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,5.79
+CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1,CHEMBL316069,6.2
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC,CHEMBL94644,7.78
+COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC,CHEMBL96480,8.33
+Cc1ccc2c(c1F)C1CCNC(Cc3cccc4ccccc34)C1N2,CHEMBL96485,8.57
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC,CHEMBL95121,7.71
+COc1ccc(CC2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC,CHEMBL319009,8.53
+COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC,CHEMBL96782,8.06
+C[C@H](N)Cc1c2c(c(C(F)(F)F)c3c1OCC3)OCC2,CHEMBL268542,8.7
+C[C@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL263078,8.59
+C[C@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12,CHEMBL6907,9.49
+C[C@H](N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL268587,6.64
+C[C@@H](N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL6706,9.51
+C[C@@H](N)Cc1c2ccoc2cc2ccoc12,CHEMBL6871,8.82
+C[C@H](N)Cc1c2ccoc2cc2ccoc12,CHEMBL6838,7.42
+C[C@@H](N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL268072,7.26
+C[C@@H](N)Cc1c2c(c(C(F)(F)F)c3c1OCC3)OCC2,CHEMBL6452,9.15
+C[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12,CHEMBL7132,9.54
+C[C@H](N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL263083,9.17
+CCN(CC)CCc1c[nH]c2ccccc12,CHEMBL142936,6.88
+CCN(CC)CCc1c[nH]c2ccc(OC)cc12,CHEMBL342986,7.38
+CCN(CC)CCc1c[nH]c2cc(F)ccc12,CHEMBL444612,6.84
+COc1cc2c(CCN(C)C)c[nH]c2cc1F,CHEMBL337590,7.48
+CCN(CC)CCc1c[nH]c2cccc(O)c12,CHEMBL143202,7.6
+CN(C)CCc1c[nH]c2c(F)ccc(O)c12,CHEMBL142368,7.89
+COc1ccc2[nH]cc(CCN(C)C)c2c1F,CHEMBL142862,6.91
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL331864,8.03
+COc1ccc2occ3c2c1[C@H](CN)CC3,CHEMBL119584,6.7
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL119323,8.06
+COc1cc(Br)c2occ3c2c1[C@H](CN)CC3,CHEMBL116940,8.59
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.42
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,9.0
+COc1ccc2[nH]cc(CC(C)N)c2c1,CHEMBL31115,8.8
+C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL135076,9.3
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,9.7
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,9.52
+NCCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL27173,9.22
+Cn1cc(CCN)c2c3c(ccc21)OCCC3,CHEMBL25800,8.96
+CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3,CHEMBL131736,9.7
+COc1cc(C[C@@H](C)N)c(OC)cc1I,CHEMBL134519,10.0
+CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL412876,8.39
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,9.7
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,6.32
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,8.15
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,8.72
+CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1,CHEMBL341474,6.91
+CN1CCC[C@H]1Cc1c[nH]c2cc(O)ccc12,CHEMBL336800,5.33
+COc1ccc2[nH]cc(C3CCN(C)C3)c2c1,CHEMBL132592,5.89
+COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL137485,6.4
+CN1CCC(c2c[nH]c3cccc(O)c23)C1,CHEMBL336126,6.36
+CN1CCC[C@@H]1Cc1c[nH]c2cc(O)ccc12,CHEMBL131745,6.68
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL91021,5.33
+COc1ccccc1N1CCN(CCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL2112361,7.07
+Cn1c(=O)c2c(nc3n2CCCN3CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL86719,6.61
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O,CHEMBL2112363,6.49
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL195849,7.07
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112362,6.36
+COc1ccccc1N1CCN(CCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2112360,6.61
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL191907,7.25
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112359,7.19
+COc1ccccc1N1CCN(CCCN2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL328292,6.28
+COc1ccccc1N1CCN(CCCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL193867,6.06
+COc1ccccc1N1CCN(CCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL91588,5.41
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O,CHEMBL193595,7.14
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL2112351,6.63
+COc1ccccc1N1CCN(CCCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL425567,6.08
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,6.49
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,CHEMBL2,5.82
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL420997,5.92
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.92
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,7.19
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,6.85
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL97650,7.26
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,6.3
+Cn1nnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL330603,7.96
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cn[nH]n4)cc23)CC1,CHEMBL97422,7.52
+Cn1ccnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL318735,7.66
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1,CHEMBL329280,6.89
+Cn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL328940,7.37
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,6.59
+Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL328048,8.22
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,7.22
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,6.3
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,6.85
+CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL330171,7.68
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL421573,7.43
+CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL318249,7.22
+Cn1cnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL327662,6.8
+Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL98299,8.05
+Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL97184,7.92
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nn[nH]n4)cc23)CC1,CHEMBL95169,6.68
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,7.22
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,6.96
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL94612,7.39
+CN1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1,CHEMBL352107,5.59
+CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL43355,5.52
+CN1CCN(c2nc3ccccc3c3c2CC2CCC3C2)CC1,CHEMBL287987,5.43
+CCOc1c(OC)cc(CCN)cc1OC,CHEMBL319415,5.68
+CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL89970,8.4
+C=CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL544418,7.66
+CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL556969,8.22
+CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL432762,7.33
+CN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL163863,8.22
+CN1CCC(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL539057,8.52
+CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL90882,8.52
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL163239,6.12
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL94067,5.895
+CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL542029,8.35
+CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL544184,7.14
+CN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL554670,8.22
+C=CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL555362,7.7
+CCCN(CCC)[C@H]1Cc2c(OC)ccc3c2[C@@H](CO3)C1,CHEMBL304498,6.19
+COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2,CHEMBL307770,5.41
+COc1ccc2c3c1C[C@H](N(C)C)C[C@@H]3CO2,CHEMBL66241,6.01
+C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL90654,7.13
+C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL89719,6.7
+CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL7430,8.52
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,7.41
+C=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL327713,7.52
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,6.85
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,7.96
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,7.96
+CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL88464,8.52
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,6.64
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,8.52
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,6.6
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,8.7
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,7.01
+CC(N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL149024,9.64
+COc1ccc2[nH]cc(CCN3CCCC3)c2c1F,CHEMBL352186,6.89
+OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL18972,8.6
+CN1CCN(/C(=C/c2ccccc2)c2ccccc2)CC1,CHEMBL18955,6.48
+c1ccc(CCCCN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL19375,6.62
+c1ccc(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL18592,8.16
+O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL19615,7.21
+O=C(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL19589,8.02
+C(=C(\c1ccccc1)C1CCN(CCCCc2ccccc2)CC1)\c1ccccc1,CHEMBL18929,7.01
+OC(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL18905,6.58
+O=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19262,8.0
+C(\Cc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL415996,7.0
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL19491,8.07
+O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(C(c2ccccc2)c2ccccc2)CC1,CHEMBL273766,7.74
+Fc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1,CHEMBL18588,7.4
+c1ccc(CCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL19338,7.7
+C(=C(\c1ccccc1)N1CCN(CCCCc2ccccc2)CC1)\c1ccccc1,CHEMBL18719,6.85
+c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL276784,6.92
+Fc1ccc(CC2CCN(CCc3ccccc3)CC2)cc1,CHEMBL416911,7.74
+O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19259,8.28
+CN1CCC(C(=O)c2ccccc2)CC1,CHEMBL19204,6.22
+O=C(c1ccccc1)N1CCN(CCCCc2ccccc2)CC1,CHEMBL19351,6.74
+c1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL18222,7.66
+OC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL18904,6.9
+C(\CCc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19255,7.28
+CN1CCC(/C(=C/c2ccccc2)c2ccccc2)CC1,CHEMBL18930,6.89
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL417637,8.52
+C(=C(/c1ccccc1)C1CCN(CCc2ccccc2)CC1)\c1ccccc1,CHEMBL18880,7.72
+Fc1ccc(OC(CC2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL348492,6.71
+FC(F)(F)c1cccc(OC(CCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)c1,CHEMBL348235,7.55
+Fc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1,CHEMBL348005,6.85
+CN1CCC(C(Oc2ccc(F)cc2)c2ccccc2)CC1,CHEMBL357341,7.35
+Fc1ccc(OC(c2cccc(F)c2)C2CCNCC2)cc1,CHEMBL356403,6.44
+O=C(CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1,CHEMBL153716,7.26
+O=[N+]([O-])c1ccc(OC(CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL153684,7.27
+Nc1ccc(OC(CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL150578,7.84
+Fc1ccccc1OC(CCN1CCN(c2noc3ccccc23)CC1)c1ccccc1,CHEMBL357308,7.76
+COc1ccc(OC(CCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL346203,7.99
+COc1ccc(OC(CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1,CHEMBL421787,7.27
+FC(F)(F)c1ccc(OC(CCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL151043,7.4
+Fc1ccccc1OC(CCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1,CHEMBL152997,8.28
+FC(F)(F)c1ccccc1OC(CCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1,CHEMBL150333,7.62
+COc1ccc(OC(CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1,CHEMBL153685,7.72
+O=C(CCC(Oc1ccccc1F)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1,CHEMBL356250,8.1
+O=C(CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1,CHEMBL153391,7.64
+c1ccc(-c2ccccc2OC(c2ccccc2)C2CCNCC2)cc1,CHEMBL152083,6.83
+Nc1ccc(OC(CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1,CHEMBL423034,7.79
+CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1,CHEMBL152408,8.6
+CN1CCC(=C2c3ccccc3Oc3ccccc32)CC1,CHEMBL152407,8.4
+CN1CCC(=C(c2ccccc2)c2ccccc2)CC1,CHEMBL347536,7.89
+CC(=C1CCN(C)CC1)c1ccccc1,CHEMBL152289,6.45
+CN1CCC(=C2c3ccccc3-c3ccccc32)CC1,CHEMBL348199,6.7
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,8.633
+CN1CCC(=C2c3ccccc3CCc3ccccc32)CC1,CHEMBL152622,8.05
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,8.1
+NCC1c2ccccc2Sc2ccccc21,CHEMBL152509,7.19
+NCC1c2ccccc2C=Cc2ccccc21,CHEMBL46619,5.38
+CN1CCC(=C2c3ccccc3Cc3ccccc32)CC1,CHEMBL348459,9.15
+NCC(c1ccccc1)c1ccccc1,CHEMBL10780,5.24
+NCC1c2ccccc2CCc2ccccc21,CHEMBL44819,6.955
+NCC1c2ccccc2-c2ccccc21,CHEMBL415906,4.68
+NCCc1ccccc1,CHEMBL610,4.77
+NCC1c2ccccc2Oc2ccccc21,CHEMBL155276,6.77
+NCC1c2ccccc2Cc2ccccc21,CHEMBL47482,7.7
+COc1ccc(OCc2ccccc2)cc1CCN,CHEMBL112792,6.525
+COc1cc(CCCC2CCCCC2)ccc1CCN,CHEMBL114445,6.48
+COc1ccc(CCCc2ccccc2)cc1CC(C)N,CHEMBL113215,7.805
+COc1ccc(OCCc2ccc(Br)cc2)cc1CCN,CHEMBL109763,7.25
+COc1cc(C#CCCCc2ccccc2)ccc1CCN,CHEMBL110802,6.575
+COc1ccc(CCCC2CCCCC2)cc1CCN,CHEMBL111912,6.27
+COc1cc(-c2ccccc2)ccc1CCN,CHEMBL322262,5.24
+COc1cc(CCCCc2ccccc2)ccc1CCN,CHEMBL110740,7.305
+COc1ccc(OCCc2ccccc2)cc1CCN,CHEMBL320725,6.29
+COc1ccc(-c2ccccc2)cc1CCN,CHEMBL321471,5.64
+COc1cc(CCCc2ccccc2)ccc1CCN,CHEMBL110151,7.83
+COc1cc(OCCc2ccccc2)ccc1CCN,CHEMBL327128,6.86
+COc1ccc(CCCc2ccccc2)cc1CCN,CHEMBL326565,7.61
+COc1ccc(CCCCc2ccccc2)cc1CCN,CHEMBL112590,7.11
+COc1ccc(CCc2ccccc2)cc1CCN,CHEMBL322357,6.62
+COc1cc(Cc2ccccc2)ccc1CCN,CHEMBL111061,7.64
+COc1cc(CCCc2ccccc2)ccc1CC(C)N,CHEMBL105381,8.1
+COc1ccc(CCCCCc2ccccc2)cc1CCN,CHEMBL112768,6.96
+COc1cc(CCc2ccccc2)ccc1CCN,CHEMBL111708,7.34
+COc1ccc(Cc2ccccc2)cc1CCN,CHEMBL419563,6.75
+COc1ccc(OC)c(CCN)c1,CHEMBL287047,5.535
+COc1ccc(C#CCCCc2ccccc2)cc1CCN,CHEMBL332919,6.53
+COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1,CHEMBL8334,7.68
+Fc1ccc(CCN2CCC3(CCc4cccc(F)c4O3)CC2)c(F)c1,CHEMBL149423,8.49
+N#Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL150220,8.82
+O=S(=O)(c1ccccc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL145939,9.74
+Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c2c1,CHEMBL504699,7.92
+NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL148058,8.96
+O=C(CCCN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL343411,8.48
+N#Cc1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1,CHEMBL147048,9.27
+OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL146144,9.23
+O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL83894,10.22
+O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2,CHEMBL122761,7.6
+O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2,CHEMBL146595,9.21
+Fc1ccc(CCN2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1,CHEMBL148348,8.49
+OC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1,CHEMBL149510,7.54
+Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1,CHEMBL147431,9.14
+COc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2,CHEMBL357807,9.42
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL146620,9.29
+c1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1,CHEMBL148418,8.59
+O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL149429,9.6
+Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1,CHEMBL147164,8.4
+COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2,CHEMBL146233,9.16
+N#Cc1ccccc1S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1,CHEMBL146998,8.32
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,8.1
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,8.04
+c1ccc2c3c([nH]c2c1)CNCC3,CHEMBL269236,5.452999999999999
+CN1CCN(c2cc3c4c(cccc4n2)-c2ccccc2-3)CC1,CHEMBL43512,4.89
+CN1CCN(c2nc3ccccc3c3c2CCc2sccc2-3)CC1,CHEMBL288069,5.51
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL285066,7.87
+Brc1cccc2[nH]c3c(c12)CCN=C3,CHEMBL267599,6.575
+Brc1cccc2c3c([nH]c12)CNCC3,CHEMBL6857,7.667000000000001
+NCC1c2ccccc2CCc2cc(CCCc3ccccc3)ccc21,CHEMBL85718,7.09
+NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc21,CHEMBL83082,8.49
+NCC1c2ccccc2CCc2cc(Br)ccc21,CHEMBL87648,7.43
+COc1ccc2c(c1)CCc1ccccc1C2CN,CHEMBL313694,6.1
+NCC1c2ccccc2Cc2cc(Br)ccc21,CHEMBL85882,8.89
+COc1cc(OC)c(OC)cc1CC(C)N,CHEMBL8389,5.92
+CCCCCCc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL86760,8.15
+CCCCCCc1ccc2c(c1)CCc1ccccc1C2CN,CHEMBL83028,6.2
+COc1ccc2c(c1)Cc1ccccc1C2CN,CHEMBL83081,8.12
+CCCCCCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL268890,8.6
+COc1ccc(OC)c(CC(C)N)c1,CHEMBL8642,5.297000000000001
+COc1ccc2c(c1)cc1n2CCNC1,CHEMBL269073,5.0
+NCCc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL101189,7.47
+CC(N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL99846,5.7
+NCCc1c2c(cc3c1OCC3)OCC2,CHEMBL100626,5.64
+COc1cc(CCCc2ccccc2)cc(OC)c1CC(C)N,CHEMBL108173,8.52
+COc1cc(CCCc2ccccc2)c(OC)cc1CCN,CHEMBL102274,6.82
+CC(N)Cc1ccc(CCCc2ccccc2)cc1,CHEMBL101367,7.11
+COc1cc(CCc2ccccc2)c(OC)cc1CCN,CHEMBL103028,7.43
+COc1cc(CCCCc2ccccc2)c(OC)cc1CCN,CHEMBL439960,6.94
+COc1ccc(CCCc2cc(OC)c(CC(C)N)cc2OC)cc1,CHEMBL104102,7.55
+COc1cc(CC(C)N)ccc1CCCc1ccccc1,CHEMBL105152,7.77
+NCCc1ccc(CCCc2ccccc2)cc1,CHEMBL104088,7.22
+COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1,CHEMBL418994,8.1
+COc1cccc(CC(C)N)c1OC,CHEMBL280855,5.37
+COc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1,CHEMBL102268,8.4
+COc1c(CCCc2ccccc2)ccc(CC(C)N)c1OC,CHEMBL105292,8.4
+COc1cc(CC(C)N)c(OC)cc1CCc1ccccc1,CHEMBL104715,7.02
+COc1cc(CC(C)N)c(OC)cc1CCCc1ccc(Cl)cc1,CHEMBL105580,7.92
+COc1cc(CC(C)N)cc(OC)c1Br,CHEMBL104362,6.68
+COc1ccc2[nH]c3c(c2c1)CCN=C3C,CHEMBL338115,5.25
+CC1=NCCc2c1[nH]c1ccccc21,CHEMBL295234,5.94
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.11
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,7.68
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,8.08
+CC(C)Oc1cccc2[nH]c3c(c12)CCN=C3,CHEMBL342388,5.85
+Brc1cccc2c3c([nH]c12)C=NCC3,CHEMBL6746,6.95
+COc1cccc2[nH]c3c(c12)CCN=C3,CHEMBL6591,6.315
+Brc1cccc2[nH]c3c(c12)CCNC3,CHEMBL6426,6.92
+COc1cccc2c3c([nH]c12)C=NCC3,CHEMBL269367,5.54
+COc1cccc2c3c([nH]c12)CNCC3,CHEMBL269571,6.295
+COc1cccc2[nH]c3c(c12)CCNC3,CHEMBL6586,7.005
+Brc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL441891,6.62
+CC1=NCCc2c1[nH]c1cccc(OC(C)C)c21,CHEMBL343079,6.33
+C1=NCCc2c1[nH]c1cccc(OCc3ccccc3)c21,CHEMBL344051,6.91
+Brc1ccc2[nH]c3c(c2c1)CCNC3,CHEMBL6427,6.3
+Brc1ccc2[nH]c3c(c2c1)CCN=C3,CHEMBL6626,5.76
+COc1ccc2[nH]c3c(c2c1)CCN=C3,CHEMBL6717,5.63
+Brc1ccc2c3c([nH]c2c1)C=NCC3,CHEMBL428999,5.88
+C1=NCCc2c1[nH]c1ccccc21,CHEMBL266221,5.63
+COc1ccc2c(c1)c1c(n2C)CCN(CCCOc2ccc(F)cc2)C1,CHEMBL128185,7.42
+Cn1c2c(c3cccc(Cl)c31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL126737,6.68
+Cn1c2c(c3ccccc31)CCN(CCCOc1ccccc1)C2,CHEMBL126823,6.82
+COc1ccc(CCCCN2CCc3c(c4ccccc4n3C)C2)cc1,CHEMBL128945,6.38
+O=C(CCCN1CCc2c([nH]c3ccccc23)C1)c1ccccc1,CHEMBL129163,7.8
+c1ccc(OCCCN2CCc3c([nH]c4ccccc34)C2)cc1,CHEMBL424258,7.3
+Cn1c2c(c3ccccc31)CN(CCCC(=O)c1ccccc1)CC2,CHEMBL129476,7.66
+CCn1c2c(c3ccccc31)CN(CCCOc1ccccc1)CC2,CHEMBL128099,7.3
+COc1ccc(OCCCN2CCc3c(c4ccccc4n3C)C2)cc1,CHEMBL340646,7.0
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc3ccccc3c1)CC2,CHEMBL340511,6.32
+Cn1c2c(c3cc(Cl)ccc31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL338095,6.89
+Cn1c2c(c3ccccc31)CN(CCCCc1ccc(F)cc1)CC2,CHEMBL341506,7.19
+Cn1c2c(c3ccccc31)CN(CCOc1ccc(F)cc1)CC2,CHEMBL126994,6.76
+COc1cccc2c3c(n(C)c12)CCN(CCCOc1ccc(F)cc1)C3,CHEMBL128184,6.92
+Cn1c2c(c3ccccc31)CN(C/C=C\CCc1ccccc1)CC2,CHEMBL2111848,6.92
+Cn1c2c(c3ccccc31)CN(CCC/C(=N/O)c1ccc(F)cc1)CC2,CHEMBL126138,7.42
+Cn1c2c(c3ccccc31)CN(CCCOc1ccccc1)CC2,CHEMBL128848,7.15
+Cn1c2c(c3ccccc31)CN(CCCCCCc1ccccc1)CC2,CHEMBL125361,6.73
+c1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1,CHEMBL126438,7.7
+Cn1c2c(c3ccccc31)CN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL129230,8.22
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(Cl)cc1)CC2,CHEMBL126898,6.94
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(N)cc1)CC2,CHEMBL435814,6.55
+Cn1c2c(c3ccccc31)CN(CCCOCc1ccccc1)CC2,CHEMBL338081,6.65
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(Cl)c(Cl)c1)CC2,CHEMBL126897,6.71
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2,CHEMBL130585,6.55
+Cn1c2c(c3ccccc31)CN(CCCCCc1ccccc1)CC2,CHEMBL125417,6.89
+Cn1c2c(c3ccccc31)CN(C/C=C/CCc1ccccc1)CC2,CHEMBL446356,7.22
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL96504,7.52
+Cn1c2c(c3ccccc31)CN(CCCOc1cccc3ccccc13)CC2,CHEMBL126188,6.2
+Cn1c2c(c3ccccc31)CNCC2,CHEMBL92879,5.51
+Cn1c2c(c3ccccc31)CN(CCCC(O)c1ccc(F)cc1)CC2,CHEMBL338696,6.8
+c1ccc(Cn2c3c(c4ccccc42)CN(CCCOc2ccccc2)CC3)cc1,CHEMBL130586,7.19
+CCCCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL172947,6.45
+CCCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL176343,7.1
+CCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL422732,7.8
+CC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL66335,8.06
+CCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL369829,8.35
+CCC(CC)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL424777,8.1
+CCCCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL172369,7.26
+CCC(C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL177034,7.47
+CN1CCc2cc(Cl)c(O)cc2C(c2cccc(Br)c2)C1,CHEMBL13632,8.07
+CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2Br)C1,CHEMBL13325,7.66
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL62,7.97
+Cc1c2c(c(CC(C)N)c3c1CCO3)OCC2,CHEMBL291585,8.2
+Cc1c2ccoc2c(CC(C)N)c2occc12,CHEMBL304636,8.74
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL280063,6.0
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,5.3
+Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL16123,6.15
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15456,5.0
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15941,6.05
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL15637,6.05
+Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL415985,7.0
+Cn1c(=O)sc2cc(CCCCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL15986,6.4
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15955,5.52
+Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL15809,6.4
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,6.33
+NC(=O)C1(NC2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL356075,8.22
+O=C(CCCN1CCC2(CC1)NCNC2=O)c1ccc(F)cc1,CHEMBL145883,5.25
+CN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL146225,7.35
+NC(=O)C1(N)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL422498,6.38
+O=C(CCCN1CCC2(CC1)C(=O)NCN2C1CCCCC1)c1ccc(F)cc1,CHEMBL147449,9.15
+CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O,CHEMBL148749,7.72
+CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL148358,7.72
+CC(C)N1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL357924,7.42
+CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL146591,8.15
+CC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL147418,7.85
+CN1CNC(=O)C12CCN(CCCOc1ccc(F)cc1)CC2,CHEMBL267204,7.46
+CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL343401,7.68
+CNC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL147363,6.89
+CN1CN(Cc2ccccc2)C(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL146569,7.66
+CN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL148413,7.64
+CCN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL342963,6.77
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,8.87
+CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL150162,7.7
+Cc1ccc2c(c1)C(NCCN(C)C)=Nc1cccnc1N2,CHEMBL149493,6.82
+Cc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148694,7.47
+Cc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL358657,7.32
+Cc1ccc2c(c1)C(N1CCCN(C)CC1)=Nc1cccnc1N2,CHEMBL356171,6.52
+Cc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL422310,7.44
+Clc1ccc2c(c1)C(NCCN1CCCC1)=Nc1cccnc1N2,CHEMBL146410,6.6
+Cc1ccc2c(c1)C(NC1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL347959,6.88
+Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL436274,6.99
+Clc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,CHEMBL148559,7.47
+CN1CCC(NC2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL356149,6.91
+Clc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,CHEMBL148353,7.44
+Clc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,CHEMBL342536,7.09
+Cc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,CHEMBL148752,7.48
+Clc1ccc2c(c1)C(NCCN1CCCCC1)=Nc1cccnc1N2,CHEMBL357391,6.45
+CN1CCCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL148042,6.79
+Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL63329,7.43
+CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL63576,7.46
+O=C1/C(=C/c2cccs2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL21150,7.19
+O=C1/C(=C\c2ccccc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20617,7.25
+O=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL279282,6.44
+COc1ccc(/C=C2/C(=O)N(CCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1,CHEMBL278633,7.7
+O=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20597,7.6
+O=C1/C(=C/c2ccccc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL22162,7.42
+O=C1/C(=C\c2cccnc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL282264,7.7
+O=C1/C(=C/c2cccnc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20674,8.15
+COc1ccc(/C=C2\C(=O)N(CCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1,CHEMBL282032,7.44
+O=C1/C(=C\c2cccs2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL282255,6.86
+O=C1/C(=C/c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL20482,7.49
+Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL176169,8.96
+CN1CCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL426763,9.47
+O=C1NCCN1CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL367087,7.13
+CN1CCN(C2=Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL366679,9.46
+CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL367875,6.66
+CN1CCN(C2=Cn3c(/C=N/O)ccc3Sc3ccccc32)CC1,CHEMBL177328,5.7
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,9.19
+CN1CCN(C2=Cn3c(C=O)ccc3Sc3ccccc32)CC1,CHEMBL362060,7.7
+COCc1ccc2n1CC(N1CCN(C)CC1)c1cc(Cl)ccc1S2,CHEMBL175226,6.39
+CN1CCN(C2=Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL369367,9.08
+CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1,CHEMBL367180,7.72
+CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL177455,8.37
+CN1CCN(C2=C(C=O)n3c(C=O)ccc3Sc3ccccc32)CC1,CHEMBL262794,5.64
+COc1ccc2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL116209,6.15
+COc1ccc2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL117689,6.51
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,9.15
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,9.26
+CN1CCN2c3c(cccc3OS(=O)(=O)C(F)(F)F)Cc3ccccc3C2C1,CHEMBL109877,6.56
+CN1CCN2c3c(O)cccc3Cc3ccccc3C2C1,CHEMBL334270,7.92
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,9.12
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL313744,6.92
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL85580,7.85
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314372,7.8
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL262167,6.47
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314813,8.7
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1,CHEMBL87745,7.3
+O=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL312982,8.22
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL433345,9.22
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL314371,8.15
+COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314814,7.7
+COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL87469,8.7
+CN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1,CHEMBL304193,5.85
+CN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1,CHEMBL62589,5.62
+CN(C)CCSc1nc2ccccc2c2c1ccc1ccccc12,CHEMBL62890,5.62
+CN(C)CCSc1nc2ccccc2c2c1COc1ccccc1-2,CHEMBL63024,5.74
+CCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1,CHEMBL64146,6.28
+c1ccc2c(c1)OCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL64879,5.55
+CCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1,CHEMBL62449,5.96
+CN(C)CCSc1nc2ccccc2c2c1CCOc1ccccc1-2,CHEMBL304016,5.55
+COc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12,CHEMBL291771,6.62
+c1ccc2c(c1)ccc1c(N3CCNCC3)nc3ccccc3c12,CHEMBL61007,5.96
+CN(C)CCSc1nc2ccccc2c2c1CCc1ccccc1-2,CHEMBL64079,6.03
+CN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1,CHEMBL417706,6.4
+CCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1,CHEMBL64416,6.22
+c1ccc2c(c1)OCCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL59871,5.49
+c1ccc2c(c1)CCc1c(N3CCNCC3)nc3ccccc3c1-2,CHEMBL62636,6.19
+COc1cc2c(N3CCNCC3)nc3ccccc3c2c2ccccc12,CHEMBL303999,5.96
+CCN1CCN(c2nc3ccccc3c3c2cc(OC)c2ccccc23)CC1,CHEMBL293218,6.16
+c1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12,CHEMBL430566,5.92
+CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1,CHEMBL41462,6.04
+CN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1,CHEMBL293866,6.35
+CCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1,CHEMBL292260,6.19
+N=C(NCCc1ccc(Cl)c(Cl)c1)N/N=C/c1c[nH]c2ccc(O)cc12,CHEMBL545461,6.72
+CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC(C)C)cc12,CHEMBL75420,5.6
+O=C(c1cccc(CN2CCC(c3ccccc3)C2)c1)N1CCCCC1,CHEMBL281214,6.49
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccccc2)C1,CHEMBL28831,7.47
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccccc2)C1,CHEMBL282822,7.34
+O=C(c1cccc(CN2CCC(c3ccc(Cl)cc3)C2)c1)N1CCCCC1,CHEMBL280534,7.34
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28884,6.74
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28946,6.63
+O=C(c1ccc(F)cc1)C1CCNCC1,CHEMBL148189,6.4
+O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL175832,9.2
+N#Cc1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3F)CC2)cc1,CHEMBL368816,8.88
+O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1F,CHEMBL177807,9.29
+O=S(=O)(c1ccc(-n2cccn2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL178055,8.8
+O=S(=O)(c1ccc(N2CCC2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1,CHEMBL176109,9.52
+COc1cc(C2CNCCO2)c(OC)cc1Br,CHEMBL191154,7.69
+COc1cc(C(O)CN)c(OC)cc1Br,CHEMBL191050,8.68
+COc1cc(C(CN)OC)c(OC)cc1Br,CHEMBL191051,8.7
+CCC(N)Cc1cc(OC)c(Br)cc1OC,CHEMBL365711,8.12
+CC[C@H](N)[C@H](O)c1cc(OC)c(Br)cc1OC,CHEMBL187715,7.69
+COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br,CHEMBL364723,8.04
+COc1cc([C@@H](O)[C@H](C)N)c(OC)cc1Br,CHEMBL191286,8.96
+COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br,CHEMBL435297,8.0
+COc1cc([C@@H](O)[C@@H](C)N)c(OC)cc1Br,CHEMBL188709,9.3
+COc1cc([C@@H](OC)[C@H](C)N)c(OC)cc1Br,CHEMBL363772,7.76
+COc1cc([C@H](OC)[C@@H](C)N)c(OC)cc1Br,CHEMBL364718,9.1
+COc1cc([C@H](OC)[C@H](C)N)c(OC)cc1Br,CHEMBL191420,8.22
+COc1cc([C@@H](OC)[C@@H](C)N)c(OC)cc1Br,CHEMBL365958,9.52
+CN1CCN(C2=Cn3cccc3Sc3sccc32)CC1,CHEMBL180319,8.67
+CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1,CHEMBL179775,8.14
+CN1CCN(C2=Cc3cc(Cl)ccc3Cn3cccc32)CC1,CHEMBL179557,8.87
+Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1,CHEMBL178564,8.3
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,5.84
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,5.87
+CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL611207,7.49
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL370758,7.87
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL191226,5.59
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ncccn2)CC1,CHEMBL192828,6.93
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL362999,5.57
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL364530,5.4
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2ccccn2)CC1,CHEMBL365309,5.45
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL193182,5.41
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL189890,6.26
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,6.84
+CN(C)CCc1cn(C)c2cccc(O)c12,CHEMBL197664,6.23
+CCCCn1cc(CCN(C)C)c2c(O)cccc21,CHEMBL198124,6.7
+Cc1[nH]c2cccc(O)c2c1CCN(C)C,CHEMBL370859,5.77
+CN(C)CCc1c[nH]c2cccc(F)c12,CHEMBL197646,6.0
+CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1,CHEMBL371899,5.16
+Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12,CHEMBL445331,5.08
+CN(C)Cc1c[nH]c2cccc(O)c12,CHEMBL194588,6.08
+COc1cc2c(c(OC)c1OC)CC[C@@H]2CN,CHEMBL211301,5.95
+COc1cc2c(c(OC)c1OC)CC[C@H]2CN,CHEMBL379780,7.16
+COc1cc2c(c(OC)c1OC)CCC2CN,CHEMBL211309,6.89
+COc1cc(Br)c(OC)c2c1C(CN)C2,CHEMBL212197,9.12
+COc1cc(Br)c2c3c1[C@H](CN)CCC[C@@H]3CO2,CHEMBL214379,6.77
+COc1cc(Br)c2c3c1[C@@H](CN)CCC[C@@H]3CO2,CHEMBL213612,7.13
+COc1cc(Br)c(OC)c2c1C(CN)CC2,CHEMBL424890,7.33
+COc1cc(Br)c(OC)c2c1[C@@H](CN)C2,CHEMBL215781,7.38
+COc1cc(Br)c(OC)c2c1[C@H](CN)C2,CHEMBL379637,9.59
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,6.14
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CC2)c1,CHEMBL219111,6.96
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CCCC2)c1,CHEMBL413777,6.52
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCC2)c1,CHEMBL220809,6.19
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCC2)c1,CHEMBL221743,6.72
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCCC2)c1,CHEMBL221957,5.98
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccco2)c1,CHEMBL376634,6.43
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccsc2)c1,CHEMBL386988,6.46
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2cccs2)c1,CHEMBL425810,6.25
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccccc2)c1,CHEMBL218217,6.14
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,CHEMBL218166,5.48
+Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,CHEMBL220808,5.67
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222301,5.5
+N#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL221513,6.15
+CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389718,4.91
+COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL374261,5.14
+COc1ccc(OC)c(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374297,6.59
+COc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224883,6.85
+N#Cc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224935,6.04
+CC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374298,5.95
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,6.49
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21,CHEMBL225512,5.47
+O=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL222188,7.11
+Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222755,6.58
+O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21,CHEMBL225571,6.55
+O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21,CHEMBL222477,6.52
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL229940,6.75
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL389842,5.1
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL228940,7.22
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228939,6.25
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL390581,7.24
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228938,6.64
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL390580,6.04
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL228882,5.71
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL228881,5.58
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL376773,6.23
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229366,7.55
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL390734,6.82
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229311,7.24
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL2448068,7.82
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL1203946,6.6
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229180,6.88
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229179,7.6
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL229124,6.27
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL389700,7.29
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229123,7.64
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL388133,6.01
+O=C(c1cccc2ccccc12)N1CCC(NCCc2ccccc2)CC1,CHEMBL388396,6.68
+O=C(NC1CCN(CCCCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL387952,6.31
+CC[C@](O)(c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1,CHEMBL228866,6.41
+O=C(NC1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL387951,6.64
+CC(c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1,CHEMBL228865,6.61
+O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2ccccc12,CHEMBL229021,6.27
+O=C(NC1CCN(CCCCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL229025,6.67
+O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL229024,7.3
+CC(c1ccccc1)N1CCC(NC(=O)c2ccc3ccccc3c2)CC1,CHEMBL229023,6.96
+O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL388620,7.38
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL228972,7.36
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)C(c2ccccc2)=NN1,CHEMBL375683,7.24
+CCCCCc1cc2c(s1)CC(CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,CHEMBL2113277,7.68
+O=C1c2ccoc2CCC1CCN1CCN(C(=O)c2ccc(F)cc2)CC1,CHEMBL226759,5.7
+O=C1CC(CN2CCN(CCCCC(=O)c3ccc(F)cc3)CC2)C(c2ccccc2)=NN1,CHEMBL226707,6.0
+O=C1CC(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C(c2ccccc2)=NN1,CHEMBL226858,6.56
+O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2c1,CHEMBL234001,6.16
+O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1,CHEMBL394042,6.28
+O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1,CHEMBL234827,6.26
+Cc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL234826,6.65
+Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL234825,7.06
+Cc1ccccc1CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1,CHEMBL234647,6.76
+COc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL234646,6.82
+COc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL234645,6.8
+O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1,CHEMBL234644,6.56
+O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2ccccc2c1,CHEMBL234472,6.65
+O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1,CHEMBL395867,7.28
+O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,CHEMBL233581,6.62
+O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL233580,6.88
+O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1,CHEMBL233579,6.88
+O=C(NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1)c1cccc2ccccc12,CHEMBL232197,6.64
+O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cccc2ccccc12,CHEMBL395631,6.34
+COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1,CHEMBL279841,5.82
+O=C(N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL232449,6.85
+O=C(CC1CC2CCC1C2)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL232247,7.46
+O=C(C1CCCCC1)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL390659,7.16
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL232246,6.3
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1,CHEMBL232036,6.26
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL232035,6.0
+O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL231825,7.6
+O=C(CC1CC2CCC1C2)N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL390037,8.38
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL408589,8.19
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1,CHEMBL398209,7.33
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL208905,6.76
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209007,7.33
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL378298,6.74
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1,CHEMBL207493,5.82
+O=C1CCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL398181,6.92
+O=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21,CHEMBL390213,6.27
+O=C(CCCCCN1CCN(c2ccccc2F)CC1)NC1CCCc2ccccc21,CHEMBL244577,6.71
+CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389110,5.45
+CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244161,5.8
+CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243955,6.25
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL243954,5.83
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243744,5.32
+CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243742,5.5
+CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243523,5.47
+COc1cc2c3c(c1)-c1c(ccc(C)c1O)C[C@H]3N(C)CC2,CHEMBL392447,6.57
+CN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL444368,6.86
+O=C(CCCN1CCN2CC3C(CC2C1)c1ccccc1N3CCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL393466,8.03
+O=C(CCCN1CCN2CC3Nc4ccccc4C3CC2C1)c1ccc(F)cc1,CHEMBL393622,7.03
+O=C(CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccc(F)cc1,CHEMBL136711,7.62
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1,CHEMBL237135,6.99
+COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1,CHEMBL237134,7.1
+c1ccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)cc1,CHEMBL396882,7.86
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL237133,6.5
+COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1,CHEMBL396881,7.72
+S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL236929,8.69
+Cc1cccc(N2CCN(CCCSc3ccc([N+](=O)[O-])cc3)CC2)c1,CHEMBL393454,7.68
+CC(=O)Nc1ccc(SCCCN2CCN(c3ccccc3C)CC2)cc1,CHEMBL239371,7.68
+Cc1cccc(N2CCN(CCCSc3ccccc3)CC2)c1,CHEMBL239159,7.87
+CC(=O)Nc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1,CHEMBL238952,8.22
+CCCN1CCO[C@H](c2cccc(O)c2)C1,CHEMBL250403,6.01
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,8.045
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1,CHEMBL477200,7.02
+COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1,CHEMBL476722,6.68
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1,CHEMBL514074,6.53
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1,CHEMBL477765,6.97
+c1cnc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL479026,6.74
+c1ccc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1,CHEMBL517962,6.76
+c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL478413,7.1
+N[C@@H](CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)C(=O)O,CHEMBL511555,5.24
+CSc1cc(CC(C)N)c(SC)cc1C,CHEMBL464850,6.75
+COc1cc(CCN)cc(OC)c1OCCc1ccccc1,CHEMBL465866,7.23
+COc1cc2c(cc1Br)OCCC(N)C2,CHEMBL451156,6.37
+CCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL8224,7.0
+COc1cc(CC(C)N)c(OC)cc1I,CHEMBL6616,7.72
+CN(C)CCc1c[nH]c2ccsc12,CHEMBL13147,5.34
+CN(C)CCc1c[nH]c2sccc12,CHEMBL13086,5.43
+CC(N)Cc1cc(F)c(Br)cc1F,CHEMBL509461,5.6
+CC(N)Cc1c2ccccc2c(Br)c2ccccc12,CHEMBL465525,6.5
+CSc1c2c(c(CC(C)N)c3c1OCC3)CCO2,CHEMBL445687,6.32
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,5.79
+C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21,CHEMBL540445,4.0
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,5.09
+CC(N)Cc1c2c(c(Br)c3ccoc13)OCCC2,CHEMBL520449,9.0
+CC(N)Cc1c2c(c(Br)c3c1OCCC3)OCC2,CHEMBL520133,8.28
+NCCc1c2c(c(Br)c3c1OCCC3)OCC2,CHEMBL482704,8.08
+CC(N)Cc1c2c(c(Br)c3c1OCC3)OCCC2,CHEMBL519145,8.44
+NCCc1c2c(c(Br)c3c1OCC3)OCCC2,CHEMBL482703,7.96
+CC(N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2,CHEMBL482702,8.51
+NCCc1c2c(c(Br)c3c1OCCC3)OCCC2,CHEMBL482675,8.35
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,8.09
+COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3,CHEMBL495573,6.7
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,7.24
+Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl,CHEMBL497988,6.9
+Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL496739,7.82
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,7.08
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1,CHEMBL497574,6.52
+N#Cc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc54)C3=O)CC2)c1,CHEMBL497573,6.41
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL462508,7.39
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,7.63
+COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3,CHEMBL461023,6.79
+COc1cccc2c1C1CCN(CCCCNC(=O)C3=Cc4ccccc4CN3)CC1=N2,CHEMBL517730,6.83
+Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL522044,6.91
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,9.14
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL516088,8.49
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL476838,7.59
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL476839,8.74
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,CHEMBL490632,8.34
+COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL490633,7.23
+COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1,CHEMBL490634,6.93
+COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1,CHEMBL489408,6.82
+COc1c(OCCF)cccc1C(O)C1CCN(C(=O)Cc2ccccc2)CC1,CHEMBL490845,5.7
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccccc2)CC1,CHEMBL490846,8.79
+COc1c(O)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL490847,8.91
+COc1cccc(C(O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1OC,CHEMBL522982,7.05
+COc1ccc(CCN2CCC(C(O)c3cccc(OC)c3OC)CC2)cc1,CHEMBL492068,7.26
+COc1cccc(C(O)C2CCN(CCc3ccc(C)cc3)CC2)c1OC,CHEMBL492069,9.51
+COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL489624,8.87
+COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL489621,9.6
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(N)cc2)CC1,CHEMBL489634,8.69
+O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL477266,5.85
+O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)c1ccccc1,CHEMBL476260,5.76
+COc1ccccc1N1CCN(CCN2C(=O)CC(NC(C)=O)C2=O)CC1,CHEMBL476261,5.25
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL476062,5.13
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL478269,4.91
+COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL476010,5.32
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL515930,5.49
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)c2ccccc2)CC1,CHEMBL477414,5.06
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1,CHEMBL477427,5.89
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(C)=O)CC1,CHEMBL477428,5.07
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL514070,5.63
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL477027,5.72
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)C1CCCC1,CHEMBL478265,6.45
+O=C(N[C@H]1CC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL477034,7.04
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL476221,6.1
+COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCN2C(C)=O)CC1,CHEMBL476169,5.5
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)c1ccccc1,CHEMBL515933,7.12
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC(=O)N1C(=O)C1CCCCC1,CHEMBL478068,6.79
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1,CHEMBL477871,6.89
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL208735,6.0
+COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL377153,6.3
+COc1ccccc1N1CCN(CCN2C(=O)CCC2=O)CC1,CHEMBL476053,4.76
+O=C1CCC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL476054,5.67
+COc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1,CHEMBL514202,6.06
+O=C1CC(C2CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL477945,6.86
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1,CHEMBL60322,6.6
+O=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL514077,7.82
+COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1,CHEMBL476217,4.83
+O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1,CHEMBL204171,7.19
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL497749,7.07
+COc1ccccc1N1CCN(C(=O)NC(=N)NCc2cccc3ccccc23)CC1,CHEMBL557330,6.82
+CCOc1ccccc1CNC(=N)NC(=O)NC,CHEMBL561346,6.4
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(C)CC2)c1,CHEMBL563760,6.83
+Cc1cccc(S(=O)(=O)NCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL558025,6.8
+COc1ccccc1N1CCN(C(=N)NCCNS(=O)(=O)c2cccc(C)c2)CC1,CHEMBL550740,5.94
+Cc1cccc(S(=O)(=O)NCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL561750,5.9
+COc1ccccc1N1CCN(C(=N)NCCCNS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL550881,6.03
+Cc1cccc(S(=O)(=O)NCCCCNC(=N)N2CCC(c3ccccc3)CC2)c1,CHEMBL557740,6.11
+COc1ccccc1N1CCN(C(=N)NCCCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL559260,6.47
+N=C(NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1,CHEMBL564509,6.71
+O=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL576586,7.8
+O=c1ccc(=O)n(-c2ccccc2)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL573256,5.74
+COc1ccccc1N1CCN(CCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1,CHEMBL574822,5.67
+COc1ccccc1N1CCN(CCCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1,CHEMBL574604,5.84
+O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL574827,7.17
+COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1,CHEMBL583583,6.34
+COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1,CHEMBL239700,6.25
+O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL573237,6.18
+O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL574828,6.24
+COc1ccccc1N1CCN(CCCn2c(=O)c3ccccc3c(=O)n2-c2ccccc2)CC1,CHEMBL573482,6.52
+COc1ccccc1N1CCN(CCCCn2c(=O)c3ccccc3c(=O)n2-c2ccccc2)CC1,CHEMBL573264,6.43
+O=c1ccc(=O)n(-c2ccccc2)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL575032,6.57
+Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12,CHEMBL582992,5.01
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]1,CHEMBL566331,5.44
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2[nH]1,CHEMBL567649,6.46
+CCOC(=O)c1cc2cc(OCCCN3CCN(C(=O)c4ccco4)CC3)ccc2[nH]1,CHEMBL584919,6.34
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4Cl)CC3)ccc2[nH]1,CHEMBL586050,6.27
+CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2[nH]1,CHEMBL583422,7.58
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2[nH]1,CHEMBL566533,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)ccc2[nH]1,CHEMBL568284,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2[nH]1,CHEMBL565484,5.0
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2[nH]1,CHEMBL565707,5.0
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)ccn23)n(C)c1=O,CHEMBL566890,7.04
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL567496,6.39
+Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL566235,6.09
+Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21,CHEMBL594717,8.36
+c1cc2c(nc1N1CCNCC1)CCCC2,CHEMBL593547,7.68
+Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21,CHEMBL595194,9.15
+Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21,CHEMBL593545,8.7
+Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21,CHEMBL595195,8.42
+Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21,CHEMBL609306,9.0
+Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21,CHEMBL595553,7.39
+Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1,CHEMBL594469,7.82
+C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2,CHEMBL595645,7.8
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL597601,5.32
+c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL211026,5.25
+c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210405,5.76
+Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL437490,5.98
+Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,CHEMBL210955,6.04
+Fc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL599658,6.04
+Fc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1,CHEMBL598845,6.28
+Fc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL599046,5.48
+Clc1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,CHEMBL598222,5.69
+Fc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1,CHEMBL598437,5.25
+Fc1ccc(N2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)cc1,CHEMBL604916,5.33
+Clc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1,CHEMBL597411,5.49
+Cc1nc2ccccn2c1CN1CCN(c2ccccc2)CC1,CHEMBL597006,4.94
+Cc1nc2ccccn2c1CN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL597007,5.31
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C,CHEMBL591223,8.4
+COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,CHEMBL598172,8.3
+COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C,CHEMBL610208,8.7
+COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C,CHEMBL603078,8.4
+CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O,CHEMBL1097970,7.16
+COc1ccccc1N1CCN(CCCN2C(=O)NC(C)(c3ccccc3)C2=O)CC1,CHEMBL1098307,6.14
+CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL1098614,6.51
+O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098615,7.0
+COc1ccccc1N1CCN(CCCN2C(=O)NC(c3ccccc3)(C3CC3)C2=O)CC1,CHEMBL1098616,6.15
+O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1095934,7.11
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1096275,7.52
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL1096276,6.19
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1098609,7.28
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098286,7.6
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL1098287,6.55
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1096620,7.46
+N#C/N=C(\NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1,CHEMBL1086959,7.49
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccncc2)CC1,CHEMBL1087182,5.72
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1,CHEMBL1172205,7.51
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1,CHEMBL1172204,7.7
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1,CHEMBL1172206,7.55
+Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1171823,7.01
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1,CHEMBL1171644,7.35
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL1171646,7.41
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)n1,CHEMBL1171824,7.6
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL1172734,8.0
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL1173017,7.47
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL1173018,8.0
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1,CHEMBL1173077,8.22
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1173143,8.15
+Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1,CHEMBL1214946,8.62
+O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,CHEMBL1277312,7.47
+O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,CHEMBL1277126,6.98
+O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1276948,7.48
+O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,CHEMBL1276947,7.16
+O=C(O)C1(F)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277678,6.45
+O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,CHEMBL1277770,7.47
+O=C(O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,CHEMBL1277935,6.93
+O=c1c2ccccc2nnn1CCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783346,8.28
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783351,7.04
+N#C/N=C(\NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1,CHEMBL1783352,6.76
+N#C/N=C(\NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1,CHEMBL1783353,6.65
+O=c1c2ccccc2nnn1CCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783347,6.9
+O=c1c2ccccc2nnn1OCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783349,6.14
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783350,6.95
+O=c1c2ccccc2nnn1OCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783348,5.88
+COc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084420,5.22
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c(OC)c1,CHEMBL3084422,5.89
+COc1ccc(OC)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084423,5.96
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1OC,CHEMBL3084424,5.1
+COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084425,6.03
+COc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc(OC)c1OC,CHEMBL3084426,5.96
+COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084428,5.85
+COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349052,6.17
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-],CHEMBL3349053,4.49
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349054,7.78
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12,CHEMBL3349055,5.64
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1,CHEMBL3349056,7.62
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1ccccc1,CHEMBL3349057,5.51
+COc1cccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCO2)c1,CHEMBL3349058,5.96
+COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349059,6.92
+COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349060,5.96
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349061,8.21
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1cccc2ccccc12,CHEMBL3349062,6.4
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1ccc2ccccc2c1,CHEMBL3349063,7.91
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12,CHEMBL3349064,6.4
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1,CHEMBL3349065,8.6
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC,CHEMBL3349066,6.0
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1OC,CHEMBL3349067,6.02
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC,CHEMBL3349068,6.15
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,6.66
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917342,5.55
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917344,5.79
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1,CHEMBL1917346,5.06
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1,CHEMBL1917347,5.08
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12,CHEMBL1917348,5.84
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1,CHEMBL1917349,4.76
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1,CHEMBL1917350,4.76
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917355,5.88
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917358,5.29
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917359,5.2
+CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917360,5.75
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927090,5.56
+N#C/N=C(\NCCCN1CCN(c2ccccc2C#N)CC1)c1ccccn1,CHEMBL1927091,6.04
+Cc1cccc(N2CCN(CCCN/C(=N\C#N)c3ccccn3)CC2)c1C,CHEMBL1927092,9.06
+N#C/N=C(\NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccn1,CHEMBL1927093,7.57
+N#C/N=C(\NCCCN1CCN(c2ncccn2)CC1)c1ccccn1,CHEMBL1927096,10.79
+N#C/N=C(\NCCCN1CCN(c2ccccn2)CC1)c1ccccn1,CHEMBL1927097,8.95
+N#C/N=C(\NCCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccn1,CHEMBL1927098,7.29
+N#C/N=C(\NCCCN1CCN(C(=O)c2ccco2)CC1)c1ccccn1,CHEMBL1927099,7.67
+O=C1C2CCCN2C(=O)N1CCCCNCCc1ccc2ccccc2c1,CHEMBL1926731,6.8
+O=S(=O)(c1cncc2ccccc12)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949977,7.23
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949976,7.51
+O=S(=O)(c1ccc2cccnc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949975,6.12
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949974,5.22
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL1949973,7.66
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12,CHEMBL1949972,6.57
+O=S(=O)(NCCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949971,6.94
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949970,6.68
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cccnc2c1,CHEMBL1949969,7.2
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ncccc2c1,CHEMBL1949968,7.36
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949967,7.25
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2cccnc12,CHEMBL1949966,6.82
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ncccc2c1,CHEMBL1949965,7.38
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL1949964,7.25
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949963,7.66
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949978,6.69
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5cccc(Cl)c5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237150,6.81
+COc1ccccc1N1CCN(CCCCn2c(=O)ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL2237149,5.97
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL2237148,5.7
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4cccc(Cl)c4)CC3)n2CCCc2ccccc2)n(C)c1=O,CHEMBL2237147,6.46
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4cccc(Cl)c4)CC3)n2CCc2ccccc2)n(C)c1=O,CHEMBL2237146,6.92
+COc1ccccc1N1CCN(CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CHEMBL2237145,6.52
+COc1ccccc1N1CCN(CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,CHEMBL2237144,6.26
+Cn1c(=O)c2c(nc(NCCCN3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,CHEMBL2237143,6.35
+CC(c1ccccc1)n1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237142,6.94
+CCOC(=O)Cn1c(NCCCN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CHEMBL2237141,6.35
+O=C1C2C3C=CC(C3)C2C(=O)N1OCC(O)CN1CCN(c2ccccc2)CC1,CHEMBL2261429,6.47
+Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL2333732,5.09
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,6.42
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,4.93
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,6.3
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,7.15
+O=C1CC(c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2O1,CHEMBL2387242,6.25
+O=c1cc(-c2ccccc2)c2ccc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387241,5.8
+Cc1cc(=O)oc2cc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387240,6.34
+Cc1cc(=O)oc2cc(OC/C=C/CN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387239,9.3
+Cc1cc(=O)oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387238,6.51
+Cc1cc(=O)oc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387237,6.85
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)c2oc1=O,CHEMBL2387233,6.22
+Cc1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc2oc(=O)cc(C)c12,CHEMBL2387232,6.26
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(Cl)cc12,CHEMBL2387231,7.97
+Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387230,9.05
+Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387229,9.52
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C)CC1,CHEMBL2387228,6.03
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1,CHEMBL2387227,6.23
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)c(C)c(=O)oc3c2)CC1,CHEMBL2387226,7.23
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O,CHEMBL2385102,9.52
+CCCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387245,7.51
+CCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387244,7.29
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2)CC1,CHEMBL2387243,6.09
+O=c1cc(C(F)(F)F)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387267,6.64
+O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387265,8.04
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1,CHEMBL2387250,5.77
+O=c1ccc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387249,5.84
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL2387248,6.05
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,CHEMBL2387258,7.0
+Cc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1C,CHEMBL2387257,6.59
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc12,CHEMBL2387256,6.8
+COc1ccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CHEMBL2387255,5.99
+COc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1,CHEMBL2387254,6.33
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL2387253,8.1
+Cc1cc(=O)oc2cc(OCCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)ccc12,CHEMBL2387251,6.59
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4nc5ccccc5s4)CC3)ccc12,CHEMBL2387262,6.67
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4nc5ccccc5o4)CC3)ccc12,CHEMBL2387261,5.81
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387260,8.08
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc12,CHEMBL2387259,6.98
+Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414358,6.02
+Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414357,6.19
+Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414356,6.22
+Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414355,6.19
+Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414354,5.6
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1,CHEMBL2431039,6.37
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2ccccc12,CHEMBL2431038,7.39
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2c1CCCC2,CHEMBL2431037,7.31
+Cc1cccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c1C,CHEMBL2431036,6.51
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc(Br)c1,CHEMBL2431054,6.29
+COc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431048,6.57
+CC(C)c1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431045,6.59
+CCc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431042,6.44
+CN1C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N=C1N,CHEMBL2442275,5.06
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058418,5.1
+NC1=N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2442271,5.34
+CN1C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N=C1N,CHEMBL511879,5.38
+CNC1=N/C(=C\c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2058706,5.44
+NC1=N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1,CHEMBL2442273,5.5
+NC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2442274,5.67
+CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12,CHEMBL2058407,5.85
+NC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1,CHEMBL2442270,5.93
+CNC1=N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2058704,6.17
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,6.18
+CNC1=N/C(=C\c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2058703,6.33
+CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N=C1N,CHEMBL2442276,6.55
+NC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2442272,7.24
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,6.41
+Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL325262,6.3
+Clc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL3093270,6.02
+Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL3093269,6.29
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,7.28
+Clc1ccccc1N1CCN(CCc2ccccc2)CC1,CHEMBL3093268,6.32
+c1ccc(CCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL145867,5.91
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCCC2,CHEMBL3120699,6.9
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(Cl)cc2c2c1CCC2,CHEMBL3120698,6.6
+O=c1oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120697,8.28
+Cc1c(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc2c3c(c(=O)oc12)CCC3,CHEMBL3120696,8.66
+O=c1oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120695,6.37
+O=c1oc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120694,6.73
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)CC1,CHEMBL3120693,5.99
+COc1ccccc1N1CCN(CCCCOc2cc3oc(=O)c4c(c3cc2Cl)CCC4)CC1,CHEMBL3120692,7.44
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2Cl)CCC4)CC1,CHEMBL3120691,6.98
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1,CHEMBL3120690,6.76
+COc1ccccc1N1CCN(CCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120689,6.21
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120688,7.88
+O=c1oc2cc(OCCCCN3CCC(c4nc5ccccc5s4)CC3)ccc2c2c1CCC2,CHEMBL3120687,5.73
+O=c1oc2cc(OCCCCN3CCC(c4nc5ccccc5o4)CC3)ccc2c2c1CCC2,CHEMBL3120165,7.79
+O=c1oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc2c2c1CCC2,CHEMBL3120686,6.19
+O=c1oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc2c2c1CCC2,CHEMBL3120685,5.85
+COc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1,CHEMBL3120683,6.05
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120682,8.41
+O=c1oc2cc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2c2c1CCC2,CHEMBL3120681,6.76
+Cc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1C,CHEMBL3120680,7.93
+O=c1oc2cc(OCCCCN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2,CHEMBL3120679,7.78
+O=c1oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c2c1CCC2,CHEMBL3120678,7.1
+O=c1oc2cc(OCCCCN3CCN(c4ccccc4)CC3)ccc2c2c1CCC2,CHEMBL3120702,7.23
+CNC(Cc1ccc2c(c1)OCO2)c1ccccc1,CHEMBL3220673,5.91
+O=C(NCCN1CCC(c2nc3ccccc3o2)CC1)C1COc2ccccc2O1,CHEMBL3233857,7.06
+O=C(NCCN1CCC(c2nc3ccccc3s2)CC1)C1COc2ccccc2O1,CHEMBL3233858,6.95
+O=C(NCCCN1CCC(c2nc3ccccc3o2)CC1)C1COc2ccccc2O1,CHEMBL3233859,7.06
+O=C(NCCCN1CCC(c2nc3ccccc3s2)CC1)C1COc2ccccc2O1,CHEMBL3233860,7.05
+c1ccc2c(c1)OCC(COCCCN1CCC(c3nc4ccccc4o3)CC1)O2,CHEMBL3233861,7.52
+c1ccc2c(c1)OCC(COCCCN1CCC(c3nc4ccccc4s3)CC1)O2,CHEMBL3233862,7.55
+CC1Oc2ccccc2OC1COCCCN1CCC(c2nc3ccccc3o2)CC1,CHEMBL3233863,8.09
+CC1Oc2ccccc2OC1COCCCN1CCC(c2nc3ccccc3s2)CC1,CHEMBL3233864,6.88
+c1ccc(C2Oc3ccccc3OC2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233865,8.39
+c1ccc(C2Oc3ccccc3OC2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233866,7.72
+c1ccc(C2Oc3ccccc3OC2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233867,9.15
+c1ccc(C2Oc3ccccc3OC2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233868,7.62
+c1ccc(C2Oc3ccccc3OC2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1,CHEMBL3233869,9.13
+c1ccc(C2Oc3ccccc3OC2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1,CHEMBL3233870,6.83
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.55
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360991,7.04
+COc1ccccc1N1CCN(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360992,6.03
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360993,7.28
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360994,6.29
+COc1ccccc1N1CCN(CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360995,5.98
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360996,6.99
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n(C)c1=O,CHEMBL3360997,6.79
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O,CHEMBL3360998,6.34
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360999,6.51
+COc1ccccc1N1CCN(CCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3361000,6.22
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361001,7.27
+Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361002,4.98
+Cn1c(=O)c2c(ncn2CCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361003,4.66
+Cn1c(=O)c2c(ncn2CCCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361004,4.78
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361005,7.68
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590098,6.77
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1,CHEMBL3590097,6.3
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590096,6.38
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590095,6.91
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590094,7.42
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1,CHEMBL3590093,7.12
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590092,7.32
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590091,6.8
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590090,7.57
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL3590089,7.23
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590088,7.11
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590087,7.06
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3589978,7.68
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL3589977,7.01
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3589976,6.95
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)c(F)c4)CC3)noc2c1,CHEMBL3634819,7.63
+Fc1ccc2c(C3CCN(CCCOc4ccc(Cc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634821,8.57
+Fc1ccc2c(C3CCN(CCCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634822,6.14
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6s5)cc4)CC3)noc2c1,CHEMBL3634823,5.9
+Fc1ccc2c(C3CCN(CCCOc4ccc(CCc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634824,7.42
+CC(c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1)c1nc2ccccc2o1,CHEMBL3634825,7.52
+COc1cc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1-c1nc2ccccc2o1,CHEMBL3634818,7.14
+Cc1cc(-c2nc3ccccc3o2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL3634817,7.39
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6cc(Cl)ccc6o5)cc4)CC3)noc2c1,CHEMBL3634816,6.87
+c1ccc2oc(-c3ccc(OCCCN4CCN(c5nsc6ccccc56)CC4)cc3)nc2c1,CHEMBL3634814,7.77
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634813,8.08
+O=C(c1ccc(F)cc1F)C1CCN(CCCOc2ccc(-c3nc4ccccc4o3)cc2)CC1,CHEMBL3634812,6.7
+c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1,CHEMBL3634811,7.41
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4o3)cc2)CC1,CHEMBL3634810,7.53
+c1ccc2oc(-c3ccc(OCCCN4CCC(c5nc6ccccc6s5)CC4)cc3)nc2c1,CHEMBL3634809,6.55
+c1ccc2oc(-c3ccc(OCCCN4CCC(c5nc6ccccc6o5)CC4)cc3)nc2c1,CHEMBL3634808,6.61
+c1ccc2c(c1)OCC(CN1CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC1)O2,CHEMBL3634807,5.85
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1,CHEMBL3634806,5.63
+Cc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1C,CHEMBL3634805,5.67
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1,CHEMBL3634804,5.35
+Clc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1Cl,CHEMBL3634803,5.54
+c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1,CHEMBL3634802,5.33
+COc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1,CHEMBL313620,6.96
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(CN3CCC(c4noc5cc(F)ccc45)CC3)C2)cc1,CHEMBL3740680,7.52
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741698,7.18
+O=S(=O)(c1cccs1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742136,6.34
+O=S(=O)(c1ccc2ccccc2c1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740811,7.49
+O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)c1,CHEMBL3740759,6.87
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3739523,7.57
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741292,9.1
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740256,7.8
+N#Cc1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742368,6.95
+O=S(=O)(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742391,6.43
+Cc1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3739935,5.82
+O=C(/C=C/c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741516,5.67
+COc1ccc(C(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3740636,6.92
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741140,7.14
+O=C(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740807,7.72
+O=C(c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741596,6.94
+CC(C)(C)C(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741933,6.51
+O=C(C1CC1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742362,6.67
+O=C(NCc1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741924,6.58
+O=C(Nc1ccc(Cl)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740925,8.17
+Cc1ccc(NC(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742070,7.57
+CCN(C)C(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3739805,5.96
+CN(C)C(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741925,6.25
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1)c1ccccc1,CHEMBL3261686,6.62
+COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261695,6.63
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OC(CCN(C)C)c3ccccc3)cc1)CC2,CHEMBL3752465,6.86
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,8.52
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1,CHEMBL3752844,7.23
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3753681,8.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,6.56
+O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1,CHEMBL3765122,8.01
+O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763812,10.9
+O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3765231,10.34
+O=C(NCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccncc1,CHEMBL3764080,9.1
+O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3764341,8.45
+O=C(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1,CHEMBL3763558,8.97
+O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763474,10.41
+O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3764420,9.64
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccncc1,CHEMBL3763834,6.7
+COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL104593,6.23
+COc1ccc(N2CCN(CCNC(=O)c3ccncc3)CC2)cc1,CHEMBL192242,6.04
+CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3765463,7.79
+N#Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3764074,7.26
+Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3764772,6.2
+Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C,CHEMBL3763242,7.15
+O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL3763714,6.33
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL3764539,7.45
+O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3763633,6.18
+O=C(NCCN1CCN(c2ncccn2)CC1)c1ccncc1,CHEMBL3765622,5.56
+O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccncc1,CHEMBL3764313,5.44
+O=C(NCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1,CHEMBL3764761,8.16
+O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1,CHEMBL3764752,7.38
+O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccncc1,CHEMBL3764666,6.95
+COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3765470,9.6
+COc1ccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)cc1,CHEMBL3764009,5.9
+CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3764534,6.68
+N#Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1,CHEMBL3764925,6.74
+Cc1cccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)c1C,CHEMBL3764575,6.11
+O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL3764284,7.03
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL3765273,5.86
+O=C(NCCCN1CCN(c2ccccn2)CC1)c1ccncc1,CHEMBL3763429,6.1
+Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3617113,10.37
+FC(F)(F)c1cccc(NC(=S)NCc2ccccc2)c1,CHEMBL1404528,9.22
diff --git a/chembl_200/CHEMBL3222.csv b/chembl_200/CHEMBL3222.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7218534b84d51f4c38ccace216b31f82f2219ea0
--- /dev/null
+++ b/chembl_200/CHEMBL3222.csv
@@ -0,0 +1,411 @@
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@H](C)C1,CHEMBL102497,8.085
+C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,CHEMBL25230,9.04
+C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL321092,6.9
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1,CHEMBL100911,8.59
+Cc1ccc(O)c(C(=O)NC[C@]2(C)C[C@H](O)CC(C)(C)C2)c1,CHEMBL2051964,9.34
+CCN1CC[C@]2(c3cccc(O)c3)Cc3c([nH]c(C(=S)N(CC)CC)c3C)C[C@H]2C1,CHEMBL101516,8.82
+CCOC(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(CC)C[C@@H]1C2,CHEMBL322181,8.62
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1,CHEMBL327956,7.82
+CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@H]1CN(C)CC[C@]1(c1cccc(O)c1)C2,CHEMBL108076,8.68
+CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(C)C[C@@H]1C2,CHEMBL316863,8.52
+CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1,CHEMBL101623,8.17
+C=CCN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL22650,6.86
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+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270382,8.2
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270185,9.24
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270383,9.68
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL1270474,9.29
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270475,9.845
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270573,9.11
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834895,7.79
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@@H]3N1[C@H]2O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL1834896,7.28
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CCC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H]1O5,CHEMBL1834898,7.3
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1834899,8.22
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834900,8.11
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834902,7.4
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834903,7.27
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929366,7.91
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929367,8.33
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929368,9.92
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929369,9.46
+Oc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(O)CO2,CHEMBL2016672,8.03
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@@]5(NC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016673,7.87
+Oc1ccc2c3c1O[C@H]1[C@]4(O)C=N[C@]5(CC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016674,8.21
+CN1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016675,8.64
+O=C(c1ccccc1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016676,8.0
+O=C(C1CC1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016677,7.92
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@]5([C@@H](C2)N(CC2CC2)CC[C@]315)N(CC1CC1)C4,CHEMBL2016678,9.13
+CN[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2016679,8.6
+O=C1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057689,6.03
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057691,6.51
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057692,6.69
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2057693,8.68
+CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147891,9.45
+CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147901,9.23
+CN1CC[C@]23Cc4nc5cc(Cl)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147902,9.39
+CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147903,9.63
+CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147904,9.84
+CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147905,9.14
+CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147906,9.59
+CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147907,9.84
+Cc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147908,9.83
+Cc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147909,9.47
+Cc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147910,9.44
+Cc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147911,9.57
+CN1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147912,8.56
+CN1CC[C@]23Cc4nc5ccc(O)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147913,8.61
+CN1CC[C@]23Cc4[nH]c5cc(=O)ccc-5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147914,9.55
+CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147915,10.04
+COc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147916,9.82
+COc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147917,9.06
+COc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147918,9.09
+COc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147919,9.3
+CN1CC[C@]23Cc4nc5cccc(C(F)(F)F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147920,9.61
+CN1CC[C@]23Cc4nc5ccc(C(F)(F)F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147921,9.03
+CN1CC[C@]23Cc4nc5cc(C(F)(F)F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147922,8.89
+CN1CC[C@]23Cc4nc5c(C(F)(F)F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147923,9.31
+CN1CC[C@]23Cc4nc5cccc([N+](=O)[O-])c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147924,9.46
+CN1CC[C@]23Cc4nc5ccc([N+](=O)[O-])cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147925,8.58
+CN1CC[C@]23Cc4nc5cc([N+](=O)[O-])ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147926,9.0
+CN1CC[C@]23Cc4nc5c([N+](=O)[O-])cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147927,9.66
+CN(C)c1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147928,9.21
+CN(C)c1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147929,9.02
+CN(C)c1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147930,8.78
+CN(C)c1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147931,9.2
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc2cccc4c6c([nH]c24)[C@@H]2Oc4c(OCCc7ccccc7)ccc7c4[C@@]24CCN(CC2CC2)[C@H](C7)[C@]4(O)C6)CC[C@@]3(O)[C@H]1C5,CHEMBL2151327,6.69
+Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(OCCc4ccccc4)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL2151328,7.04
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2C)cc1,CHEMBL2151245,7.7
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc2C)cc1,CHEMBL2151246,5.54
+CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2151247,7.51
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)CCCCCCCCCCCC)CC[C@@]3(O)[C@H]1C5,CHEMBL2164301,7.82
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)CCCCCC)CC[C@@]3(O)[C@H]1C5,CHEMBL2164300,7.49
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164298,7.72
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc4ccccc4c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164297,8.26
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164296,7.75
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2164295,7.74
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(O)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163546,7.95
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163545,7.29
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(N)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163544,7.44
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(OC)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163543,7.76
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(C(F)(F)F)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163542,8.53
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(C)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163541,8.08
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163540,7.22
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(Br)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163539,7.63
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(Cl)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163538,8.31
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(F)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163537,7.74
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccc(I)cc2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163536,8.47
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2ccccc2I)CC[C@@]3(O)[C@H]1C5,CHEMBL2163535,7.64
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL2163534,8.12
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795712,8.59
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,CHEMBL1795713,8.61
+O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,CHEMBL1795711,9.62
+O=C1CC2N(CC3CC3)CCC34CC(O)=C1CC23Cc1ccc(O)cc14,CHEMBL2207677,6.39
+O=C1CC23CCN(CC4CC4)C4CCC1CC42Cc1ccc(O)cc13,CHEMBL2207678,7.36
+O=C1CC23CCN(CC4CC4)C4C=CC1CC42Cc1ccc(O)cc13,CHEMBL2207679,7.28
+O=C1CC23CCN(CC4CC4)C4C[C@@H](O)C1CC42Cc1ccc(O)cc13,CHEMBL2207680,7.17
+O=C1CC23CCN(CC4CC4)C4C[C@H](O)C1CC42Cc1ccc(O)cc13,CHEMBL2207681,6.84
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(Cc2ccccc2)CC[C@]315)O[C@H]1CO[C@H]2CO[C@@H]4N21,CHEMBL2204022,7.08
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@@H](OC1(C)C)C(C)(C)O[C@H]32,CHEMBL2204036,6.27
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@H]3CO[C@@H]2N31,CHEMBL2204034,6.07
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1CO[C@@H]3CO[C@H]2N31,CHEMBL2204033,7.1
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@@H]2CO[C@H]4N21,CHEMBL2204025,7.0
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@H]2CO[C@@H]4N21,CHEMBL2204026,7.1
+CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@H]3OC2(C)C,CHEMBL2204027,7.14
+CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@@H]3OC2(C)C,CHEMBL2204028,7.66
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1CO[C@@H]3CO[C@H]2N31,CHEMBL2204029,6.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@H]3CO[C@@H]2N31,CHEMBL2204030,6.88
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1N3[C@H](OC1(C)C)C(C)(C)O[C@@H]32,CHEMBL2204031,7.1
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@@H](OC1(C)C)C(C)(C)O[C@H]32,CHEMBL2204032,8.01
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205421,7.49
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205420,8.25
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205419,9.21
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2205418,7.31
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205417,7.48
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205416,7.58
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205415,7.13
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205414,7.35
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205413,6.63
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205412,8.06
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204731,7.32
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204730,8.07
+CC(C)CN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315359,6.29
+CCCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315360,6.75
+CCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315361,6.29
+CN(CCC[C@]1(O)[C@H]2CCN(C)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315362,7.45
+O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,CHEMBL502411,5.54
+O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,CHEMBL506616,5.38
+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,6.25
+CC(=O)N1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387740,9.32
+CC(=O)N1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387739,9.8
+CC(=O)N1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387738,8.14
+CC(=O)N1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387737,6.53
+O=C(Nc1ccccc1)[C@@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387736,7.11
+O=C(Nc1ccccc1)[C@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387735,6.8
+O=C(Nc1ccccc1)[C@@H]1N(Cc2ccccc2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215911,6.61
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387733,9.44
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3215910,9.41
+O=C(Nc1ccccc1)[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215909,7.28
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387730,8.83
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL2387729,8.03
+O=C(Nc1ccccc1)[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215686,7.98
+CN1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387727,9.8
+CN1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387726,9.44
+CN1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216580,8.89
+CN1[C@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387724,9.27
+CN1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216802,9.03
+CN1[C@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3217022,9.44
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3215908,9.82
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216579,9.66
+O=C(Nc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3216338,8.39
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3216801,8.95
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216131,8.48
+O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217021,9.09
+O=C(Nc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217020,8.75
+O=C(Nc1ccccc1)[C@H]1O[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2016680,8.99
+CN1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419117,8.03
+N#Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc12,CHEMBL2419116,6.89
+Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc12,CHEMBL2419125,6.93
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2c(Cl)n1,CHEMBL2419124,7.1
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc2ccccc2n1,CHEMBL2419123,7.1
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc2ccccc2c1O,CHEMBL2417568,7.48
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1nc(Cl)c2ccccc2c1O,CHEMBL2419122,7.76
+COc1c(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)nc(Cl)c2ccccc12,CHEMBL2419121,7.47
+O=C(CNC(=O)c1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419120,8.04
+O=C(CCc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419119,8.08
+O=C(Cc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2419118,7.9
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1,CHEMBL522201,6.79
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C=C[C@H]3[C@H]1C5,CHEMBL2437067,8.29
+COc1ccc(/C=C/C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)cc1,CHEMBL2437066,7.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C=C[C@H]3[C@H]1C5,CHEMBL2437065,7.84
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)C=C[C@H]3[C@H]1C5,CHEMBL2437064,8.03
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)/C=C/c2ccccc2)C=C[C@H]3[C@H]1C5,CHEMBL2437063,7.99
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL2436046,9.69
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436045,8.6
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1,CHEMBL2436057,9.15
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1,CHEMBL2436056,9.57
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436055,7.66
+C=CCN1C2CCC3C1CCC2N3C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL2434980,9.2
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436054,9.08
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(O)c1,CHEMBL2436053,8.89
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(O)c1,CHEMBL2436052,9.68
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(C)C)cc1)c1cccc(O)c1,CHEMBL2436051,9.05
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1,CHEMBL2436050,9.64
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436049,7.35
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1,CHEMBL2436048,8.99
+C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1,CHEMBL2436047,9.0
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL556578,7.0
+COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O,CHEMBL2442645,5.42
+CCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442643,5.42
+CCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442642,5.19
+CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442641,5.11
+CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442640,4.65
+CCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL426912,4.37
+CC(C)CC(=O)OC/C=C\CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442639,4.96
+O=C(/C=C/C=C/C=C/c1cccs1)N1C=CCCC1,CHEMBL2442638,4.94
+O=C(/C=C/C=C/C=C/c1cccs1)N1CCCCC1,CHEMBL2442637,5.1
+CC(C)CNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442636,4.59
+CC(C)CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442635,4.58
+COCCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215715,8.84
+Oc1ccc2c(c1)[C@]13CCN(CC(F)(F)F)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3092400,8.95
+Oc1ccc2c(c1)[C@]13CCN(CC(F)F)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215944,8.96
+CCOCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215946,9.25
+Oc1ccc2c(c1)[C@]13CCN(C[C@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215718,9.42
+COCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216837,9.47
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccoc4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3217260,9.49
+OCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216603,9.5
+C[C@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216156,9.56
+Oc1ccc2c(c1)[C@]13CCN(C[C@@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216841,9.59
+COCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215714,9.61
+C[C@@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3217264,9.65
+CCOCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216840,9.65
+Oc1ccc2c(c1)[C@]13CCN(CCF)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216602,9.67
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccco4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215943,9.68
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215947,9.68
+CCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216601,9.79
+CCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216835,9.85
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]12CC[C@]1(O)[C@H]3[C@H](O2)C(=O)N1Cc1ccccc1,CHEMBL3264741,6.76
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264742,9.5
+CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264743,8.71
+CC(C)CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264744,8.15
+C=CCN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264745,8.91
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264746,8.59
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1c1ccccc1,CHEMBL3264747,9.27
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1CCc1ccccc1,CHEMBL3264748,8.94
+O=C1C[C@H]2N(CN1Cc1ccccc1)[C@@]13CC[C@]2(O)C2Oc4c(O)ccc5c4C21CCN(CC1CC1)C3C5,CHEMBL3339375,8.31
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339374,9.82
+O=C1C[C@@H]2N(CN1Cc1ccccc1)[C@@]13CC[C@]2(O)C2Oc4c(O)ccc5c4C21CCN(CC1CC1)C3C5,CHEMBL3339373,8.42
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339372,8.95
+Oc1ccc2c3c1OC1C34CCN(CC3CC3)C(C2)[C@]42CC[C@@]1(O)C=N2,CHEMBL3339376,8.21
+O=C(Nc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339377,9.49
+O=C(NCc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339378,9.21
+O=C(NCCc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339379,9.07
+O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339380,9.09
+O=C(NCc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339381,9.35
+C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccccc1O,CHEMBL3338874,7.05
+CC1(c2cccc(O)c2)OC2COC3N2C1OC3(C)c1cccc(O)c1,CHEMBL3326355,6.19
+C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1O[C@]12C,CHEMBL3394774,4.6
+COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,CHEMBL73930,5.15
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC,CHEMBL312750,4.92
+COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,CHEMBL74272,4.43
+COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC,CHEMBL312790,4.9
+COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC,CHEMBL476121,5.44
+C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,CHEMBL3394775,4.63
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2cc([N+](=O)[O-])ccc2cn1,CHEMBL3401554,7.02
+O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccc([N+](=O)[O-])cc2cn1,CHEMBL3401555,7.26
+CN(C)c1ccc2cc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)ncc2c1,CHEMBL3401556,7.16
+COc1cc2cnc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2cc1OC,CHEMBL3401557,7.16
+CN(C)c1ccc2c(c1)CN(C)C(C(=O)N[C@H]1CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]1O6)C2,CHEMBL3401558,8.35
+C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2,CHEMBL3604282,8.04
+C=CCN1C2CCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2,CHEMBL3604281,8.74
+C=CCN1CC2CCCC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604280,8.73
+C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604279,9.47
+C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1,CHEMBL3604278,8.75
+CN(C(=O)c1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613170,8.19
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613171,9.74
+CN(C(=O)CCc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613172,8.94
+CN(C(=O)/C=C/c1ccoc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613167,7.85
+CN(C(=O)c1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613166,8.65
+CN(C(=O)CCc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613164,8.45
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613163,8.4
+CN(C(=O)Cc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613173,8.92
+CN(C(=O)c1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613174,8.44
+CN(C(=O)/C=C/c1ccoc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613175,7.72
+CN(C(=O)CCc1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613280,7.49
+CN(C(=O)Cc1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613281,7.82
+CN(C(=O)c1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613282,8.9
diff --git a/chembl_200/CHEMBL3223.csv b/chembl_200/CHEMBL3223.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c7aca8ad05ad957fa4522c121b6bbe26cad5895a
--- /dev/null
+++ b/chembl_200/CHEMBL3223.csv
@@ -0,0 +1,402 @@
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL285066,7.0
+Cc1cccc(O)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL26907,7.537000000000001
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3,CHEMBL25924,8.01
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL95067,7.68
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.1
+O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1423,9.3
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,8.25
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL13816,7.22
+CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL93240,8.4
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,7.68
+CC[C@@](C)(CO)CNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL97518,7.1
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,6.58
+CN1CCN(C2=Nc3ccccc3Nc3sccc32)CC1,CHEMBL96055,6.98
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,7.37
+Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,CHEMBL85,8.67
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,6.82
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,7.8
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL267777,7.81
+COc1ccc2onc(N3CCN(CCCCCC(=O)c4ccccc4O)CC3)c2c1,CHEMBL157840,6.34
+COc1cccc(C(=O)CCCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL160286,7.34
+COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1,CHEMBL347837,7.36
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1,CHEMBL158850,7.55
+O=C(CCCCCN1CCN(c2ccccc2)CC1)c1ccccc1O,CHEMBL347629,7.37
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,8.53
+COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1,CHEMBL157081,7.79
+COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1,CHEMBL160194,7.23
+COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26677,6.96
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,9.05
+O=C(CCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160706,7.71
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1,CHEMBL155861,7.63
+O=C(CCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL422008,7.28
+COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1,CHEMBL160906,7.82
+COc1cccc(C(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26135,7.07
+O=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)c1ccccc1O,CHEMBL158332,6.17
+O=C(CCCCCN1CCN(c2ccccn2)CC1)c1ccccc1O,CHEMBL156385,6.98
+COc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1,CHEMBL158770,7.57
+COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2O)CC1,CHEMBL156089,8.24
+O=C(CCCCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1O,CHEMBL158592,6.83
+O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O,CHEMBL157362,6.42
+CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL53,6.73
+CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1,CHEMBL22778,5.5
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,8.25
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3,CHEMBL284586,8.16
+CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL281357,7.06
+Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL27940,7.42
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,8.47
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,5.88
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O,CHEMBL417473,8.37
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O,CHEMBL285352,6.99
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,7.74
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,6.27
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,8.96
+CCO[C@@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL280804,8.52
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@]3(C)O,CHEMBL27309,7.56
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O,CHEMBL26751,7.87
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,7.87
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3=O,CHEMBL26471,6.54
+CCO[C@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281554,7.59
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,8.96
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(OS(=O)(=O)C(F)(F)F)cccc2OS(=O)(=O)C(F)(F)F)c1-3,CHEMBL282413,6.15
+CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c1-3,CHEMBL281273,7.44
+Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1,CHEMBL12264,7.3
+COc1cccc(OC)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL283065,7.895
+O=C1Nc2cccc3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL25815,8.48
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,6.47
+CN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5,CHEMBL120927,7.57
+CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5,CHEMBL122485,6.55
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,7.26
+CN1CCc2ccc3ncc4cccc5c4c3c2[C@H]1C5,CHEMBL122453,7.09
+CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL124419,5.83
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.57
+CC(=O)c1cccc(-c2cccc(NC3=NCCN3)c2C)c1,CHEMBL540821,6.81
+Cc1c(NC2=NCCN2)cccc1-c1cccs1,CHEMBL329548,7.78
+Cc1c(NC2=NCCN2)cccc1-c1cccc(C#N)c1,CHEMBL544315,6.77
+COc1ccc(-c2cccc(NC3=NCCN3)c2C)c(OC)c1,CHEMBL92856,7.39
+Cc1cccc(-c2cccc(NC3=NCCN3)c2C)c1,CHEMBL90752,7.67
+Cc1c(NC2=NCCN2)cccc1-c1cccc(C(F)(F)F)c1,CHEMBL90150,7.34
+Cc1c(NC2=NCCN2)cccc1-c1ccsc1,CHEMBL90118,7.5
+Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1,CHEMBL327906,7.58
+COc1cccc(-c2cccc(NC3=NCCN3)c2C)c1,CHEMBL94017,7.45
+Cc1c(NC2=NCCN2)cccc1-c1ccccc1,CHEMBL92221,7.79
+Cc1c(NC2=NCCN2)cccc1-c1cccnc1,CHEMBL327654,6.59
+Cc1c(NC2=NCCN2)cccc1-c1cccc(C(C)C)c1,CHEMBL94056,6.74
+Cc1c(NC2=NCCN2)cccc1-c1cccc(F)c1,CHEMBL90538,7.55
+COc1ccc(-c2cccc(NC3=NCCN3)c2C)cc1,CHEMBL316283,7.56
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,5.95
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,7.4
+CN(C)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1,CHEMBL611472,9.6
+COc1ccccc1N1CCNCC1,CHEMBL9666,6.755
+COc1cccc2c1C[C@H](N)CC2,CHEMBL1161324,6.91
+CCN(CC)[C@@H]1CCc2cccc(OC)c2C1,CHEMBL608536,7.06
+COc1ccc2c(c1)CC[C@@H](N)C2,CHEMBL1161325,5.8
+COc1ccc2cccc(N3CCNCC3)c2c1,CHEMBL300824,7.69
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,9.03
+CN(C)CCc1c[nH]c2ccc(O)cc12,CHEMBL416526,8.1
+CCCN(CCC)[C@H]1CCc2cccc(OC)c2C1,CHEMBL315684,6.47
+COc1ccc2[nH]cc(CCN3CCCC3)c2c1,CHEMBL608537,6.2
+Cc1[nH]c(C)c(-c2cccc3c2CC[C@H](N(C)C)C3)c1C,CHEMBL609675,9.08
+CCCN(CCC)[C@@H]1CCc2cccc(OC)c2C1,CHEMBL90053,7.47
+COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1,CHEMBL346906,6.4
+O=C1c2cccc3cccc(c23)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL12259,7.1
+CC(C)C1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1,CHEMBL273452,6.7
+COc1ccccc1N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1,CHEMBL13032,6.7
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL69257,7.3
+O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL346191,6.0
+COc1ccccc1N1CCN(CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1,CHEMBL430280,6.6
+O=C1c2cccc3cccc(c23)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL153132,6.2
+O=S1(=O)c2cccc3cccc(c23)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL12933,6.7
+COc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1,CHEMBL12908,6.7
+COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4cccc2c34)CC1,CHEMBL273982,7.0
+COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1,CHEMBL276206,7.2
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,7.3
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,7.9
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,CHEMBL8514,7.2
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,8.1
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,CHEMBL274384,8.0
+CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL428892,9.0
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,8.2
+Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1,CHEMBL12624,8.51
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C(F)(F)F)c2)CC1,CHEMBL366516,6.98
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C)c2)CC1,CHEMBL177064,7.68
+COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1,CHEMBL181874,7.72
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL94984,8.0
+CC1=CC=CC(C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL3085300,7.68
+CC1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL3085301,8.4
+COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL187088,7.12
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1,CHEMBL185762,7.28
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1,CHEMBL364124,7.72
+COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,CHEMBL427518,7.0
+COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2,CHEMBL364795,7.12
+CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1,CHEMBL188876,7.27
+COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccc(C)cc1)C2,CHEMBL359538,6.28
+CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(C)cc1,CHEMBL187764,7.96
+COc1ccc(S(=O)(=O)NCCCN2CCc3cc(OC)ccc3C2)cc1,CHEMBL364557,6.44
+CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL184310,7.72
+COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2,CHEMBL360382,6.41
+CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12,CHEMBL188036,6.25
+COc1ccc2c(c1)c(CCN(C)C)cn2C,CHEMBL7220,5.93
+COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1,CHEMBL366081,5.96
+COc1ccc2c(c1)N(CCN(C)C)CCO2,CHEMBL2051975,5.945
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,8.1
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,8.59
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N)C2,CHEMBL184666,7.1
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1,CHEMBL186112,8.53
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL186316,8.57
+CCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL361287,6.44
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL186758,7.9
+CCCN(CCC)[C@H]1COc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL182792,8.19
+COc1cccc(OC)c1-c1cccc2c1OC[C@H](N(C)C)C2,CHEMBL183329,8.28
+O=C1Nc2cccc3c2C1(CCCCN1CCc2sccc2C1)CCC3,CHEMBL314055,8.19
+O=S(=O)(c1ccc2c(c1)CC=C2)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL362354,8.7
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,8.65
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1,CHEMBL362540,8.47
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1,CHEMBL184535,8.76
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL188176,7.91
+COc1cccc(OC)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2,CHEMBL427326,6.44
+Cc1cccc(C)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2,CHEMBL367584,7.87
+COc1c(-c2ccc3c(c2)C[C@H](N(C)C)CO3)ccc2ccccc12,CHEMBL183676,7.12
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,8.7
+COc1cccc(OC)c1-c1cccc2c1OC[C@@H](N(C)C)C2,CHEMBL2112053,8.28
+COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1,CHEMBL279841,7.05
+COc1ccccc1N1CCN(C/C=C/CN2C(=O)CCC2=O)CC1,CHEMBL365412,7.2
+COc1ccccc1N1CCN(C/C=C\CN2C(=O)CCC2=O)CC1,CHEMBL186734,6.1
+COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)CCC2=O)CC1,CHEMBL185936,6.04
+COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)CCC3=O)CC2)CC1,CHEMBL187270,4.94
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,CHEMBL8618,7.06
+COc1ccccc1N1CCN(C/C=C/CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL186334,7.44
+COc1ccccc1N1CCN(C/C=C\CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL365201,6.45
+COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)c3ccccc3C2=O)CC1,CHEMBL185988,6.44
+COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)c4ccccc4C3=O)CC2)CC1,CHEMBL441313,5.69
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL370758,7.0
+COc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL28063,6.57
+O=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL222188,7.18
+Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222755,7.82
+O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21,CHEMBL225571,7.2
+O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21,CHEMBL222477,7.4
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21,CHEMBL225512,7.94
+CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL387738,6.53
+CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL225284,9.66
+NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222489,6.64
+CC(=O)c1ccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)cc1,CHEMBL225171,5.58
+CC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374298,6.3
+N#Cc1ccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)cc1,CHEMBL222275,5.85
+N#Cc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224935,7.01
+COc1ccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)cc1,CHEMBL222507,5.68
+COc1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL224883,6.92
+COc1ccc(OC)c(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,CHEMBL374297,7.15
+COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL374261,6.91
+CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389718,8.38
+N#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL221513,7.31
+COc1ccc2oc(N3CCN(CCCCCC(=O)NC4CCCc5ccccc54)CC3)nc2c1,CHEMBL441560,6.15
+O=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)NC1CCCc2ccccc21,CHEMBL388970,6.45
+O=C(CCCCCN1CCN(c2nc3ccccc3o2)CC1)NC1CCCc2ccccc21,CHEMBL222604,6.09
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)NC1CCCc2ccccc21,CHEMBL222603,6.9
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL224820,8.18
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222864,8.22
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL222807,7.04
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL222262,7.5
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL225441,7.19
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c32)CC1,CHEMBL224929,6.81
+COc1ccc2c(c1)C(NC(=O)CCCCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL221732,7.39
+COc1ccc2c(c1)C(NC(=O)CCCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL376531,7.42
+COc1ccc2c(c1)C(NC(=O)CCCN1CCN(c3ccccc3OC)CC1)CCC2,CHEMBL390062,6.89
+COc1ccc2c(c1)CCCC2NC(=O)CCCCCN1CCN(c2ccccc2OC)CC1,CHEMBL449089,7.52
+COc1ccc2c(c1)CCCC2NC(=O)CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL426723,7.37
+COc1ccc2c(c1)CCCC2NC(=O)CCCN1CCN(c2ccccc2OC)CC1,CHEMBL221453,6.73
+COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL390558,7.7
+COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL225252,7.55
+COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL376662,7.46
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL229940,6.32
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL389842,4.78
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL228940,5.44
+Cn1c(=O)c2c([nH]c(=O)n2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228939,5.74
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL390581,5.73
+Cn1c(=O)c2c([nH]c(=O)n2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL228938,4.86
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL390580,7.24
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCc2ccccc2C1,CHEMBL228882,7.08
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL228881,5.36
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCc2ccccc2C1,CHEMBL376773,5.24
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229366,6.9
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL390734,6.8
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229311,6.17
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL2448068,7.29
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2OC)CC1,CHEMBL1203946,7.27
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN1CCN(c2ccccc2)CC1,CHEMBL229180,6.71
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229179,6.57
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL229124,6.48
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1,CHEMBL389700,6.01
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL229123,6.89
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2OC)CC1,CHEMBL388133,6.39
+O=C(CCCCCN1CCN(c2cccc[n+]2[O-])CC1)NC1CCCc2ccccc21,CHEMBL244792,5.1
+O=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21,CHEMBL390213,6.56
+O=C(CCCCCN1CCN(c2ccccc2F)CC1)NC1CCCc2ccccc21,CHEMBL244577,6.88
+CS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL390015,5.37
+CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL389110,6.47
+Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244162,5.09
+CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL244161,7.6
+CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243955,9.05
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NC1CCCc2ccccc21,CHEMBL243954,9.89
+CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243953,6.27
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243744,8.96
+CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243743,5.55
+CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243742,7.3
+CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1,CHEMBL243523,8.15
+COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,CHEMBL240944,6.6
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1,CHEMBL492871,9.1
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL522194,7.15
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL494661,7.12
+CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL494458,8.24
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1,CHEMBL521687,6.83
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494512,6.53
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL494312,8.07
+N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1,CHEMBL522691,9.24
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(C#N)cc2)CC1,CHEMBL493909,8.05
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL493709,6.41
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL522343,8.29
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1,CHEMBL494709,9.01
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1,CHEMBL495321,7.46
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL495120,6.65
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492872,6.67
+CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1,CHEMBL492691,7.66
+COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492690,7.51
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL492282,8.22
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCc2ccccc2C1,CHEMBL492480,8.42
+CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1,CHEMBL493305,7.48
+COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494316,6.75
+CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL494119,7.27
+O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C1,CHEMBL494118,8.08
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1,CHEMBL523381,7.38
+c1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1,CHEMBL1644268,6.66
+Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644269,6.97
+FC(F)(F)Oc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644270,5.0
+Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1Cl,CHEMBL1644271,5.35
+FC(F)(F)c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644272,6.78
+Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)c(Cl)c1,CHEMBL1644273,5.68
+O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644274,6.35
+Cc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644275,7.46
+CC(C)(C)c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644276,5.0
+Clc1cccc(-c2cn(Cc3ccccc3)c3c2CNCC3)c1,CHEMBL1644277,5.0
+Fc1cccc(-c2cn(Cc3ccccc3)c3c2CNCC3)c1,CHEMBL1644278,5.56
+Fc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644279,7.35
+COc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644280,6.54
+Oc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1,CHEMBL1644281,5.0
+Clc1ccccc1Cn1cc(-c2ccccc2)c2c1CCNC2,CHEMBL1644484,4.64
+Clc1cccc(Cn2cc(-c3ccccc3)c3c2CCNC3)c1,CHEMBL1644485,5.18
+Clc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1,CHEMBL1644486,6.12
+Clc1ccc(-c2cn(Cc3cccc(Cl)c3)c3c2CNCC3)cc1,CHEMBL1644487,6.27
+CN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1,CHEMBL1644488,7.44
+CCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1,CHEMBL1644489,6.6
+CC(C)N1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1,CHEMBL1644490,6.43
+O=C1CSC(=O)N1CCCCCCCCNCC1CCc2ccccc2O1,CHEMBL1926760,7.92
+O=C1CSC(=O)N1CCCCCCNCC1CCc2ccccc2O1,CHEMBL1926759,7.06
+O=C1CSC(=O)N1CCCCCNCC1CCc2ccccc2O1,CHEMBL1926758,6.91
+O=C1C2CCCN2C(=O)N1C/C=C/CNCC1CCc2ccccc2O1,CHEMBL1926753,7.2
+O=C1C2CCCN2C(=O)N1CCCCCCNCC1CCc2ccccc2O1,CHEMBL1926751,8.12
+O=C1C2CCCN2C(=O)N1CCCCCNCC1CCc2ccccc2O1,CHEMBL1926686,7.03
+O=C1C2CCCN2C(=O)N1CCCNCC1CCc2ccccc2O1,CHEMBL1926750,7.22
+O=C1CSC(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926749,6.77
+O=C1C2CCSN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926747,6.31
+O=C1C2CCCN2C(=O)CN1CCCCNCC1CCc2ccccc2O1,CHEMBL1926745,6.38
+O=C1C2CCCCN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926744,7.18
+O=C1C2CCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1,CHEMBL1926735,7.17
+O=C1C2CCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1,CHEMBL1926734,7.39
+O=C1C2CCCN2C(=O)N1CCCCNCC1CCc2ccccc2O1,CHEMBL1926733,6.52
+O=C1C2CCCN2C(=O)N1CCCCNCCc1ccc2ccccc2c1,CHEMBL1926731,7.13
+O=C1C2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2c1,CHEMBL1926730,8.1
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,6.45
+COc1ccc(-c2ccccc2N2CCNCC2)cc1,CHEMBL2164336,8.59
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2cccnc12,CHEMBL2431041,7.82
+COc1ccc(OCCNCCCCN2C(=O)C3CCCN3C2=O)c2ccccc12,CHEMBL2431040,6.52
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1cccc2ccccc12,CHEMBL2431038,7.37
+CCOc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431051,7.77
+O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccccc1-c1ccccc1,CHEMBL2431046,7.0
+CCc1ccccc1OCCNCCCCN1C(=O)C2CCCN2C1=O,CHEMBL2431042,6.73
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,7.92
+Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1,CHEMBL3260335,7.08
+FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1,CHEMBL3260336,7.64
+C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1,CHEMBL3260337,7.51
+CC(C)c1noc(COc2ccc(Cl)cc2OC2CNC2)n1,CHEMBL3260338,6.56
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590098,7.37
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1,CHEMBL3590097,7.2
+O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590096,5.82
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590095,6.42
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590094,6.11
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1,CHEMBL3590093,6.89
+O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3590092,6.29
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590091,6.93
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3590090,7.43
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL3590089,7.33
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+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3590087,7.17
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL3589978,7.57
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1,CHEMBL3589977,7.15
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL3589976,7.03
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634813,6.12
+Fc1ccc2c(C3CCN(CCCOc4ccc(Cc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634821,7.72
+COc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1,CHEMBL3640550,8.42
+COc1ccc(-c2ccc(F)cc2C)cc1OC1CNC1,CHEMBL3640551,7.68
+COc1ccc(-c2ccccc2C#N)cc1OC1CNC1,CHEMBL3640552,7.47
+COc1ccc(-c2cccc(C)c2C)cc1OC1CNC1,CHEMBL3640553,7.96
+COc1ccc(-c2cccc(F)c2C)cc1OC1CNC1,CHEMBL3640554,7.72
+COc1ccc(-c2c(C)cccc2C)cc1OC1CNC1,CHEMBL3640555,8.09
+COc1ccc(-c2ccccc2OC(F)(F)F)cc1OC1CNC1,CHEMBL3640556,8.0
+COc1ccc(-c2ccccc2C)cc1OC1CNC1,CHEMBL3640557,7.87
+COc1ccc(-c2ccccc2OC)cc1OC1CNC1,CHEMBL3640558,7.3
+COc1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1OC1CNC1,CHEMBL3640559,6.95
+COc1ccc(-c2ccc(C)cc2)cc1OC1CNC1,CHEMBL3640560,6.12
+COc1ccc(-c2ccc(F)c(C)c2)cc1OC1CNC1,CHEMBL3640561,6.11
+COc1ccc(-c2cccc(C)c2)cc1OC1CNC1,CHEMBL3640562,6.0
+COc1ccc(-c2ccc(C)c(C)c2)cc1OC1CNC1,CHEMBL3640563,6.6
+COc1ccc(-c2ccccc2)cc1OC1CNC1,CHEMBL3640564,6.92
+COc1ccc(-c2cc(C)ccc2C)cc1OC1CNC1,CHEMBL3640565,6.94
+COc1ccc(-c2ccccc2Cl)cc1OC1CNC1,CHEMBL3640566,8.35
+COc1ccc(-c2ccccc2Cl)cc1OC1CN(C(C)C)C1,CHEMBL3640567,6.27
+COc1ccc(-c2ccccc2Cl)cc1OC1CN(C2CCC2)C1,CHEMBL3640568,6.52
+FC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1,CHEMBL3640569,7.59
+Clc1ccccc1-c1cccc(OC2CNC2)c1,CHEMBL3640570,7.46
+Cc1cccc(-c2cccc(OC3CNC3)c2)c1,CHEMBL3640571,6.12
+Cc1ccccc1-c1cccc(OC2CNC2)c1,CHEMBL3640572,7.17
+Clc1ccc(-c2ccccc2Cl)cc1OC1CNC1,CHEMBL3640573,8.05
+FC(F)(F)c1ccccc1-c1ccc(Cl)c(OC2CNC2)c1,CHEMBL3640574,7.98
+Cc1ccccc1-c1ccc(Cl)c(OC2CNC2)c1,CHEMBL3640575,7.81
+Cc1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1,CHEMBL3640576,6.39
+N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1,CHEMBL3640577,6.9
+N#Cc1ccc(-c2ccccc2)cc1OC1CNC1,CHEMBL3640578,5.0
+Cc1ccccc1-c1ccc(C#N)c(OC2CNC2)c1,CHEMBL3640579,6.29
+Cc1cc(C#N)c(OC2CNC2)cc1-c1ccccc1,CHEMBL3640580,5.0
+CCOc1ccc(-c2ccccc2C)cc1OC1CNC1,CHEMBL3640581,6.34
+Cc1ccccc1-c1ccc(OCC(F)(F)F)c(OC2CNC2)c1,CHEMBL3640582,6.28
+Cc1ccccc1-c1ccc(OC2CCC2)c(OC2CNC2)c1,CHEMBL3640583,6.18
+Cc1ccccc1-c1ccc(OCC2CC2)c(OC2CNC2)c1,CHEMBL3640584,6.12
+Cc1ccccc1-c1ccc(OC(C)C)c(OC2CNC2)c1,CHEMBL3640585,5.0
+CCN(CC)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1,CHEMBL3640586,5.64
+Cc1cccc(-c2ccc(Cl)cc2OC2CNC2)c1,CHEMBL3640587,6.72
+Cc1cc(-c2ccc(Cl)cc2OC2CNC2)ccc1F,CHEMBL3640588,6.33
+Cc1ccc(-c2ccc(Cl)cc2OC2CNC2)cc1C,CHEMBL3640589,6.68
+COc1ccc(-c2ccccc2C)cc1C1CCNC1,CHEMBL3640590,8.26
+COc1ccc(-c2cccc(F)c2C)cc1C1CCNC1,CHEMBL3640591,7.72
+COc1ccc(-c2cccc(F)c2F)cc1C1CCNC1,CHEMBL3640592,7.28
+COc1ccc(-c2cccc(C(F)(F)F)c2)cc1C1CCNC1,CHEMBL3640593,6.93
+COc1ccc(-c2ccccc2C(F)(F)F)cc1C1CCNC1,CHEMBL3640594,8.1
+COc1ccc(-c2ccccc2OC(F)(F)F)cc1C1CCNC1,CHEMBL3640595,7.7
+COc1ccc(-c2ccccc2)cc1C1CCNC1,CHEMBL3640596,6.89
+COc1ccc(-c2ccccc2)cc1C1CCN(C)C1,CHEMBL3640597,6.82
+c1ccc(-c2ccccc2C2CCNC2)cc1,CHEMBL3640598,6.92
+Cc1cccc(-c2ccccc2C2CCNC2)c1,CHEMBL3640599,7.1
+Cc1cccc(-c2ccccc2C2CCN(C)C2)c1,CHEMBL3640600,6.51
+Cc1ccc(-c2ccccc2C2CCNC2)cc1,CHEMBL3639394,6.92
+Cc1ccc(-c2ccccc2C2CCN(C)C2)cc1,CHEMBL3640601,6.37
+Clc1ccc(-c2ccccc2C2CCNC2)cc1,CHEMBL3640602,6.74
+Cc1ccc(-c2ccccc2C2CCNC2)cc1C,CHEMBL3640603,7.25
+Cc1ccc(-c2ccccc2C2CCN(C)C2)cc1C,CHEMBL3640604,6.81
+Cc1ccccc1-c1ccccc1C1CCNC1,CHEMBL3640605,6.68
+Cc1ccccc1-c1ccccc1C1CCN(C)C1,CHEMBL3640606,6.48
+COc1ccccc1-c1ccccc1C1CCNC1,CHEMBL3640607,6.52
+COc1ccccc1-c1ccccc1C1CCN(C)C1,CHEMBL3640608,6.14
+COc1ccc(C)cc1-c1ccccc1C1CCNC1,CHEMBL3640609,5.77
+Clc1cccc(-c2ccc(Cl)cc2C2CCNC2)c1,CHEMBL3640610,6.89
+Cc1cc(-c2ccc(Cl)cc2C2CCNC2)ccc1F,CHEMBL3640611,6.42
+Cc1ccc(-c2ccc(Cl)cc2C2CCNC2)cc1C,CHEMBL3640612,6.92
+COc1ccc(-c2ccccc2)cc1OC1CCNCC1,CHEMBL3640613,5.83
+COc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CCNCC1,CHEMBL3640614,7.23
diff --git a/chembl_200/CHEMBL3229.csv b/chembl_200/CHEMBL3229.csv
new file mode 100644
index 0000000000000000000000000000000000000000..426428cc4b109e632f4fa3ae0ea73b54377d262a
--- /dev/null
+++ b/chembl_200/CHEMBL3229.csv
@@ -0,0 +1,551 @@
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL15848,5.52
+CCCCCCCCCC(=O)C(F)(F)F,CHEMBL90258,6.89
+CCCCCCCC/C=C\CCCCCCCC(=O)C(F)(F)F,CHEMBL422064,7.093
+CCCCCCc1cccc(CCCCCCC(=O)C(F)(F)F)c1,CHEMBL330520,6.85
+O=C(CCCCCc1ccccc1)C(F)(F)F,CHEMBL413727,6.77
+CCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F,CHEMBL329187,6.77
+CCCCc1cc2ccccc2cc1CCCC(=O)C(F)(F)F,CHEMBL91076,5.36
+CCCCOC[C@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F,CHEMBL91352,6.24
+CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F,CHEMBL89946,6.62
+CCCCCCCc1ccc(CCCCCCC(=O)C(F)(F)F)cc1,CHEMBL91077,7.02
+CCCCCCCCc1ccccc1CCCCCCCC(=O)C(F)(F)F,CHEMBL446934,6.49
+CCCCCCc1ccccc1CCCCCC(=O)C(F)(F)F,CHEMBL91592,5.55
+CCCCCCCCCCCC(=O)C(F)(F)F,CHEMBL90308,6.85
+CCCCCCC(=O)C(F)(F)F,CHEMBL90719,4.97
+CCCCOC[C@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F,CHEMBL93880,6.11
+CCCCOC[C@@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F,CHEMBL328734,6.36
+CCCCOC[C@@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F,CHEMBL420429,5.92
+O=C(CCCCCCCc1ccccc1)C(F)(F)F,CHEMBL91417,7.6
+O=C(CCCCCCc1ccccc1)C(F)(F)F,CHEMBL91416,7.0
+CCCCCCCCCCCCCC(=O)C(F)(F)F,CHEMBL89508,6.31
+CCCCCCCC(=O)C(F)(F)F,CHEMBL93675,5.92
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)OCCO,CHEMBL58071,5.68
+CCCCCC(=O)C(F)(F)F,CHEMBL92681,4.57
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ccccc2o1,CHEMBL285678,6.528
+CCCCCCCC/C=C\CCCCCCCC(O)c1nc2ncccc2o1,CHEMBL36990,5.74
+CCCCCCCC/C=C\CCCCCCC/C(=N/OC)c1nc2ncccc2o1,CHEMBL290997,5.35
+CCCCCCCC/C=C\CCCCCCC(C)C(=O)c1nc2ccccc2o1,CHEMBL40025,5.7
+CCCCCCCC/C=C\CCCCCCC/C(=N/O)c1nc2ncccc2o1,CHEMBL37585,5.82
+CCCCCCCC/C=C\CCCCCCC/C(=N/N(C)C)c1nc2ncccc2o1,CHEMBL39306,6.26
+CCCCCCCC/C=C\CCCCCCC(C)C(=O)c1nc2cccnc2o1,CHEMBL36614,8.04
+CCCCCCCC/C=C\CCCCCCC(C)C(=O)c1ncco1,CHEMBL37044,5.85
+CCCCCCCC/C=C\CCCCCCC(C)(C)C(=O)c1ncco1,CHEMBL36655,4.85
+CCCCCCCC/C=C\CCCCCCC(C)(C)C(=O)c1nc2ccccc2o1,CHEMBL418242,4.43
+O=C(CCCCCc1ccccc1)c1nc2ncccc2o1,CHEMBL175854,9.7
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(C)c(C)o1,CHEMBL173881,5.42
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccccc2)o1,CHEMBL426410,6.49
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ccccc2)co1,CHEMBL177471,6.31
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL426230,7.74
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ccccn2)co1,CHEMBL366671,7.51
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2cccnc2)o1,CHEMBL369547,7.21
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2cccnc2)co1,CHEMBL176070,7.39
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccncc2)o1,CHEMBL176828,7.25
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ccncc2)co1,CHEMBL177488,7.11
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2cccnn2)o1,CHEMBL174917,7.85
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ccncn2)co1,CHEMBL177226,7.8
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2cnccn2)o1,CHEMBL362061,7.74
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ncccn2)co1,CHEMBL174052,7.8
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2cccn2C)o1,CHEMBL177714,5.07
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccco2)o1,CHEMBL174048,7.27
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2nccn2C)o1,CHEMBL176166,7.33
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2nccs2)o1,CHEMBL177686,7.8
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ncco2)o1,CHEMBL175833,7.92
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccsc2)o1,CHEMBL177925,4.88
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2ccoc2)o1,CHEMBL174396,6.21
+CCCCCCCCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL174905,7.23
+CCCCCCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL175694,7.68
+CCCCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL175695,7.89
+CCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL177757,8.66
+CCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL367009,8.48
+CCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL175950,8.05
+CCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL177788,7.82
+CCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL175021,7.31
+CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL178381,6.77
+CCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL178432,6.03
+CCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL174951,5.52
+CCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL368845,4.96
+CCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL177681,4.32
+O=C(Cc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL361102,4.77
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1,CHEMBL367307,8.25
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccncn2)o1,CHEMBL177922,8.64
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cnccn2)o1,CHEMBL177858,8.28
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ncccn2)o1,CHEMBL368284,8.34
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cncnc2)o1,CHEMBL175761,7.66
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cccs2)o1,CHEMBL178071,7.26
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1,CHEMBL177356,7.92
+O=C(CCCCCCc1ccccc1)c1ncc(-c2nccs2)o1,CHEMBL177729,8.24
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ncco2)o1,CHEMBL176122,8.34
+CCCCCCCC/C=C\CCCCCCCC(O)c1ncc(-c2ccccn2)o1,CHEMBL177574,4.97
+CCCCCCCC/C=C\CCCCCCCCc1ncc(-c2ccccn2)o1,CHEMBL176201,4.63
+OC(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177495,5.48
+c1ccc(CCCCCCCc2ncc(-c3ccccn3)o2)cc1,CHEMBL367504,4.7
+OC(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1,CHEMBL177694,5.37
+OC(CCCCCCc1ccccc1)c1ncc(-c2ncccn2)o1,CHEMBL177669,5.23
+O=C(CCCCCc1ccccc1)c1nc2ccccc2o1,CHEMBL366907,6.66
+CCCCCCCCC#CCCCCCCCC(=O)c1nc2ncccc2o1,CHEMBL175580,9.85
+O=C(CCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177728,6.7
+O=C(CCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL425684,6.92
+O=C(CCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL368279,7.48
+O=C(CCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL366959,7.96
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177577,8.352
+O=C(CCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177708,8.12
+O=C(CCCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177216,8.11
+O=C(CCCCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL176173,8.0
+O=C(CCCCCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL175413,7.66
+CCCCCCCCC#CCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL174397,8.0
+C=CCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL426232,7.96
+C#CCCCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL176324,7.64
+C#CCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL175681,5.89
+C[Si](C)(C)C#CCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL177486,6.7
+O=C(CCCCC#Cc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL367859,7.65
+O=C(CCCC#Cc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL177245,7.68
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2)o1,CHEMBL173992,6.975
+CCCCCCCC/C=C\CCCCCCCS(=O)c1ncc(-c2ccccn2)o1,CHEMBL183621,5.1
+CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(-c2cocn2)o1,CHEMBL180896,7.92
+CCCCCCCC/C=C\CCCCCCCS(=O)c1ncc(-c2cocn2)o1,CHEMBL181395,5.66
+CCCCCCCC/C=C\CCCCCCCS(=O)c1ncc(-c2ccco2)o1,CHEMBL426968,5.1
+O=S(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL183662,4.96
+O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL183663,4.8
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1,CHEMBL181957,8.34
+c1ccc(CCCCCCSc2ncc(-c3cocn3)o2)cc1,CHEMBL183145,4.1
+O=S(CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1,CHEMBL183262,4.7
+O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1,CHEMBL182781,5.0
+O=S(CCCCCc1ccccc1)c1nc2ccccc2o1,CHEMBL359694,5.59
+O=S(=O)(CCCCCc1ccccc1)c1nc2ccccc2o1,CHEMBL183390,5.48
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2ccccn2)o1,CHEMBL178563,8.52
+CCCCCCCC/C=C\CCCCCCCS(=O)c1nnc(-c2ccccn2)o1,CHEMBL183208,4.89
+O=S(CCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL183650,5.1
+O=S(=O)(CCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL360713,5.12
+O=S(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL183490,5.31
+O=S(=O)(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL180495,5.17
+O=S(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL180842,5.15
+O=S(=O)(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL183479,5.48
+O=S(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1,CHEMBL183389,4.52
+O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1,CHEMBL183065,4.4
+NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1,CHEMBL184238,8.4
+COC(=O)CCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL229268,5.15
+COC(=O)CCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL229322,5.74
+O=C(c1ncc(-c2ccccn2)o1)C1CCCC1,CHEMBL376397,5.6
+O=C(CCl)c1ncc(-c2ccccn2)o1,CHEMBL229323,6.1
+OC(CCCCCc1ccccc1)C(O)c1ncc(-c2ccccn2)o1,CHEMBL375026,5.7
+CCCCCCc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL389212,7.82
+CCCCCCc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL226885,8.17
+CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL427285,7.72
+CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL226884,8.89
+CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL388998,7.43
+O=C(CCCCCCc1cccc(Cl)c1Cl)c1ncc(-c2ccccn2)o1,CHEMBL226883,9.05
+O=C(CCCCCCc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1,CHEMBL441879,8.57
+O=C(CCCCCCc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1,CHEMBL388599,9.05
+O=C(CCCCCCc1ccccc1Cl)c1ncc(-c2ccccn2)o1,CHEMBL227253,8.72
+COC(=O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL229591,8.82
+COC(=O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL229590,8.72
+COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL229542,9.0
+O=C(CCCCCCc1ccc(C(F)(F)F)cc1)c1ncc(-c2ccccn2)o1,CHEMBL229541,8.4
+O=C(CCCCCCc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1,CHEMBL229540,9.0
+O=C(CCCCCCc1ccccc1C(F)(F)F)c1ncc(-c2ccccn2)o1,CHEMBL390374,8.4
+O=C(CCCCCCc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccn2)o1,CHEMBL229491,8.19
+CSc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL229490,8.6
+CSc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL229489,8.38
+CSc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL389034,8.48
+O=C(CCCCCCc1ccc(F)cc1)c1ncc(-c2ccccn2)o1,CHEMBL229435,8.49
+O=C(CCCCCCc1cccc(F)c1)c1ncc(-c2ccccn2)o1,CHEMBL227116,8.66
+O=C(CCCCCCc1ccccc1F)c1ncc(-c2ccccn2)o1,CHEMBL227062,8.77
+CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL375914,8.62
+Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL227061,8.52
+Nc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL227060,7.52
+COc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL387987,8.21
+COc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL227059,8.6
+COc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL227006,8.24
+Cc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL227005,8.55
+Cc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL387986,8.48
+Cc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL227004,8.52
+O=C(CCCCCCc1cccnc1)c1ncc(-c2ccccn2)o1,CHEMBL227003,7.49
+O=C(CCCCCCc1ccccn1)c1ncc(-c2ccccn2)o1,CHEMBL226951,6.92
+O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(-c2ccccn2)o1,CHEMBL226950,7.96
+O=C(CCCCCCc1cccc2ccccc12)c1ncc(-c2ccccn2)o1,CHEMBL436982,8.59
+O=C(CCCCCCc1ccsc1)c1ncc(-c2ccccn2)o1,CHEMBL226949,8.29
+O=C(CCCCCCc1cccs1)c1ncc(-c2ccccn2)o1,CHEMBL226948,8.37
+CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL227115,8.25
+O=C(CCCCC#Cc1cccc(Cl)c1Cl)c1ncc(-c2ccccn2)o1,CHEMBL226810,8.3
+O=C(CCCCC#Cc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1,CHEMBL390150,7.7
+O=C(CCCCC#Cc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1,CHEMBL226809,8.15
+O=C(CCCCC#Cc1ccccc1Cl)c1ncc(-c2ccccn2)o1,CHEMBL226808,7.89
+COC(=O)c1ccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL226859,7.6
+COC(=O)c1cccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL427434,7.52
+COC(=O)c1ccccc1C#CCCCCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL376766,7.47
+O=C(CCCCC#Cc1ccc(C(F)(F)F)cc1)c1ncc(-c2ccccn2)o1,CHEMBL227327,7.12
+O=C(CCCCC#Cc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1,CHEMBL227274,8.0
+O=C(CCCCC#Cc1ccccc1C(F)(F)F)c1ncc(-c2ccccn2)o1,CHEMBL427431,7.8
+O=C(CCCCC#Cc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccn2)o1,CHEMBL227273,7.51
+O=C(CCCCC#Cc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccn2)o1,CHEMBL227272,8.32
+O=C(CCCCC#Cc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccn2)o1,CHEMBL375962,7.77
+O=C(CCCCC#Cc1ccc(F)cc1)c1ncc(-c2ccccn2)o1,CHEMBL441878,7.44
+O=C(CCCCC#Cc1cccc(F)c1)c1ncc(-c2ccccn2)o1,CHEMBL227220,8.49
+O=C(CCCCC#Cc1ccccc1F)c1ncc(-c2ccccn2)o1,CHEMBL227219,8.1
+CC(C)(C)OC(=O)Nc1ccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1,CHEMBL375020,7.64
+CC(C)(C)OC(=O)Nc1cccc(C#CCCCCC(=O)c2ncc(-c3ccccn3)o2)c1,CHEMBL227218,7.92
+O=C(CCCCC#Cc1ccncc1)c1ncc(-c2ccccn2)o1,CHEMBL227167,6.82
+O=C(CCCCC#Cc1cccnc1)c1ncc(-c2ccccn2)o1,CHEMBL227166,6.52
+O=C(CCCCC#Cc1ccccn1)c1ncc(-c2ccccn2)o1,CHEMBL427290,6.55
+O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1,CHEMBL410598,9.42
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL227046,9.12
+O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL387681,8.66
+O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL226992,8.49
+O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL226991,8.7
+O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL226990,8.47
+O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL226938,9.0
+O=C(COc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1,CHEMBL226937,5.68
+O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1,CHEMBL226936,7.6
+O=C(COc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL387680,5.28
+O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1,CHEMBL427424,8.89
+O=C(CCCCCC(O)c1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229266,7.46
+O=C(CCCCC(O)Cc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL376396,6.7
+O=C(CCCC(O)CCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229650,5.82
+O=C(CCC(O)CCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229649,6.3
+O=C(CC(O)CCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL390592,7.46
+O=C(c1ncc(-c2ccccn2)o1)C(O)CCCCCc1ccccc1,CHEMBL229648,8.1
+O=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1,CHEMBL229647,5.51
+O=C(CCCC(=O)c1ncc(-c2ccccn2)o1)NCc1ccccc1,CHEMBL229593,4.7
+O=C(CCCCCS(=O)(=O)c1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL387957,5.22
+O=C(CCCCCS(=O)c1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229147,6.0
+O=C(CCCCCSc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229146,8.52
+CN(CCCCCC(=O)c1ncc(-c2ccccn2)o1)c1ccccc1,CHEMBL436979,7.4
+O=C(CCCCCOc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229964,7.85
+O=C(CCCCS(=O)Cc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229485,5.6
+O=C(CCCCSCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229484,7.6
+CN(CCCCC(=O)c1ncc(-c2ccccn2)o1)Cc1ccccc1,CHEMBL388985,6.7
+O=C(CCCCOCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL229483,7.26
+CN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1,CHEMBL229482,5.46
+O=C(CCCOCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL227294,7.2
+CN(CCCc1ccccc1)CCC(=O)c1ncc(-c2ccccn2)o1,CHEMBL227293,6.7
+O=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL375267,7.05
+O=S(=O)(C=C(O)c1ncc(-c2ccccn2)o1)CCCCc1ccccc1,CHEMBL227292,4.7
+O=S(C=C(O)c1ncc(-c2ccccn2)o1)CCCCc1ccccc1,CHEMBL227291,6.0
+O=C(CSCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL375023,8.4
+O=C(COCCCCc1ccccc1)c1ncc(-c2ccccn2)o1,CHEMBL226811,7.22
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncco1,CHEMBL261172,7.8
+O=C(O)c1cc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)ccn1,CHEMBL271384,7.3
+COC(=O)c1cc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)ccn1,CHEMBL272455,8.82
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1,CHEMBL271530,8.64
+O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)cn1,CHEMBL260745,7.36
+COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)cn1,CHEMBL271745,9.22
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccnc2)o1,CHEMBL270929,8.96
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccc(-c3nn[nH]n3)n2)o1,CHEMBL406659,7.6
+N#Cc1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL411071,8.54
+NC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL272463,8.89
+NC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL272462,8.92
+O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL407714,7.85
+COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL260746,8.66
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL260747,7.66
+CCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL270281,8.52
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL270487,8.92
+CSc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL272831,8.52
+CS(=O)(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL271790,8.92
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(=O)C(F)(F)F)o1,CHEMBL408029,8.1
+CN(C)C(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL279796,8.52
+NC(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL269857,8.46
+COC(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL407061,8.82
+O=C(O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL271380,8.0
+N#Cc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1,CHEMBL272111,9.7
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1,CHEMBL272452,9.15
+O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(I)o1,CHEMBL407546,8.4
+O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2cccc(-c3nn[nH]n3)n2)o1,CHEMBL271382,7.68
+N#Cc1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1,CHEMBL405880,9.25
+O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)nc1,CHEMBL260534,8.34
+COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)nc1,CHEMBL260536,8.46
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1,CHEMBL260535,8.21
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1,CHEMBL270720,8.7
+CN(C)C(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL270930,8.17
+CNC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL405823,8.44
+NC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL272428,8.35
+COC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL271390,8.8
+O=C(O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL271389,7.66
+N#Cc1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1,CHEMBL258820,9.3
+O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(C(F)(F)F)o1,CHEMBL405604,9.1
+O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(I)o1,CHEMBL272829,8.4
+O=C(CCc1ccc(COc2ccccc2)cc1)c1ncco1,CHEMBL272830,7.6
+O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1,CHEMBL412111,7.48
+COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1,CHEMBL271788,7.27
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1,CHEMBL271789,7.19
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1,CHEMBL411042,7.89
+CN(C)C(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL270701,8.27
+CNC(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL405605,7.96
+NC(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL270108,8.18
+COC(=O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL272227,8.77
+O=C(O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL272228,7.39
+N#Cc1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1,CHEMBL272038,9.1
+O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(C(F)(F)F)o1,CHEMBL271792,8.7
+O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(I)o1,CHEMBL415102,8.0
+O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncco1,CHEMBL441735,7.11
+O=C(CCc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)c1ncco1,CHEMBL271383,7.6
+NC(=O)c1ccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL270267,4.52
+NC(=O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL270774,5.4
+NC(=O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL273075,4.7
+O=C(O)c1ccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL272257,4.7
+O=C(O)c1ccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL270699,5.0
+COC(=O)c1ccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL270700,4.3
+COC(=O)c1ccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)nc1,CHEMBL269900,5.96
+O=C(O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL269901,5.0
+O=C(O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL269902,5.96
+COC(=O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL271791,5.15
+COC(=O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL271793,5.05
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1,CHEMBL536559,4.96
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(CCC(=O)c3ncc(-c4cccc(C(=O)O)n4)o3)cc2)CC1,CHEMBL270068,6.92
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1,CHEMBL536332,5.35
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)o2)n1,CHEMBL412117,7.49
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCC5)cc4)cc3)o2)n1,CHEMBL269861,6.89
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)o2)n1,CHEMBL272232,7.36
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)o2)n1,CHEMBL410933,7.55
+O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1,CHEMBL271325,6.82
+CN1CCN(Cc2ccc(-c3ccc(CCC(=O)c4ncc(-c5cccc(C(=O)O)n5)o4)cc3)cc2)CC1,CHEMBL410301,5.92
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN(C)C)cc4)cc3)o2)n1,CHEMBL271529,7.54
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCC5)cc4)cc3)o2)n1,CHEMBL270706,7.74
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)o2)n1,CHEMBL412118,8.05
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)o2)n1,CHEMBL270916,8.3
+COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1,CHEMBL271209,7.51
+O=C(CCCCCCc1ccccc1)c1ncco1,CHEMBL220125,7.32
+N#Cc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL220770,9.4
+O=C(O)c1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL220729,7.52
+O=C(O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)n1,CHEMBL219942,7.843
+CCCCC(=O)c1nc2ncccc2o1,CHEMBL402740,7.3
+O=C(CCCc1ccccc1)c1nc2ncccc2o1,CHEMBL257638,8.16
+CCCCCCCC(=O)c1nc2ncccc2o1,CHEMBL257305,9.16
+CCCCCCCCCCCC(=O)c1nc2ncccc2o1,CHEMBL257307,9.24
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)c1nc2ncccc2o1,CHEMBL371831,9.0
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[n+]1ccccn1,CHEMBL402249,7.33
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ccncc2o1,CHEMBL272770,8.43
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnnn1C,CHEMBL402875,5.43
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnn(C)n1,CHEMBL267284,7.19
+CCCCCCCC/C=C\CCCCCCCC(=O)c1cccnn1,CHEMBL405089,6.89
+O=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL361529,9.08
+O=C(CCCCCCc1ccccc1)c1nnc(-c2ccco2)o1,CHEMBL426967,9.25
+O=C(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1,CHEMBL178398,9.54
+O=C(CCCCCCc1ccccc1)c1nnc(-c2ccccc2)o1,CHEMBL178115,8.68
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2ccccc2)o1,CHEMBL362705,7.8
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnco1,CHEMBL178791,7.05
+CCCCCCCCCC/C=C\CCCCCCC(=O)c1ncc(-c2cccnn2)o1,CHEMBL272293,7.85
+Cc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL220938,7.1
+Cc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1,CHEMBL219658,9.22
+O=C(CCCCCCc1ccccc1)c1ncc(C(F)(F)F)o1,CHEMBL373606,9.1
+O=C(CCCCCCc1ccccc1)c1ncc(F)o1,CHEMBL373906,7.52
+COc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1,CHEMBL220629,9.1
+O=C(CCc1ccc(-c2ccccc2)cc1)c1nc(-c2ccccn2)co1,CHEMBL255116,9.12
+COC(=O)c1cccnc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL220612,6.89
+CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1,CHEMBL509860,7.92
+COC(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL220784,9.05
+O=C(CCCCCCc1ccccc1)c1cnc(-c2ccccn2)o1,CHEMBL467383,4.66
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2ccco2)s1,CHEMBL513322,6.82
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2ccccn2)s1,CHEMBL467364,7.7
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nncs1,CHEMBL467354,6.77
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2cccs2)o1,CHEMBL467353,8.1
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2ccco2)o1,CHEMBL467161,8.3
+Cn1nc(-c2ccccn2)nc1C(=O)CCCCCCc1ccccc1,CHEMBL466966,4.52
+Cn1nnnc1C(=O)CCCCCCc1ccccc1,CHEMBL452886,7.74
+Cn1nnc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL467141,8.0
+Cn1c(C(=O)CCCCCCc2ccccc2)nnc1-c1ccccn1,CHEMBL466967,4.52
+Cn1nc(C(=O)CCCCCCc2ccccc2)nc1-c1ccccn1,CHEMBL513138,5.14
+O=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccc(Br)n2)o1,CHEMBL511436,8.44
+O=C(O)c1cccc(-c2nnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL469268,7.32
+COC(=O)c1cccc(-c2nnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1,CHEMBL512104,8.8
+O=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccccn2)o1,CHEMBL468226,9.52
+N#Cc1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1,CHEMBL467182,6.41
+O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)s1,CHEMBL467173,7.43
+N#Cc1cccc(-c2noc(C(=O)CCCCCCc3ccccc3)n2)n1,CHEMBL469241,9.42
+O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(I)n2)no1,CHEMBL502051,9.0
+O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(Br)n2)no1,CHEMBL513534,9.2
+O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(Cl)n2)no1,CHEMBL513358,9.0
+O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)o1,CHEMBL468357,9.1
+COC(=O)c1nnc(C(=O)CCCCCCc2ccccc2)s1,CHEMBL450158,9.0
+COC(=O)c1nc(C(=O)CCCCCCc2ccccc2)no1,CHEMBL468189,8.15
+c1ccc(CCCCCCCc2nnc(-c3ccco3)o2)cc1,CHEMBL468772,4.74
+c1ccc(CCCCCCCc2nnc(-c3ccccn3)o2)cc1,CHEMBL467371,4.22
+O=C(O)c1cccc(-c2nc(C(=O)CCCCCCc3ccccc3)no2)n1,CHEMBL468220,7.28
+O=C(CCCCCCc1ccccc1)c1noc(-c2ccccn2)n1,CHEMBL469051,8.96
+O=C(O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)o2)n1,CHEMBL461163,7.85
+COC(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)n1,CHEMBL219880,8.1
+COC(=O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)o2)n1,CHEMBL467817,8.52
+O=C(CCCCCCc1ccccc1)c1nnc(-c2cccs2)o1,CHEMBL467816,9.1
+O=C(CCCCCCc1ccccc1)c1nnco1,CHEMBL467796,9.0
+O=C(O)c1cccc(-c2noc(C(=O)CCCCCCc3ccccc3)n2)n1,CHEMBL466961,7.89
+COC(=O)c1cccc(-c2noc(C(=O)CCCCCCc3ccccc3)n2)n1,CHEMBL512965,8.52
+O=C(CCCCCCc1ccccc1)c1ncno1,CHEMBL448922,9.0
+O=C(O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1,CHEMBL515490,6.44
+COC(=O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1,CHEMBL478187,6.96
+O=C(CCCCCCc1ccccc1)c1ccc(-c2ccccn2)nn1,CHEMBL476512,7.6
+O=C(CCCCCCc1ccccc1)c1cccnn1,CHEMBL455556,6.85
+O=C(O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)s2)n1,CHEMBL504330,8.6
+COC(=O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)s2)n1,CHEMBL476511,8.11
+O=C(CCCCCCc1ccccc1)c1nncs1,CHEMBL477371,8.85
+O=C(O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)s2)n1,CHEMBL477167,5.0
+COC(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)s2)n1,CHEMBL478424,6.3
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)s1,CHEMBL468222,7.62
+O=C(CCCCCCc1ccccc1)c1nccs1,CHEMBL468221,6.1
+O=C(CCCCCCc1ccccc1)c1ncon1,CHEMBL469050,8.15
+COC(=O)c1cccc(-c2nc(C(=O)CCCCCCc3ccccc3)no2)n1,CHEMBL512107,8.15
+O=C(CCCCCCc1ccccc1)c1nnn(-c2ccccc2)n1,CHEMBL467140,7.8
+O=C(CCCCCCc1ccccc1)c1nnn(-c2cccs2)n1,CHEMBL511422,8.07
+O=C(CCCCCCc1ccccc1)c1nnn(-c2ccco2)n1,CHEMBL468585,8.3
+O=C(CCCCCCc1ccccc1)c1ccc(-c2cccs2)nn1,CHEMBL478186,7.34
+O=C(CCCCCCc1ccccc1)c1ccc(-c2ccco2)nn1,CHEMBL503109,7.4
+O=C(CCCCCCc1ccccc1)c1nnc(-c2cccs2)s1,CHEMBL445514,7.57
+O=C(CCCCCCc1ccccc1)c1nnc(-c2ccco2)s1,CHEMBL517352,8.13
+O=C(CCCCCCc1ccccc1)c1ncc(-c2cccs2)s1,CHEMBL512816,5.7
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)s1,CHEMBL469252,5.82
+O=C(CCCCCCc1ccccc1)c1noc(-c2cccs2)n1,CHEMBL469056,7.36
+O=C(CCCCCCc1ccccc1)c1noc(-c2ccco2)n1,CHEMBL504091,8.07
+O=C(CCCCCCc1ccccc1)c1nc(-c2cccs2)no1,CHEMBL466954,8.8
+O=C(CCCCCCc1ccccc1)c1nc(-c2ccco2)no1,CHEMBL469199,9.0
+O=C(CCCCCCc1ccccc1)c1nc(Br)co1,CHEMBL448688,8.52
+O=C(CCCCCCc1ccccc1)c1nc(Cl)co1,CHEMBL462432,8.4
+O=C(CCCCCCc1ccccc1)c1nc(I)co1,CHEMBL462302,8.19
+Cc1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL462405,6.28
+CSc1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL461363,7.54
+O=Cc1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL461315,7.26
+O=C(CCCCCCc1ccccc1)c1nc(C(=O)C(F)(F)F)co1,CHEMBL461364,6.33
+COC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL461539,8.47
+O=C(CCCCCCc1ccccc1)c1nc(-c2ccccn2)co1,CHEMBL461541,8.72
+O=C(CCCCCCc1ccccc1)c1nc(-c2cccnc2)co1,CHEMBL462411,7.74
+O=C(CCCCCCc1ccccc1)c1nc(-c2ccncc2)co1,CHEMBL513787,8.8
+O=C(CCCCCCc1ccccc1)c1nc(-c2ccccc2)co1,CHEMBL460316,7.19
+O=C(O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL460317,7.28
+NC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL460492,8.8
+CNC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL460493,8.74
+CN(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL462589,7.46
+N#Cc1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL462423,9.3
+O=C(CCCCCCc1ccccc1)c1nc(C(F)(F)F)co1,CHEMBL461544,8.43
+COc1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL526161,6.13
+CC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1,CHEMBL461543,8.7
+O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1,CHEMBL513789,7.48
+Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1F,CHEMBL232782,8.7
+CC(=O)Nc1ccc(OC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1,CHEMBL597562,6.72
+CC(=O)Nc1ccc(OC(=O)C(C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1,CHEMBL599617,6.8
+O=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1,CHEMBL1765831,8.36
+O=C(O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1,CHEMBL1765833,7.6
+CCCCCCCC/C=C\CCCCCCCC(=O)C1=NCCO1,CHEMBL1812589,5.35
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2cnccc2o1,CHEMBL1812590,8.14
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2cccnc2o1,CHEMBL1812591,7.96
+CSCCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125297,8.163
+O=C(CCCCCCc1ccccc1)c1ncc(CCCCCBr)o1,CHEMBL3125296,8.218
+N#CCCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125293,8.37
+CSC(=O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125291,8.795
+N#C/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125312,8.607000000000001
+N#CCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125307,9.118
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(CCl)cn2)o1,CHEMBL3125305,7.645
+COC(=N)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125301,8.09
+CSC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125298,8.712
+CSC(=O)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125309,8.43
+N#Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125300,7.937
+O=Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125299,8.68
+O=C(CCCCCCc1ccccc1)c1ncc(CCCCCCl)o1,CHEMBL3124944,8.28
+O=C(CCCCCCc1ccccc1)c1ncc(CCCCCO)o1,CHEMBL3125295,8.0
+COCOCCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125294,7.62
+O=CCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125292,7.84
+O=C(O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125290,7.62
+COC(=O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1,CHEMBL3125289,8.74
+O=C(O)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125308,8.4
+CSCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125306,7.95
+O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(CO)cn2)o1,CHEMBL3125303,8.49
+COCOCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL3125302,8.0
+O=C(O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL219953,8.09
+COC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1,CHEMBL374708,8.51
+O=C(c1ncco1)[C@H]1COc2cc(-c3ccccc3)ccc2C1,CHEMBL3264464,7.7
+O=C(c1ncco1)[C@@H]1COc2cc(-c3ccccc3)ccc2C1,CHEMBL3264465,7.49
+O=C(c1ncc(-c2ccccn2)o1)[C@H]1COc2cc(-c3ccccc3)ccc2C1,CHEMBL3264466,7.64
+O=C(c1ncc(-c2ccccn2)o1)[C@@H]1COc2cc(-c3ccccc3)ccc2C1,CHEMBL3264467,7.96
+O=C(c1ncco1)[C@H]1COc2cc(OCc3ccccc3)ccc2C1,CHEMBL3264468,7.7
+O=C(c1ncco1)[C@@H]1COc2cc(OCc3ccccc3)ccc2C1,CHEMBL3264469,7.8
+O=C(c1ncc(-c2ccccn2)o1)[C@H]1COc2cc(OCc3ccccc3)ccc2C1,CHEMBL3264470,7.74
+O=C(c1ncc(-c2ccccn2)o1)[C@@H]1COc2cc(OCc3ccccc3)ccc2C1,CHEMBL3264471,7.77
+O=C(c1ncco1)C1COc2cc(Oc3ccccc3)ccc2C1,CHEMBL3264472,7.48
+O=C(c1ncc(-c2ccccn2)o1)[C@H]1COc2cc(Oc3ccccc3)ccc2C1,CHEMBL3264473,7.74
+O=C(c1ncc(-c2ccccn2)o1)[C@@H]1COc2cc(Oc3ccccc3)ccc2C1,CHEMBL3264474,7.57
+COC(=O)c1cccc(-c2cnc(C(=O)[C@H]3COc4cc(Oc5ccccc5)ccc4C3)o2)n1,CHEMBL3264475,7.39
+COC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3COc4cc(Oc5ccccc5)ccc4C3)o2)n1,CHEMBL3264476,6.48
+O=C(c1ncc(I)o1)[C@H]1COc2cc(Oc3ccccc3)ccc2C1,CHEMBL3264477,7.7
+O=C(c1ncc(I)o1)[C@@H]1COc2cc(Oc3ccccc3)ccc2C1,CHEMBL3264478,7.51
+O=C(c1ncc(-c2ccccn2)o1)C1COc2cc(OCc3ccccc3)ccc2C1,CHEMBL3264479,7.77
+O=C(c1ncco1)C1CCc2cc(Oc3ccccc3)ccc2O1,CHEMBL3264460,7.64
+COC(=O)c1cccc(-c2cnc(C(=O)C3CCc4cc(Oc5ccccc5)ccc4O3)o2)n1,CHEMBL3264463,6.855
+O=C(N1CCCCC1)n1cccn1,CHEMBL3318588,6.12
+CC(C)(C)OC(=O)N1CCN(C(=O)n2cccn2)CC1,CHEMBL3318591,6.47
+N#Cc1cnn(C(=O)N2CCCCC2)c1,CHEMBL3318590,7.1
+Cc1cnn(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CHEMBL3318592,6.07
+CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(C#N)cn2)CC1,CHEMBL3318593,7.26
+O=C(N1CCN(Cc2ccccc2)CC1)n1cccn1,CHEMBL3318600,6.74
+Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1,CHEMBL3318601,6.6
+N#Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1,CHEMBL3318602,7.12
+O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1,CHEMBL3318611,8.0
+Cc1cnn(C(=O)N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1,CHEMBL3318612,7.0
+N#Cc1cnn(C(=O)N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1,CHEMBL3318613,9.8
+O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1,CHEMBL3318608,7.92
+Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1,CHEMBL3318609,6.77
+N#Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1,CHEMBL3318617,9.72
+O=C(NCCCCc1ccccc1)n1cccn1,CHEMBL3318618,6.54
+Cc1cnn(C(=O)NCCCCc2ccccc2)c1,CHEMBL3318619,6.26
+N#Cc1cnn(C(=O)NCCCCc2ccccc2)c1,CHEMBL3318620,7.38
+O=C(OCCCCc1ccccc1)n1cccn1,CHEMBL3318621,6.15
+N#Cc1cnn(C(=O)OCCCCc2ccccc2)c1,CHEMBL3318623,6.68
+O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1,CHEMBL3318603,8.01
+Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1,CHEMBL3318604,6.89
+N#Cc1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1,CHEMBL3318605,9.8
+O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(Br)cn1,CHEMBL3318606,9.33
+O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(I)cn1,CHEMBL3318607,9.54
+COC(=O)c1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1,CHEMBL3318610,9.44
+O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cccn1,CHEMBL3318614,8.04
+Cc1cnn(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1,CHEMBL3318615,6.68
+N#Cc1cnn(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1,CHEMBL3318616,10.0
+O=S(=O)(Cl)CCCCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL3683981,4.9
+O=S(=O)(Cl)CCCCCCCc1cccc(OCc2ccccc2)c1,CHEMBL3683932,5.54
+O=S(=O)(Cl)CCCCCCCc1ccccc1OCc1ccccc1,CHEMBL3683933,6.39
+O=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL2180830,7.41
+O=S(=O)(F)CCCCCCCc1cccc(OCc2ccccc2)c1,CHEMBL2180831,7.375
+O=S(=O)(F)CCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL2180817,7.82
+O=S(=O)(F)CCCCCCCc1ccc(O)cc1,CHEMBL2180818,7.64
+O=S(=O)(F)CCCCCCCc1cccc(O)c1,CHEMBL2180819,7.59
+O=S(=O)(F)CCCCCCCc1ccccc1O,CHEMBL2180820,7.89
+O=S(=O)(F)CCCCCc1ccc(O)cc1,CHEMBL2180821,7.51
+O=S(=O)(Cl)CCCCOc1ccccc1,CHEMBL3683957,4.9
+O=S(=O)(F)CCCCOc1ccccc1,CHEMBL3683958,7.28
+CS(=O)(=O)CCCCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL3683959,7.11
+O=C(CCCOc1ccc(OCc2ccccc2)cc1)C(F)(F)F,CHEMBL3683960,6.82
+O=C(CCCCOc1ccc(OCc2ccccc2)cc1)C(F)(F)F,CHEMBL3683961,5.92
+O=C(CCCCCOc1ccc(OCc2ccccc2)cc1)C(F)(F)F,CHEMBL3683962,6.49
+O=C(CCCOc1cccc(OCc2ccccc2)c1)C(F)(F)F,CHEMBL3639828,6.11
+O=C(CCCCOc1cccc(OCc2ccccc2)c1)C(F)(F)F,CHEMBL3683963,6.33
+O=C(CCCCCOc1cccc(OCc2ccccc2)c1)C(F)(F)F,CHEMBL3683964,7.28
+O=C(CCCOc1ccccc1OCc1ccccc1)C(F)(F)F,CHEMBL3683965,5.64
+O=C(CCCCOc1ccccc1OCc1ccccc1)C(F)(F)F,CHEMBL3683966,7.34
+O=C(CCCCCOc1ccccc1OCc1ccccc1)C(F)(F)F,CHEMBL3683967,6.26
+O=C(CCCCOc1ccccc1)C(F)(F)F,CHEMBL3683969,5.615
+O=C(CCCOc1ccc(O)cc1)C(F)(F)F,CHEMBL3683970,5.77
+O=C(CCCCOc1ccc(O)cc1)C(F)(F)F,CHEMBL3683971,5.59
+O=C(CCCCCOc1ccc(O)cc1)C(F)(F)F,CHEMBL3683972,6.1
+O=C(CCCCCCOc1ccc(O)cc1)C(F)(F)F,CHEMBL3683973,7.27
+Oc1cccc(OCCCC(O)(O)C(F)(F)F)c1,CHEMBL3683974,5.6
+O=C(CCCCOc1cccc(O)c1)C(F)(F)F,CHEMBL3683975,5.68
+O=C(CCCCCOc1cccc(O)c1)C(F)(F)F,CHEMBL3683976,6.36
+O=C(CCCOc1ccccc1O)C(F)(F)F,CHEMBL3683977,4.82
+O=C(CCCCOc1ccccc1O)C(F)(F)F,CHEMBL3683978,5.8
+O=C(CCCCCOc1ccccc1O)C(F)(F)F,CHEMBL3683979,5.74
+O=C(CCCCCOc1ccccc1)C(F)(F)F,CHEMBL3683980,5.91
+COc1ccc(CCCCC(=O)C(F)(F)F)cc1,CHEMBL2420366,6.22
+CCOC(=O)Nc1ccc(Br)cc1,CHEMBL3683934,5.92
+Cc1nnc(C(=O)COc2ccc(OCc3ccccc3)cc2)o1,CHEMBL3683935,8.1
+Cc1nnc(C(=O)COc2ccc(O)cc2)o1,CHEMBL3683936,8.22
+O=C(CCOc1ccccc1)c1nnc(COCc2ccccc2)o1,CHEMBL3683937,8.7
+O=C(CCOc1ccc(OCc2ccccc2)cc1)c1nnc(COCc2ccccc2)o1,CHEMBL3683938,8.7
+O=C(CCOc1ccccc1)c1nnc(CO)o1,CHEMBL3683939,9.0
+O=C(CCOc1ccc(O)cc1)c1nnc(COCc2ccccc2)o1,CHEMBL3683940,8.52
+O=C1c2ccccc2S(=O)(=O)N1COc1ccc(O)cc1,CHEMBL3683943,6.05
+CCOC(=O)C(=O)CCCCCOc1ccccc1,CHEMBL3683944,7.05
+CC(=O)C(F)(F)CCCCOc1cccc(OCc2ccccc2)c1,CHEMBL3683945,7.1
+CC(=O)C(F)(F)CCCCCOc1ccccc1,CHEMBL3683946,7.15
+Cc1nnc(C(=O)C(F)(F)CCCCCCOc2ccccc2)o1,CHEMBL3683947,8.05
+O=C(c1ccccn1)C(F)(F)CCCCOc1ccccc1,CHEMBL3683948,7.62
+OC(O)(c1ccccn1)C(F)(F)CCCCOc1ccccc1,CHEMBL3683949,7.92
+O=C(c1cccnc1)C(F)(F)CCCCOc1ccccc1,CHEMBL3683950,7.28
+O=C(c1cccnc1)C(F)(F)CCCCOc1cccc(OCc2ccccc2)c1,CHEMBL3683951,8.15
+Cc1nnc(C(=O)C(F)(F)CCCCOc2ccccc2)o1,CHEMBL3683952,7.0
+CCOC(=O)C(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3683954,5.34
+Cc1nnc(C(=O)C(F)(F)c2ccc(-c3ccccc3)cc2)o1,CHEMBL3683955,7.19
+Cc1nnc(C(=O)C(F)(F)c2ccc(Br)cc2)o1,CHEMBL3683956,6.28
diff --git a/chembl_200/CHEMBL3231.csv b/chembl_200/CHEMBL3231.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0fbb1c2fcbd9cb7eecfbb8644a521597b63d9fa0
--- /dev/null
+++ b/chembl_200/CHEMBL3231.csv
@@ -0,0 +1,545 @@
+C[C@@H](N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL536267,6.85
+Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,CHEMBL406821,8.22
+Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL583042,5.85
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.4
+CCn1c(-c2nonc2N)nc2ccccc21,CHEMBL365286,6.48
+CC(C)n1c(-c2nonc2N)nc2ccccc21,CHEMBL1079208,5.72
+Nc1nonc1-c1nc2ccccc2n1C1CC1,CHEMBL1079293,6.35
+Nc1nonc1-c1nc2ccccc2n1C1CCC1,CHEMBL1079294,6.74
+Nc1nonc1-c1nc2ccccc2n1C1CCCC1,CHEMBL1079295,6.47
+Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,CHEMBL1078929,6.14
+Nc1nonc1-c1nc2ccccc2n1CC1CC1,CHEMBL1078930,6.44
+Nc1nonc1-c1nc2ccccc2n1CC1CCC1,CHEMBL1078820,6.18
+CC(C)Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1079040,6.03
+Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,CHEMBL1078426,6.23
+N#Cc1ccccc1-n1c(-c2nonc2N)nc2ccccc21,CHEMBL1078427,6.09
+COc1ccccc1-n1c(-c2nonc2N)nc2ccccc21,CHEMBL1078539,5.89
+COc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1,CHEMBL1078245,5.68
+Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1,CHEMBL1079032,5.66
+Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080071,7.07
+COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080072,6.03
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,7.4
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.7
+Nc1nccc2cc(CNCCc3ccccc3)ccc12,CHEMBL1643361,7.2
+Nc1nccc2cc(O[C@H]3CCCNC3)ccc12,CHEMBL1643368,7.43
+O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12,CHEMBL1667967,8.6
+Nc1nccc2c(S(=O)(=O)N3CCCNCC3)cccc12,CHEMBL1667963,7.46
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.6
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.9
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.9
+CC(C)(C)CCOc1cc(-c2ccc(C(N)=O)cc2)cc2n[nH]c(N)c12,CHEMBL2001398,6.2
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.1
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.6
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.1
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.3
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.1
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.8
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.4
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.5
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,8.3
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,6.1
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.8
+CC1(C)CC(=O)C2Sc3ccc(Cl)cc3N=C2C1,CHEMBL1562756,5.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.6
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,7.4
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,8.1
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.5
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.3
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.1
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.9
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.3
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.0
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.2
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.5
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.6
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.1
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,6.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.2
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,8.2
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.3
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.6
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.4
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.7
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.9
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.6
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.2
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.5
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.85
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,5.4
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.6
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.5
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,6.2
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,7.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.6
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,5.7
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.6
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.4
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,6.3
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,6.4
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.3
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.3
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.3
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.6
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,7.5
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,6.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.6
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,8.1
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.7
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.9
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,6.8
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.8
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.5
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,4.7
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.9
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.0
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.8
+CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1,CHEMBL1890036,5.2
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.3
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.5
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,6.0
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,CHEMBL1971606,9.1
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.2
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.5
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.9
+NCCOc1cccc(Nc2ccnc(N)n2)c1,CHEMBL1995448,6.1
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.1
+NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,CHEMBL1090090,5.6
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,6.4
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,6.0
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,5.9
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,6.3
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.4
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.2
+Cc1ccccc1-c1cccc2nccn12,CHEMBL1980003,4.2
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,6.0
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.7
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,6.4
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.3
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,7.6
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,6.0
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.1
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,7.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.1
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.5
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.3
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,6.5
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,6.5
+Cc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1,CHEMBL1986869,7.0
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,5.5
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.8
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.2
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,5.3
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,6.6
+COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1,CHEMBL1998110,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.7
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,7.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,6.9
+O=C(NCc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1,CHEMBL1970709,6.4
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,6.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.9
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.5
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.5
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.1
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.8
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.9
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,7.3
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.5
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.5
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,7.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.7
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.8
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.4
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.4
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.8
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.5
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,7.0
+Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1,CHEMBL1990223,5.5
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.4
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.3
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.6
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.5
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.0
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.4
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.2
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.7
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,7.0
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.3
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.2
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,6.3
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,5.7
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.4
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,5.8
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.4
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,6.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,6.0
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,5.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,8.5
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.4
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,7.1
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.0
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.9
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.5
+Cn1c(N)nc2sc(C(N)=O)cc21,CHEMBL2002802,4.4
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.9
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,5.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.6
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.0
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.3
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.9
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.7
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.9
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.8
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.5
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.9
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.1
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.7
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.3
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.1
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.1
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,8.2
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,7.2
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.7
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.8
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.9
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.2
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,5.7
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,7.4
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.9
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,8.9
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.9
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,8.5
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,6.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.1
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,5.7
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.1
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,5.7
+CCOCC(C)Oc1cccc2n[nH]c(N)c12,CHEMBL2002736,5.8
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.5
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.4
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.9
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.5
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.5
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.9
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,6.5
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.2
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,9.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.4
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,6.6
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.3
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.9
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.7
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,6.1
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,6.8
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,7.1
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,7.3
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.1
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,7.3
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.9
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.7
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.2
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,5.6
+O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1,CHEMBL1992555,6.3
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,8.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.1
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.3
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,7.8
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,6.8
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.3
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.5
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.1
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.8
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,5.1
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,6.6
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.6
+Nc1nonc1-n1cc(CO)nn1,CHEMBL1991251,4.4
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.4
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,6.8
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.0
+COc1ccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)cc1,CHEMBL1992536,6.3
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,6.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,8.9
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,7.4
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.7
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.7
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.0
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.8
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,6.0
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.3
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,6.0
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.0
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.7
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.2
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,8.4
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,7.0
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.5
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,5.1
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,5.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.7
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.1
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,7.8
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.7
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.9
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.4
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.4
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,6.8
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.0
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.5
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.5
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.8
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.3
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.8
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,7.1
+COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2006299,8.5
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,5.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.4
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.4
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1,CHEMBL1991577,6.4
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.2
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.5
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,6.1
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.0
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.2
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,7.5
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,8.1
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.8
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.3
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.8
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,6.4
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,8.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.7
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.4
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,7.6
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.4
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,6.1
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.9
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.6
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.4
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,6.8
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,5.4
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,6.6
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,6.2
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,6.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,6.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,6.7
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,5.3
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.9
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.2
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.3
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.8
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2003514,8.4
+O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,5.1
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,6.7
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.7
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.3
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.3
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.5
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.3
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.8
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,6.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.6
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.0
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.3
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,7.5
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,7.0
+O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,8.2
+Nc1ncnc2sccc12,CHEMBL1972934,4.5
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,7.2
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,6.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.1
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.7
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.1
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.0
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.2
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.6
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.7
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,7.0
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.8
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.3
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,7.6
+COc1cccc(CNC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2004159,7.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.7
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.3
+CN(C)CCCCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2001451,5.8
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.7
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,7.6
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.8
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.6
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.2
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.3
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.8
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,8.4
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,6.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,5.9
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.3
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,7.9
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.8
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.6
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.9
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.0
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.0
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.6
+CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12,CHEMBL234085,6.6
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.3
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.5
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,5.7
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.1
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.7
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,8.1
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.7
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,5.4
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.2
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.4
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.1
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.1
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,4.7
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,7.1
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.4
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.3
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.4
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,8.6
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,7.1
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,7.0
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,7.7
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,6.2
+CS(=O)(=O)Nc1ccc(Nc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1988872,5.8
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,6.8
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.6
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.6
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.7
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,7.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.5
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,6.4
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,6.6
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,6.1
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.5
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.8
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.9
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,5.2
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,5.9
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,8.7
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.3
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,7.7
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,5.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.4
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.8
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,5.2
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,6.1
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.0
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.0
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,6.8
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,7.3
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.8
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.4
+c1ccc(C2CCc3[nH]ncc32)cc1,CHEMBL1965683,4.7
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL1968606,5.6
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.4
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.9
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.2
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.6
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.66
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581150,7.52
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581149,7.66
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1,CHEMBL3581148,7.35
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1,CHEMBL3581147,7.36
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1,CHEMBL3580669,8.0
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1,CHEMBL3581146,7.74
+COc1cccc(CC(=O)Nc2nc(-c3ccnc(Cl)c3)cs2)c1,CHEMBL3581145,6.92
+COc1cccc(CC(=O)Nc2nc(-c3ccnc(F)c3)cs2)c1,CHEMBL3581144,6.96
+CNc1cc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)ccn1,CHEMBL3581141,6.11
+COc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581140,6.77
+COc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1,CHEMBL3581139,6.68
+COc1cccc(CC(=O)Nc2cc(-c3ccncn3)cs2)c1,CHEMBL3581138,6.92
+COc1cccc(CC(=O)Nc2nnc(-c3ccncc3)s2)c1,CHEMBL3581136,5.6
+COc1cccc(CC(=O)Nc2nc(-c3ccncc3)ns2)c1,CHEMBL3581135,7.05
+COc1cccc(CC(=O)Nc2ccc(-c3ccncc3)s2)c1,CHEMBL3581134,6.85
+COc1cccc(CC(=O)Nc2csc(-c3ccncc3)c2)c1,CHEMBL3581133,7.21
+COc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1,CHEMBL3581132,8.0
+COc1cccc(CC(=O)Nc2cnc(-c3ccncc3)s2)c1,CHEMBL3581131,6.31
+COc1cccc(CC(=O)Nc2csc(-c3ccncc3)n2)c1,CHEMBL3581130,6.28
+COc1cccc(C2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1,CHEMBL3581129,7.77
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3581128,7.59
+Nc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3581127,6.46
+O=C(Cc1ccc2c(c1Cl)OCO2)Nc1nc(-c2ccncc2)cs1,CHEMBL3581126,8.15
+O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccncc2)cs1,CHEMBL3581125,7.0
+O=C(Cc1ccc(O)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581124,7.15
+O=C(Cc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581123,7.55
+O=C(Cc1ccccc1O)Nc1nc(-c2ccncc2)cs1,CHEMBL3581122,6.05
+COc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1,CHEMBL1427910,6.27
+COc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3581121,7.0
+O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581119,7.09
+O=C(Cc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581118,6.92
+O=C(Cc1ccccc1F)Nc1nc(-c2ccncc2)cs1,CHEMBL3581117,6.89
+O=C(Cc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581116,6.77
+O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1F,CHEMBL3581115,5.96
diff --git a/chembl_200/CHEMBL324.csv b/chembl_200/CHEMBL324.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d33995bb8adcf6bb18bed65a359333f6187ac707
--- /dev/null
+++ b/chembl_200/CHEMBL324.csv
@@ -0,0 +1,473 @@
+O=C(c1ccc(F)cc1)C1CCNCC1,CHEMBL148189,5.96
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,7.3
+CN(CCCc1ccccc1)CCn1c(=O)[nH]c2ccccc2c1=O,CHEMBL1202027,5.86
+O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL1203375,6.46
+O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1,CHEMBL1202025,5.52
+O=C(c1ccc(F)cc1)C1CCN(CCCCCc2ccccc2)CC1,CHEMBL1202029,6.38
+O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL1202026,5.79
+CN1CCC(C(=O)c2ccc(F)cc2)CC1,CHEMBL147995,5.82
+O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1,CHEMBL1202028,6.7
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL1788134,6.84
+O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CHEMBL316004,6.46
+CCN1CCC(C(=O)c2ccc(F)cc2)CC1,CHEMBL147943,5.5
+O=C(c1ccc(F)cc1)C1CCN(CCCc2ccccc2)CC1,CHEMBL1202030,6.03
+O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(Cc2ccc(F)cc2)CC1,CHEMBL1202023,6.7
+O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL1788135,6.21
+NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL83080,5.8
+C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL419680,5.9
+NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL314459,6.13
+NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL315468,5.03
+COc1ccccc1N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL26533,6.65
+CC(N)Cc1c[nH]c2ccc(O)cc12,CHEMBL275854,6.82
+Cc1[nH]c2ccc(O)cc2c1CCN,CHEMBL266591,6.19
+COc1ccc2[nH]c(C)c(CCN)c2c1,CHEMBL268800,6.16
+NCCc1c[nH]c2ccc(O)cc12,CHEMBL39,7.712999999999999
+CC(N)Cc1ccc2c(c1)OCO2,CHEMBL6731,5.66
+CC(N)Cc1ccc(OC(=O)c2ccccc2)cc1,CHEMBL165125,5.92
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.3
+CCCc1ccc(CC(C)N)cc1,CHEMBL166185,5.9
+COc1cc(CC(C)N)cc(OC)c1OC,CHEMBL30336,5.24
+COc1cc(I)ccc1CC(C)N,CHEMBL161905,6.89
+COc1cc(OC)c(OC)cc1CC(C)N,CHEMBL8389,5.57
+COc1cc(C[C@@H](C)N)c(OC)cc1Br,CHEMBL69700,7.3
+COc1cc(Br)ccc1CCN,CHEMBL163985,6.66
+COc1cc(C)ccc1CC(C)N,CHEMBL166040,6.21
+COc1cc(C)ccc1CCN,CHEMBL162122,6.96
+CCCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL8569,7.85
+COc1cc(CC(C)N)c(OC)cc1C,CHEMBL8600,6.71
+COc1cc(C[C@H](C)N)c(OC)cc1Br,CHEMBL468880,7.08
+CCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL8224,7.0
+CC(N)Cc1ccc(Br)cc1,CHEMBL61355,5.83
+COc1cccc(Br)c1CC(C)N,CHEMBL162209,5.81
+COc1cc(C[C@@H](C)N)c(OC)cc1C,CHEMBL317634,7.05
+COc1ccc(CC(C)N)c(OC)c1,CHEMBL282734,5.35
+COc1cc(CC(C)N)c(OC)cc1I,CHEMBL6616,7.52
+CCOc1cc(OC)c(CC(C)N)cc1OC,CHEMBL8225,5.64
+CNC(C)Cc1ccc(C)cc1OC,CHEMBL166041,5.83
+CCCc1ccc(CC(C)NC)cc1,CHEMBL163814,5.71
+CCCCc1cc(OC)c(CC(C)N)cc1OC,CHEMBL8214,7.59
+COc1cc(Br)ccc1CC(C)N,CHEMBL60146,7.0
+CNC(C)Cc1cc(OC)c(Br)cc1OC,CHEMBL351858,7.01
+O=C(CCCN1CCC(Nc2ccccc2)CC1)c1ccc(F)cc1,CHEMBL314430,5.64
+Fc1ccc(OCCCN2CCC(Nc3ccccc3)CC2)cc1,CHEMBL85507,5.44
+CN(C)CCCC(=O)c1ccc(F)cc1,CHEMBL83867,5.48
+O=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL86072,6.47
+O=C1NCN(c2ccccc2)C12CCN(CCCCc1ccc(F)cc1)CC2,CHEMBL84542,5.49
+O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1,CHEMBL82688,5.78
+CN(c1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL315522,5.54
+O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,CHEMBL79834,5.37
+O=C1NCN(c2ccccc2)C12CCN(CCc1ccccc1)CC2,CHEMBL84079,5.22
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,5.9
+Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O,CHEMBL2103778,5.31
+Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,CHEMBL46,5.3
+COc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL7257,6.02
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,CHEMBL25856,5.62
+CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1,CHEMBL316069,7.8
+Cc1ccc2c(c1)C1CCNC(Cc3cccc4ccccc34)C1N2,CHEMBL1202891,8.68
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC,CHEMBL94644,7.73
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC,CHEMBL96559,7.92
+COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC,CHEMBL96480,8.51
+Cc1ccc2c(c1F)C1CCNC(Cc3cccc4ccccc34)C1N2,CHEMBL96485,9.02
+COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC,CHEMBL95121,7.61
+COc1ccc(CC2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC,CHEMBL319009,8.69
+COc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1OC,CHEMBL323330,6.9
+COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC,CHEMBL96782,8.11
+CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,CHEMBL415300,7.96
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL54,5.33
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,6.647
+CN1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1,CHEMBL352107,4.8
+CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1,CHEMBL43355,5.36
+CN1CCN(c2nc3ccccc3c3c2CC2CCC3C2)CC1,CHEMBL287987,5.55
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,5.59
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,5.54
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL97650,6.92
+Cn1nnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL330603,6.74
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cn[nH]n4)cc23)CC1,CHEMBL97422,6.82
+Cn1ccnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL318735,6.89
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1,CHEMBL329280,6.0
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,9.29
+Cn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL328940,7.14
+Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL328048,7.35
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,6.48
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,6.48
+CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL330171,7.43
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL421573,5.92
+CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL318249,6.3
+Cn1cnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL327662,5.96
+Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL98299,6.72
+Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL97184,6.85
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,5.82
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL94612,7.3
+CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL89970,8.22
+C=CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL544418,7.29
+CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL556969,7.85
+CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL432762,7.44
+CN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL163863,7.7
+CN1CCC(C2=Cc3ccccc3Oc3ccccc32)CC1,CHEMBL539057,8.1
+CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL90882,8.52
+CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21,CHEMBL163239,5.92
+CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL542029,8.15
+CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL544184,7.05
+CN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL554670,7.85
+C=CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1,CHEMBL555362,7.34
+C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL90654,7.15
+C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL89719,6.6
+CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL7430,8.52
+CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,CHEMBL73538,7.08
+C=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,CHEMBL327713,7.46
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,7.13
+C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL91310,7.74
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,7.72
+CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL88464,8.22
+CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL328246,6.43
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,8.15
+CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL88870,6.41
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,8.22
+C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,CHEMBL90977,6.96
+COc1ccc2[nH]cc(CCN3CCCC3)c2c1F,CHEMBL352186,6.85
+COc1ccc2[nH]cc(CCN(C)C)c2c1F,CHEMBL142862,7.26
+OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL18972,6.08
+CN1CCN(/C(=C/c2ccccc2)c2ccccc2)CC1,CHEMBL18955,5.54
+c1ccc(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL18592,7.54
+O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL19615,6.2
+O=C(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL19589,6.1
+C(=C(\c1ccccc1)C1CCN(CCCCc2ccccc2)CC1)\c1ccccc1,CHEMBL18929,5.75
+O=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19262,5.62
+C(\Cc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL415996,5.86
+O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(C(c2ccccc2)c2ccccc2)CC1,CHEMBL273766,7.28
+Fc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1,CHEMBL18588,5.56
+c1ccc(CCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL19338,6.66
+C(=C(\c1ccccc1)N1CCN(CCCCc2ccccc2)CC1)\c1ccccc1,CHEMBL18719,5.59
+c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL276784,5.39
+Fc1ccc(CC2CCN(CCc3ccccc3)CC2)cc1,CHEMBL416911,5.7
+O=C(c1ccccc1)N1CCN(CCCCc2ccccc2)CC1,CHEMBL19351,5.07
+c1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL18222,5.75
+OC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL18904,5.18
+C(\CCc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1,CHEMBL19255,6.34
+CN1CCC(/C(=C/c2ccccc2)c2ccccc2)CC1,CHEMBL18930,5.91
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1,CHEMBL417637,5.82
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.64
+COc1ccc(OCc2ccccc2)cc1CCN,CHEMBL112792,6.39
+COc1ccc(O)cc1CCN,CHEMBL111361,5.31
+COc1ccc(CCc2ccccc2)cc1CCN,CHEMBL322357,6.36
+COc1ccc(Br)cc1CCN,CHEMBL54254,6.02
+COc1cc(Cc2ccccc2)ccc1CCN,CHEMBL111061,7.03
+COc1cc(CCCc2ccccc2)ccc1CC(C)N,CHEMBL105381,7.05
+COc1ccc(CCCCCc2ccccc2)cc1CCN,CHEMBL112768,6.82
+COc1cc(CCCC2CCCCC2)ccc1CCN,CHEMBL114445,6.94
+COc1ccc(CCCc2ccccc2)cc1CC(C)N,CHEMBL113215,6.96
+COc1cc(CCc2ccccc2)ccc1CCN,CHEMBL111708,6.77
+COc1ccc(Cc2ccccc2)cc1CCN,CHEMBL419563,6.64
+COc1cc(CCCCCc2ccccc2)ccc1CCN,CHEMBL109589,7.72
+COc1ccc(OC)c(CCN)c1,CHEMBL287047,5.225
+COc1ccc(OCCc2ccc(Br)cc2)cc1CCN,CHEMBL109763,6.94
+COc1ccc(C#CCCCc2ccccc2)cc1CCN,CHEMBL332919,6.69
+COc1cc(C#CCCCc2ccccc2)ccc1CCN,CHEMBL110802,7.15
+COc1ccc(CCCC2CCCCC2)cc1CCN,CHEMBL111912,6.7
+COc1ccc(I)cc1CCN,CHEMBL112653,5.79
+COc1cc(-c2ccccc2)ccc1CCN,CHEMBL322262,5.82
+COc1cc(CCCCc2ccccc2)ccc1CCN,CHEMBL110740,7.17
+COc1ccc(OCCc2ccccc2)cc1CCN,CHEMBL320725,5.75
+COc1ccc(-c2ccccc2)cc1CCN,CHEMBL321471,5.54
+COc1cc(CCCc2ccccc2)ccc1CCN,CHEMBL110151,6.53
+COc1cc(OCCc2ccccc2)ccc1CCN,CHEMBL327128,6.09
+COc1ccc(CCCc2ccccc2)cc1CCN,CHEMBL326565,6.66
+COc1ccc(CCCCc2ccccc2)cc1CCN,CHEMBL112590,7.15
+C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL6710,9.59
+C[C@H](N)Cc1c2c(c(C(F)(F)F)c3c1OCC3)OCC2,CHEMBL268542,8.8
+C[C@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2,CHEMBL263078,8.96
+COc1ccc(OC)c(C[C@@H](C)N)c1,CHEMBL6737,6.28
+C[C@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12,CHEMBL6907,9.16
+C[C@H](N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL268587,6.92
+C[C@@H](N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL6706,9.96
+C[C@@H](N)Cc1c2ccoc2cc2ccoc12,CHEMBL6871,9.1
+C[C@H](N)Cc1c2ccoc2cc2ccoc12,CHEMBL6838,8.22
+C[C@@H](N)Cc1c2c(cc3c1OCC3)OCC2,CHEMBL268072,8.09
+C[C@@H](N)Cc1c2c(c(C(F)(F)F)c3c1OCC3)OCC2,CHEMBL6452,8.72
+C[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12,CHEMBL7132,9.4
+C[C@H](N)Cc1c2ccoc2c(Br)c2ccoc12,CHEMBL263083,9.6
+COc1cc(C(F)(F)F)c(OC)cc1CC(C)N,CHEMBL6620,8.42
+CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC(=O)c2ccccc2)CC1,CHEMBL43304,7.51
+COc1cc(CCCc2ccccc2)cc(OC)c1CC(C)N,CHEMBL108173,7.41
+COc1cc(CCCc2ccccc2)c(OC)cc1CCN,CHEMBL102274,7.55
+CC(N)Cc1ccc(CCCc2ccccc2)cc1,CHEMBL101367,6.28
+COc1cc(CCc2ccccc2)c(OC)cc1CCN,CHEMBL103028,7.12
+COc1cc(CCCCc2ccccc2)c(OC)cc1CCN,CHEMBL439960,7.6
+COc1ccc(CCCc2cc(OC)c(CC(C)N)cc2OC)cc1,CHEMBL104102,7.62
+COc1cc(CC(C)N)ccc1CCCc1ccccc1,CHEMBL105152,6.87
+NCCc1ccc(CCCc2ccccc2)cc1,CHEMBL104088,6.28
+COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1,CHEMBL418994,8.22
+COc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1,CHEMBL102268,7.4
+COc1c(CCCc2ccccc2)ccc(CC(C)N)c1OC,CHEMBL105292,7.1
+COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1,CHEMBL8334,7.3
+COc1cc(CC(C)N)c(OC)cc1CCc1ccccc1,CHEMBL104715,6.85
+COc1cc(CC(C)N)c(OC)cc1CCCc1ccc(Cl)cc1,CHEMBL105580,7.8
+COc1cc(CC(C)N)cc(OC)c1Br,CHEMBL104362,6.24
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,6.89
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,8.19
+Brc1cccc2c3c([nH]c12)C=NCC3,CHEMBL6746,6.85
+Brc1ccc2c3c([nH]c2c1)CNCC3,CHEMBL441891,6.6
+CC1=NCCc2c1[nH]c1cccc(OC(C)C)c21,CHEMBL343079,7.59
+C1=NCCc2c1[nH]c1cccc(OCc3ccccc3)c21,CHEMBL344051,6.7
+COc1cccc2[nH]c3c(c12)CCN=C3,CHEMBL6591,7.12
+Brc1cccc2[nH]c3c(c12)CCN=C3,CHEMBL267599,6.85
+Brc1ccc2[nH]c3c(c2c1)CCNC3,CHEMBL6427,6.68
+Brc1cccc2c3c([nH]c12)CNCC3,CHEMBL6857,7.32
+Brc1ccc2[nH]c3c(c2c1)CCN=C3,CHEMBL6626,5.92
+COc1ccc2[nH]c3c(c2c1)CCN=C3,CHEMBL6717,5.93
+Brc1cccc2[nH]c3c(c12)CCNC3,CHEMBL6426,6.89
+COc1ccc2[nH]c3c(c2c1)CCNC3,CHEMBL266084,5.66
+COc1cccc2c3c([nH]c12)C=NCC3,CHEMBL269367,5.87
+COc1cccc2c3c([nH]c12)CNCC3,CHEMBL269571,5.9
+C1=NCCc2c1[nH]c1ccccc21,CHEMBL266221,5.96
+COc1cccc2[nH]c3c(c12)CCNC3,CHEMBL6586,6.85
+Brc1ccc2c3c([nH]c2c1)C=NCC3,CHEMBL428999,5.68
+COc1ccc2c(c1)c1c(n2C)CCN(CCCOc2ccc(F)cc2)C1,CHEMBL128185,6.82
+Cn1c2c(c3cccc(Cl)c31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL126737,6.65
+Cn1c2c(c3ccccc31)CCN(CCCOc1ccccc1)C2,CHEMBL126823,6.4
+COc1ccc(CCCCN2CCc3c(c4ccccc4n3C)C2)cc1,CHEMBL128945,6.0
+O=C(CCCN1CCc2c([nH]c3ccccc23)C1)c1ccccc1,CHEMBL129163,6.94
+c1ccc(OCCCN2CCc3c([nH]c4ccccc34)C2)cc1,CHEMBL424258,6.51
+CCn1c2c(c3ccccc31)CN(CCCOc1ccccc1)CC2,CHEMBL128099,6.67
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc3ccccc3c1)CC2,CHEMBL340511,6.52
+Cn1c2c(c3cc(Cl)ccc31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL338095,6.52
+Cn1c2c(c3ccccc31)CN(CCOc1ccc(F)cc1)CC2,CHEMBL126994,6.63
+COc1cccc2c3c(n(C)c12)CCN(CCCOc1ccc(F)cc1)C3,CHEMBL128184,6.65
+Cn1c2c(c3ccccc31)CN(C/C=C\CCc1ccccc1)CC2,CHEMBL2111848,6.55
+Cn1c2c(c3ccccc31)CN(CCC/C(=N/O)c1ccc(F)cc1)CC2,CHEMBL126138,6.72
+Cn1c2c(c3ccccc31)CN(CCCOc1ccccc1)CC2,CHEMBL128848,6.55
+Cn1c2c(c3ccccc31)CN(CCCCCCc1ccccc1)CC2,CHEMBL125361,6.28
+c1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1,CHEMBL126438,6.8
+Cn1c2c(c3ccccc31)CN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL129230,7.22
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(N)cc1)CC2,CHEMBL435814,6.52
+Cn1c2c(c3ccccc31)CN(CCCOCc1ccccc1)CC2,CHEMBL338081,6.19
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2,CHEMBL130585,6.52
+Cn1c2c(c3ccccc31)CN(CCCCCc1ccccc1)CC2,CHEMBL125417,6.0
+Cn1c2c(c3ccccc31)CN(C/C=C/CCc1ccccc1)CC2,CHEMBL446356,6.61
+Cn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2,CHEMBL96504,7.12
+Cn1c2c(c3ccccc31)CN(CCCOc1cccc3ccccc13)CC2,CHEMBL126188,6.4
+Cn1c2c(c3ccccc31)CN(CCCC(O)c1ccc(F)cc1)CC2,CHEMBL338696,6.41
+c1ccc(Cn2c3c(c4ccccc42)CN(CCCOc2ccccc2)CC3)cc1,CHEMBL130586,7.05
+CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,CHEMBL97450,6.57
+CN1CCc2cc(Cl)c(O)cc2C(c2cccc(Br)c2)C1,CHEMBL13632,8.55
+CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2Br)C1,CHEMBL13325,7.93
+CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1,CHEMBL62,7.9
+COc1cc(C)cc(OC)c1CC(C)N,CHEMBL293399,7.3
+Cc1c2c(c(CC(C)N)c3c1CCO3)OCC2,CHEMBL291585,8.12
+Cc1c2ccoc2c(CC(C)N)c2occc12,CHEMBL304636,9.05
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL76237,7.64
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,6.17
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,5.4
+CCc1[nH]c2ccc(OC)cc2c1CCN(C)C,CHEMBL267615,5.74
+NC(=O)C1(NC2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL356075,6.57
+O=C(CCCN1CCC2(CC1)C(=O)NCN2C1CCCCC1)c1ccc(F)cc1,CHEMBL147449,6.17
+CC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL147418,6.37
+CNC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL147363,5.35
+CN1CN(Cc2ccccc2)C(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL146569,5.85
+CCN(CC)CCc1c[nH]c2ccccc12,CHEMBL142936,6.98
+CCN(CC)CCc1c[nH]c2ccc(OC)cc12,CHEMBL342986,7.8
+CN(C)CCc1c[nH]c2cc(F)cc(O)c12,CHEMBL143031,8.13
+CCN(CC)CCc1c[nH]c2cc(F)ccc12,CHEMBL444612,6.68
+COc1cc2c(CCN(C)C)c[nH]c2cc1F,CHEMBL337590,7.72
+CCN(CC)CCc1c[nH]c2cccc(O)c12,CHEMBL143202,8.0
+CN(C)CCc1c[nH]c2c(F)ccc(O)c12,CHEMBL142368,8.27
+COc1ccc2occ3c2c1[C@H](CN)CC3,CHEMBL119584,7.96
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL119323,8.55
+COc1ccc2c3c1[C@H](CN)CC[C@@H]3CO2,CHEMBL116209,7.23
+COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2,CHEMBL445106,8.4
+COc1cc(Br)c2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL331864,8.31
+COc1cc(Br)c2occ3c2c1[C@H](CN)CC3,CHEMBL116940,8.96
+COc1ccc2c3c1[C@H](CN)CC[C@H]3CO2,CHEMBL117689,7.47
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,9.68
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,9.8
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,8.85
+CN1CCN2c3c(O)cccc3Cc3ccccc3C2C1,CHEMBL334270,8.7
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,9.41
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,8.26
+COc1cc(CCNCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Br,CHEMBL418319,5.91
+CNCCc1c[nH]c2ccc(OC)cc12,CHEMBL58579,6.08
+COc1cc(CCNCc2ccc(F)cc2)c(OC)cc1Br,CHEMBL58136,6.44
+COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1,CHEMBL417957,5.93
+COc1cc(CCNCCCc2ccccc2)c(OC)cc1Br,CHEMBL58556,6.51
+COc1cc(CCNCc2ccccc2)c(OC)cc1Br,CHEMBL292692,7.05
+COc1cc(CCN(C)C)c(OC)cc1Br,CHEMBL58273,6.32
+COc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1,CHEMBL293932,5.36
+COc1ccc2[nH]cc(CCNCCCc3ccccc3)c2c1,CHEMBL60757,6.78
+COc1ccc2[nH]cc(CCNCc3ccc(I)cc3)c2c1,CHEMBL294490,5.75
+COc1ccc2[nH]cc(CCNCc3ccccc3)c2c1,CHEMBL58083,6.43
+CCNCCc1c[nH]c2ccc(OC)cc12,CHEMBL57888,5.57
+COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br,CHEMBL294902,7.32
+COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br,CHEMBL61207,5.99
+COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br,CHEMBL57826,6.65
+COc1cc(CCNCc2ccc(Cl)cc2)c(OC)cc1Br,CHEMBL294151,6.15
+COc1ccc2[nH]cc(CCN)c2c1,CHEMBL8165,6.3
+CNCCc1cc(OC)c(Br)cc1OC,CHEMBL57000,7.0
+COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)cc1,CHEMBL60585,6.67
+COc1ccc2[nH]cc(CCNCc3ccc([N+](=O)[O-])cc3)c2c1,CHEMBL293760,5.0
+CCNCCc1cc(OC)c(Br)cc1OC,CHEMBL57147,5.71
+COc1ccc2[nH]cc(CCNCc3ccc(C)cc3)c2c1,CHEMBL294216,5.91
+COc1cc(CCNCCCCc2ccccc2)c(OC)cc1Br,CHEMBL58555,6.16
+COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br,CHEMBL57939,6.78
+COc1ccc2[nH]cc(CCNCc3ccc(N)cc3)c2c1,CHEMBL58845,5.17
+COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1,CHEMBL58133,5.82
+COc1ccc2[nH]cc(CCNCc3ccc(F)cc3)c2c1,CHEMBL433485,5.45
+COc1cc(CCN2CCCCC2)c(OC)cc1Br,CHEMBL299044,5.6
+COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1,CHEMBL57427,7.0
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL313744,6.6
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL85580,7.52
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314372,7.12
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL262167,6.34
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314813,6.62
+O=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL312982,7.22
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL433345,7.7
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL314371,6.96
+COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314814,7.3
+COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL87469,7.15
+COc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12,CHEMBL291771,5.64
+CN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1,CHEMBL417706,5.14
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,5.26
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12,CHEMBL84165,5.72
+CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12,CHEMBL86223,5.66
+Cn1ccc2c3c(ccc21)CCN3C(=O)Nc1cccnc1,CHEMBL342776,6.7
+Cn1ccc2ccc3c(c21)CCN3C(=O)Nc1cccnc1,CHEMBL147368,7.2
+CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL148385,8.1
+Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3,CHEMBL148347,6.9
+CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL2112859,7.9
+O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21,CHEMBL357870,6.9
+Cn1ccc2cc3c(cc21)N(C(=O)Nc1cccnc1)CC3,CHEMBL146830,5.9
+Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1,CHEMBL148346,8.6
+Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL297784,8.3
+O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21,CHEMBL356146,7.3
+O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21,CHEMBL343666,8.1
+Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3,CHEMBL315223,7.6
+CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL147820,8.0
+CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1,CHEMBL144567,7.2
+Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1,CHEMBL343455,7.4
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1Cl,CHEMBL90709,9.2
+COc1ccc(Oc2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88879,8.5
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1,CHEMBL313805,7.0
+COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1N,CHEMBL90460,7.4
+COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88858,8.2
+COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O,CHEMBL88305,8.7
+CN1CCN(c2nc3ncccc3n3cccc23)CC1,CHEMBL423899,6.1
+OCCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1,CHEMBL136108,5.7
+Cc1cccc2nc(N3CCNCC3)c3cccn3c12,CHEMBL342690,6.0
+CN1CCN(C2=Cc3cc(Cl)ccc3Cn3cccc32)CC1,CHEMBL179557,8.42
+Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1,CHEMBL178564,7.82
+CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CHEMBL608530,6.27
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL191226,4.0
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2ccccc2Cl)CC1,CHEMBL193182,6.37
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL189890,6.13
+CN(C)CCc1cn(C)c2cccc(O)c12,CHEMBL197664,7.32
+CCCCn1cc(CCN(C)C)c2c(O)cccc21,CHEMBL198124,7.8
+CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21,CHEMBL371753,5.24
+CN(C)CCc1c[nH]c2cc(O)ccc12,CHEMBL382750,4.72
+Cc1[nH]c2cccc(O)c2c1CCN(C)C,CHEMBL370859,5.89
+CN(C)CCc1c[nH]c2cccc(F)c12,CHEMBL197646,6.44
+Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12,CHEMBL445331,5.84
+CN(C)Cc1c[nH]c2cccc(O)c12,CHEMBL194588,7.31
+CN(C)CCn1ccc2c(O)cccc21,CHEMBL194203,5.03
+COc1cc2c(c(OC)c1OC)CCC2CN,CHEMBL211309,7.22
+COc1cc(CCN)cc(OC)c1OC,CHEMBL26687,6.42
+CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2[nH]1,CHEMBL583422,7.36
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2[nH]1,CHEMBL565484,6.61
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2[nH]1,CHEMBL567649,6.98
+CCOC(=O)c1cc2cc(OCCCN3CCN(C(=O)c4ccco4)CC3)ccc2[nH]1,CHEMBL584919,6.51
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4Cl)CC3)ccc2[nH]1,CHEMBL586050,7.4
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2[nH]1,CHEMBL565707,7.3
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)ccc2[nH]1,CHEMBL568284,7.35
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2[nH]1,CHEMBL566533,8.89
+CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2[nH]1,CHEMBL568285,5.0
+CCOc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccncc2)CC1,CHEMBL1087182,7.94
+COCCN1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927086,6.41
+CCOCCN1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927087,6.22
+COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1,CHEMBL1927088,8.79
+N#C/N=C(\NCCCN1CCN(c2ccccc2C#N)CC1)c1ccccn1,CHEMBL1927091,7.54
+Cc1cccc(N2CCN(CCCN/C(=N\C#N)c3ccccn3)CC2)c1C,CHEMBL1927092,7.53
+N#C/N=C(\NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1,CHEMBL1927094,8.48
+N#C/N=C(\NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1,CHEMBL1927095,8.74
+N#C/N=C(\NCCCN1CCN(c2ncccn2)CC1)c1ccccn1,CHEMBL1927096,7.65
+O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CHEMBL140872,5.38
+Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1,CHEMBL1940416,5.05
+Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940419,5.09
+Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL1940420,5.08
+O=c1c2c(on1Cc1ccccc1)CCNCC2,CHEMBL2331807,6.14
+O=c1c2c(on1Cc1ccc(I)cc1)CCNCC2,CHEMBL2331788,7.99
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O,CHEMBL2385102,6.41
+Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387230,7.16
+Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387229,5.77
+O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387265,6.59
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL2387253,6.0
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387260,7.92
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1)c1ccccc1,CHEMBL3261686,7.8
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccn(C)c3c2)cc1)c1ccccc1,CHEMBL3261687,7.96
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1,CHEMBL3261688,8.77
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.96
+Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21,CHEMBL536255,6.91
+O=C(Nc1cccnc1)Nc1ccc2ccccc2c1,CHEMBL3261689,8.21
+CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc21,CHEMBL3261690,7.97
+CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261692,8.54
+Cc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1I,CHEMBL3261694,8.62
+COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261695,7.95
+COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F,CHEMBL3261696,8.48
+CSc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F,CHEMBL3261697,8.47
+COc1cc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)ccc1Cl,CHEMBL3261698,7.79
+CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3c(ccn3C)c2)c1)c1ccccc1,CHEMBL3261699,6.19
+CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3ccccc3c2)c1)c1ccccc1,CHEMBL3261700,7.06
+CN(C)CCC(Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261701,7.24
+CN(C)CCC(Oc1ccc(NC(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1,CHEMBL3261702,7.1
+CN(C)CCC(Oc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1)c1ccccc1,CHEMBL3261703,7.99
+COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(CCN(C)C)c1ccccc1,CHEMBL3261704,8.55
+COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(CCN(C)C)c1ccccc1,CHEMBL3261705,6.71
+Cc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261706,7.34
+COc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl,CHEMBL3261707,6.82
+COc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F,CHEMBL3261708,7.04
+c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,CHEMBL3289656,6.55
+O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,CHEMBL210578,6.06
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,CHEMBL3321788,5.61
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,CHEMBL3321790,5.82
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,CHEMBL3321791,5.73
+OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,CHEMBL3321792,5.95
+COc1cc(CCNCc2cccc3c2OCO3)c(OC)cc1Br,CHEMBL3589578,7.95
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634813,6.73
+Fc1ccc2c(C3CCN(CCCOc4ccc(Cc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634821,5.7
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CHEMBL1112,7.12
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740256,6.86
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741292,6.0
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,CHEMBL14563,9.8
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3753283,6.32
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3752059,7.02
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(N2CCN(c3cccc(Cl)c3)CC2)c1,CHEMBL3754784,8.21
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3753681,8.09
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc1)CC2,CHEMBL3753075,7.36
+Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc2)cc1Cl,CHEMBL3753329,8.35
+COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc2)cc1Cl,CHEMBL3754137,7.79
+CCn1ccc2cc(NC(=O)Nc3ccc(S(=O)(=O)N(CCN(C)C)Cc4ccccc4)cc3)ccc21,CHEMBL3753516,7.58
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1,CHEMBL3752844,7.84
+CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1,CHEMBL3753894,7.94
+Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OC(CCN(C)C)c3ccccc3)cc1)CC2,CHEMBL3752465,9.22
+COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL104593,9.03
+COc1ccc(N2CCN(CCNC(=O)c3ccncc3)CC2)cc1,CHEMBL192242,5.88
+CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL3765463,8.29
+Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C,CHEMBL3763242,8.65
+O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,CHEMBL3763714,8.17
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1,CHEMBL3764539,9.81
+O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763812,7.0
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+O=C1c2ccccc2C(=O)N1CCCCN1Cc2ccccc2C1,CHEMBL3818669,6.82
+Fc1ccc(CCCCN2CCc3ccccc3C2)cc1,CHEMBL3818128,5.375
+Fc1ccc(SCCCN2CCc3ccccc3C2)cc1,CHEMBL3819556,5.58
+O=C(CCCN1CCc2ccccc2C1)c1ccccc1,CHEMBL3818989,6.22
+N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3818200,6.235
+NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,CHEMBL3819427,5.72
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diff --git a/chembl_200/CHEMBL3242.csv b/chembl_200/CHEMBL3242.csv
new file mode 100644
index 0000000000000000000000000000000000000000..60041ac9898e86df7dd39a38beb8ca4d1abf3191
--- /dev/null
+++ b/chembl_200/CHEMBL3242.csv
@@ -0,0 +1,2111 @@
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+Cc1ccc(S(N)(=O)=O)cc1,CHEMBL574,8.74
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+NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1,CHEMBL195615,7.8
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+NN(NC(=S)NCCc1ccc(S(N)(=O)=O)cc1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL182197,8.64
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+CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL687,7.31
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+CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL278395,7.25
+CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23591,7.07
+CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23417,6.86
+CCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL283097,6.83
+CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23285,6.6
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL23559,7.68
+CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL193648,7.48
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL23796,7.17
+CC(=O)Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193825,7.12
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1,CHEMBL23238,7.08
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1,CHEMBL194350,7.74
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1,CHEMBL254833,7.62
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,CHEMBL22374,7.89
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL365558,7.1
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51668,7.89
+NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1,CHEMBL370526,8.0
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl,CHEMBL363168,6.46
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,CHEMBL194634,8.48
+NS(=O)(=O)c1nnc(NS(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL382075,8.72
+NS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1,CHEMBL197412,8.62
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,7.89
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,7.74
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)NN)cc1Cl,CHEMBL215276,5.62
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)NN)cc1Cl,CHEMBL387480,5.86
+COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL380158,5.96
+COC(=O)CS(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL212811,5.87
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)O)cc1Cl,CHEMBL385073,5.52
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)O)cc1Cl,CHEMBL215355,5.62
+CCOC(=O)c1cc(S(N)(=O)=O)c(S)cc1Cl,CHEMBL215990,7.28
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S,CHEMBL215291,7.45
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1S,CHEMBL386517,7.7
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(C(=O)N2CCCC2)cc1S(N)(=O)=O,CHEMBL214993,6.72
+NS(=O)(=O)c1cc2c(cc1S)NCNS2(=O)=O,CHEMBL215916,6.93
+NS(=O)(=O)c1cc2c(cc1SSc1cc3c(cc1S(N)(=O)=O)S(=O)(=O)NCN3)NCNS2(=O)=O,CHEMBL215776,5.71
+CC(C)CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL385451,6.0
+CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL215917,6.97
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,5.73
+C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL386542,9.0
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL385152,7.94
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL383897,8.11
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL216245,8.14
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217304,8.1
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL410510,8.41
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(CNC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215105,8.1
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL384644,8.49
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL217683,6.41
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216214,8.21
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217303,8.13
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216563,8.06
+C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL217569,8.08
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL387076,8.37
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(COC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215156,8.11
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL217288,9.0
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL216312,8.13
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL216210,7.88
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217232,7.71
+CC(=O)O[C@@H]1[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL231897,8.12
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL392485,8.96
+CC(=O)O[C@@H]1[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL394021,7.93
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL231896,7.94
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL214926,8.12
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL386416,7.84
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL216208,8.12
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217454,8.09
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL215182,8.41
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL425274,8.15
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL386266,7.83
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,6.51
+Oc1cc(F)cc(F)c1,CHEMBL259068,4.15
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,6.96
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL34016,8.49
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,6.2
+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)CC(=O)O)s1,CHEMBL432083,8.55
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL286862,8.41
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL286449,8.4
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+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL284694,8.36
+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)s1,CHEMBL34546,8.68
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL34526,8.55
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(=O)O)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL285436,8.52
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC(=O)O)c1,CHEMBL285962,8.32
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,6.58
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+Oc1ccccc1O,CHEMBL280998,5.05
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+N#Cc1ccc(O)cc1,CHEMBL66381,5.04
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+O=C(O)c1ccccc1O,CHEMBL424,5.06
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+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL480302,8.08
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL444912,8.04
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+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL525195,7.99
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498757,7.99
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498758,7.99
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL499111,7.96
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL496880,7.92
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,7.92
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,7.89
+NS(=O)(=O)c1ccc2c(c1)CCC2,CHEMBL364869,9.41
+NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL457996,8.85
+NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL186263,8.32
+CC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL184674,8.27
+CC(=O)NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL454461,8.33
+CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL359768,9.49
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,7.55
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,8.21
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,8.04
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,8.55
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,CHEMBL184361,8.64
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,8.26
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)cc(F)c1F)C2,CHEMBL186963,8.51
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,8.05
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,8.23
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,7.28
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,9.16
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+COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL500454,9.44
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2,CHEMBL364127,9.36
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,7.75
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.01
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,6.52
+CCCCCCCCOS(N)(=O)=O,CHEMBL24261,8.15
+CCCCCCCCCCOS(N)(=O)=O,CHEMBL153094,8.1
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,8.1
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,8.09
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL568705,5.33
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL579226,5.325
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+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573459,5.34
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573460,5.34
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL569170,5.33
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL569412,5.32
+NS(=O)(=O)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL583958,5.34
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL570125,5.32
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL569168,5.32
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,5.43
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.01
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,5.09
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,5.12
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,5.07
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,5.19
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,5.12
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,5.15
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.54
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,5.1
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,5.17
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,5.21
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,5.25
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,4.98
+COC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL567896,4.81
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,4.59
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,5.06
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,5.02
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,5.82
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,4.38
+NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1,CHEMBL379206,8.3
+Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL16909,8.14
+CNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL571371,7.16
+CN(C)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL277836,8.1
+NS(=O)(=O)c1ccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)cc1,CHEMBL274704,8.21
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL569804,8.2
+NS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1,CHEMBL571385,8.14
+Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL570615,8.14
+CN(C)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL576908,8.1
+NS(=O)(=O)c1cccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)c1,CHEMBL570257,8.14
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL569350,8.13
+O=S(=O)(O)CNc1ccccc1,CHEMBL569351,5.2
+CN(CS(=O)(=O)O)c1ccccc1,CHEMBL571598,5.23
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.05
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.11
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.01
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.04
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.1
+Oc1ccccc1,CHEMBL14060,5.04
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.03
+O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CHEMBL6246,5.045
+CCN(CC)C(=S)S,CHEMBL107217,5.96
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090012,8.14
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089371,8.12
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089372,8.11
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1089329,8.09
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1091806,8.08
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091319,8.07
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092374,8.06
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092714,8.06
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092715,8.06
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093298,8.06
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1088997,8.05
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+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092028,8.04
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+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1093729,8.03
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091073,8.03
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+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090010,8.02
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1089370,8.01
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091318,8.01
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094037,8.01
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094036,8.0
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092027,7.98
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1089015,7.94
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1091779,7.87
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092775,7.81
+COC(=O)[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093054,7.81
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091780,7.78
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,8.05
+NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-],CHEMBL1165118,7.86
+Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1,CHEMBL1165071,8.17
+NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,CHEMBL1165726,8.17
+NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1,CHEMBL1163599,8.16
+N#Cc1ccc(Oc2ccncc2S(N)(=O)=O)cc1,CHEMBL1164572,8.2
+CCOc1ccncc1S(N)(=O)=O,CHEMBL1165319,8.23
+COc1ccncc1S(N)(=O)=O,CHEMBL1165321,8.24
+Cn1nnnc1Sc1ccncc1S(N)(=O)=O,CHEMBL1165072,8.38
+NS(=O)(=O)c1cnccc1Sc1nnns1,CHEMBL1165005,8.29
+NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1,CHEMBL1163951,7.67
+NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,CHEMBL1164504,8.33
+CSc1ccncc1S(N)(=O)=O,CHEMBL1165117,8.17
+N#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164420,7.81
+C#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164486,7.81
+NS(=O)(=O)c1cnccc1SCc1ccccc1,CHEMBL1164472,8.19
+NC(=O)CSc1ccncc1S(N)(=O)=O,CHEMBL1163376,7.8
+C=CCNc1ccncc1S(N)(=O)=O,CHEMBL1164966,7.77
+CC1CC=NN1c1ccncc1S(N)(=O)=O,CHEMBL1163382,7.8
+CNNc1ccncc1S(N)(=O)=O,CHEMBL1164878,8.05
+NNc1ccncc1S(N)(=O)=O,CHEMBL1164967,8.0
+NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1,CHEMBL1165061,7.82
+N#Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165062,8.47
+Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165822,8.09
+NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1,CHEMBL1165695,8.34
+COc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL477822,7.2
+COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)cc(=O)oc2c1,CHEMBL492022,7.26
+COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL514556,6.89
+COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL478669,7.11
+COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL489182,8.22
+O=c1cc(O)c2ccccc2o1,CHEMBL301141,5.2
+O=c1ccc2cc(O)ccc2o1,CHEMBL243263,6.17
+O=c1ccc2ccc(O)cc2o1,CHEMBL51628,6.12
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,7.89
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209038,8.55
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,8.33
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,6.28
+NCCCCCCN,CHEMBL303004,6.43
+NCCCCCN,CHEMBL119296,6.35
+NCCNCCN,CHEMBL303429,4.94
+NCCNc1cccc2ccccc12,CHEMBL1214195,6.42
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,6.72
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,4.99
+CC(=O)NCCNc1cccc2ccccc12,CHEMBL1214323,4.67
+NCCNCCNCCN,CHEMBL609,4.24
+NCCCNCCCCNCCCN,CHEMBL23194,4.56
+NCCCCNCCCN,CHEMBL19612,4.36
+NCCNCCCNCCN,CHEMBL1214193,4.17
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,6.02
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.36
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,5.46
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,5.33
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,5.04
+Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240572,7.54
+NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O,CHEMBL1240573,7.34
+NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240574,6.84
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL1242704,7.45
+NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O,CHEMBL1242705,7.49
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O,CHEMBL1242706,7.6
+NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL1242792,7.5
+NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL1242793,7.91
+NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O,CHEMBL1242794,6.9
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O,CHEMBL1242889,7.46
+NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1242890,8.06
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])c3nonc23)ccc1=O,CHEMBL1242891,7.12
+NS(=O)(=O)c1cn(-c2ncnc3nc[nH]c23)ccc1=O,CHEMBL1240620,6.95
+COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1241532,6.42
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.17
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,5.39
+COc1ccccc1OC,CHEMBL1668603,5.08
+COc1ccc(OC)cc1,CHEMBL1668604,5.4
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,5.11
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,5.44
+O=C(O)c1cccc(O)c1,CHEMBL65369,5.45
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,5.08
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL25600,7.17
+NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL1643289,7.31
+NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1,CHEMBL1643290,7.19
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CHEMBL1615281,8.35
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL1446150,8.28
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL1643291,8.1
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL1643292,8.37
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL1337519,8.64
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL1643293,7.41
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL316779,8.29
+COc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643294,7.21
+CC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643295,8.34
+CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1615280,8.375
+CC(C)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643296,7.3
+CCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643297,7.55
+CCCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643298,8.6
+CCCCCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643299,7.28
+N#Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643300,8.19
+N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643301,8.34
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL1643302,8.15
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL1643303,7.19
+NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL1614844,8.24
+COc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1,CHEMBL1643304,8.22
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CHEMBL1643305,7.26
+NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1,CHEMBL1615215,8.15
+Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1643306,8.21
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1,CHEMBL1643307,8.6
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1688317,7.03
+NS(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688316,6.86
+NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688315,8.02
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1688314,8.12
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688313,8.14
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688312,8.12
+CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688311,6.84
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1688310,8.08
+CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COS(N)(=O)=O,CHEMBL1688309,8.02
+CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL1688308,7.06
+CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL1688307,7.02
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688306,7.07
+NS(=O)(=O)c1ccc(C(=O)OCCCCO[N+](=O)[O-])cc1,CHEMBL1778431,7.52
+NS(=O)(=O)c1ccc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)cc1,CHEMBL1778432,6.83
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL1778433,7.72
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCCCO[N+](=O)[O-])c2)s1,CHEMBL1738778,7.51
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL1778434,7.38
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCCCO[N+](=O)[O-])cc2)s1,CHEMBL1778435,7.51
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778436,7.37
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1778437,7.06
+NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1,CHEMBL1777820,7.08
+NS(=O)(=O)c1ccc(OCCCCO[N+](=O)[O-])cc1,CHEMBL1778438,7.54
+NS(=O)(=O)c1ccc(OCCCCCO[N+](=O)[O-])cc1,CHEMBL1778439,6.94
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1797783,8.19
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL1797784,8.15
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797785,8.15
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797786,8.2
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL1797787,7.11
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL1797788,7.1
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL1797789,7.09
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797790,8.16
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797791,8.11
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1797792,8.15
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807496,8.27
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807497,8.19
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807498,8.25
+CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1NS(N)(=O)=O,CHEMBL1807499,8.24
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1807500,5.71
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1807501,5.08
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CHEMBL1807502,5.26
+C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1807503,5.0
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807504,8.32
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807505,8.11
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CHEMBL366069,9.46
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187901,7.25
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187274,7.36
+NS(=O)(=O)c1ccc(Nc2nc(NCC(=O)O)nc(NCC(=O)O)n2)cc1,CHEMBL1813206,8.22
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL191045,7.99
+COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813207,8.06
+COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1738792,8.17
+NS(=O)(=O)c1ccc(Nc2nc(NCCC(=O)O)nc(NCCC(=O)O)n2)cc1,CHEMBL1813208,9.07
+CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O,CHEMBL1813209,8.24
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813210,8.07
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1,CHEMBL1738787,8.8
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1,CHEMBL1813211,7.36
+CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813212,6.61
+COC(=O)CNc1nc(NCC(=O)OC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813213,8.03
+CC(Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813214,8.04
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL1813215,7.68
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813216,7.1
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,8.59
+COC(=O)CNc1nc(Cl)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190733,8.54
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL190024,8.46
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813217,7.09
+CC(Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813218,8.07
+NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813219,8.15
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,8.82
+NS(=O)(=O)c1cnccc1Oc1ccncc1S(N)(=O)=O,CHEMBL1817908,8.22
+COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,CHEMBL1817672,8.11
+NS(=O)(=O)c1cnccc1-n1ccccc1=O,CHEMBL1817907,8.04
+COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O,CHEMBL1817906,8.12
+NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1,CHEMBL1817905,8.21
+CN(C)c1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817904,8.0
+Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817903,8.05
+Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O,CHEMBL1817902,8.09
+NS(=O)(=O)c1cnccc1-[n+]1ccccc1,CHEMBL1817901,7.79
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,8.04
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,7.98
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,8.07
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,7.6
+NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1,CHEMBL1836399,8.03
+Cc1ccc(C#Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1836400,6.98
+COc1cccc(C#Cc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1836401,8.92
+NS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1,CHEMBL1836402,7.23
+NS(=O)(=O)c1ccc(C#Cc2cccc(F)c2)cc1,CHEMBL1836403,7.12
+NS(=O)(=O)c1cccc(C#Cc2ccccc2)c1,CHEMBL1836404,8.89
+Cc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL1836405,6.39
+COc1cccc(C#Cc2cccc(S(N)(=O)=O)c2)c1,CHEMBL1836406,8.04
+NS(=O)(=O)c1cccc(C#Cc2cccc(F)c2)c1,CHEMBL1836407,7.24
+NS(=O)(=O)c1ccccc1C#Cc1ccccc1,CHEMBL1836408,8.0
+Cc1ccc(C#Cc2ccccc2S(N)(=O)=O)cc1,CHEMBL1836409,7.07
+NS(=O)(=O)c1ccccc1C#Cc1cccc(F)c1,CHEMBL1836410,7.92
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836634,8.05
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1834000,8.1
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL1836633,7.25
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836632,7.93
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836631,8.03
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836630,8.28
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836624,8.11
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836629,7.97
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836628,7.27
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836627,7.23
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836626,8.04
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836625,8.07
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836623,8.05
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836622,8.0
+Cc1cc(=O)oc2cc(O)ccc12,CHEMBL12208,5.09
+Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12,CHEMBL1172750,7.37
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)ccc12,CHEMBL1938469,6.74
+Cc1cc(=O)oc2cc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)ccc12,CHEMBL1938470,7.28
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1441570,7.27
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1393422,8.07
+Cc1cc(=O)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938471,6.98
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938472,7.0
+COc1cc2oc(=O)ccc2cc1C(O)CC(C)C,CHEMBL1938473,4.31
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,7.03
+OC(=S)c1ccccc1,CHEMBL1955873,5.56
+[O-][n+]1ccccc1S,CHEMBL1356238,5.27
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,5.02
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,7.27
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,7.19
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956743,8.14
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956744,8.12
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956745,8.05
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956746,8.14
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956747,7.34
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956748,7.0
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956749,8.06
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956750,8.11
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956751,8.0
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956752,8.08
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956753,8.08
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956754,8.12
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956755,8.09
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956756,8.13
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956757,7.32
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956758,8.09
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956759,8.09
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956760,8.09
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956761,8.01
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956762,8.07
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956763,7.7
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956764,6.95
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956765,7.99
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956766,8.07
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956767,6.52
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956768,7.9
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956769,8.01
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956770,8.09
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956771,7.09
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956772,8.1
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956773,7.87
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956774,8.06
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1,CHEMBL1957175,6.55
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1,CHEMBL1957176,6.51
+Oc1ccc2oc(=S)ccc2c1,CHEMBL1957177,6.47
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1,CHEMBL1957178,6.08
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1,CHEMBL1957179,6.46
+Oc1ccc2ccc(=S)oc2c1,CHEMBL1955879,6.49
+C=CCOc1ccc2oc(=O)ccc2c1,CHEMBL1957172,6.1
+C=CCOc1ccc2ccc(=O)oc2c1,CHEMBL432745,6.19
+C=CCOc1cc(=O)oc2ccccc12,CHEMBL1957180,6.06
+C=CCOc1ccc2oc(=S)ccc2c1,CHEMBL1957181,5.9
+C=CCOc1ccc2ccc(=S)oc2c1,CHEMBL1957182,5.55
+C=CCOc1cc(=S)oc2ccccc12,CHEMBL1957183,5.9
+O=c1ccc2ccc(OCCO)cc2o1,CHEMBL1957184,6.2
+Cc1ccc(S(=O)(=O)OCCOc2ccc3ccc(=O)oc3c2)cc1,CHEMBL1957185,6.05
+O=c1ccc2ccc(OCCF)cc2o1,CHEMBL1957186,6.23
+CC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL1951641,6.04
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1,CHEMBL1957187,6.19
+Cc1cc(=O)oc2cc(NC(=O)OC(C)(C)C)ccc12,CHEMBL1957188,6.24
+Cc1cc(=O)oc2cc(N)ccc12,CHEMBL270672,5.04
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.03
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.19
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.135
+O=c1c(O)c(-c2ccccc2)oc2ccccc12,CHEMBL294009,5.18
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.075
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.09
+S=C(S)Nc1ccccc1,CHEMBL2023162,8.37
+S=C(S)NN1CCOCC1,CHEMBL2023163,8.04
+CN1CCN(NC(=S)S)CC1,CHEMBL2023164,7.76
+CCC(C)NC(=S)S,CHEMBL2023165,7.5
+S=C(S)NCCN1CCOCC1,CHEMBL2023166,8.38
+S=C(S)NCCN(CCNC(=S)S)CCNC(=S)S,CHEMBL2023167,8.03
+S=C(S)NCc1ccccc1,CHEMBL2023168,7.94
+S=C(S)NCc1ccncc1,CHEMBL2023169,7.62
+S=C(S)NCCN1CCCCC1,CHEMBL2023170,7.69
+S=C(S)Nc1nccs1,CHEMBL2023171,7.66
+O=C(O)CNC(=S)S,CHEMBL2023172,8.17
+S=C(S)NCCCn1ccnc1,CHEMBL2023718,8.19
+CN(C)C(=S)S,CHEMBL569460,6.1
+S=C(S)N1CCCC1,CHEMBL2021946,7.34
+CC(C)CN(CC(C)C)C(=S)S,CHEMBL2023719,9.0
+CCCN(CCC)C(=S)S,CHEMBL2023720,8.15
+CCCCN(CCCC)C(=S)S,CHEMBL2023721,8.24
+CCCCCCN(CCCCCC)C(=S)S,CHEMBL2023722,7.79
+CCCCN(CC)C(=S)S,CHEMBL2023723,8.12
+OCCN(CCO)C(=S)S,CHEMBL2023724,8.38
+CN(C(=S)S)c1ccccc1,CHEMBL2023725,8.11
+CN(Cc1ccccc1)C(=S)S,CHEMBL2023726,8.52
+S=C(S)N1CCOCC1,CHEMBL2023727,8.47
+S=C(S)N1CCN(C(=S)S)CC1,CHEMBL2023728,9.11
+N#CC1(c2ccccc2)CCN(C(=S)S)CC1,CHEMBL2023729,6.77
+O=C(O)[C@@H]1CCCN1C(=S)S,CHEMBL2023730,8.4
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL2047796,8.22
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CHEMBL2047797,8.177
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL2047798,8.337
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL2047799,8.265
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL2047800,8.22
+N#Cc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047801,8.315
+COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047802,8.472999999999999
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL2047804,8.21
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1,CHEMBL2047806,8.355
+NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2047807,8.24
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL2047808,8.397
+CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047809,8.587
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1,CHEMBL2047810,8.45
+Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047811,8.615
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047812,8.315
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1,CHEMBL2047814,8.315
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1,CHEMBL2047815,8.355
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL2047817,8.395
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL2047818,8.355
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1,CHEMBL2047819,8.53
+COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1,CHEMBL2047820,8.315
+CC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047824,8.395
+CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047825,8.24
+COc1ccc(C)cc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL2047827,8.315
+CCOc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL2047828,8.395
+Cc1ccc(CNC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047829,8.22
+CSc1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047834,8.395
+CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL2047836,8.265
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1,CHEMBL2047837,8.45
+CCOC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047838,8.355
+N#Cc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL2047839,8.2
+NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccs2)cc1,CHEMBL2047841,8.45
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,CHEMBL2047842,8.395
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1,CHEMBL2047843,8.53
+NS(=O)(=O)Oc1ccc(NC(=O)NCc2ccccn2)cc1,CHEMBL2047844,8.355
+O=C(O)/C(O)=C/C(=O)c1ccccc1,CHEMBL467389,5.11
+O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL499273,5.1
+COC(=O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL2070203,5.07
+O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccccc2)c2ccccc12,CHEMBL1673089,5.12
+O=C(O)/C(O)=C(\O)C(=O)O,CHEMBL41028,5.15
+CC(=O)c1c(C(=O)O)n(C)c2cc3c(cc12)OCO3,CHEMBL2070204,4.86
+COc1ccccc1C(=O)CC(=O)/C=C(\O)C(=O)O,CHEMBL2070205,6.11
+COC(=O)/C(O)=C/C(=O)CC(=O)c1ccccc1OC,CHEMBL2070206,5.15
+CCn1cc(-c2cc(C(=O)O)[nH]n2)c2ccccc21,CHEMBL2070207,5.11
+O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070208,5.49
+COC(=O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070209,4.89
+O=C(O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070210,6.32
+COC(=O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070211,5.16
+COC(=O)/C(O)=C1/C(=O)N(c2ccccc2)c2ccccc21,CHEMBL2070212,5.3
+CCn1cc(C2=C(O)C(=O)NC2=O)c2ccccc21,CHEMBL2070213,5.06
+O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070202,4.84
+O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070214,5.03
+O=C(O)c1ccccc1Nc1ccccc1,CHEMBL23832,7.3
+NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL2148104,7.72
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164738,8.41
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164737,9.3
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL2164736,7.37
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2164735,7.1
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164734,7.32
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164733,7.28
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164732,7.21
+NS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164731,6.24
+NS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164730,7.27
+NS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2164729,7.24
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,5.23
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,5.26
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,5.17
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,5.25
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,5.34
+NS(=O)(=O)c1cn(CC(=O)NNC(=O)c2ccco2)ccc1=O,CHEMBL2203350,7.12
+Cc1ccc(S(=O)(=O)NNC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203349,7.1
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL2203348,7.09
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL2203347,7.13
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1=O,CHEMBL2203346,7.36
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203345,7.39
+COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203344,7.2
+NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL2203372,7.21
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O,CHEMBL2203371,7.33
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)ccc1=O,CHEMBL2203356,7.49
+Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203355,7.58
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1=O,CHEMBL2203354,7.16
+Cc1ccc(-n2c(Cn3ccc(=O)c(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1,CHEMBL2203353,7.15
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1=O,CHEMBL2203352,7.08
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)C(C)(C)C1,CHEMBL2203351,7.14
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)CC1,CHEMBL2208446,7.34
+Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1,CHEMBL2203339,7.14
+CCN(c1ccccc1)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208445,7.13
+CN(C)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208444,7.43
+Cc1noc(C)c1Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208443,7.63
+NS(=O)(=O)c1cn(CC2CC2)ccc1=O,CHEMBL2208442,7.09
+CCOC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208441,7.15
+N#CCCCn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208440,7.18
+NS(=O)(=O)c1cn(CCO)ccc1=O,CHEMBL2208439,7.24
+N=C(N)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2323125,7.85
+N=C(N)Nc1ccc(C(=O)O)cc1,CHEMBL20767,6.32
+N=C(N)Nc1ccc(O)cc1,CHEMBL2323124,4.84
+COc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL2326522,7.68
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc2O1,CHEMBL2326521,7.89
+COc1ccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)cc1,CHEMBL2326520,7.41
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)ccc2O1,CHEMBL2326519,7.85
+CCN(CC)Cc1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326518,8.15
+O=S1(=O)C=Cc2cc(-n3cc(CO)nn3)ccc2O1,CHEMBL2326517,7.8
+C[Si](C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326516,8.05
+CCOC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326515,7.89
+COC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326514,7.92
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccccc4)nn3)ccc2O1,CHEMBL2326513,7.49
+O=S1(=O)C=Cc2cc(Cl)cc(Cl)c2O1,CHEMBL2326512,5.53
+Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326511,7.64
+O=[N+]([O-])c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2321923,5.5
+O=S1(=O)C=Cc2cc(Br)ccc2O1,CHEMBL2326510,5.35
+O=S1(=O)C=Cc2c(ccc3ccccc23)O1,CHEMBL2326509,6.14
+O=S1(=O)C=Cc2cc(OCc3ccccc3)ccc2O1,CHEMBL2326508,6.66
+COS(=O)(=O)c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326507,6.6
+O=S1(=O)C=Cc2cc(O)ccc2O1,CHEMBL2326506,6.63
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.12
+Nc1cccc(O)c1,CHEMBL269755,5.11
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,6.14
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.12
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.31
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.09
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.05
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.07
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.08
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.07
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.08
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.02
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.06
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.08
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.14
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.14
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.09
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.12
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,6.08
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,5.14
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.3
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.11
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.02
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,5.12
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,5.07
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.07
+COC(=O)c1ccc(O)cc1,CHEMBL325372,6.09
+C=C(Cl)CN(CC(=C)Cl)S(=O)(=O)c1ccc(N)cc1,CHEMBL2333977,7.1
+C=C(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333976,7.02
+Nc1ccc(S(=O)(=O)NCCC(F)F)cc1,CHEMBL2333975,5.94
+Nc1ccc(S(=O)(=O)NCCC(F)Cl)cc1,CHEMBL2333974,5.71
+CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333973,7.1
+CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333972,5.82
+CC(=O)Nc1ccc(S(=O)(=O)NCC(C)F)cc1,CHEMBL2333971,5.96
+CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333970,7.4
+C=C(C)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333969,5.89
+CCCNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333968,5.73
+CC1CN(C)S(=O)(=O)c2ccc(N)cc21,CHEMBL2333967,6.53
+CC(F)CNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333966,7.13
+NS(=O)(=O)c1ccc2c(c1)CCCN2,CHEMBL2333965,7.09
+C=CCNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333964,6.02
+CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,CHEMBL303846,4.59
+COc1cc2ccc(=O)oc2c(OC)c1OC,CHEMBL253551,4.74
+COc1c(O)ccc2ccc(=O)oc12,CHEMBL2331585,5.04
+COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2,CHEMBL479462,5.04
+COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)cc1O,CHEMBL2334355,5.04
+COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O,CHEMBL2334356,5.07
+COc1c2c(c(OC)c3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL2334350,5.08
+COc1cc2ccc(=O)oc2c(O)c1OC,CHEMBL2334351,5.11
+COc1cc2ccc(=O)oc2c(O)c1O,CHEMBL54909,5.11
+COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,CHEMBL293864,5.13
+COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C,CHEMBL1098016,5.13
+COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34,CHEMBL2334354,5.13
+C=C(C)C(COC(=O)c1cccnc1)c1c(OC)ccc2ccc(=O)oc12,CHEMBL2334352,5.13
+COc1cc2oc(=O)ccc2cc1O,CHEMBL390320,5.38
+COc1cc2ccc(=O)oc2cc1O,CHEMBL71851,5.39
+COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(OS(=O)(=O)O)c(OC)cc2-3)cc1O,CHEMBL2334357,5.75
+COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL501358,6.02
+COc1cc(OC)c2ccc(=O)oc2c1OC,CHEMBL596221,6.08
+C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL56918,6.08
+CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O,CHEMBL7121,6.09
+C=C(C)/C=C/c1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2,CHEMBL2334004,6.1
+COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL225024,6.11
+C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO,CHEMBL2334353,6.11
+COc1c2c(c3ccc(=O)oc3c1/C=C/C(C)(C)O)OC(C)(C)C=C2,CHEMBL258230,6.11
+C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O,CHEMBL2003049,6.15
+CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL1995684,6.22
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.17
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.08
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.06
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.13
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.38
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.41
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.21
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.17
+N#Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272457,5.5
+Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272458,5.13
+C/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O,CHEMBL479638,5.34
+C/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O,CHEMBL479836,5.32
+COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1F,CHEMBL449451,5.23
+O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL475278,5.37
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl,CHEMBL1782957,5.37
+O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl,CHEMBL1782958,5.26
+CCCc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL2335191,9.01
+CCc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL2335190,9.0
+CC(=O)C1=NN(c2ccccc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL2337539,9.19
+N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=S)Nc1ccccc1,CHEMBL2337538,7.93
+N#C/C(=N\Nc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337537,8.46
+N=c1oc2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337536,7.61
+N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337535,8.05
+N#C/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337534,8.19
+N#C/C(=C\c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1347917,8.2
+N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337533,8.62
+CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337532,9.03
+N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337531,9.19
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337530,8.64
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O,CHEMBL2337529,8.28
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2337528,8.64
+COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1,CHEMBL2337134,9.28
+COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337133,9.17
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL2337132,9.23
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337544,9.24
+COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1594453,9.22
+N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337543,9.18
+N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337542,9.14
+N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337541,9.07
+N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337540,9.17
+Cc1cc(Cl)ccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331760,8.46
+NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1,CHEMBL2331759,8.58
+COc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331758,8.57
+CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12,CHEMBL2331757,8.5
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1,CHEMBL2331756,8.45
+CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331755,8.54
+COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331769,8.49
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL2331768,8.65
+COc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c(C)c1,CHEMBL2331767,8.51
+Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331766,8.41
+NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2331765,8.43
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL2331764,8.49
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL2331763,8.43
+CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1,CHEMBL2331762,8.43
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL2331761,8.43
+NS(=O)(=O)c1ccc(CCN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2331569,7.49
+NS(=O)(=O)c1ccc(CN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332768,7.5
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c(Cl)c1,CHEMBL2332769,7.46
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332770,7.72
+NS(=O)(=O)c1cccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c1,CHEMBL2332771,7.15
+NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O,CHEMBL2332772,7.3
+COC(=O)CCNS(=O)(=O)Oc1ccccc1O,CHEMBL466083,4.19
+COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL2335234,4.26
+CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC,CHEMBL511132,4.18
+COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL450699,4.25
+CCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL199831,4.21
+COC(=O)[C@@H](NS(=O)(=O)N[C@H](C(=O)OC)C(C)C)C(C)C,CHEMBL471637,4.14
+COC(=O)CCNS(=O)(=O)NCCC(=O)OC,CHEMBL461137,4.15
+O=S(=O)(N1CCOCC1)N1CCOCC1,CHEMBL388326,5.04
+O=S(=O)(NC1CCCCC1)NC1CCCCC1,CHEMBL388325,6.15
+O=S(=O)(NC1CC1)NC1CC1,CHEMBL229189,6.11
+CCCCNS(=O)(=O)NCCCC,CHEMBL229137,6.16
+O=S(=O)(NCc1ccccc1)NCc1ccccc1,CHEMBL229190,4.09
+CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL375030,6.04
+CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1,CHEMBL229904,6.05
+CCCN(CCC)S(N)(=O)=O,CHEMBL229954,5.45
+NS(=O)(=O)NCc1ccccc1,CHEMBL168526,6.03
+CCCC(CCC)COS(N)(=O)=O,CHEMBL2335233,6.05
+CCCCCCOS(N)(=O)=O,CHEMBL2335232,6.14
+NS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2348438,8.03
+NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2348439,8.15
+N#CNC(=S)S,CHEMBL2380755,6.15
+S=C(S)SCc1ccccc1,CHEMBL2380754,8.17
+S=C(S)OC1CC2CC1C1CCCC21,CHEMBL404954,6.08
+S=C(S)OCCC12CC3CC(CC(C3)C1)C2,CHEMBL2380753,6.13
+S=C(S)OCC12CC3CC(CC(C3)C1)C2,CHEMBL2380752,6.12
+S=C(S)OCCc1ccccn1,CHEMBL2380751,8.44
+S=C(S)OCC(c1ccccc1)c1ccccc1,CHEMBL2380750,7.2
+S=C(S)OCc1ccccc1,CHEMBL2380749,8.22
+CC(C)(C)OC(=O)NCCCCCCOC(=S)S,CHEMBL2380748,6.13
+CC(C)(C)OC(=O)NCCCCOC(=S)S,CHEMBL2380747,6.15
+CN(C)CCOCCOC(=S)S,CHEMBL2380746,6.21
+CN(C)CCOC(=S)S,CHEMBL2380745,6.13
+S=C(S)OC1CCCCC1,CHEMBL2380744,7.12
+S=C(S)OC1CCCC1,CHEMBL2380743,7.13
+CCCCCCCCOC(=S)S,CHEMBL2380742,6.09
+CCCCCOC(=S)S,CHEMBL2380741,6.12
+CC(C)CCOC(=S)S,CHEMBL2380740,6.25
+CC(C)OC(=S)S,CHEMBL2380739,6.16
+CCOC(=S)S,CHEMBL2380738,6.09
+COC(=S)S,CHEMBL2380737,6.09
+COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC,CHEMBL2387066,5.82
+COc1cccc(CCNS(N)(=O)=O)c1OC,CHEMBL2387067,7.33
+COc1ccc(CCNS(N)(=O)=O)cc1OC,CHEMBL2387068,7.36
+COc1ccc(CCNS(N)(=O)=O)cc1,CHEMBL2387069,7.68
+COc1ccccc1CCNS(N)(=O)=O,CHEMBL2387070,6.38
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,5.83
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,4.97
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1,CHEMBL2391081,4.61
+COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2402764,9.2
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1,CHEMBL2402763,9.13
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1,CHEMBL2402762,8.6
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1,CHEMBL2402761,8.47
+COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1518649,9.37
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402760,9.08
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL1898609,8.47
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402759,8.41
+COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402758,9.03
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402757,8.82
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402756,9.24
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402755,8.35
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1,CHEMBL2402754,9.27
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1,CHEMBL2402753,9.04
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1,CHEMBL2402752,8.64
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1,CHEMBL2402777,8.32
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1,CHEMBL2402776,9.62
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1,CHEMBL2402775,8.89
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1,CHEMBL2402774,8.51
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1,CHEMBL2402773,8.18
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1,CHEMBL2402772,8.74
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1,CHEMBL2402771,9.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(F)c1,CHEMBL2402770,8.38
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1,CHEMBL2402769,8.2
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402768,9.19
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1,CHEMBL2402767,8.68
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402766,7.14
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402765,8.1
+N#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F,CHEMBL2414076,6.62
+CS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1,CHEMBL2414075,8.47
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)s1,CHEMBL2414074,8.02
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl,CHEMBL2414073,7.23
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1,CHEMBL2414072,8.18
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1,CHEMBL2414071,7.61
+N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414070,8.22
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1,CHEMBL2414069,7.52
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1,CHEMBL2413089,6.97
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1,CHEMBL2414068,8.13
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414067,8.08
+CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414066,7.34
+Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414065,8.06
+Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414064,8.21
+NS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1,CHEMBL2414077,8.14
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,8.3
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Br)c1,CHEMBL2424829,8.19
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Cl)c1,CHEMBL2424828,8.23
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(F)c1,CHEMBL2424827,8.12
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O,CHEMBL2424826,6.71
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1,CHEMBL2424825,7.72
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424832,7.99
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424831,7.91
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424830,8.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,CHEMBL574782,7.15
+CCC[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL2430111,7.11
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL573127,7.68
+NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1,CHEMBL574780,7.92
+CSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436875,7.26
+CCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436874,7.77
+CCOC(=O)CCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436873,7.65
+CCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436872,7.41
+Cc1nn(-c2ccncc2S(N)(=O)=O)c(C)c1C,CHEMBL2436871,7.56
+Cc1cc(C)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436870,7.47
+NS(=O)(=O)c1cnccc1N1CCC(Cc2ccccc2)CC1,CHEMBL2436869,6.78
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL2436868,7.12
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2436867,7.52
+NS(=O)(=O)c1cnccc1N1CCN(c2ncccn2)CC1,CHEMBL2436884,7.46
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1,CHEMBL2436883,7.06
+Cc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1,CHEMBL2436882,6.11
+COc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1,CHEMBL2436881,6.24
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL2436880,6.53
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2F)CC1,CHEMBL2436879,6.49
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1,CHEMBL2436878,6.32
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2436877,6.26
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1,CHEMBL2436876,6.38
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,7.64
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,8.35
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,8.3
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,7.81
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,7.76
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,8.34
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,8.0
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1,CHEMBL386049,8.19
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,CHEMBL574783,6.67
+Cc1nccn1CCCNS(N)(=O)=O,CHEMBL3087327,7.43
+NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-],CHEMBL3087324,7.42
+Cc1ncc([N+](=O)[O-])n1CCOS(N)(=O)=O,CHEMBL3085793,8.05
+Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,CHEMBL3087323,8.09
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3087322,8.12
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087321,8.07
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087320,8.11
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3087319,8.1
+NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+](=O)[O-])c1,CHEMBL3087318,8.1
+NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087317,8.17
+NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087316,8.09
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087315,7.19
+Oc1ccccc1CNc1ccccc1NCc1ccccc1O,CHEMBL3092750,6.43
+Oc1ccccc1CNCCCCCCNCc1ccccc1O,CHEMBL3092749,7.33
+Oc1ccccc1CNCCCCCNCc1ccccc1O,CHEMBL3092748,6.77
+Oc1ccccc1CNCCCCNCc1ccccc1O,CHEMBL3092747,7.43
+Oc1ccccc1CNCCCNCc1ccccc1O,CHEMBL1467754,7.4
+Oc1ccccc1CNCCNCc1ccccc1O,CHEMBL256208,6.77
+O=[N+]([O-])c1ccccc1/C=N/CCCCCC/N=C/c1ccccc1[N+](=O)[O-],CHEMBL3092746,4.81
+COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O)c1O,CHEMBL3092752,5.83
+Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O,CHEMBL1985188,5.93
+Oc1ccccc1/C=N/CCCCCC/N=C/c1ccccc1O,CHEMBL1163022,6.37
+Oc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O,CHEMBL3092751,6.27
+Oc1ccccc1/C=N/CCCC/N=C/c1ccccc1O,CHEMBL593618,6.06
+Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O,CHEMBL593165,6.02
+Oc1ccccc1/C=N/CC/N=C/c1ccccc1O,CHEMBL594100,6.55
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092810,7.5
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092811,7.36
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092812,7.21
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092813,7.27
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3092814,7.21
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092815,7.46
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092816,7.63
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092817,7.51
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092818,8.02
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092819,8.27
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL437092,8.01
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL272877,7.44
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092934,7.21
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092935,7.36
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092936,7.14
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092938,7.14
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3092937,7.26
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092939,7.07
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092940,7.28
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092941,7.28
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092942,7.3
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092943,8.13
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL269852,7.17
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL270990,7.4
+C#Cc1cccc(S(N)(=O)=O)c1,CHEMBL1232090,7.53
+C#Cc1ccc(S(N)(=O)=O)cc1,CHEMBL272881,7.35
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,8.17
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,6.94
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104164,6.35
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104163,6.35
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104162,6.28
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104161,6.27
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104160,6.5
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104159,6.47
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104158,6.37
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104157,7.01
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104156,6.87
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104155,7.96
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104065,7.55
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104064,7.4
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104063,6.66
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104062,7.3
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104061,7.34
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104060,8.09
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104059,7.55
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104058,7.59
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104057,7.08
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104056,7.41
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104055,7.4
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104054,8.19
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104053,7.42
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104052,7.37
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104051,6.49
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104050,7.27
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104049,7.17
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccccc2)cc1Cl,CHEMBL3104369,9.02
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104368,8.3
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104367,8.21
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccccc2)cc1Cl,CHEMBL3104366,7.2
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccccc2)cc1Cl,CHEMBL3104365,7.74
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104364,7.72
+NS(=O)(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1,CHEMBL3113923,6.08
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1,CHEMBL3113922,6.31
+NS(=O)(=O)c1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O,CHEMBL3113925,5.43
+NS(=O)(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,CHEMBL3113926,7.02
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL3113927,6.21
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377772,6.92
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377773,7.045
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3cccc4ccccc34)ccc2O1,CHEMBL3114104,8.24
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)ccc2O1,CHEMBL3114103,7.87
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(F)c(Cl)c3)ccc2O1,CHEMBL3114102,8.27
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)cc3)ccc2O1,CHEMBL3114101,8.37
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3cccc(Br)c3)ccc2O1,CHEMBL3114100,8.14
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3114099,8.09
+COc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3114098,8.2
+Cc1cccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3114097,7.22
+Cc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3114096,8.21
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccccc3)ccc2O1,CHEMBL3114095,8.15
+Cc1nnnn1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3114094,8.06
+O=S1(=O)C=Cc2cc(-n3cnnn3)ccc2O1,CHEMBL3114093,8.19
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Br)cc3)n[nH]c2=S)cc1,CHEMBL3121772,8.89
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1,CHEMBL3121766,8.05
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL3121765,7.25
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL3121764,7.37
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1,CHEMBL3121763,7.68
+COc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121762,7.7
+Cc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121761,7.62
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1,CHEMBL3121760,7.74
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1,CHEMBL3121759,7.2
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CHEMBL3121758,8.52
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1,CHEMBL3121757,7.35
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1,CHEMBL3121756,7.74
+COc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121755,8.42
+Cc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121754,8.31
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,CHEMBL3121753,7.9
+NS(=O)(=O)c1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121752,8.35
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1,CHEMBL3121771,8.44
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1,CHEMBL3121770,8.31
+COc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121769,8.31
+Cc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121768,8.02
+NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,CHEMBL3121767,7.98
+COc1ccc(Nc2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3120745,8.17
+Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)n1,CHEMBL3120744,8.27
+Nc1cccnc1Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3120743,7.94
+NCCCNc1nc(NCCCN)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120742,8.39
+CN(CCO)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCO)n1,CHEMBL3120741,7.91
+CC(C)(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)(C)C)n1,CHEMBL3120740,7.73
+NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CHEMBL242764,7.47
+Nc1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120739,8.41
+Cc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)c1,CHEMBL3120738,7.82
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1,CHEMBL243806,7.79
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1,CHEMBL3120750,7.6
+NCCCNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120749,8.07
+CN(CCO)c1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120748,8.68
+Cc1cccc(Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,CHEMBL3120747,8.37
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1,CHEMBL3120746,8.38
+O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Cl)cc1,CHEMBL1603618,5.54
+O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccccc1CO,CHEMBL3125556,6.6
+CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1545298,7.55
+O=C(O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125555,7.38
+C/C(CN1C(=O)c2ccccc2S1(=O)=O)=N\O,CHEMBL3125554,6.62
+O=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccc([N+](=O)[O-])cc2)no1,CHEMBL3125553,6.62
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1cccc([N+](=O)[O-])c1,CHEMBL3125552,5.7
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+](=O)[O-],CHEMBL3125551,6.01
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1,CHEMBL1450780,5.75
+O=C1c2ccccc2C(=O)N1CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125550,4.87
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc2ccccc12,CHEMBL3125549,5.6
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)c(Cl)c1,CHEMBL3125548,5.56
+O=C1c2ccccc2S(=O)(=O)N1Cc1c(F)cccc1F,CHEMBL3125547,5.88
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(F)c1,CHEMBL3125546,5.57
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1F,CHEMBL3125545,5.6
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(Br)c1,CHEMBL3125544,7.68
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1Br,CHEMBL3125543,7.6
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1,CHEMBL3125542,7.61
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-],CHEMBL1470455,7.55
+N#Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL3125564,6.82
+CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125563,7.12
+CC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL415079,6.36
+C/C=C/CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125562,6.68
+C=CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125561,7.03
+C#CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125560,6.24
+N#CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125559,6.15
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(Cl)cc3)ccc2O1,CHEMBL3127574,7.51
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(Cl)c3)ccc2O1,CHEMBL3124967,8.03
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(F)cc3)ccc2O1,CHEMBL3127573,8.11
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(F)c3)ccc2O1,CHEMBL3127572,8.14
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3127571,7.52
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(C(F)(F)F)c3)ccc2O1,CHEMBL3127570,8.05
+COc1ccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3127569,7.36
+COc1cccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3127568,8.12
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(OC(F)(F)F)cc3)ccc2O1,CHEMBL3127567,7.37
+Nc1ccccc1-c1cnnn1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3127566,8.04
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccccc3)ccc2O1,CHEMBL3127565,8.02
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(F)cc4)nn3)ccc2O1,CHEMBL3127564,8.17
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(F)c4)nn3)ccc2O1,CHEMBL3127563,8.16
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)ccc2O1,CHEMBL3127562,8.26
+Nc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL3127561,8.04
+Nc1ccccc1-c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127560,8.2
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(Cl)cc4)nn3)ccc2O1,CHEMBL3127559,7.75
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(Cl)c4)nn3)ccc2O1,CHEMBL3127558,8.12
+CC(C)(O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127557,8.24
+CC(C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127556,8.26
+O=S1(=O)C=Cc2cc(-n3cc(C4CC4)nn3)ccc2O1,CHEMBL3127555,8.23
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1cccs1,CHEMBL3126813,8.41
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126809,7.87
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126808,8.05
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126807,7.89
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126806,7.77
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126805,7.61
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126804,7.98
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126821,7.89
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126820,8.35
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126819,7.99
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126818,7.67
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126817,7.36
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(OC)cc1,CHEMBL3126816,7.97
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1,CHEMBL3126815,7.72
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126814,7.64
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126812,7.24
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126811,8.72
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126825,8.33
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126824,8.3
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126823,7.97
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126822,8.51
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126810,8.57
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccccc2)cc1,CHEMBL3235165,7.44
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccc(Cl)cc2)cc1,CHEMBL3235166,7.62
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccccc2)cc1,CHEMBL3235167,7.54
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(Cl)cc2)cc1,CHEMBL3235168,7.57
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(F)cc2)cc1,CHEMBL3235169,7.54
+Cc1ccc(C(=O)CN(/C=C/C(=O)C(F)(F)F)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3235170,7.55
+CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235171,7.62
+CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235172,7.85
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1,CHEMBL3235173,7.92
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)cc1,CHEMBL3235174,7.42
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1,CHEMBL3235175,7.68
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=S)cc1,CHEMBL3235176,7.92
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]2)cc1,CHEMBL3235177,7.46
+O=C1NS(=O)(=O)c2cc([N+](=O)[O-])ccc21,CHEMBL3233386,4.81
+Nc1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL2016952,5.56
+N#[N+][N-]c1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL3233387,6.18
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4)nn3)ccc21,CHEMBL3233388,7.06
+Cc1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233389,7.24
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4C(F)(F)F)nn3)ccc21,CHEMBL3233390,6.13
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)cc1,CHEMBL3233391,6.06
+Cc1cc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)ccc1F,CHEMBL3233392,7.09
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c(C)c1,CHEMBL3233393,6.7
+NS(=O)(=O)c1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233394,8.02
+O=C1NS(=O)(=O)c2cc(-n3cc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc21,CHEMBL3233395,6.24
+Cc1nn(C)c2nnc(S(C)(=O)=O)nc12,CHEMBL3261396,8.18
+Cc1nn(C)c2nnc(Nc3ccccc3)nc12,CHEMBL3261397,8.05
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc12,CHEMBL3237848,8.28
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12,CHEMBL3237850,8.24
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12,CHEMBL3237853,8.21
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12,CHEMBL3233061,8.09
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCNCC4)cc3)nc12,CHEMBL3237852,8.23
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN)cc3)nc12,CHEMBL3237854,8.15
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN4CCOCC4)cc3)nc12,CHEMBL3237857,8.21
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12,CHEMBL3237851,8.12
+Cc1nn(C)c2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3237855,8.1
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291105,7.62
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291106,7.52
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291107,8.08
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl,CHEMBL3291108,8.33
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291109,8.3
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291110,8.57
+Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291111,8.09
+NS(=O)(=O)c1cc(-c2nnco2)c(Cl)cc1Cl,CHEMBL3291086,8.12
+Cc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1,CHEMBL3291087,8.2
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291088,7.9
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291089,8.05
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291090,8.15
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291091,8.19
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291092,8.1
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291093,7.87
+Cc1ccc(-c2nnc(-c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cc1,CHEMBL3291094,8.09
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)s2)c(Cl)cc1Cl,CHEMBL3291095,8.27
+NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291096,8.55
+NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291097,8.37
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291098,8.44
+NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291099,7.64
+NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291100,7.48
+NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291101,7.62
+NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc32)c(Cl)cc1Cl,CHEMBL3291102,7.49
+NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl,CHEMBL3291103,7.36
+NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)cc1Cl,CHEMBL3291104,7.02
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N,CHEMBL3298343,9.13
+CCO/C=N/c1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3298344,7.5
+N=c1c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2ncn1N,CHEMBL3298345,6.68
+N#Cc1c(N)nn2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c12,CHEMBL3298346,7.15
+CCOC(=O)c1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298347,6.44
+CCOC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298348,6.74
+CC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298349,7.1
+CCOC(=O)n1c(=O)nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn21,CHEMBL3298350,8.03
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nnnc32)cc1,CHEMBL3298351,8.04
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2N=CN2NC(=O)CN=C32)cc1,CHEMBL3298352,9.12
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc(O)c(=O)nc32)cc1,CHEMBL3298353,9.04
+CC1=CC(C)=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=N1,CHEMBL3298354,8.27
+N#CC1C=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC1=N,CHEMBL3298355,9.05
+CCOC(=O)C1=C(N)N=C2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3N=CN2N=C1,CHEMBL3298838,9.08
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc4c5ccccc5nc-4nc32)cc1,CHEMBL3298839,9.14
+CC(=O)N1C(=O)/C(=N\n2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c2=N)c2ccccc21,CHEMBL3298840,9.09
+CC(=CC(=O)c1ccccc1)Nn1cnc2c(c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c1=N,CHEMBL3297802,9.03
+CC1=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC(c2ccccc2)=C1,CHEMBL3297803,8.47
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O,CHEMBL3343177,7.12
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O,CHEMBL3343178,6.68
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)NO)OC1,CHEMBL3343179,7.07
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)NO)OC1,CHEMBL3343180,7.09
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)NO)O[C@H]1C,CHEMBL3343181,7.03
+O=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3343322,7.03
+O=S(=O)(NO)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3343323,7.17
+O=S(=O)(NO)NC1C=C[C@H](O)CO1,CHEMBL3343324,7.06
+O=S(=O)(NO)NC1C=C[C@@H](O)CO1,CHEMBL3343325,6.38
+C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O,CHEMBL3343326,7.06
+NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1,CHEMBL2377780,9.17
+NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377781,9.2
+O=C(O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377782,9.18
+NS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377783,9.22
+NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377784,9.24
+O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377785,9.18
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL2377786,9.26
+NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL520850,9.28
+O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL312097,7.73
+Cc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377787,9.07
+Cc1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377788,8.39
+Cc1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377789,7.1
+CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377790,8.51
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377791,8.57
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377792,9.05
+NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377793,9.11
+NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377794,9.11
+O=C(O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377795,7.52
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377796,9.16
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377770,9.22
+O=C(O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377771,7.58
+O=C(O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377774,9.01
+NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377775,9.0
+NS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377776,9.03
+O=C(O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377777,9.0
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377778,8.96
+NS(=O)(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377779,9.0
+O=C(O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL1501298,8.92
+NS(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343261,7.23
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343262,6.21
+NS(=O)(=O)c1ccc(/N=C/c2csc3ccccc23)cc1,CHEMBL3343263,6.21
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1,CHEMBL3343264,7.24
+NS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1,CHEMBL3343265,6.46
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1,CHEMBL3343266,6.21
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3343267,6.51
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(S(=O)(=O)O)o2)cc1,CHEMBL3343268,7.26
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc(Br)c2O)cc1,CHEMBL3343269,6.3
+COc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c(O)c1,CHEMBL3343270,6.36
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343271,6.84
+COc1cc([N+](=O)[O-])ccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL3343272,8.35
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343273,7.45
+CSc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343274,6.62
+N#Cc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343275,6.91
+NS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1,CHEMBL3343276,7.26
+NS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1,CHEMBL3343277,7.89
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342247,8.05
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342248,7.03
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342249,8.05
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342250,7.22
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CC[C@@H](OS(N)(=O)=O)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342251,8.1
+COC(=O)[C@@H]1C[C@@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342252,9.0
+COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342253,7.07
+NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342254,9.0
+NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342255,7.68
+NS(=O)(=O)OC1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,CHEMBL3342256,7.07
+NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,CHEMBL3342257,7.47
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12,CHEMBL3354142,8.12
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12,CHEMBL3354141,8.11
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12,CHEMBL3354140,8.22
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL3354139,8.05
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1,CHEMBL3354138,8.03
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12,CHEMBL3354137,7.16
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3354136,8.29
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3354135,8.17
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3354134,8.25
+Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3354133,8.19
+Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3354132,8.22
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL3354131,8.23
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1,CHEMBL3354130,8.34
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1,CHEMBL3354129,9.17
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1,CHEMBL3354128,9.1
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3354127,8.02
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1,CHEMBL3354126,8.39
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356279,7.01
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356278,6.97
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356277,7.08
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356276,7.3
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356275,7.32
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356274,7.46
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3356273,7.52
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(Cl)cc1,CHEMBL3356272,6.55
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(F)cc1,CHEMBL3356271,8.13
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356270,7.69
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356269,8.14
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccccc1,CHEMBL3356268,8.18
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356267,7.01
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356266,8.26
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356265,7.52
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3356264,7.19
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3352855,7.27
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356263,7.41
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356262,7.13
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356261,7.4
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356259,6.76
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356258,6.58
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356257,6.67
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccccc1,CHEMBL3342486,7.71
+COc1ccc(NC(=S)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342487,8.25
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Cl)cc1,CHEMBL3342488,8.27
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1,CHEMBL3342489,9.02
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Br)cc1,CHEMBL3342490,9.02
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(I)cc1,CHEMBL3342491,9.09
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3342492,9.17
+Cc1ccc(-n2c(N)c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3nc2=S)cc1,CHEMBL3342493,9.16
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NS(=O)(=O)c1ccccc1,CHEMBL3342494,9.17
+Cc1ccc(S(=O)(=O)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342495,7.1
+Nc1[nH]c(=O)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342496,7.31
+Nc1[nH]c(=S)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342497,6.46
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=S)[nH]c(=S)[nH]c32)cc1,CHEMBL3342498,7.22
+CC(=S)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342499,7.54
+Cc1nc(=S)c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2[nH]1,CHEMBL3342500,8.04
+CC(=O)CC(=O)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342501,8.07
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1,CHEMBL3342502,8.02
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=O)n(C(=O)c4ccccc4)c(-c4ccccc4)nc32)cc1,CHEMBL3342503,8.08
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=O)n(C(=O)c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)nc32)cc1,CHEMBL3342504,7.82
+CC(C)(C)OC(=O)NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359164,8.14
+CC(C)(C)OC(=O)NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359165,8.19
+CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359166,8.18
+CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359167,8.24
+CC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359168,8.19
+NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359169,7.05
+NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359170,8.02
+NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359171,8.12
+NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359172,8.14
+NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359173,8.19
+NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359174,8.07
+NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359175,8.24
+NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359176,8.15
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359177,6.22
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359178,7.44
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,7.43
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,8.21
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,7.23
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,7.29
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,7.36
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,7.37
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC)cc1,CHEMBL3310911,6.54
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1,CHEMBL3310912,6.4
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1,CHEMBL3310913,7.37
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1,CHEMBL3310914,7.82
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,CHEMBL3310915,6.37
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1,CHEMBL3311023,6.39
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CHEMBL3311024,6.37
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL3311025,6.37
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL3311026,6.7
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1,CHEMBL3311027,6.45
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1,CHEMBL3311028,6.39
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL897,5.9
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1,CHEMBL3323205,9.17
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3323206,9.14
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3323207,9.2
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3323208,9.1
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323209,9.19
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3323210,9.1
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CHEMBL3323211,9.23
+COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323212,9.18
+CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323213,9.15
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329921,6.1
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329922,6.9
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329923,6.23
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329924,6.19
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329925,7.09
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329926,7.1
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329927,6.17
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL562109,7.14
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1,CHEMBL3329928,6.63
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329929,7.08
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL3329930,6.63
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1,CHEMBL3329931,7.05
+Cc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL469220,8.44
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1,CHEMBL513184,8.22
+NS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1,CHEMBL3326401,8.85
+CCCCCc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL3326402,7.91
+NS(=O)(=O)c1ccc(-n2cc(CCBr)nn2)cc1,CHEMBL3326403,8.6
+NS(=O)(=O)c1ccc(-n2cc(CCCCl)nn2)cc1,CHEMBL3326404,8.64
+NS(=O)(=O)c1ccc(-n2cc(CCCCCl)nn2)cc1,CHEMBL3326405,8.7
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326406,7.2
+NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1,CHEMBL225018,8.52
+CC(C)(C)OC(=O)NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326407,8.72
+NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326408,8.49
+Cc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326409,8.72
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(-c3ccccc3)nn2)c(F)c1F,CHEMBL3326410,8.24
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F,CHEMBL3326411,9.1
+CCCCCc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326412,7.97
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCBr)nn2)c(F)c1F,CHEMBL3326413,9.1
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCl)nn2)c(F)c1F,CHEMBL3326414,9.05
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F,CHEMBL3326415,8.96
+COC(=O)c1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326416,7.23
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CO)nn2)c(F)c1F,CHEMBL3326417,8.59
+CC(C)(C)OC(=O)NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326418,8.44
+NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326419,8.57
+C=CCN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3321764,6.99
+C=CCOC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322437,7.07
+C#CCOC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322438,6.75
+CC1=CC(OCC#N)=NS(=O)(=O)O1,CHEMBL3322439,5.54
+CC(=O)CN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3322440,6.8
+CC(=O)COC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322441,6.8
+CCOC(=O)CN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3322442,5.34
+CCOC(=O)COC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322443,5.57
+CC1=CC(=O)N(Cc2ccccc2[N+](=O)[O-])S(=O)(=O)O1,CHEMBL3322444,5.66
+CC1=CC(OCc2ccccc2[N+](=O)[O-])=NS(=O)(=O)O1,CHEMBL3322445,5.55
+CC1=CC(=O)N(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322446,6.75
+CC1=CC(OCc2cccc([N+](=O)[O-])c2)=NS(=O)(=O)O1,CHEMBL3322447,6.87
+CC1=CC(OCc2ccccc2Br)=NS(=O)(=O)O1,CHEMBL3322448,6.74
+CC1=CC(=O)N(Cc2cccc(Br)c2)S(=O)(=O)O1,CHEMBL3322449,6.77
+CC1=CC(=O)N(Cc2ccccc2F)S(=O)(=O)O1,CHEMBL3322450,6.74
+CC1=CC(=O)N(Cc2cccc(F)c2)S(=O)(=O)O1,CHEMBL3322451,7.74
+CC1=CC(OCc2cccc(F)c2)=NS(=O)(=O)O1,CHEMBL3322452,7.04
+CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1,CHEMBL3322453,6.77
+CC1=CC(=O)N(Cc2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3322522,6.87
+CC1=CC(=O)N(CC(=O)c2ccccc2)S(=O)(=O)O1,CHEMBL3322523,7.78
+CC1=CC(OCC(=O)c2ccccc2)=NS(=O)(=O)O1,CHEMBL3322524,6.9
+CC1=CC(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322525,7.79
+Cc1nonc1S(N)(=O)=O,CHEMBL3309352,8.23
+Cc1c(S(N)(=O)=O)no[n+]1[O-],CHEMBL3309353,8.09
+C=C1NO[N+]([O-])=C1S(N)(=O)=O,CHEMBL3309354,8.12
+NS(=O)(=O)c1nonc1-c1ccccc1,CHEMBL3309355,8.1
+NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1,CHEMBL1215508,8.0
+NS(=O)(=O)c1c(-c2ccccc2)no[n+]1[O-],CHEMBL1215509,8.12
+COc1nonc1S(N)(=O)=O,CHEMBL3309356,7.58
+CCOc1nonc1S(N)(=O)=O,CHEMBL3309357,8.18
+CCCCOc1nonc1S(N)(=O)=O,CHEMBL3309358,7.63
+CC(C)COc1nonc1S(N)(=O)=O,CHEMBL3309359,8.15
+NS(=O)(=O)c1nonc1OCc1ccccc1,CHEMBL3309360,8.1
+NS(=O)(=O)c1nonc1Oc1ccccc1,CHEMBL3309361,8.2
+NS(=O)(=O)c1ccc(-c2nonc2-c2ccccc2)cc1,CHEMBL3309362,8.19
+NS(=O)(=O)c1ccc(-c2no[n+]([O-])c2-c2ccccc2)cc1,CHEMBL3309363,8.08
+NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309364,8.15
+NS(=O)(=O)c1ccc(-c2nonc2[N+](=O)[O-])cc1,CHEMBL3309365,7.11
+NS(=O)(=O)c1ccc(-c2c([N+](=O)[O-])no[n+]2[O-])cc1,CHEMBL3309366,7.08
+NS(=O)(=O)c1ccc(-c2nonc2Oc2ccccc2)cc1,CHEMBL3309367,8.21
+NS(=O)(=O)c1ccc(-c2c(Oc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309368,8.2
+NS(=O)(=O)c1ccc(-c2nonc2Sc2ccccc2)cc1,CHEMBL3309369,8.41
+NS(=O)(=O)c1ccc(-c2c(Sc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309370,8.42
+NS(=O)(=O)c1ccc(-c2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309371,8.21
+NS(=O)(=O)c1ccc(-c2c(S(=O)(=O)c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309372,8.22
+NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1,CHEMBL3309373,7.15
+NS(=O)(=O)c1ccc(OC=C2NO[N+]([O-])=C2c2ccccc2)cc1,CHEMBL3309374,7.14
+NC(=O)c1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309375,7.55
+NC(=O)C1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309376,7.52
+N#Cc1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309377,8.25
+N#CC1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309378,8.23
+NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309853,8.51
+NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309854,8.54
+O=S1(=O)C=Cc2cc(-c3ccccc3)ccc2O1,CHEMBL3402833,8.31
+Cc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402834,7.85
+Cc1ccccc1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3402835,8.23
+O=S1(=O)C=Cc2cc(-c3ccc(F)cc3)ccc2O1,CHEMBL3402836,8.34
+O=S1(=O)C=Cc2cc(-c3cccc(F)c3)ccc2O1,CHEMBL3402837,8.03
+COc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402838,7.98
+CC(C)Oc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402839,8.1
+O=S1(=O)C=Cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2O1,CHEMBL3402840,8.46
+CC(C)(C)c1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402841,8.17
+O=S1(=O)C=Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3402842,8.43
+O=S1(=O)C=Cc2cc(-c3cccc(C(F)(F)F)c3)ccc2O1,CHEMBL3402843,8.21
+COC(=O)c1cccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3402844,8.04
+O=S1(=O)C=Cc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1,CHEMBL3402845,8.24
+CCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,CHEMBL3356722,6.2
+CCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12,CHEMBL3401462,8.42
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261387,6.2
+CCOc1ccc(S(=O)(=O)NC(C)(CO)CO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401463,7.39
+CCOc1ccc(S(=O)(=O)NC(C)(C)CO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401464,6.22
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401465,8.26
+CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261388,6.21
+CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261389,7.52
+CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261390,6.24
+CCOc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261391,6.22
+CCOc1ccc(S(=O)(=O)N2CCCNCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261392,6.18
+CCOc1ccc(S(=O)(=O)NCCN)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261393,7.24
+CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261394,7.23
+CCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3357169,6.55
+CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261395,8.14
+CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402958,7.87
+CCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402959,8.1
+CCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL1338403,8.07
+C=CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402960,8.17
+C#CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402961,8.64
+NS(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL3402962,7.98
+NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1,CHEMBL3402963,8.1
+NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL3402964,9.12
+NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1,CHEMBL3402965,8.19
+NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3402966,9.14
+NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1,CHEMBL3402967,8.92
+NS(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1,CHEMBL3402968,7.47
+NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1,CHEMBL3402969,7.3
+NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1,CHEMBL3402970,7.97
+NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1,CHEMBL3402971,8.6
+NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1,CHEMBL3402972,8.21
+C#CCN(CC#C)c1ccc(S(N)(=O)=O)cc1,CHEMBL3402973,8.31
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F,CHEMBL3402974,8.39
+CN(C)CCNC(=S)S,CHEMBL3400797,8.04
+OCCCNC(=S)S,CHEMBL3400798,8.19
+OCCCCNC(=S)S,CHEMBL3400799,8.08
+OCCCCCNC(=S)S,CHEMBL3400800,8.33
+S=C(S)NC1CN2CCC1CC2,CHEMBL3400801,7.04
+S=C(S)N[C@H]1CN2CCC1CC2,CHEMBL3400802,7.05
+S=C(S)N[C@@H]1CN2CCC1CC2,CHEMBL3400803,7.03
+S=C(S)N1CCCCC1,CHEMBL3400804,7.27
+OC1CCCN(C(=S)S)C1,CHEMBL3400805,7.34
+O=C(O)C1CCCCN1C(=S)S,CHEMBL3400156,7.29
+O=C(O)C1CCCN(C(=S)S)C1,CHEMBL3400806,7.48
+O=C(O)[C@@H]1CCCN(C(=S)S)C1,CHEMBL3400807,7.18
+O=C(O)[C@H]1CCCN(C(=S)S)C1,CHEMBL3400808,7.61
+O=C(O)C1CCN(C(=S)S)CC1,CHEMBL3400809,7.45
+CC(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400810,8.08
+CC(C)(C)C(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400811,9.12
+CC1COCCN1C(=S)S,CHEMBL3400812,7.04
+O=C(O)C1COCCN1C(=S)S,CHEMBL3400813,8.1
+O=C(CN1CCN(C(=S)S)CC1)NC1CCCCC1,CHEMBL3400814,6.38
+S=C(S)NCCc1ccccc1,CHEMBL3400815,7.82
+NS(=O)(=O)c1ccc(CCNC(=S)S)cc1,CHEMBL3400816,8.41
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CHEMBL3416226,6.37
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,CHEMBL3416228,7.1
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CHEMBL3416229,7.64
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL2408560,7.21
+NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1,CHEMBL3040927,8.34
+Cc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1,CHEMBL3416230,7.97
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)S2)cc1,CHEMBL3416235,8.0
+O=C1N=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S/C1=C/c1coc2ccccc2c1=O,CHEMBL3416237,7.07
+O=C1N=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S/C1=C/c1coc2ccccc2c1=O,CHEMBL3416240,6.26
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccccc2)cc1,CHEMBL3416241,8.28
+Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)no1,CHEMBL3416242,8.01
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccc(Cl)cc2)cc1,CHEMBL3416247,8.2
+COc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423252,5.98
+Cc1cccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423251,5.96
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2)cc1,CHEMBL3423250,5.85
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)cc(Br)c2O)cc1,CHEMBL3423249,6.08
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2O)cc1,CHEMBL3421649,7.33
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)ccc2O)cc1,CHEMBL3423253,6.4
+Cc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423254,5.96
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1,CHEMBL3423255,5.67
+NS(=O)(=O)c1ccc(CC/N=C\c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423256,5.83
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423257,5.71
+CN(C)c1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423258,5.51
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423267,7.95
+CN(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423268,7.37
+NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1,CHEMBL3423259,7.04
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3423260,7.07
+NS(=O)(=O)c1ccc(CCNCc2ccccc2)cc1,CHEMBL3264980,8.2
+Cc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423261,7.98
+COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423262,7.42
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1,CHEMBL3423263,7.95
+Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423264,8.24
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1,CHEMBL3423265,8.02
+NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423266,8.07
+C[N+](C)(C)c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426529,8.06
+CC(=O)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426530,8.43
+CC(C)(C)C(=O)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426531,8.49
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1,CHEMBL3426532,8.09
+Cc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3426533,8.62
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1Br,CHEMBL3426534,8.15
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1I,CHEMBL3426535,8.32
+O=C(Cc1ccccc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426536,8.4
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccs1,CHEMBL3426537,8.21
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccco1,CHEMBL3426538,8.21
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccnc1,CHEMBL3426539,8.17
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccncc1,CHEMBL3426540,8.68
+COc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426541,7.96
+N#Cc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426542,7.58
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC)cc1,CHEMBL3586211,6.02
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCC(C)C2)cc1,CHEMBL3586212,6.1
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)cc1,CHEMBL3586213,6.59
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1,CHEMBL3586214,6.38
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1,CHEMBL3586215,7.18
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1,CHEMBL3586216,6.52
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,CHEMBL3586217,7.15
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1,CHEMBL3586218,6.98
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1,CHEMBL3586219,8.0
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1,CHEMBL3586220,7.46
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3586221,6.69
+CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585758,7.03
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585757,7.09
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(Cl)c1,CHEMBL3585756,7.1
+CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585755,7.15
+CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585754,7.11
+CCOc1ccc(S(=O)(=O)NC[C@@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585753,7.11
+CCOc1ccc(S(=O)(=O)NC[C@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585752,7.08
+CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585751,7.04
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585750,7.11
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585749,7.11
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CHEMBL3585748,6.27
+Nc1cc(=O)nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)[nH]1,CHEMBL3594404,8.09
+NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(=O)cc(O)[nH]3)sc2c1,CHEMBL3594405,8.08
+Nc1nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)nc2n[nH]cc12,CHEMBL3594406,8.02
+Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594407,8.24
+Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)n2N)cc1Cl,CHEMBL3594408,8.09
+Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594409,8.11
+NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1,CHEMBL3594410,8.14
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1N,CHEMBL3594411,8.03
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(N)c1C#N,CHEMBL3594412,8.2
+Nc1ncnc2c1cnn2CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594413,8.24
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2ncnc(N)c12,CHEMBL3594414,8.18
+NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c(=O)nc[nH]c43)sc2c1,CHEMBL3594415,8.17
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2[nH]cnc(=O)c12,CHEMBL3594416,8.13
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1NC(=S)Nc1ccccc1,CHEMBL3594417,8.28
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(NC(=S)Nc2ccccc2)c1C#N,CHEMBL3594418,8.25
+NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(S(N)(=O)=O)cc4s3)sc2c1,CHEMBL3594419,8.32
+NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(C(=S)Nc4nc5ccc(S(N)(=O)=O)cc5s4)CC3)sc2c1,CHEMBL3594420,8.37
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)NCCN/C(=N/c1nc2ccc(S(N)(=O)=O)cc2s1)SC,CHEMBL3594421,8.32
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)N1CCN(/C(=N/c2nc3ccc(S(N)(=O)=O)cc3s2)SC)CC1,CHEMBL3594422,8.32
+CCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL1412304,5.35
+CCCCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL3593604,5.26
+CC(C)(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL3593605,4.68
+CC(C)c1cc(C(C)C)c(-c2cc(C(=O)O)[nH]n2)c(C(C)C)c1,CHEMBL3593610,4.41
+O=C(O)c1cc(-c2ccc3c(c2)CCCC3)n[nH]1,CHEMBL3593611,4.36
+O=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1,CHEMBL347000,5.26
+O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1,CHEMBL3593612,5.4
+O=C(O)c1cc(-c2ccc(N3CCCC3)cc2)n[nH]1,CHEMBL3593613,4.47
+O=C(O)c1cc(-c2ccc(F)cc2)n[nH]1,CHEMBL1604946,4.41
+O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1,CHEMBL129261,4.3
+O=C(O)c1cc(-c2ccc(O)cc2)n[nH]1,CHEMBL1528711,4.39
+COc1ccccc1-c1cc(C(=O)O)[nH]n1,CHEMBL3593800,4.3
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3601602,8.05
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1,CHEMBL3601881,7.53
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1,CHEMBL3601882,7.56
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CCCCC2)cc1,CHEMBL3601883,8.19
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1,CHEMBL3601884,8.15
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1,CHEMBL3601885,8.17
+N#Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601886,8.24
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3F)n2C2CCCCC2)cc1,CHEMBL3601887,8.26
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1,CHEMBL3601888,8.08
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1,CHEMBL3601889,8.28
+Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601890,8.21
+COc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601891,8.21
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1,CHEMBL3601892,9.34
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1,CHEMBL3601893,8.2
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL3601530,9.0
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3601531,9.0
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3601532,7.19
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3601533,7.07
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601534,7.45
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1C,CHEMBL3601535,9.0
+COc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601536,7.43
+COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1,CHEMBL3601537,8.96
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(Br)cc4)n3)CC2)cc1,CHEMBL3601538,9.0
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1,CHEMBL3601539,9.0
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cc5ccccc5o4)n3)CC2)cc1,CHEMBL3601540,9.0
+O=C(Nc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL3601541,8.1
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,CHEMBL3601542,8.15
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1,CHEMBL3601543,8.2
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3601544,8.07
+Cc1cccc(N2CCN(C(=O)Nc3ccc(O)cc3)CC2)c1,CHEMBL3601545,8.02
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601390,8.03
+CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601464,8.29
+CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601463,8.41
+CC(=O)N1N=C(c2ccc(F)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601462,9.24
+COc1ccc(C2=NN(C(C)=O)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601461,9.27
+CC(=O)N1N=C(c2ccc(C)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601460,8.4
+CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601459,9.24
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601395,9.33
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601394,7.25
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601393,8.52
+COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601392,8.23
+Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601391,8.15
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL3604420,7.92
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1,CHEMBL3604419,7.31
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1,CHEMBL3604418,7.0
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1,CHEMBL3604417,6.94
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1,CHEMBL3604416,6.13
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1,CHEMBL3604415,7.96
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL3604414,7.28
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1,CHEMBL3604413,6.56
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1,CHEMBL3604412,8.04
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL3604411,8.05
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL3604410,8.02
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL3604409,8.06
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL3604408,7.96
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL3604407,7.22
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1,CHEMBL3604406,6.02
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)O)cc1,CHEMBL3604405,6.07
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1,CHEMBL3604509,7.11
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1,CHEMBL3604510,7.92
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1,CHEMBL3604511,7.92
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL3604512,7.92
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1,CHEMBL3604513,7.92
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(N)=O)cc1,CHEMBL3604514,7.1
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(N)=O)cc1,CHEMBL3604515,7.37
+Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1,CHEMBL3608870,8.07
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1,CHEMBL3608871,8.21
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1,CHEMBL3608872,8.06
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1,CHEMBL3608873,7.37
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1,CHEMBL3608874,8.16
+Cc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1,CHEMBL3608875,6.61
+Cc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608876,6.42
+Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608877,5.86
+COc1ccc(-c2cnc(C)o2)cc1S(N)(=O)=O,CHEMBL3608878,5.45
+COc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608879,5.1
+COc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608880,7.2
+Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608881,5.55
+Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608882,6.25
+COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608883,5.07
+Cc1ncc(-c2ccc(S(N)(=O)=O)s2)o1,CHEMBL3608885,8.03
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1,CHEMBL3608886,8.04
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1,CHEMBL3608887,8.29
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1,CHEMBL3608888,8.17
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1,CHEMBL3608889,7.52
+Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1,CHEMBL3608890,8.44
+NS(=O)(=O)c1cc(-c2cnc(C3CC3)o2)cs1,CHEMBL3608891,8.06
+NS(=O)(=O)c1cc(-c2cnc(C3CCC3)o2)cs1,CHEMBL3608892,8.18
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1,CHEMBL3608893,7.19
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1,CHEMBL3608894,8.04
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1,CHEMBL3609195,7.2
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL1736901,6.83
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL3609196,6.78
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3609197,7.31
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3609198,7.33
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3609199,7.04
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3609200,7.42
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL3609201,6.89
+COc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609475,6.95
+COc1cccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1,CHEMBL3609476,6.82
+COc1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL1714980,6.74
+CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL3609477,6.92
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,CHEMBL3609478,6.84
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1,CHEMBL3609479,6.61
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,CHEMBL3609480,6.75
+N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609481,7.77
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,CHEMBL3609482,7.75
+NS(=O)(=O)ONC(=O)OCc1ccccc1,CHEMBL3609430,7.31
+NOS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3609431,6.25
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O,CHEMBL3609432,7.41
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O,CHEMBL3609433,7.37
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609434,7.37
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609435,7.62
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)O[C@H]1C,CHEMBL3609436,7.62
+NOS(=O)(=O)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3608320,7.24
+NOS(=O)(=O)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3609437,7.1
+NOS(=O)(=O)NC1C=C[C@H](O)CO1,CHEMBL3609438,7.39
+NOS(=O)(=O)NC1C=C[C@@H](O)CO1,CHEMBL3609439,7.54
+C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O,CHEMBL3609440,7.25
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613283,7.29
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613284,7.12
+CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H]1OC(C)=O,CHEMBL3613285,6.2
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL3613286,7.11
+NS(=O)(=O)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3613287,7.04
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL3623631,6.46
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL3623632,6.3
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(N)cc1,CHEMBL3623633,6.21
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(N)c1,CHEMBL3623634,7.52
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL3623635,6.19
+Cc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623636,6.28
+COc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623637,6.04
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3623638,6.07
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)c(C)c1,CHEMBL3623639,6.59
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL3623640,6.43
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL3623641,5.99
+Cc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623642,6.11
+COc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623643,6.04
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1,CHEMBL3623644,6.25
+Cc1cc(C)c(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)c(C)c1,CHEMBL3623645,6.28
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL3623646,6.08
+O=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1,CHEMBL3623663,8.31
+O=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1,CHEMBL3623664,8.29
+O=c1ccc2ccc(OCc3cn(-c4cccc(Cl)c4)nn3)cc2o1,CHEMBL3623665,8.26
+O=c1ccc2ccc(OCc3cn(-c4cccc(Br)c4)nn3)cc2o1,CHEMBL3623666,7.57
+COc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1,CHEMBL3623667,8.28
+O=c1ccc2ccc(OCc3cn(-c4ccc(F)cc4)nn3)cc2o1,CHEMBL3623668,8.33
+O=c1ccc2ccc(OCc3cn(-c4ccc(C(F)(F)F)cc4)nn3)cc2o1,CHEMBL3623669,8.26
+O=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1,CHEMBL3623670,8.28
+O=C(O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623671,8.31
+NS(=O)(=O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623672,8.0
+Cc1cc(=O)oc2cc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)ccc12,CHEMBL3623673,7.42
+Cc1cc(=O)oc2cc(-n3cc(COc4ccccc4)nn3)ccc12,CHEMBL3623674,8.3
+Cc1cc(=O)oc2cc(-n3cc(CSc4ccccc4)nn3)ccc12,CHEMBL3623675,8.29
+Cc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12,CHEMBL3623676,8.31
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,7.22
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,7.38
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL150,6.84
+O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,CHEMBL9352,7.35
+O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,CHEMBL8996,7.51
+COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,CHEMBL399121,6.34
+O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CHEMBL337309,7.49
+O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,CHEMBL8145,7.25
+COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CHEMBL131921,7.28
+O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,CHEMBL486386,6.29
+C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL2262641,7.36
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL233930,8.31
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL266564,6.87
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1O,CHEMBL3628129,6.39
+CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O,CHEMBL3628130,6.4
+O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL457077,7.4
+O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL518243,8.32
+O=C(/C=C/c1cc(O)cc2c1[C@H](C(O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL541265,6.34
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,5.09
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,4.64
+COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O,CHEMBL457076,5.05
+COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,CHEMBL481245,5.07
+COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O,CHEMBL3628210,4.53
+O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1,CHEMBL1095574,4.53
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,4.9
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,4.98
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2-c2ccccc2)cc1,CHEMBL3633379,7.04
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2-c2ccccc2)cc1,CHEMBL3633380,7.18
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc2-c2ccccc2)cc1,CHEMBL3633381,7.08
+Cc1ccc2c(c1)/C(=N/NC(=O)c1cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n1)C(=O)N2,CHEMBL3633382,6.61
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633383,7.13
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)c2-c2ccccc2)cc1,CHEMBL3633384,7.35
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)c2-c2ccccc2)cc1,CHEMBL3633385,7.04
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-c1ccccc1)C(=O)N2,CHEMBL3633386,7.13
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c2-c2ccccc2)cc1,CHEMBL3633547,8.43
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633548,8.19
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633549,7.42
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633550,7.64
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633551,7.25
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1N)C(=O)N2,CHEMBL3633552,7.08
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633553,8.27
+Nc1c(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633554,8.14
+COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632825,7.45
+CC(C)(C)OC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632826,7.35
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3632827,7.28
+NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632828,8.08
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCO)cc2)cc1,CHEMBL3632829,7.58
+NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3632830,8.13
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,CHEMBL3632832,8.13
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1,CHEMBL3632833,7.09
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1,CHEMBL3632834,7.11
+COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632835,8.14
+COC(=O)c1ccc(C(O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632836,8.17
+COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632837,6.63
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632838,7.34
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632839,7.03
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632840,7.04
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632841,7.15
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632842,8.09
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632843,8.03
+Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632844,7.6
+Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632845,8.09
+Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON,CHEMBL3654432,8.09
+Cc1ncc([N+](=O)[O-])n1CCOS(=O)(=O)ON,CHEMBL3654431,8.05
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3739554,6.64
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3740241,7.36
+COc1cc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)cc1OC,CHEMBL3740966,7.33
+O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3740937,7.24
+Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)c1,CHEMBL3740404,7.39
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741546,7.35
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3742377,7.55
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741601,8.39
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,CHEMBL3740022,7.28
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CHEMBL3740074,7.56
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O,CHEMBL3742007,7.31
+O=C(O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3740170,7.25
+CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741953,7.73
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3741011,8.15
+NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1,CHEMBL3741975,8.39
+NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1,CHEMBL3740300,7.69
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc(S(N)(=O)=O)c5)nn4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3740484,7.97
+COC(=O)CCNS(=O)(=O)NCCc1ccccc1,CHEMBL3752390,7.19
+COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752196,7.13
+COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL3754723,7.22
+COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1,CHEMBL3754060,8.28
+CCCCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL3754185,8.3
+COC(=O)CCNS(=O)(=O)NCC(C)C,CHEMBL3752852,8.33
+COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C,CHEMBL3752046,9.13
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752328,9.18
+COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C,CHEMBL3754636,7.47
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C,CHEMBL3752037,8.17
+O=S(=O)(O)NC1CCCCC1,CHEMBL273977,8.42
+Cc1ccc2c(n1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752481,7.46
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1,CHEMBL3754807,7.75
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752163,7.81
+COc1ccc2c(c1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752794,7.31
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1,CHEMBL3753359,7.12
+Cc1ccc2c(n1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3753066,5.21
+CN(CC(=O)O)c1ccc2c(c1)-c1cccnc1SC2,CHEMBL3752729,5.14
+COc1ccc2c(c1)SCc1ccc(NCC[C@H](N)C(=O)O)cc1-2,CHEMBL3753610,5.04
+COc1ccc2c(c1)SCc1ccc(NCC(=O)O)cc1-2,CHEMBL3753865,5.22
+COc1ccc2c(c1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3752864,5.08
+Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752602,7.2
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1,CHEMBL3753927,7.18
+COc1ccc2c(c1)SCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3751874,7.42
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752378,7.16
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,CHEMBL3760079,7.99
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1,CHEMBL3758997,7.41
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)cc1,CHEMBL408619,7.95
+Cc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758347,7.94
+COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL271911,7.95
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1,CHEMBL3758993,7.98
+Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL429915,8.0
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1,CHEMBL3759717,8.03
+NS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3758730,8.01
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758702,8.12
+CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL270671,8.06
+NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1,CHEMBL3758614,8.52
+NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3759587,7.5
+NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,CHEMBL2104196,7.7
+Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758537,6.88
+COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1579806,6.37
+NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1,CHEMBL3760099,6.67
+Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3758188,6.92
+NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1,CHEMBL248691,7.68
+NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3759307,6.39
+NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758586,6.86
+Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1489759,7.8
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1C(F)(F)F,CHEMBL3759443,7.82
+Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3758327,7.59
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1,CHEMBL3759629,7.77
+Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL3759375,8.29
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1,CHEMBL3760060,8.33
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1,CHEMBL3759608,7.39
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)cc1,CHEMBL3759331,8.36
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Br)cc1,CHEMBL3758923,8.37
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1,CHEMBL3759882,7.54
+COc1cccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3759447,8.22
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1,CHEMBL1391313,7.39
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1Cl,CHEMBL1472681,8.41
+CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1,CHEMBL3759099,8.31
+CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1,CHEMBL3758373,8.35
+CC1=CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3758420,8.37
+COc1cccc(C(=O)CN2C(=O)C=C(C)OS2(=O)=O)c1,CHEMBL3760047,8.25
+CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1,CHEMBL3759518,8.44
+CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3759567,8.41
+CC1=CC(=O)N(CC(=O)c2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3759876,8.39
+CC1=CC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)O1,CHEMBL3758428,8.4
+CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1,CHEMBL3760113,8.26
+O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-],CHEMBL3758979,8.4
+O=C(O)CN1C(=O)c2ccccc2C1=O,CHEMBL2429920,8.37
+O=C1NCc2ccccc21,CHEMBL79350,8.39
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1,CHEMBL3759678,8.4
+S=c1ccc2ccccc2o1,CHEMBL3759409,4.02
+O=c1ccc2ccccc2s1,CHEMBL3760092,4.58
+S=c1ccc2ccccc2s1,CHEMBL3759932,4.02
+C#CCOc1ccc2ccc(=O)oc2c1,CHEMBL308819,6.14
+C#CCOc1ccc2ccc(=S)oc2c1,CHEMBL3758522,4.41
+S=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1,CHEMBL3758827,7.57
+C#CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL3121782,6.43
+C#CCCCOc1ccc2ccc(=S)oc2c1,CHEMBL3760055,6.39
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CHEMBL3765353,8.55
+Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3765191,8.57
+Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3764707,9.15
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3765561,8.75
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3763581,9.16
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3764098,9.27
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765057,9.24
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3765409,9.16
+Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3765390,9.2
+COc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764657,9.33
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3589744,8.63
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3589808,8.55
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3589200,9.17
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765128,8.64
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3763750,9.19
+Cc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764056,8.93
+COc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764810,8.79
+NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3764182,7.03
+Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3764580,7.33
+CC(C)c1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3763192,9.24
+NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1,CHEMBL3765495,9.24
+COC(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763795,7.71
+Nc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763967,8.37
+N#Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3763508,7.85
+NS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1,CHEMBL3763884,7.42
+COc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL3764506,7.49
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1,CHEMBL3764147,7.27
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3765255,8.31
+NS(=O)(=O)c1ccc(-c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)cc1,CHEMBL3763625,7.25
+NS(=O)(=O)c1ccc(-c2cccnc2)cc1,CHEMBL3763387,7.69
+NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1,CHEMBL3764628,6.12
+NS(=O)(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1,CHEMBL3764718,7.19
+NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1,CHEMBL3764921,8.28
+NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CHEMBL3765197,7.01
+NS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1,CHEMBL3764569,7.47
+NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1,CHEMBL3764340,8.25
+COc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc2c1,CHEMBL3765726,6.38
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3763168,8.26
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1,CHEMBL3763861,7.45
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3763880,8.57
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Br)cccc3c2=O)cc1,CHEMBL3765244,7.49
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3764181,7.65
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,CHEMBL3765404,8.34
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(I)cccc3c2=O)cc1,CHEMBL3765033,8.26
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(F)cccc3c2=O)cc1,CHEMBL3765739,8.66
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3763607,8.28
+Cc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3765657,9.22
+Cc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3765745,8.28
+Cc1cc(C)c2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764536,7.41
+COc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3763255,7.28
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3764423,7.48
+COc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764087,8.82
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1OC,CHEMBL3765532,9.17
+COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3763877,9.22
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805263,8.23
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805601,8.6
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3804879,7.84
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805080,7.26
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805133,7.88
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806010,8.48
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805723,8.37
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805545,7.61
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806081,7.42
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804902,9.27
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3806054,9.27
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804909,8.26
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805892,9.21
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805886,8.5
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3806068,8.47
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805861,7.82
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805418,8.4
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3804869,8.2
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12,CHEMBL2316106,8.67
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12,CHEMBL2316107,9.17
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12,CHEMBL2316108,8.46
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O,CHEMBL3805222,8.36
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Cl)ccc2oc1=O,CHEMBL3805906,9.18
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O,CHEMBL3805919,9.21
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1,CHEMBL3809038,9.05
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3808553,9.0
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3808953,8.43
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809966,8.26
+Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809267,8.14
+c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613514,8.14
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)n2)cc1,CHEMBL3809086,8.12
+Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613524,8.11
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3810298,8.04
+COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613544,8.03
+Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613534,7.75
+Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809848,7.14
+N#Cc1c(-c2ccc(Cl)cc2)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1=O,CHEMBL2382337,8.08
+CCC(Sc1nc(=O)c(C#N)c(-c2cccc(OC)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382405,7.62
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382402,8.11
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)cc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382401,8.04
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(F)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382403,8.04
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,9.1
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,9.28
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,8.49
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,8.41
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,8.59
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,8.23
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,8.55
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,8.49
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,8.27
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,8.43
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1,CHEMBL1433252,9.23
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1,CHEMBL1383680,9.21
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3828667,9.19
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3828207,9.27
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3828598,9.18
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3828641,8.84
+NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(I)cc3c2=O)cc1,CHEMBL3828520,9.12
+Cc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827381,8.26
+Cc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828646,9.21
+Cc1cc(C)c2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3828605,9.14
+COc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3827651,9.27
+COc1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3828241,9.33
+COc1cccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3828573,8.24
+COc1cc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC,CHEMBL3827113,9.19
+COc1cc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3827090,8.15
diff --git a/chembl_200/CHEMBL3286.csv b/chembl_200/CHEMBL3286.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b8b54736705a38ba26a326e177b0c94c334b1743
--- /dev/null
+++ b/chembl_200/CHEMBL3286.csv
@@ -0,0 +1,732 @@
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL107592,4.55
+CNC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL108354,5.32
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2)c(C(C)C)c1,CHEMBL324188,5.29
+COC(=O)C1CCCCN1C(=O)C(Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,CHEMBL105875,4.48
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1,CHEMBL319868,4.32
+COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,CHEMBL108058,5.6
+COC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL326866,6.07
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL106079,5.7
+CNC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,CHEMBL110628,4.92
+CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL322830,5.46
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1,CHEMBL318304,4.72
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1,CHEMBL104241,4.42
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCCC2)c(C(C)C)c1,CHEMBL107203,5.36
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCOCC2)c(C(C)C)c1,CHEMBL106412,5.27
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCCCC2)c(C(C)C)c1,CHEMBL320285,5.11
+COC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL318773,5.89
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCC2)c(C(C)C)c1,CHEMBL107140,4.72
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCC(C(=O)O)C2)c(C(C)C)c1,CHEMBL320257,4.77
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1,CHEMBL107210,4.24
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)O)CC2)c(C(C)C)c1,CHEMBL323452,4.28
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2C(=O)O)c(C(C)C)c1,CHEMBL106395,5.89
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL108468,6.02
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1,CHEMBL107256,4.72
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL106035,4.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C)CC2)c(C(C)C)c1,CHEMBL105935,4.28
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1,CHEMBL106869,4.14
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL107955,6.39
+N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,CHEMBL945,5.375
+N=C(N)Nc1ccccc1,CHEMBL14047,4.69
+COc1ccc2ccc(C(=N)N)cc2c1-c1cn[nH]c1,CHEMBL322652,5.64
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1,CHEMBL320233,8.68
+CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL104211,7.4
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL319047,7.04
+CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1,CHEMBL321319,7.74
+N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1,CHEMBL103043,7.492999999999999
+CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1,CHEMBL421214,8.07
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1,CHEMBL105395,6.985
+COc1ccc2ccc(C(=N)N)cc2c1-c1ccco1,CHEMBL418805,5.69
+COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(C)c1,CHEMBL102631,5.34
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,CHEMBL104166,9.205
+N=C(N)c1ccc2cccc(N)c2c1,CHEMBL319264,6.325
+N=C(N)c1ccc2ccccc2c1,CHEMBL105171,5.22
+COc1ccc2ccc(C(=N)N)cc2c1C1CCOC1,CHEMBL320817,6.28
+COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1,CHEMBL321944,6.2
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1,CHEMBL104937,6.12
+COc1ccc2ccc(C(=N)N)cc2c1-c1ccoc1,CHEMBL104904,4.09
+N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12,CHEMBL284436,6.03
+N=C(N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,CHEMBL265315,6.29
+C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N2,CHEMBL553244,4.39
+C[S+](Cc1ccc2cc1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N2)c1ccccc1,CHEMBL540392,4.05
+N=C(N)NCCCC1NC(=O)CNC(=O)c2cc(ccc2CBr)NC1=O,CHEMBL38512,4.04
+N=C(N)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(SCc2ccccc2)s1,CHEMBL422845,5.6
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccccc2)cs1,CHEMBL281899,7.025
+CS(=O)c1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2)cs1,CHEMBL344945,5.85
+COc1ccc(CSc2sc(C(=N)N)cc2-c2nc(-c3ccccc3)cs2)cc1,CHEMBL423756,5.82
+CSc1ccc(C(=N)N)s1,CHEMBL28890,5.22
+N=C(N)c1cc(-c2nc(-c3ccccc3)cs2)cs1,CHEMBL321519,5.26
+COc1ccc(-c2csc(-c3cc(C(=N)N)sc3C)n2)cc1OC,CHEMBL343884,6.77
+Cc1sc(C(=N)N)cc1-c1nc(-c2ccccc2)cs1,CHEMBL106071,6.99
+CS(=O)(=O)c1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2)cs1,CHEMBL342793,5.6
+CCc1sc(C(=N)N)cc1-c1nc(-c2ccccc2)cs1,CHEMBL441273,6.86
+COc1ccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cc1OC,CHEMBL147427,7.24
+COc1sc(C(=N)N)cc1-c1nc(-c2ccccc2)cs1,CHEMBL322207,6.27
+N=C(N)c1ccc(OCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL102148,4.75
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)cc1,CHEMBL101067,4.58
+N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101672,5.1
+CCC(=O)c1cc2ccc(C(=N)N)cc2[nH]1,CHEMBL321960,4.39
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)c(Cl)c1,CHEMBL102141,4.72
+N=C(N)c1ccc2c(ccn2Cc2ccc([N+](=O)[O-])cc2N)c1,CHEMBL101559,4.4
+N=C(N)c1ccc(Cn2ccc3ccccc32)cc1,CHEMBL100569,4.59
+N=C(N)c1ccc(OCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101261,4.92
+N=C(N)c1cccc(Cn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101726,4.44
+N=C(N)c1ccc2c(C=O)c[nH]c2c1,CHEMBL317713,4.97
+N=C(N)c1ccc(OCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL103649,5.35
+N=C(N)c1ccc2c(ccn2CCCCn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101027,5.0
+N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL99951,5.63
+N=C(N)c1ccc2c(ccn2Cc2cccc(N)c2)c1,CHEMBL319122,4.61
+CN(C)C(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107627,4.55
+CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(C(=N)N)c1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)C2,CHEMBL319035,4.31
+CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322901,4.49
+Cc1c(C)c(S(=O)(=O)N[C@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL107743,4.24
+N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL322165,4.47
+CS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107392,4.55
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL3349045,7.09
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36744,7.48
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL290577,7.82
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL287918,6.27
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291026,7.64
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288176,6.85
+CC(C)OC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL423770,4.31
+COC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL153565,4.11
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C(C)C)c1,CHEMBL154985,5.8
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1,CHEMBL153334,4.25
+CCOC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL357067,5.35
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1,CHEMBL148317,5.85
+COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153412,4.59
+COC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL347493,5.03
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL356007,6.39
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL356216,4.4
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)cc1,CHEMBL422147,4.6
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,CHEMBL104970,4.39
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL348443,4.47
+NC(N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(N)N)cc3)C2=O)cc1,CHEMBL357079,5.47
+Cc1cc(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)c(C)c1,CHEMBL358441,4.8
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1,CHEMBL348266,4.26
+CC1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153732,4.46
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL97597,4.51
+CSc1sc(C(=N)N)cc1-c1ccccc1,CHEMBL283082,6.22
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1,CHEMBL31967,4.04
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(C)cc2)cs1,CHEMBL29304,4.03
+CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1,CHEMBL29037,4.33
+COC(=O)COc1cccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1,CHEMBL28952,4.36
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1,CHEMBL29332,4.03
+CSc1sc(C(=N)N)cc1-c1csc(-c2ccccc2)n1,CHEMBL29250,6.7
+CSc1sc(C(=N)N)cc1-c1nc(C)cs1,CHEMBL285330,6.0
+N=C(N)c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1,CHEMBL282625,6.28
+CSc1sc(C(=N)N)cc1-c1nc(-c2cccs2)cs1,CHEMBL31549,4.05
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(O)c(C)c2)cs1,CHEMBL433048,4.36
+CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1,CHEMBL281898,4.0
+CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(O)c2)cs1,CHEMBL28849,4.07
+C=C1CC(c2ccc(NC(=N)N)cc2)CC(=O)O1,CHEMBL134926,6.92
+Cc1cccnc1NC(=N)N,CHEMBL52361,4.42
+N=C(N)Nc1ncc(Br)cc1Cl,CHEMBL293098,5.54
+N=C(N)Nc1cc(-c2ccccc2)ccn1,CHEMBL54467,5.15
+Cc1ccc(NC(=N)N)nc1,CHEMBL53031,4.49
+COc1ccnc(NC(=N)N)c1,CHEMBL55184,4.27
+N=C(N)Nc1ncc(Cl)cc1Br,CHEMBL55125,5.32
+Cc1c(Cl)cnc(NC(=N)N)c1Cl,CHEMBL55808,5.06
+N=C(N)Nc1ccc(Br)cn1,CHEMBL54357,5.5
+N=C(N)Nc1ncc(C(F)(F)F)cc1Cl,CHEMBL53032,4.39
+N=C(N)Nc1ccc(Cl)cn1,CHEMBL298989,5.0
+N=C(N)Nc1ccc(Cl)cc1,CHEMBL41040,5.202999999999999
+N=C(N)Nc1ccccn1,CHEMBL128047,4.535
+N=C(N)Nc1ncc(Cl)cc1Cl,CHEMBL292900,5.26
+Cc1ccnc(NC(=N)N)c1,CHEMBL54640,4.08
+COc1cccnc1NC(=N)N,CHEMBL300135,4.21
+N=C(N)Nc1ncc(Cl)cc1/C=C/C(=O)O,CHEMBL294255,5.82
+N=C(N)Nc1ncc(Cl)cc1/C=C/c1cccc(C(=O)O)c1,CHEMBL55155,6.77
+N=C(N)Nc1ncc(Cl)cc1/C=C/C1CCCCC1,CHEMBL53448,6.14
+N=C(N)Nc1ncc(Cl)cc1OCc1ccccc1,CHEMBL301324,6.04
+N=C(N)Nc1ncc(Cl)cc1Oc1ccccc1,CHEMBL53946,5.67
+N=C(N)Nc1ncc(Cl)cc1C#Cc1ccccc1,CHEMBL300030,6.11
+N=C(N)Nc1ncc(Cl)cc1/C=C/C(=O)N1CCOCC1,CHEMBL291726,5.68
+CNC(=O)/C=C/c1cc(Cl)cnc1NC(=N)N,CHEMBL54493,5.89
+N=C(N)Nc1ncc(Cl)cc1/C=C/c1ccccc1,CHEMBL55653,6.26
+COc1ccc(/C=C/c2cc(Cl)cnc2NC(=N)N)cc1,CHEMBL54894,6.16
+N=C(N)Nc1ncc(Cl)cc1/C=C/c1ccccn1,CHEMBL55256,5.8
+CN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)cnc1NC(=N)N,CHEMBL55284,5.7
+N=C(N)Nc1ncc(Cl)cc1CCC(=O)O,CHEMBL56037,5.03
+COCCOc1cc(Cl)cnc1NC(=N)N,CHEMBL54415,4.79
+N=C(N)Nc1ncc(Cl)cc1/C=C/C(=O)NCc1ccccc1,CHEMBL417754,6.11
+N=C(N)Nc1ncc(Cl)cc1OCC(=O)NCc1ccccc1,CHEMBL54827,4.79
+N=C(N)Nc1ncc(Cl)cc1/C=C/c1ccc2c(c1)OCO2,CHEMBL57779,6.31
+N=C(N)Nc1ncc(Cl)cc1OCC(=O)O,CHEMBL55816,4.04
+CN(C(=O)c1ccc2cc(C(=N)N)ccc2c1)c1ccccc1,CHEMBL111110,4.81
+COc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC)c1,CHEMBL112995,6.86
+CC(C)CC1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL323785,6.79
+N=C(N)c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1,CHEMBL110026,6.78
+CCC1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL108447,8.2
+CCC(CC)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111629,6.98
+CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109367,7.31
+COc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111042,6.63
+CC(C)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL111471,7.2
+CCc1ccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1,CHEMBL111660,6.13
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC2CCCC2)c1,CHEMBL418839,7.66
+CNC(=O)c1ccc2cc(C(=N)N)ccc2c1,CHEMBL322723,5.06
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)NCC4)ccc2c1,CHEMBL111338,7.58
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1,CHEMBL320749,6.49
+N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1,CHEMBL111575,7.575
+N=C(N)c1ccc2cc(C(=O)Cc3ccccc3)ccc2c1,CHEMBL321666,5.1
+N=C(N)c1ccc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1,CHEMBL110027,6.29
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CO)cc3)ccc2c1,CHEMBL111432,7.42
+N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)ccc2c1,CHEMBL324168,7.4
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCNC4)ccc2c1,CHEMBL111567,7.79
+CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1,CHEMBL111543,7.55
+N#Cc1ccc2cc(NC(=O)c3ccccc3)ccc2c1,CHEMBL109287,5.72
+CCOc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL108098,7.09
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,CHEMBL323387,7.45
+CC(C)C1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL442201,7.615
+CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL109535,6.91
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,CHEMBL73737,9.34
+CSc1sc(C(=N)N)cc1-c1csc(N2CCN(c3ccccc3F)CC2)n1,CHEMBL355618,5.51
+CSc1sc(C(=N)N)cc1-c1csc(Nc2cc(C)c(C)cc2C)n1,CHEMBL440932,5.96
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Cc3ccccc3)cc2)n1,CHEMBL172934,6.74
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2C(C)C)n1,CHEMBL172982,6.15
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1,CHEMBL174193,6.04
+CSc1sc(C(=N)N)cc1-c1csc(NCc2ccc(C)cc2)n1,CHEMBL173392,6.19
+CSc1sc(C(=N)N)cc1-c1csc(Nc2cccc(C)c2C)n1,CHEMBL355095,6.55
+COc1cc(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)cc(OC)c1OC,CHEMBL353478,6.8
+COc1ccc(N2CCN(c3nc(-c4cc(C(=N)N)sc4SC)cs3)CC2)cc1,CHEMBL171514,6.32
+Cc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2)n1,CHEMBL172637,6.77
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,CHEMBL173981,6.96
+COc1ccc(OC)c(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)c1,CHEMBL173065,6.18
+CSc1sc(C(=N)N)cc1-c1csc(Nc2c(Cl)cccc2Cl)n1,CHEMBL354109,5.82
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(N(C)C)cc2)n1,CHEMBL173211,6.51
+CSc1sc(C(=N)N)cc1-c1csc(Nc2cccc3ccccc23)n1,CHEMBL170410,6.3
+COc1cc(Nc2nc(-c3cc(C(=N)N)sc3C)cs2)cc(OC)c1OC,CHEMBL352875,5.95
+CSc1sc(C(=N)N)cc1-c1csc(NC(c2ccccc2)c2ccccc2)n1,CHEMBL170477,5.93
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Cl)cc2C)n1,CHEMBL369810,6.55
+N=C(N)c1ccc(CS)s1,CHEMBL173953,5.22
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1,CHEMBL173906,7.15
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(/N=N/c3ccccc3)cc2)n1,CHEMBL355341,6.74
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1,CHEMBL171715,6.4
+COc1cccc(N2CCN(c3nc(-c4cc(C(=N)N)sc4SC)cs3)CC2)c1,CHEMBL171270,5.74
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2F)n1,CHEMBL441839,6.62
+COc1cccc(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)c1,CHEMBL172162,6.55
+CSc1sc(C(=N)N)cc1-c1csc(NCCN2CCOCC2)n1,CHEMBL172150,5.85
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2)n1,CHEMBL171245,6.7
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1,CHEMBL173681,7.22
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2Cl)n1,CHEMBL353665,5.84
+CSc1sc(C(=N)N)cc1-c1csc(NCCCc2ccccc2)n1,CHEMBL355531,6.46
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(OCc3ccccc3)cc2)n1,CHEMBL171353,6.74
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc3c(c2)OCO3)n1,CHEMBL367114,6.28
+CSc1sc(C(=N)N)cc1-c1csc(Nc2cccc(Cl)c2C)n1,CHEMBL353655,6.36
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(C3CCCCC3)cc2)n1,CHEMBL353872,6.96
+CSc1sc(C(=N)N)cc1-c1csc(Nc2cccc(OCC(N)=O)c2)n1,CHEMBL170363,5.99
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(C)cc2Br)n1,CHEMBL171642,6.37
+Cc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1,CHEMBL352562,7.1
+CSc1sc(C(=N)N)cc1-c1csc(N)n1,CHEMBL172671,5.41
+Cc1sc(C(=N)N)cc1-c1csc(N)n1,CHEMBL369272,5.79
+CSc1sc(C(=N)N)cc1-c1csc(NCCN2CCCCC2)n1,CHEMBL173483,5.8
+COc1ccc(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)cc1,CHEMBL171469,6.55
+CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2Br)n1,CHEMBL173096,6.55
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL137780,4.82
+N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL417020,6.49
+Cc1ccc(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54311,4.91
+N=C(N)c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL49987,6.46
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL50933,5.8
+CC(C)(C(=O)O)c1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2Cc2ccccc2)c1,CHEMBL51338,6.46
+N=C(N)c1ccc2[nH]c(-c3cc(CCCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50649,6.57
+Cc1cc(C)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54093,5.64
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCCc2ccccc2)c1,CHEMBL297961,5.07
+N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL299009,6.55
+N=C(N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53478,6.26
+Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL48608,7.11
+Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(=N)N)cc3c2CCc2ccccc2)c1,CHEMBL53848,5.64
+N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL50924,6.37
+Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL54018,6.72
+N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(Br)c3O)c(Cc3ccccc3)c2c1,CHEMBL53829,6.4
+Cc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL52427,7.19
+N=C(N)Nc1ccc(Br)cc1,CHEMBL1160763,4.51
+N=C(N)Nc1ccc([N+](=O)[O-])cc1,CHEMBL609702,4.69
+N=C(N)Nc1ccc(C(F)(F)F)cc1,CHEMBL43961,5.19
+N=C(N)Nc1ccccc1[N+](=O)[O-],CHEMBL609703,4.27
+CCc1ccc(NC(=N)N)cc1,CHEMBL404605,4.04
+N=C(N)Nc1ccc(F)cc1,CHEMBL1160766,4.275
+N=C(N)Nc1cccc(Cl)c1,CHEMBL13823,4.21
+Cc1ccc(NC(=N)N)cc1,CHEMBL43415,4.81
+COc1ccc2ccnc(NC(=N)N)c2c1,CHEMBL110307,6.18
+Cc1ccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)cc1,CHEMBL109274,6.89
+N=C(N)Nc1ncc(Cl)c2ccc(-c3ccc(C(=O)O)cc3)cc12,CHEMBL432024,7.09
+COc1ccc(C(=O)O)cc1-c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL111512,8.05
+N=C(N)Nc1cc2ccccc2cn1,CHEMBL109632,5.03
+N#Cc1ccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)cc1,CHEMBL112786,6.31
+N=C(N)Nc1nccc2ccc(OCc3ccccc3)cc12,CHEMBL107872,5.32
+CC(O)c1ccc2ccnc(NC(=N)N)c2c1,CHEMBL113532,6.19
+COc1ccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)cc1,CHEMBL109849,6.7
+N=C(N)Nc1nccc2ccc(C(=O)O)cc12,CHEMBL113114,6.0
+COc1cccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)c1,CHEMBL320729,7.08
+N=C(N)Nc1ncc(Cl)c2ccc(-c3ccccc3)cc12,CHEMBL109215,6.51
+Cc1cnc(NC(=N)N)c2ccccc12,CHEMBL111343,5.85
+N=C(N)Nc1nccc2c(Br)cccc12,CHEMBL110358,5.31
+N=C(N)Nc1nccc2ccc(CO)cc12,CHEMBL324663,5.89
+N=C(N)Nc1nccc2ccc(-c3ccccc3)cc12,CHEMBL323241,6.4
+COc1ccc(C#N)cc1-c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL324861,6.74
+N=C(N)Nc1nccc2cc(Br)ccc12,CHEMBL107871,5.63
+N=C(N)Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,CHEMBL432422,7.0
+N=C(N)Nc1nccc2ccccc12,CHEMBL321822,5.72
+COc1ccccc1-c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL320493,7.0
+N=C(N)Nc1ncc(Br)c2ccccc12,CHEMBL323232,6.24
+COc1cccc2c(NC(=N)N)nccc12,CHEMBL322489,5.44
+N=C(N)Nc1nccc2c(OCc3ccccc3)cccc12,CHEMBL325094,5.32
+N=C(N)Nc1nccc2ccc(-c3ccc4c(c3)OCO4)cc12,CHEMBL111452,6.47
+N#Cc1cccc(-c2ccc3c(Cl)cnc(NC(=N)N)c3c2)c1,CHEMBL112785,6.52
+N=C(N)Nc1ncc(Cl)c2ccc(-c3cccc(C(=O)O)c3)cc12,CHEMBL111576,7.43
+N=C(N)Nc1nccc2ccc(Br)cc12,CHEMBL321848,6.1
+N=C(N)Nc1ncc(Cl)c2ccccc12,CHEMBL326419,6.08
+N=C(N)Nc1ccc(C2CC(=O)O/C(=C\I)C2)cc1,CHEMBL137269,5.11
+N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1,CHEMBL135723,8.0
+C=C1CCC(c2ccc(CNC(=N)N)cc2)C(=O)O1,CHEMBL335908,6.46
+C=C1CC(c2ccc(NC(=N)N)cc2)C(NC(=O)c2ccccc2)C(=O)O1,CHEMBL134927,5.22
+N=C(N)Nc1ccc(C2C/C(=C/I)OC(=O)C2NC(=O)c2ccccc2)cc1,CHEMBL135724,4.73
+Nc1ccc2cccc(O)c2n1,CHEMBL119647,4.25
+CC(C)COc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62492,6.26
+C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62807,7.96
+N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,CHEMBL64579,6.72
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1Cl,CHEMBL305349,6.26
+CC(C)COc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62836,6.72
+CCOc1cccc(-c2nc3cc(Cl)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62378,6.02
+C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL61442,6.96
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCNC4)c3O)nc2cc1F,CHEMBL303978,6.34
+C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL293892,7.49
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F,CHEMBL302913,6.66
+N=C(N)c1cc2[nH]c(-c3cccc(OC4CCNC4)c3O)nc2cc1F,CHEMBL61791,5.92
+CCOc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL293657,6.35
+N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCN4)c3O)nc2cc1F,CHEMBL62397,6.15
+N=C(N)c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1,CHEMBL303992,6.66
+CCOc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL62753,6.54
+CC(C)COc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,CHEMBL60831,6.74
+C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(=N)N)cc3[nH]2)c1O,CHEMBL416674,7.49
+C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)CC1,CHEMBL62509,7.0
+N=C(N)c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,CHEMBL62370,6.4
+CCOc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64838,6.15
+CC(C)COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL64676,6.6
+C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(F)c(C(=N)N)cc4[nH]3)c2O)C1,CHEMBL294067,6.74
+N=C(N)c1cc2[nH]c(-c3cccc(OCC4CCCO4)c3O)nc2cc1F,CHEMBL62588,7.1
+N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,CHEMBL59704,8.1
+N=C(N)c1ccc(NC(=O)c2ccccc2O)cc1,CHEMBL64708,5.57
+COc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12,CHEMBL303970,6.6
+COc1c(O)c(C(=O)Nc2ccc(NC(=N)N)nc2)cc2cc3ccccc3cc12,CHEMBL294509,6.55
+Cc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1O,CHEMBL412448,5.77
+N=C(N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,CHEMBL292977,6.72
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)c1,CHEMBL64164,5.07
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1,CHEMBL60478,5.34
+CC(C)Oc1c(O)c(C(=O)Nc2ccc(NC(=N)N)nc2)cc2cc3ccccc3cc12,CHEMBL63216,6.74
+Cc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62491,5.59
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(Cl)c2)c1,CHEMBL62897,5.22
+N=C(N)c1ccc2nc(-c3ccccc3O)[nH]c2c1,CHEMBL433501,5.26
+Cc1cccc(C(=O)Nc2ccc(NC(=N)N)cc2)c1O,CHEMBL59690,4.22
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,CHEMBL64740,6.52
+Cc1ccc(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)c1,CHEMBL64841,4.89
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,CHEMBL64654,7.07
+N=C(N)Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1,CHEMBL62414,4.57
+Cc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL64096,6.0
+COc1ccc(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)c1,CHEMBL64563,4.7
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cc1,CHEMBL63050,5.8
+CCOc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c1,CHEMBL417409,6.19
+Cc1cc(Br)c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)c1,CHEMBL64578,5.1
+CC(C)Oc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12,CHEMBL304219,6.64
+N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1,CHEMBL284805,5.62
+CCOc1ccc(C(=O)Nc2ccc(NC(=N)N)cc2)c(O)c1,CHEMBL63038,5.0
+N=C(N)Nc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1,CHEMBL292488,4.57
+COc1ccc(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL62255,5.51
+Cc1cc(Br)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL61327,6.82
+N=C(N)c1ccc(NC(=O)c2cccc(-c3ccccc3)c2O)cc1,CHEMBL292300,5.07
+N=C(N)Nc1ccc(NC(=O)c2ccccc2O)cc1,CHEMBL303335,4.62
+N=C(N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1,CHEMBL303367,6.22
+N=C(N)Nc1ccc(NC(=O)c2cccc(Cl)c2O)cc1,CHEMBL294776,4.38
+N=C(N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1,CHEMBL62736,4.36
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cn1,CHEMBL64653,6.66
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1,CHEMBL64097,7.1
+N=C(N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1,CHEMBL264760,5.22
+Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(F)c2)c1,CHEMBL293260,6.57
+N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cn1,CHEMBL59936,6.15
+COc1cc(C)ccc1C(=O)N(C)c1ccc(NC(=N)N)cc1,CHEMBL64308,5.26
+N=C(N)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1,CHEMBL62490,5.1
+COc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL96493,5.44
+N=C(N)c1ccc2nc(-c3ccccc3)[nH]c2c1,CHEMBL96917,4.26
+N=C(N)c1ccc2nc(-c3cccc([N+](=O)[O-])c3O)[nH]c2c1,CHEMBL327789,6.05
+N=C(N)c1ccc2nc(-c3cc(F)ccc3O)[nH]c2c1,CHEMBL92277,5.55
+N=C(N)c1ccc2nc(-c3cccc(Br)c3O)[nH]c2c1,CHEMBL330244,6.6
+N=C(N)c1ccc2nc(-c3cccc(F)c3O)[nH]c2c1,CHEMBL96494,6.26
+N=C(N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1,CHEMBL319997,5.41
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1,CHEMBL316334,6.55
+N=C(N)c1ccc2nc(-c3cc(Br)ccc3O)[nH]c2c1,CHEMBL94254,5.43
+CCN(CC)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL330460,4.89
+N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1,CHEMBL94775,7.6
+Cc1ccc(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL433179,5.12
+Cn1c(-c2cccc(-c3ccccc3)c2O)nc2ccc(C(=N)N)cc21,CHEMBL96428,4.96
+N=C(N)c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL318363,6.26
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1,CHEMBL321510,4.89
+COc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL94139,5.44
+Cc1cc(Br)c(O)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL95097,6.55
+Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O,CHEMBL92964,5.1
+Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c1,CHEMBL92865,5.44
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,CHEMBL96433,8.1
+N=C(N)c1ccc2nc(-c3c(O)cccc3O)[nH]c2c1,CHEMBL93269,5.72
+N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL92251,6.3
+N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1,CHEMBL327715,6.4
+N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,CHEMBL328772,7.46
+N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1,CHEMBL92883,7.26
+N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1,CHEMBL92250,5.48
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,CHEMBL330234,7.0
+N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1,CHEMBL91962,7.37
+COc1c(-c2ccccc2)cccc1-c1cc2cc(C(=N)N)ccc2[nH]1,CHEMBL318526,5.49
+N=C(N)c1ccc(Oc2ccc(Oc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL26856,5.71
+N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1,CHEMBL30044,5.8
+N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2I)cc1,CHEMBL26370,5.7
+N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,CHEMBL25105,4.84
+N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1Cl,CHEMBL125153,6.31
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F,CHEMBL127909,7.7
+COc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(=N)N,CHEMBL126707,6.44
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl,CHEMBL339902,8.05
+N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1O,CHEMBL127407,5.7
+Cc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(=N)N,CHEMBL127278,7.0
+CC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL349545,4.39
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](N)CO)cc1,CHEMBL345236,4.68
+CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL440919,5.05
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1,CHEMBL415741,6.31
+COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL159162,6.41
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL346117,5.92
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1,CHEMBL158814,7.32
+N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158939,7.89
+CC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL423246,5.02
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL158405,8.11
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@H](N)CO)cc1,CHEMBL160944,4.92
+N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL156858,5.04
+CC(C)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(C(=N)N)cc2)cc(C(C)C)c1C(C)C,CHEMBL157131,5.82
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL345435,6.3
+CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL350657,4.64
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](N)CCC(=O)O)cc1,CHEMBL2371217,4.66
+CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL433510,7.37
+CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1,CHEMBL160580,4.09
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1,CHEMBL422533,5.4
+N=C(NO)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL157479,4.21
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)/C=C/c2ccccc2)cc1,CHEMBL352009,5.66
+N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL158936,7.44
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O,CHEMBL160253,5.51
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,CHEMBL554926,4.8
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)ccc2c1,CHEMBL185345,5.92
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)ccc2c1,CHEMBL426433,5.89
+N=C(N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL181595,7.33
+CC(C)Oc1cccc(C2CC2c2ccc3cc(C(=N)N)ccc3c2)c1,CHEMBL182309,6.58
+CC(C)C1=NCCc2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc21,CHEMBL184844,6.21
+N=C(N)c1ccc2cc(CCc3ccccc3)ccc2c1,CHEMBL184848,5.5
+CC(C)C1=NCCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL179941,6.88
+N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Br)c2c1,CHEMBL182220,6.55
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Br)c2c1,CHEMBL360703,6.09
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Br)c2c1,CHEMBL181599,6.21
+CC(C)C1=NCCc2ccc([C@H]3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL183021,7.19
+CC(C)C1=NCCc2ccc([C@@H]3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21,CHEMBL182065,6.42
+N=C(N)c1ccc2cc(CCc3ccccc3)cc(Br)c2c1,CHEMBL182372,5.88
+N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1,CHEMBL182303,7.3
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL360195,6.77
+N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1,CHEMBL182460,6.85
+CC1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C,CHEMBL362671,6.53
+CN1CCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc2C1C(C)(C)C,CHEMBL181701,6.26
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL183613,6.7
+CC(C)C1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C,CHEMBL185515,7.315
+N=C(N)c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1,CHEMBL182546,6.14
+CN1CCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc2C1C1CCCCC1,CHEMBL182547,7.55
+N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL362600,8.0
+N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Nc3ncccn3)c2c1,CHEMBL182959,8.3
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL379068,5.74
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL437307,5.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212577,4.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL212014,5.1
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL379194,5.44
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL378657,5.77
+N=C(N)NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c1,CHEMBL378192,5.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)CCN)cc2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211401,6.09
+N=C(N)NCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)cc1,CHEMBL380221,6.22
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1,CHEMBL380220,5.44
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1,CHEMBL378643,5.47
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CHEMBL209794,5.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL379357,5.89
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1,CHEMBL210189,5.66
+N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL211659,5.68
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCCN)CC2)c1,CHEMBL210815,5.68
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL377627,6.49
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL378830,5.72
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL210771,5.89
+N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL212310,5.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL211939,5.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(=N)N)CC2)c1,CHEMBL211209,5.09
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCNCC2)c1,CHEMBL209586,5.18
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=N)N)CC2)c(C(C)C)c1,CHEMBL211754,5.8
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1,CHEMBL212538,6.06
+N=C(N)NCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706846,5.44
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N2CCC(C(=O)NCCN)CC2)c1,CHEMBL3706845,5.11
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCN)CC2)c(C(C)C)c1,CHEMBL377763,5.92
+CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706844,4.51
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL438959,5.34
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL208586,5.6
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c1,CHEMBL211367,4.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCN(C(=N)N)CC3)CC2)c(C(C)C)c1,CHEMBL379586,5.96
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(C(C)C)c1,CHEMBL379186,5.92
+Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C)c2c1OC(C)(C)C2,CHEMBL211794,4.6
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)CCc2cccc3ccccc23)CC1,CHEMBL211549,4.25
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)Cc2ccc3ccccc3c2)CC1,CHEMBL209334,4.37
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL426501,4.72
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL379958,5.4
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL212271,5.16
+CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)cc1,CHEMBL379957,4.74
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CHEMBL211086,4.98
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212031,6.21
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)CC1,CHEMBL379075,5.21
+N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL3706847,4.59
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL209963,5.92
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL209910,6.09
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CN)CC2)c(C(C)C)c1,CHEMBL209841,5.05
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210386,5.82
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCN)CC2)c(C(C)C)c1,CHEMBL379960,5.96
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL212209,6.59
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN)CC2)c(C(C)C)c1,CHEMBL212616,6.19
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCNC(=N)N)CC2)c(C(C)C)c1,CHEMBL210244,6.09
+N=C(N)Nc1nccc2ccc(S(N)(=O)=O)cc12,CHEMBL227583,6.55
+CN1CCN(C(=O)C2(NS(=O)(=O)c3ccc4c(Cl)cnc(NC(=N)N)c4c3)CCCC2)CC1,CHEMBL226714,8.85
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)N4CCOCC4)CCCC3)cc12,CHEMBL228113,8.8
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)NCCO)CCCC3)cc12,CHEMBL227931,8.0
+CN(C)CCNC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(NC(=N)N)c3c2)CCCC1,CHEMBL427456,7.52
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(CO)CCCC3)cc12,CHEMBL228052,7.17
+CCOC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(NC(=N)N)c3c2)CCCC1,CHEMBL228173,7.85
+CN(C)CCN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL227607,8.59
+CN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL228204,7.96
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cc12,CHEMBL390133,7.27
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc12,CHEMBL389032,6.8
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc12,CHEMBL388780,7.64
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc12,CHEMBL228238,6.95
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)cc12,CHEMBL227990,8.0
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CC(C(=O)O)C3)cc12,CHEMBL228051,6.48
+CN1CCC(NS(=O)(=O)c2ccc3c(Cl)cnc(NC(=N)N)c3c2)(C(=O)O)CC1,CHEMBL227890,7.96
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCOCC3)cc12,CHEMBL227666,8.13
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCCC3)cc12,CHEMBL227976,8.1
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCC3)cc12,CHEMBL374378,8.24
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCC3)cc12,CHEMBL228170,8.13
+CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227421,8.0
+C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL376763,7.57
+CC(C)(C)[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL266435,7.66
+CC(C)[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL389056,7.18
+CC(C)[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227422,7.72
+C[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL223864,7.68
+C[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227426,7.55
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)CC3CCCC3)cc12,CHEMBL227425,7.51
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)cc12,CHEMBL227995,7.46
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)c3ccccc3)cc12,CHEMBL228172,7.54
+CN(CC(=O)O)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1,CHEMBL227664,7.27
+CC(C)(CNS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)O,CHEMBL227606,7.37
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NCCC(=O)O)cc12,CHEMBL227584,7.24
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NCC(=O)O)cc12,CHEMBL226716,7.32
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc12,CHEMBL224689,7.23
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc12,CHEMBL374623,7.07
+CN1CCN(S(=O)(=O)c2ccc3c(Cl)cnc(NC(=N)N)c3c2)CC1,CHEMBL227770,6.26
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCOCC3)cc12,CHEMBL227769,6.48
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCCC3)cc12,CHEMBL227940,6.89
+N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3CCCC3)cc12,CHEMBL390310,7.15
+N=C(N)Nc1ncc(Cl)c2ccc(S(N)(=O)=O)cc12,CHEMBL227782,6.85
+N=C(N)Nc1nccc2ccc(S(=O)(=O)Nc3ccccc3)cc12,CHEMBL227781,6.8
+NC(N)Nc1ccc(CC(=O)c2ccccc2)cc1,CHEMBL236081,4.47
+C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(NC(=N)N)cc1,CHEMBL238902,7.8
+N=C(N)Nc1ccc(CNC(=O)OCc2ccccc2)cc1,CHEMBL391969,4.8
+N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL252937,7.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468270,5.42
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCCN)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL512118,5.28
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461870,5.43
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCO)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513339,5.52
+CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461440,5.09
+CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461441,5.49
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461655,5.08
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL513818,4.92
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL466588,4.92
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL516786,4.96
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460378,5.0
+CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL518179,5.07
+CC(C)Oc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL499200,5.02
+COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC,CHEMBL453766,4.85
+CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL460810,5.16
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468894,5.43
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccnc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL468895,4.96
+N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL499274,5.21
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL461016,5.44
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL469090,5.18
+Cc1nccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)n1,CHEMBL513007,5.06
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(=O)O)CC2)c1,CHEMBL495143,4.77
+COC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL498875,5.6
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL444411,5.48
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1,CHEMBL492342,5.68
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1,CHEMBL507322,5.48
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(N)=O)CC2)c1,CHEMBL493116,5.48
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL445195,5.66
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC(C(N)=O)C2)c1,CHEMBL493936,5.13
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCCC2)c1,CHEMBL493117,5.59
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCNCC2)c1,CHEMBL493118,6.06
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL493520,5.52
+CNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL443990,4.77
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL523865,5.04
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,CHEMBL506479,5.08
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,CHEMBL494128,5.14
+CC1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL493140,4.46
+COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1,CHEMBL492333,4.12
+N=C(N)c1ccc2cc(Nc3ncccn3)ccc2c1,CHEMBL558959,6.0
+C=COC(=O)Nc1cccc2ccc(N)nc12,CHEMBL568912,5.3
+Nc1ccc2cccc(NS(=O)(=O)c3cc(Br)c(Br)s3)c2n1,CHEMBL570545,5.3
+Nc1ccc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2n1,CHEMBL552230,4.8
+N=C(N)c1ccc2cc(CCc3ccc4c(c3)CCNC4)ccc2c1,CHEMBL565151,6.6
+N=C(N)c1ccc2cc(C#Cc3ccc4c(c3)CCNC4)ccc2c1,CHEMBL561413,7.2
+NC1CCc2ccccc2C1,CHEMBL30294,4.4
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCCN4)ccc2c1,CHEMBL552433,6.6
+CC(C)Oc1cccc(NC(=O)c2ccc(OCC(=N)N)c(Br)c2)c1,CHEMBL538969,5.1
+Nc1ccc2cccc(NC(=O)C3CC3)c2n1,CHEMBL565181,5.0
+N=C(N)c1cc2c(Nc3ncccn3)cccc2s1,CHEMBL549396,6.9
+N=C(N)NC(=O)c1cc(Br)ccc1N,CHEMBL561490,5.4
+COc1ccc2ccc(C(=N)N)cc2c1OCC(N)=O,CHEMBL540173,6.2
+N=C(N)c1ccc2cc(/C=C(\Cl)c3ccccc3)ccc2c1,CHEMBL538181,5.8
+N=C(N)NC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ncccn2)c1,CHEMBL539738,5.0
+N=C(N)NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N,CHEMBL552030,6.5
+N=C(N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1,CHEMBL556663,6.2
+N=C(NO)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,CHEMBL560493,7.3
+N=C(N)c1ccc2cc(CCc3ccc(CN4CCCC4)cc3)cc(Nc3ncccn3)c2c1,CHEMBL560416,7.5
+Nc1ccc2cc(NC(=O)CCc3ccccc3)ccc2n1,CHEMBL550342,5.0
+N=C(N)c1ccc2cc(C#Cc3ccc(CCN)cc3)ccc2c1,CHEMBL550138,6.4
+N=C(N)c1ccc2cc(-c3ccc(N)cc3)ccc2c1,CHEMBL559897,5.7
+N=C(N)c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1,CHEMBL551628,6.4
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1,CHEMBL570081,6.6
+Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1,CHEMBL550275,5.3
+Nc1ccc2nc(N)ccc2c1,CHEMBL538931,4.0
+COc1ccc2ccc(C(=N)N)cc2c1Oc1cnccn1,CHEMBL559895,6.1
+Nc1ccc2cc(NC(=O)c3ccccc3)ccc2n1,CHEMBL551228,5.0
+N=C(N)c1ccc2cc(/C=C/c3ccc(C(O)CO)cc3)ccc2c1,CHEMBL551227,6.1
+N#Cc1ccccc1COc1cccc2ccc(N)nc12,CHEMBL549732,4.5
+N=C(N)c1ccc2cc(/C=C/c3ccc4c(c3)CCNC4)ccc2c1,CHEMBL541262,6.2
+COc1ccc2ccc(C(=N)N)cc2c1OCCCBr,CHEMBL559698,5.2
+N=C(N)c1ccc2cccc(C(=O)NO)c2c1,CHEMBL559504,5.2
+Nc1ccc2cc(O)cc(Nc3ncccn3)c2n1,CHEMBL555129,5.4
+N=C(N)c1ccc2cc(C#Cc3ccc(CN)cc3)ccc2c1,CHEMBL550621,6.9
+C1=NCc2ccccc2N1,CHEMBL539405,4.3
+N=C(N)c1ccc2cc(/C=C/CCc3cccnc3)cc(Br)c2c1,CHEMBL549664,5.5
+CN(C)Cc1ccc(/C=C/c2cc(Br)c3cc(C(=N)N)ccc3c2)o1,CHEMBL550620,5.9
+Nc1ccc2ccc(C(=O)NCc3ccccc3)cc2n1,CHEMBL549463,5.0
+Nc1nccc2ccccc12,CHEMBL62083,4.3
+N=C(N)c1ccc2cc(C3OC3c3ccccc3)ccc2c1,CHEMBL563776,6.2
+N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1,CHEMBL559562,6.4
+CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(C(=N)N)ccc4c3)cc21,CHEMBL562412,8.8
+COC(=O)Nc1cccc2ccc(C(=N)N)cc12,CHEMBL555026,7.4
+Cc1ccc(CN2CCc3cc(NC(=O)c4ccc5cc(C(=N)N)ccc5c4)ccc3C2)cc1,CHEMBL558669,6.9
+COc1ccc2ccc(C(=N)N)cc2c1Nc1ccccc1,CHEMBL562212,5.8
+N=C(N)c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1,CHEMBL554141,6.8
+CCC(C)/C=C/c1cc(C(=O)OC)cc2ccc(C(=N)N)cc12,CHEMBL572345,6.4
+Nc1ccc2c(O)cccc2c1,CHEMBL551755,4.3
+COc1cc(Nc2ncccn2)c2nc(N)ccc2c1,CHEMBL551754,4.4
+C=CCN1CCc2cc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)ccc2C1,CHEMBL549807,7.0
+COC(=O)C(C)Oc1cccc2sc(C(=N)N)cc12,CHEMBL589526,5.64
+COC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL609911,6.3
+CN(C)CCNC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597553,5.67
+N=C(N)c1cc2c(OC(C(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL603670,6.85
+N=C(N)c1cc2c(OC(C(=O)NCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597554,6.29
+COc1ccccc1NC(=O)C(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597763,6.92
+COc1cccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c1,CHEMBL603671,6.77
+COc1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596948,6.85
+CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL604500,6.72
+CN(C)C(=O)c1ccc(NC(=O)C(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL599613,6.8
+N=C(N)c1cc2c(OC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c3ccccc3)cccc2s1,CHEMBL599614,6.89
+N=C(N)c1cc2c(OC(CN)c3ccccc3)cccc2s1,CHEMBL610516,6.57
+CC(=O)NCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL599615,6.66
+N=C(N)c1cc2c(OC(CNCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL599001,6.51
+N=C(N)c1cc2c(OC(CNC(=O)Oc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597370,7.07
+N=C(N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL597570,6.6
+N=C(N)c1cc2c(OC(CO)c3ccccc3)cccc2s1,CHEMBL597571,6.85
+CNC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL599415,6.68
+CCNC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL606194,6.82
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cccc2s1,CHEMBL598400,6.36
+N=C(N)c1cc2c(OC(COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1,CHEMBL605842,6.29
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3F)c3ccccc3)cccc2s1,CHEMBL606183,6.48
+N=C(N)c1cc2c(OC(COC(=O)Nc3cccc(F)c3)c3ccccc3)cccc2s1,CHEMBL597376,6.03
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3)c3ccccc3)cccc2s1,CHEMBL597579,6.11
+Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL604289,6.51
+COc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596764,6.65
+COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL596968,7.05
+COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL604294,5.79
+CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1,CHEMBL597143,6.7
+CN1CCN(Cc2ccc(NC(=O)OCC(Oc3cccc4sc(C(=N)N)cc34)c3ccccc3)cc2)CC1,CHEMBL597144,6.7
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cccc2s1,CHEMBL599394,6.53
+CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL598989,6.51
+CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597557,6.13
+CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL597758,6.22
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1,CHEMBL597759,6.08
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3F)c3ccccc3)cccc2s1,CHEMBL598996,6.24
+N=C(N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1,CHEMBL605564,6.6
+Cc1noc(C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL598169,6.85
+Cc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL606177,6.77
+COCc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL601870,6.96
+CNCc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1,CHEMBL601018,6.6
+Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL601019,7.24
+COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c1C,CHEMBL601231,7.23
+CNCc1c(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c(C)nn1C,CHEMBL602082,6.81
+Cc1nn(C)c(CNC(C)C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL604954,6.82
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1,CHEMBL602083,5.67
+N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cc(F)cc2s1,CHEMBL601241,6.08
+CN(C)Cc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(C(=N)N)cc12)c1ccccc1,CHEMBL603242,6.03
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+CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCc2cc3cc(c2)CSC[C@H](NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)O)CSC3,CHEMBL3132963,5.83
+CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)CSC[C@@H](C(=O)NCC(=O)O)NC1=O)CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2,CHEMBL3132962,4.31
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1,CHEMBL3219100,5.36
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+COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c2)c(OC)c1,CHEMBL3219102,4.73
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219103,4.74
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+N=C(N)c1ccc(Oc2cc(Oc3ccc(NC(=O)CCN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289044,8.7
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(CCN)CC3)c2)cc1,CHEMBL3289024,8.4
+N=C(N)c1ccc(Oc2cc(Oc3ccc(N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289039,8.4
+NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289299,8.4
+N=C(N)c1ccc(Oc2cc(Oc3ccc(N)nc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289040,8.3
+N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289298,8.3
+CCOC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289026,8.22
+N=C(N)c1ccc(COc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289042,8.15
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)nc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289045,8.1
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCCCC3)c2)cc1,CHEMBL3289017,8.05
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCO)CC3)c2)cc1,CHEMBL3289021,8.05
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCCN)CC3)c2)cc1,CHEMBL3289022,8.05
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289032,8.05
+CC1CCC(C(=O)Nc2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289031,8.0
+N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289036,8.0
+N=C(N)c1ccc(Oc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289043,7.96
+N=C(N)c1cccc(COc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)c1,CHEMBL3289301,7.96
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(C(=O)O)CC3)c2)cc1,CHEMBL3289027,7.92
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1,CHEMBL3289029,7.92
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289033,7.92
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(N)=O)c2)cc1,CHEMBL3289015,7.89
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1,CHEMBL3289018,7.89
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC4CCCCC4C3)c2)cc1,CHEMBL3289028,7.89
+N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289037,7.89
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289023,7.85
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCC(O)CC3)c2)cc1,CHEMBL3289020,7.82
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Cl)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289046,7.82
+N=C(N)c1ccc(COc2cc(OCc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289300,7.82
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCC(O)CC3)c2)cc1,CHEMBL3289025,7.8
+N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCO)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289035,7.77
+CC1CCC(NC(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1,CHEMBL3289019,7.72
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)Nc3ccc(F)cc3)c2)cc1,CHEMBL3289030,7.7
+N=C(N)c1ccc(Oc2cc(N)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289016,7.66
+N=C(N)c1ccc(Oc2cc(NC(=O)[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3289034,7.64
+N=C(N)c1ccc(Oc2cc(OCc3ccc(Br)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289297,7.64
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)O[C@H]3CC[C@H](N)CC3)c2)cc1,CHEMBL3289038,7.6
+N=C(N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)n3)cc2c1,CHEMBL3632758,5.64
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1,CHEMBL3632759,5.89
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(F)CCCCC4)n3)cc2c1,CHEMBL3632760,5.57
+N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)[n+]3[O-])cc2c1,CHEMBL3632761,5.11
+CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O,CHEMBL3735080,4.03
diff --git a/chembl_200/CHEMBL332.csv b/chembl_200/CHEMBL332.csv
new file mode 100644
index 0000000000000000000000000000000000000000..33f8368b65a4b74ba7b36e67689752e4908f17c8
--- /dev/null
+++ b/chembl_200/CHEMBL332.csv
@@ -0,0 +1,621 @@
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL19611,8.7
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1,CHEMBL422266,6.12
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744403,5.065
+CCOP(=O)(O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL2369492,4.54
+CCOP(=O)(O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL2369490,4.31
+CCOP(=O)(O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL2369486,4.66
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC)[C@@H](C)CC,CHEMBL1160627,4.74
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+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744402,4.8
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OC2CCCCO2)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744404,4.6
+CCOP(=O)(O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL2369487,4.89
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC)[C@@H](C)CC,CHEMBL1160623,4.51
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744401,5.17
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC)[C@@H](C)CC,CHEMBL1160624,5.935
+CCOP(=O)(O)N[C@H](C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL2372584,4.72
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCC(=O)NC(CCCCN)C(=O)O)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744412,4.3
+CCOP(=O)(O)N[C@H](C(=O)NC(Cc1ccc(OCC(=O)O)cc1)C(=O)NCC(=O)O)[C@@H](C)CC,CHEMBL1744406,4.49
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN(C)C,CHEMBL117220,7.92
+COc1ccc(C(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(=O)NO)CC(C)C)cc1,CHEMBL113894,8.7
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCN(C)C,CHEMBL324140,8.52
+CSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL116972,8.3
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+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL77754,8.11
+O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL93395,6.71
+O=C(C[C@@H](CCCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL76519,5.3
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+O=C(C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL77808,6.21
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1)NO,CHEMBL93235,6.5
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+O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(S(=O)(=O)O)cc1)NO,CHEMBL90743,6.03
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+O=C(O)C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL91055,4.7
+O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL307211,4.66
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+NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)O)cc1,CHEMBL420376,4.26
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+CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCCC1CO)C(C)C,CHEMBL117720,6.52
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C,CHEMBL325015,5.85
+CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL324369,6.74
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO,CHEMBL116318,5.08
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO,CHEMBL332891,5.07
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+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL281795,10.0
+CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30980,9.0
+CC(C)C[C@H](CP(=O)(O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30804,8.3
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+CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O)C(=O)O,CHEMBL30782,7.7
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL282146,7.6
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL286904,6.77
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL285418,8.52
+CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL285112,8.64
+CC(C)C[C@@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL66098,6.74
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL68553,7.57
+CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL66181,7.01
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O,CHEMBL304295,7.8
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69596,7.38
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69418,7.39
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C)[C@H](C)N(O)C=O,CHEMBL302941,7.44
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O,CHEMBL307773,7.33
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+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1)[C@H](C)N(O)C=O,CHEMBL68812,6.77
+CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1,CHEMBL68667,7.26
+O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,CHEMBL440498,6.23
+CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C(C)(C)C,CHEMBL16520,8.7
+COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1,CHEMBL115727,7.62
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@H]1C(=O)NO,CHEMBL418655,6.12
+COc1ccc(S(=O)(=O)C(CCc2ccccc2)CC(=O)NO)cc1,CHEMBL42521,5.535
+COc1ccc(S(=O)(=O)C(C)(CCCCc2ccccc2)CC(=O)NO)cc1,CHEMBL151996,5.7
+COc1ccc(S(=O)(=O)C(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL153469,6.0
+COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1,CHEMBL114116,5.7
+COc1ccc(S(=O)(=O)C(CCCc2ccccc2)CC(=O)NO)cc1,CHEMBL44225,5.645
+COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1,CHEMBL44250,5.3
+COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL151249,5.7
+C=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL359424,6.47
+CC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL148118,5.4
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,4.52
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O,CHEMBL144049,6.84
+COc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL146896,7.04
+Cc1cc(C)cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c1,CHEMBL144548,5.32
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL515390,5.64
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccccc2)C1=O,CHEMBL356975,6.66
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL303983,6.1
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NO)C3=O)cc2)cc(C)n1,CHEMBL291884,5.65
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142625,4.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142599,4.1
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142627,4.68
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142594,4.72
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142607,4.92
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142611,4.85
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142613,4.13
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142591,4.14
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142612,4.16
+Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)c(C)c1,CHEMBL3142598,4.48
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142614,4.82
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142618,4.62
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142610,4.74
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+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142615,4.52
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142601,4.89
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142600,4.72
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142608,4.06
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142593,4.72
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142588,4.66
+Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142596,4.72
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142605,4.82
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142589,4.54
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142606,5.0
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142626,4.62
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142592,5.05
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+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1,CHEMBL313472,7.28
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1,CHEMBL89057,7.44
+NCC(C(N)=O)N(C(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL87786,8.05
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+COc1ccc([P@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347440,8.18
+COc1ccc([P@](=O)(OCCF)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154706,7.98
+COc1ccc([P@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL406939,8.66
+COc1ccc([P@](=O)(OCC(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL435462,8.22
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL62259,8.34
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,CHEMBL91636,7.89
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL61193,8.1
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL43087,6.89
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL56837,8.28
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL57644,7.59
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL60536,6.79
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc(-c4ccccc4)cc3)ccc2S1(=O)=O,CHEMBL51735,5.69
+COc1ccc2c(c1)NCCN([C@@H](C(=O)NO)C(C)C)S2(=O)=O,CHEMBL300394,6.14
+C[C@H](C(=O)NO)N1CCNc2cc(-c3ccccc3)ccc2S1(=O)=O,CHEMBL298635,6.57
+C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL51966,6.01
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL301157,6.3
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O,CHEMBL431926,6.26
+COc1ccc2c(c1)NCCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL54021,5.97
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1,CHEMBL321213,6.59
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C(F)(F)F)cc2)CS1,CHEMBL109770,6.37
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)s2)CS1,CHEMBL111678,6.35
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111257,6.19
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL111450,6.4
+C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109861,5.98
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL322795,6.2
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL422250,6.41
+CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109806,6.52
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110970,6.38
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL109579,6.36
+C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111179,6.44
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109353,6.68
+Cc1ccc(C2=NN=C(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109214,6.34
+COc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL419750,6.24
+CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL422251,6.26
+COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103418,6.03
+O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1,CHEMBL322433,5.96
+O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL101789,6.5
+CC(C)(C)c1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103563,5.5
+CCN(CC)CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171292,7.97
+COc1ccc(P(=O)(OC(C)C)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173744,7.75
+CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172548,7.94
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2CC1C(=O)NO,CHEMBL171962,7.97
+CCOP(=O)(c1ccc(F)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172885,9.01
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO,CHEMBL172249,8.69
+CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368857,8.17
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2nccnc2CC1C(=O)NO,CHEMBL177072,8.11
+CCOP(=O)(c1ccncc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171986,7.76
+CCOP(=O)(c1cccs1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL367710,7.73
+CCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368205,8.27
+CCOP(=O)(c1ccc(C)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172886,8.31
+CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL436049,7.23
+CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL539171,8.02
+CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173686,7.4
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2CC1C(=O)NO,CHEMBL173316,8.39
+COc1ccc(P(=O)(OC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL170315,8.44
+CCCCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL170429,7.96
+CCOP(=O)(/C=C/c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172722,6.8
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL366478,8.34
+COc1ccc(P(=O)(OCCc2ccccn2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173027,8.5
+CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL175164,7.68
+CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL355797,8.74
+CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL425316,8.19
+CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)NO,CHEMBL173235,7.7
+CCOP(=O)(c1ccccc1F)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173326,7.62
+COc1ccc(P(=O)(OCC2CCCCC2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173846,8.18
+COc1ccc(P(=O)(OCCc2ccccc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL174315,8.35
+COc1ccc(P(=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173754,8.13
+CCOP(=O)(c1cccc(F)c1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172415,7.57
+O=C(C[C@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL261932,5.3
+O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8943,4.51
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc21)NO,CHEMBL323874,4.12
+COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL114804,5.93
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL420487,6.02
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325048,7.09
+O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24398,4.48
+O=C(C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL115082,4.3
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1,CHEMBL419751,7.97
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O,CHEMBL115712,5.96
+COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1,CHEMBL114357,4.02
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122836,7.22
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,4.13
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,4.13
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,4.38
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,7.37
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,7.1
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,8.15
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,8.22
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,4.15
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,8.15
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,4.23
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,4.47
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,4.15
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,6.4
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,7.22
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,8.22
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293774,7.55
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,7.24
+COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1,CHEMBL440714,7.28
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,4.02
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,6.82
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL432223,8.0
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,4.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,8.447000000000001
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1,CHEMBL331342,7.36
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,4.19
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,7.68
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123775,8.4
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,4.1
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,6.84
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,7.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,7.21
+COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1,CHEMBL332120,7.6
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,4.4
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,4.48
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,7.6
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL306726,8.15
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,6.05
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,7.27
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,8.15
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,7.8
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,4.54
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,4.15
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,4.52
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,6.81
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,7.59
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122831,7.43
+COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C(C)C(=O)NO)cc1,CHEMBL450327,7.41
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,6.86
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL304281,7.62
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,4.18
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,4.43
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)NO,CHEMBL298606,7.82
+CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL54697,7.85
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL51862,7.72
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1)NO,CHEMBL54981,7.54
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccccc1[N+](=O)[O-])NO,CHEMBL53051,7.62
+CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL280017,7.59
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1)NO,CHEMBL55154,7.6
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52532,7.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL54904,7.1
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO,CHEMBL298822,7.85
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO,CHEMBL52994,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)NO,CHEMBL299023,7.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1)NO,CHEMBL54617,7.49
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO,CHEMBL55744,7.23
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO,CHEMBL54915,7.51
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=S)NC(=O)c1ccccc1)NO,CHEMBL54535,7.43
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL301085,7.24
+CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293305,7.77
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL293528,7.26
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1)NO,CHEMBL56498,7.22
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL53847,7.28
+Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL297488,7.21
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO,CHEMBL56065,7.52
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL55521,7.14
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO,CHEMBL55236,7.06
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,CHEMBL417749,7.21
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO,CHEMBL300807,7.37
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NO,CHEMBL417200,7.48
+CN(C)c1cccc2c(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12,CHEMBL292657,7.08
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)NO,CHEMBL54483,7.3
+CS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL293504,7.12
+Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL53949,7.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1)NO,CHEMBL56025,7.39
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL416304,7.03
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F)NO,CHEMBL54965,7.62
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL405600,7.02
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl)NO,CHEMBL55907,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL53457,7.66
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1)NO,CHEMBL56951,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO,CHEMBL54621,7.41
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F)NO,CHEMBL53094,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1)NO,CHEMBL54436,7.47
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)NO,CHEMBL439931,7.21
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1)NO,CHEMBL293357,7.27
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1)NO,CHEMBL55984,7.31
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO,CHEMBL299600,7.51
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO,CHEMBL53044,7.74
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c(C)c1,CHEMBL299091,7.44
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1)NO,CHEMBL55522,7.3
+CN(C)S(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL55107,7.59
+Cc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52531,7.27
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1)NO,CHEMBL53091,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO,CHEMBL54054,8.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL300362,7.34
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO,CHEMBL301786,8.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1)NO,CHEMBL292431,7.74
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C,CHEMBL301977,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1)NO,CHEMBL330040,8.52
+O=C(CC1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1)NO,CHEMBL93687,7.15
+O=C(NO)C1CCCCN1S(=O)(=O)N1CCN(c2ccccn2)CC1,CHEMBL410418,6.37
+CCOP(=O)(N[C@H](CC(C)C)C(=O)NO)c1ccc(OC)cc1,CHEMBL59692,6.71
+CCOP(=O)(N[C@H](CCC(=O)NCCc1ccccc1)C(=O)NO)c1ccc(OC)cc1,CHEMBL64571,7.39
+COc1ccc([P@@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL64689,8.21
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL93620,6.07
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90806,6.35
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL92767,7.08
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90321,7.6
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1,CHEMBL327578,7.0
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](OC(C)=O)[C@@H]2C(=O)NO)cc1,CHEMBL317307,6.79
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL330727,7.59
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2C(=O)NO)cc1,CHEMBL93067,6.26
+COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL308533,6.87
+O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(S(=O)(=O)O)cc1)NO,CHEMBL306256,6.03
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(=O)N1CCOCC1)NO,CHEMBL306608,6.5
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL74040,6.48
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCCCN1CCOCC1)NO,CHEMBL74308,6.5
+NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)NO)cc1,CHEMBL422058,6.42
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1)NO,CHEMBL264859,6.52
+O=C(O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL76158,6.71
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1,CHEMBL306033,6.34
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCNS(=O)(=O)N2CCOCC2)cc1,CHEMBL306947,6.41
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN2CCOCC2)cc1,CHEMBL77663,6.19
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN(C)C)cc1,CHEMBL77057,6.5
+CN(C)CCCCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL77659,5.98
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL90337,8.85
+CNC(=O)[C@@H]1CCCCNC(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL48258,8.55
+CNC(=O)[C@@H]1CCCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL328090,8.74
+CNC(=O)[C@@H]1CCc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL433381,8.28
+CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88520,8.52
+O=C(NO)C1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1,CHEMBL316320,6.65
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL41821,6.26
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL291264,7.05
+COc1ccc([P@](=O)(OCCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL155134,7.98
+COc1ccc([P@@](=O)(OCCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347883,7.88
+CCOCCOc1ccc([P@@](=O)(OCC)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154828,6.24
+CCOCCOc1ccc([P@@](=O)(OCCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154438,7.5
+COc1ccc([P@@](=O)(OCCF)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL347021,6.16
+COc1ccc([P@@](=O)(OCC(F)(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL154999,7.45
+COc1ccc([P@@](=O)(OCC(F)F)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,CHEMBL358149,6.9
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C(C)c2ccccc2)cc1,CHEMBL43667,5.77
+CCCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL44045,5.02
+CCOC(=O)C1CCCC(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL40746,6.0
+COc1ccc(S(=O)(=O)C(CC(=O)NO)CC(C)CC(C)(C)C)cc1,CHEMBL42771,5.76
+COc1ccc(S(=O)(=O)C(CCC2CCCCC2)CC(=O)NO)cc1,CHEMBL46963,6.4
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C2CCCCC2)cc1,CHEMBL43704,5.77
+CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL42040,6.45
+CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL43447,5.38
+COC(=O)c1ccc(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL43011,5.72
+O=C(C[C@@H](Cc1ccc(-c2ccc3c(c2)OCO3)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8432,4.89
+CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL417061,5.31
+O=C(C[C@@H](Cc1ccc(-c2cccc(F)c2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8496,5.74
+Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL266245,5.39
+O=C(C[C@@H](Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8466,5.71
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL38571,4.8
+CNC(=O)[C@H](COCc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL403340,4.28
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL39726,4.82
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1,CHEMBL290857,5.82
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1,CHEMBL290704,4.54
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1,CHEMBL39580,4.8
+CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL40790,5.05
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1,CHEMBL289202,4.7
+COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2n[nH]c(=S)s2)cc1OC,CHEMBL287974,5.21
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL249847,4.51
+CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL37147,4.68
+CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL418063,4.82
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCN(c2ccccn2)CC1,CHEMBL38900,6.11
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccccn2)CC1,CHEMBL38629,5.74
+CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL290140,5.52
+CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL398703,4.17
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCSCC1,CHEMBL288015,4.92
+CNC(=O)[C@@H](NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1,CHEMBL399155,4.39
+COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL39392,4.77
+O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1,CHEMBL417697,4.49
+COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Nc3n[nH]c(=S)s3)CC2)cc1,CHEMBL264053,5.22
+CNC(=O)[C@@H]1CCCNCCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL34085,6.3
+CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32631,5.97
+CNC(=O)[C@@H]1CCCN(C(C)=O)CC(C)CO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32596,6.36
+CNC(=O)[C@@H]1CCCN(C(C)=O)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32325,6.61
+CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL32310,6.96
+COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(C(C)=O)CC2)C(=O)NO)c(C)c1C,CHEMBL449092,4.43
+CCOC(=O)N1CCN(C(=O)CC[C@H](C(=O)NO)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)CC1,CHEMBL80486,7.05
+CCOC(=O)N1CCN(C(=O)CC[C@H](C(=O)NO)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)cc(OC)c(C)c2C)CC1,CHEMBL262758,4.49
+COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(C(C)=O)CC2)C(=O)NO)cc1,CHEMBL432532,6.92
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL306090,8.7
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL433314,9.22
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL72511,8.98
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccccc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL76297,8.46
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)O,CHEMBL306724,4.65
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)NO,CHEMBL75419,6.19
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)NO)CC(C)C,CHEMBL306985,6.11
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL308799,6.47
+CCCCCCC(CC(=O)NO)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL77013,5.64
+CCCCCCC(CC(=O)O)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL311393,4.95
+CNC(=O)[C@@H]1CCCCNC(=O)C[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL46183,6.05
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL50228,5.6
+CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(=O)O,CHEMBL48786,5.54
+CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL298167,5.08
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccc(-c3ccccc3)cc2)C(=O)N1,CHEMBL48256,5.84
+C=C[C@@H]1OC(/C=C\C=C\c2ccccc2)=N[C@H]1CO,CHEMBL187079,4.49
+C=C[C@@H]1OC(C#Cc2ccccc2)=N[C@H]1CO,CHEMBL364783,4.34
+C=C[C@@H]1OC(/C=C/c2ccccc2)=N[C@H]1S,CHEMBL186559,4.04
+C=C[C@@H]1OC(c2ccc(C)cc2)=N[C@H]1Sc1ccccc1,CHEMBL184472,4.19
+C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1Sc1ccccc1,CHEMBL187808,4.52
+COc1ccc(C(=O)CCC(=O)NO)cc1,CHEMBL366010,7.48
+COc1ccc(S(=O)(=O)CCC(=O)NO)cc1,CHEMBL198662,7.48
+COc1ccc(C(=O)NCC(=O)NO)cc1,CHEMBL198048,7.48
+O=C(CCC(=O)c1ccc(C(F)(F)F)cc1)NO,CHEMBL198664,8.52
+O=C(CCS(=O)(=O)c1ccc(C(F)(F)F)cc1)NO,CHEMBL198988,8.52
+O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NO,CHEMBL197685,8.52
+O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)NO,CHEMBL199156,8.52
+O=C(CCC(=O)c1ccc(Oc2ccncc2)cc1)NO,CHEMBL198377,8.09
+O=C(CCS(=O)(=O)c1ccc(Oc2ccncc2)cc1)NO,CHEMBL383560,8.09
+O=C(CNC(=O)c1ccc(Oc2ccncc2)cc1)NO,CHEMBL438261,8.09
+O=C(CNS(=O)(=O)c1ccc(Oc2ccncc2)cc1)NO,CHEMBL194570,8.09
+O=C(CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)NO,CHEMBL370416,7.15
+O=C(CCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)NO,CHEMBL382535,7.15
+O=C(CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)NO,CHEMBL195010,7.15
+O=C(CNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)NO,CHEMBL198369,7.15
+O=C(CCC(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO,CHEMBL372377,6.65
+O=C(CCS(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO,CHEMBL198393,6.65
+O=C(CNC(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO,CHEMBL197908,6.65
+O=C(CNS(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO,CHEMBL373285,6.65
+CNC(=O)C1CCCCNC(=O)CCC(C(=O)O)NC(CCc2ccccc2)C(=O)N1,CHEMBL381189,5.6
+CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O,CHEMBL204357,7.68
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1,CHEMBL382705,9.15
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1,CHEMBL207756,7.6
+CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO,CHEMBL439330,7.64
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CO)C(=O)NO)cc1,CHEMBL206875,6.67
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CN2C(=O)N(C)C(C)(C)C2=O)C(=O)NO)cc1,CHEMBL438964,7.08
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C,CHEMBL208181,9.15
+CS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1,CHEMBL389020,9.0
+Cc1cc(COc2ccc(NC(=O)[C@@H]3CCCC[C@@]34NC(=O)NC4=O)cc2)c2ccccc2n1,CHEMBL393444,6.01
+Cc1cc(COc2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL246563,5.61
+CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL485492,5.27
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1,CHEMBL507420,4.17
+CC1(CN[C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1,CHEMBL523956,5.28
+O=C(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL550148,6.44
+O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL591774,4.73
+COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078396,5.48
+O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1077203,6.75
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL311932,6.76
+COc1ccc(S(=O)(=O)N(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NO)cc1,CHEMBL1232074,6.54
+COc1ccc(S(=O)(=O)N(CCO)CC(=O)NO)cc1,CHEMBL1234724,6.89
+COc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1,CHEMBL1632637,6.8
+COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO)cc1,CHEMBL1632638,7.49
+COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)NO)cc1,CHEMBL1632639,6.84
+COc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)[C@@H](C)O)cc1,CHEMBL1632640,6.54
+O=C(CN(CCO)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL1632641,6.82
+O=C(CN(CCO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL1233772,7.17
+O=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL1632642,6.13
+CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651846,4.39
+COc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)cc1,CHEMBL1771214,5.25
+Cc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)nc1,CHEMBL1771217,5.43
+CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1,CHEMBL2012838,4.33
+CO[C@H](C[C@H](CCCCNCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1,CHEMBL1760318,4.48
+O=S(=O)(N[C@@H]1CNC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380405,5.2
+O=S(=O)(N[C@H]1CNC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380399,4.45
+O=C(NCCN1C(=O)c2ccccc2C1=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380314,5.55
+CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL2380401,6.07
+NC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380400,5.39
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380395,5.575
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(-c2ccccc2)cc1,CHEMBL2380394,5.0
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380390,7.28
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380389,7.12
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380388,6.96
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(C)=O)C[C@H]1S,CHEMBL2380387,7.0
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S,CHEMBL2380406,6.59
+O=C(NO)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2c(c1)OCO2,CHEMBL2385489,5.15
+O=C(CNS(=O)(=O)CCc1ccc2c(c1)OCO2)NO,CHEMBL2385488,4.71
+O=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL1335679,4.54
+O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1,CHEMBL2385481,5.74
+O=C(CNS(=O)(=O)CCc1ccccc1)NO,CHEMBL2385480,5.24
+O=C(CNS(=O)(=O)c1ccccc1)NO,CHEMBL2385479,5.47
+O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO,CHEMBL1235735,7.64
diff --git a/chembl_200/CHEMBL333.csv b/chembl_200/CHEMBL333.csv
new file mode 100644
index 0000000000000000000000000000000000000000..33e0fe71d0eeed4cb4ab62e025d7385221d258f9
--- /dev/null
+++ b/chembl_200/CHEMBL333.csv
@@ -0,0 +1,767 @@
+CCCCC1NC(=O)[C@H]2CCCN2C(=O)CCP(=O)(O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCNC1=O,CHEMBL90377,7.05
+CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CCP(=O)(O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O,CHEMBL2115236,6.92
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,CHEMBL279785,9.22
+CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,CHEMBL176467,7.1
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1,CHEMBL422266,6.545
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(C(F)(F)F)cc1)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL310587,6.96
+CCCc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL8474,8.46
+CCc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL310438,7.92
+CCOc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccccc2)cc1,CHEMBL400163,8.21
+CC(C)Cc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL81270,7.96
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL8494,6.7
+CC(C)Cc1cccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1,CHEMBL311324,5.21
+CCCCc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccccc2)cc1,CHEMBL249449,8.68
+CCCc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccccc2)cc1,CHEMBL251482,8.52
+Cc1cc(C)cc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1,CHEMBL79712,5.32
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(C(C)C)cc1)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL81264,6.89
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(F)cc1)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL310767,6.66
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL78081,7.11
+Cc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1C,CHEMBL310118,7.6
+C[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1)C(=O)O,CHEMBL251481,6.68
+CCNC(=O)NCCCCP(=O)(O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL109829,7.72
+COc1ccccc1CC[C@H](CP(=O)(O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL111601,5.36
+COc1ccc(CC[C@H](CP(=O)(O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL109438,7.92
+COC(=O)CCP(=O)(O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL109358,5.89
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL420674,7.7
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)C/C=C/CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL324691,8.32
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCN1Cc2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL320968,8.14
+CC(=O)N1CCC[C@H]1C(=O)NCCCCP(=O)(O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL111975,8.21
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1,CHEMBL325835,6.89
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1,CHEMBL321005,7.59
+COc1cccc(CC[C@H](CP(=O)(O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1,CHEMBL113362,8.68
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(C)(=O)O)C(=O)Nc1ccccc1,CHEMBL326018,6.24
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1,CHEMBL264455,8.68
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O,CHEMBL295798,7.04
+CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(=O)O,CHEMBL423686,5.96
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCNC(=O)CCCc1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL325007,6.11
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCCNC(=O)Cc1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL112508,6.46
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O)C(=O)Nc1ccccc1,CHEMBL112803,6.24
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(=O)O)C(=O)Nc1ccccc1,CHEMBL112180,7.07
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)Cc1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL331364,7.15
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1Cc2ccccc2C1=O)C(=O)O)C(=O)Nc1ccccc1,CHEMBL112147,6.96
+CCCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(=O)O,CHEMBL321006,5.64
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)c1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL323917,6.92
+CCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(=O)O,CHEMBL432642,5.96
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL113322,7.22
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCCNC(=O)c1ccccc1)C(=O)O)C(=O)Nc1ccccc1,CHEMBL326795,6.92
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)O)C(=O)Nc1ccccc1,CHEMBL111017,7.7
+CCCCCCCC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1,CHEMBL150628,6.92
+CCCCCCCCCC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL356837,6.25
+C[C@@H](N[C@@H](CCCCCCCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1)C(=O)O,CHEMBL150386,6.96
+CC(C)C[C@H](NC(=O)[C@H](CCCCCCCCCN)N[C@H](C)C(=O)O)C(=O)Nc1ccccc1,CHEMBL151047,6.3
+CCCCCCCC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL151975,6.47
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCNS(=O)(=O)N1CCOCC1)NO,CHEMBL91655,11.0
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL311397,10.52
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL92453,11.0
+CCc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1,CHEMBL415074,10.0
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1,CHEMBL94114,10.7
+CN(C)CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL327472,10.3
+COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL92828,11.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL77754,9.48
+O=C(C[C@@H](CCCC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL328005,8.16
+O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL93395,11.0
+O=C(C[C@@H](CCCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL76519,9.52
+CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL93890,7.48
+O=C(C[C@@H](CCCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL73803,9.6
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN(C)C)cc1,CHEMBL93791,10.7
+O=C(C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL77808,8.65
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1)NO,CHEMBL93235,10.7
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCCN1CCOCC1)NO,CHEMBL93695,10.52
+O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL327780,5.72
+O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL75403,10.213
+COc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1,CHEMBL310037,10.22
+O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(S(=O)(=O)O)cc1)NO,CHEMBL90743,9.23
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCNS(=O)(=O)N2CCOCC2)cc1,CHEMBL93583,11.0
+O=C(C[C@@H](CCCc1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO,CHEMBL308511,10.22
+NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)NO)cc1,CHEMBL92600,10.52
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1,CHEMBL312076,10.1
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCN2CCOCC2)cc1,CHEMBL328092,11.0
+NC(=O)CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)O,CHEMBL77956,8.51
+Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78335,9.05
+NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)O,CHEMBL307207,6.91
+Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)O)cc1,CHEMBL306177,8.42
+NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccccc2)CC(=O)O)cc1,CHEMBL432346,8.19
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL74977,7.72
+O=C(O)C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL91055,6.68
+O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL307211,7.33
+O=C(O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL77461,8.0
+COc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL309067,8.74
+COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)O,CHEMBL78047,8.22
+NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)O)cc1,CHEMBL420376,8.99
+Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1,CHEMBL307027,7.99
+COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(=O)O,CHEMBL75148,8.93
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1)[C@H](CCCc1ccccc1)CP(=O)(O)O,CHEMBL306779,6.09
+CC(C)Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1,CHEMBL91054,6.8
+Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1,CHEMBL307365,9.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL281795,9.7
+COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL514138,7.7
+CCCc1ccc(CC[C@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL352609,6.66
+CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL168150,8.24
+CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL167302,8.59
+CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL267536,6.96
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(=O)O)C(=O)Nc1ccccc1,CHEMBL167705,6.33
+CCCc1ccc(CC[C@H](C[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1,CHEMBL8256,6.51
+CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30980,8.7
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL282146,6.94
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL286904,6.33
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL285418,9.52
+CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1,CHEMBL283066,7.7
+CC(=O)N1CCC[C@H]1C(=O)NCCCCP(=O)(O)C[C@@H](CCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1,CHEMBL24871,8.21
+CC(C)C[C@H](CP(=O)(O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30804,7.85
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL19611,9.325
+CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO,CHEMBL75094,10.14
+O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,CHEMBL440498,9.66
+CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C,CHEMBL115653,6.81
+COc1ccc(S(=O)(=O)C(CCc2ccccc2)CC(=O)NO)cc1,CHEMBL42521,7.445
+COc1ccc(S(=O)(=O)C(C)(CCCCc2ccccc2)CC(=O)NO)cc1,CHEMBL151996,7.3
+COc1ccc(S(=O)(=O)C(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL153469,7.7
+COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1,CHEMBL114116,8.0
+COc1ccc(S(=O)(=O)C(CCCc2ccccc2)CC(=O)NO)cc1,CHEMBL44225,7.33
+COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1,CHEMBL44250,7.7
+COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL151249,7.22
+O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8943,5.82
+COc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL9086,8.35
+O=C(C[C@@H](Cc1ccc(-c2ccccc2CO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL266335,6.3
+O=C(C[C@@H](Cc1ccc(-c2ccc3c(c2)OCO3)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8432,7.37
+CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL417061,5.69
+O=C(C[C@@H](Cc1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL268882,7.57
+CC(C)c1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL268381,7.32
+CS(=O)(=O)Nc1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL8655,7.51
+O=C(C[C@@H](Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8466,8.55
+Cc1cccc(-c2ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)c1,CHEMBL8447,7.41
+O=C(C[C@@H](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL268680,5.95
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327108,5.33
+COc1ccccc1SCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL324891,4.52
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL115774,7.7
+C=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL359424,7.85
+CC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL148118,6.15
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,5.69
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C1=O,CHEMBL144081,7.46
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O,CHEMBL359251,7.96
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O,CHEMBL343216,7.42
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3)cc2)C1=O,CHEMBL357675,7.72
+COc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,CHEMBL146896,8.32
+Cc1cc(C)cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c1,CHEMBL144548,5.24
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL515390,7.09
+C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccccc2)C1=O,CHEMBL356975,6.97
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCc2ccccc21,CHEMBL151741,7.62
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCc2ccccc21,CHEMBL152104,6.81
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)c4ccccc4)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL302455,6.36
+COC(=O)N[C@H](C(=O)NO)[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O,CHEMBL60373,6.32
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL303983,6.49
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](N)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL64586,6.35
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)C(C)(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL432333,5.91
+Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)N4CCOCC4)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL64262,6.09
+Cc1cc(COc2ccc(N3CC[C@@]([C@H](C)C(=O)NO)(N(C)C)C3=O)cc2)c2ccccc2n1,CHEMBL59968,6.36
+CC(=O)N[C@H](C(=O)NO)[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O,CHEMBL62964,6.71
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142625,4.8
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142599,4.44
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142627,4.77
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142594,5.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142607,5.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142611,4.89
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142613,4.39
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142591,4.48
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142612,4.46
+Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)c(C)c1,CHEMBL3142598,4.62
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142614,4.92
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142618,4.8
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142610,4.92
+CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142590,5.1
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142615,4.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142601,4.96
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142600,5.0
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142608,4.4
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142593,4.77
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142588,4.74
+Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142596,5.1
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142605,5.15
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142589,4.82
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142606,5.4
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142626,4.82
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142592,5.22
+COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142602,4.74
+O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL91767,5.7
+O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL88896,5.7
+O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1,CHEMBL420424,5.7
+CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O,CHEMBL90923,5.7
+CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O,CHEMBL330028,5.7
+CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL421882,5.7
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL407540,7.1
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL327617,7.51
+CCCCCCCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL432770,7.12
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1ccccc1,CHEMBL87300,7.77
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327641,6.84
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1,CHEMBL313472,8.0
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL315901,6.56
+CC(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316200,7.59
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)COCc1ccccc1,CHEMBL87159,8.1
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL86390,7.07
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O,CHEMBL405651,7.52
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1,CHEMBL315843,8.05
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL313360,7.96
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL88187,7.52
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1,CHEMBL89057,7.62
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL330731,6.6
+COc1ccc(CSCC(CP(=O)(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL277792,8.22
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(COCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL329651,6.6
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL313386,6.48
+NCC(C(N)=O)N(C(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL87786,6.59
+NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL328886,7.7
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1,CHEMBL313896,7.72
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL90622,7.85
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,CHEMBL315046,7.0
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88188,7.4
+CC(C)CC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL85744,6.69
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL299141,7.49
+COC(=O)CC[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O,CHEMBL53123,5.8
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2S1(=O)=O,CHEMBL301303,8.1
+Cc1cc(C)cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)c1,CHEMBL293358,6.87
+COc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL51658,6.31
+COC(=O)CCC[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O,CHEMBL52808,6.48
+C[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O,CHEMBL277972,7.12
+COc1ccc2c(c1)NCCN([C@@H](C(=O)NO)C(C)C)S2(=O)=O,CHEMBL300394,7.28
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL293074,6.81
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL416306,6.41
+CCOc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)cc(OCC)c1,CHEMBL54292,5.52
+Cc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(C)n1,CHEMBL299796,7.12
+O=C(CN1CCNc2ccccc2S1(=O)=O)NO,CHEMBL52129,5.72
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL51557,6.64
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL53250,6.02
+C[C@H](C(=O)NO)N1CCNc2cc(-c3ccccc3C(F)(F)F)ccc2S1(=O)=O,CHEMBL299883,5.6
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL415949,6.16
+C[C@H](C(=O)NO)N1CCNc2cc(-c3ccccc3)ccc2S1(=O)=O,CHEMBL298635,8.55
+COc1ccc2c(c1)NCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL300707,6.51
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL301157,7.96
+COc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL54663,7.12
+C[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O,CHEMBL52893,7.31
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3cccc([N+](=O)[O-])c3)ccc2S1(=O)=O,CHEMBL52659,7.07
+COc1ccc2c(c1)NCCN(CC(=O)NO)S2(=O)=O,CHEMBL52815,5.82
+Cc1nc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)sc1C,CHEMBL53055,6.44
+Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)c1,CHEMBL297959,7.03
+COc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)cc(OC)c1,CHEMBL295710,6.19
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O,CHEMBL53233,7.64
+COc1ccc2c(c1)NCCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL54021,8.1
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL299997,5.86
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1,CHEMBL321213,6.52
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110750,6.57
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)s2)CS1,CHEMBL111678,5.73
+Cc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109655,6.39
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109603,6.06
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111257,6.85
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL111450,6.68
+C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109861,6.26
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL322795,6.47
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL422250,6.62
+CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109806,7.1
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110970,6.82
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL109579,6.35
+C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111179,7.05
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109353,6.3
+Cc1ccc(C2=NN=C(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109214,6.36
+COc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL419750,6.28
+CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL422251,6.07
+COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103418,9.4
+O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1,CHEMBL322433,9.0
+O=C(NO)C1CCS(=O)(=O)N1CCc1ccc(-c2ccccc2)cc1,CHEMBL99733,6.36
+COc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1,CHEMBL100570,8.42
+CC(C)(C)c1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1,CHEMBL103563,8.49
+O=C(NO)C1CCS(=O)(=O)N1c1ccc(-c2ccccc2)cc1,CHEMBL329043,6.18
+O=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1,CHEMBL100754,7.55
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,7.12
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,7.21
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122836,8.85
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,4.72
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,4.14
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,4.68
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,7.96
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,7.05
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,8.82
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,7.16
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,9.1
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,4.85
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,9.05
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,4.42
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,4.82
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,6.96
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,4.15
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,6.05
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,7.74
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,8.85
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293774,7.742999999999999
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,7.82
+COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1,CHEMBL440714,7.92
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,4.14
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,7.4
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,7.06
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL432223,8.82
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,4.96
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,7.18
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,9.153
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1,CHEMBL331342,8.0
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,4.11
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,8.62
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123775,9.155
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,4.15
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,7.36
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,8.41
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,8.82
+COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1,CHEMBL332120,7.82
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,4.68
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,4.85
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,7.09
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,8.43
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL306726,9.1
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,6.92
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,7.08
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,7.82
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,9.1
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,8.72
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,5.05
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,4.19
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,4.85
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,7.41
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,8.49
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122831,8.43
+COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C(C)C(=O)NO)cc1,CHEMBL450327,7.89
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,7.39
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL304281,8.54
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,4.14
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,4.64
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL249847,5.52
+CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL290140,5.52
+CNC(=O)[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1n[nH]c(=S)s1,CHEMBL114673,5.52
+O=C(C[C@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL261932,7.96
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,CHEMBL91636,8.96
+CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88520,8.96
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc21)NO,CHEMBL323874,4.5
+COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL114804,7.28
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL420487,6.39
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325048,7.14
+O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24398,5.2
+O=C(C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL115082,4.46
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1,CHEMBL419751,8.37
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O,CHEMBL115712,5.81
+COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1,CHEMBL114357,5.18
+CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1,CHEMBL323929,6.35
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL325421,7.96
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL431680,6.15
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3c(F)cccc3F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL432990,9.19
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL324550,7.3
+NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1,CHEMBL115263,5.73
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)NO,CHEMBL298606,8.05
+CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL54697,8.1
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL51862,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1)NO,CHEMBL54981,7.72
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccccc1[N+](=O)[O-])NO,CHEMBL53051,7.92
+CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL280017,7.96
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1)NO,CHEMBL55154,8.0
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52532,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL54904,9.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO,CHEMBL298822,7.89
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO,CHEMBL52994,7.74
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)NO,CHEMBL299023,7.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1)NO,CHEMBL54617,7.89
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO,CHEMBL55744,7.82
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL417757,7.8
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO,CHEMBL54915,8.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=S)NC(=O)c1ccccc1)NO,CHEMBL54535,8.7
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL301085,8.55
+CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293305,8.0
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL54566,7.62
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL293528,9.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1)NO,CHEMBL56498,8.92
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL53847,8.6
+Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL297488,8.1
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO,CHEMBL56065,8.05
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,CHEMBL54501,7.46
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL55521,8.8
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO,CHEMBL55236,7.41
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,CHEMBL417749,7.48
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO,CHEMBL300807,8.52
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1,CHEMBL55561,7.74
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NO,CHEMBL417200,7.89
+CN(C)c1cccc2c(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12,CHEMBL292657,7.39
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)NO,CHEMBL54483,9.1
+CS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL293504,7.72
+Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL53949,7.7
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1)NO,CHEMBL56025,8.52
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL416304,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F)NO,CHEMBL54965,8.15
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL405600,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl)NO,CHEMBL55907,7.77
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL53457,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1)NO,CHEMBL56951,7.89
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO,CHEMBL54621,8.3
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL53116,7.74
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL54406,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F)NO,CHEMBL53094,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1)NO,CHEMBL54436,8.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)NO,CHEMBL439931,9.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1)NO,CHEMBL293357,9.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1)NO,CHEMBL55984,8.74
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO,CHEMBL299600,8.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO,CHEMBL53044,7.92
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c(C)c1,CHEMBL299091,7.6
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1)NO,CHEMBL55522,8.82
+CN(C)S(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL55107,7.44
+Cc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52531,8.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1)NO,CHEMBL53091,7.74
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO,CHEMBL54054,8.96
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL300362,8.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO,CHEMBL301786,8.0
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1)NO,CHEMBL292431,8.0
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C,CHEMBL301977,8.3
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1,CHEMBL53009,7.72
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1,CHEMBL301177,7.82
+COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL308533,11.0
+O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCc1ccc(S(=O)(=O)O)cc1)NO,CHEMBL306256,9.23
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(=O)N1CCOCC1)NO,CHEMBL306608,10.7
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL74040,11.0
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCCCN1CCOCC1)NO,CHEMBL74308,10.52
+NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)NO)cc1,CHEMBL422058,10.52
+O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1)NO,CHEMBL264859,11.0
+O=C(O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL76158,11.0
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1,CHEMBL306033,11.0
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCNS(=O)(=O)N2CCOCC2)cc1,CHEMBL306947,11.0
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN2CCOCC2)cc1,CHEMBL77663,10.7
+Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN(C)C)cc1,CHEMBL77057,10.7
+CN(C)CCCCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO,CHEMBL77659,10.3
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C(C)c2ccccc2)cc1,CHEMBL43667,8.1
+COc1ccc(S(=O)(=O)C(CC(=O)NO)c2ccccc2)cc1,CHEMBL42537,6.57
+CCCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL44045,7.51
+CCOC(=O)C1CCCC(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL40746,9.1
+COc1ccc(S(=O)(=O)C(CC(=O)NO)CC(C)CC(C)(C)C)cc1,CHEMBL42771,7.57
+COc1ccc(S(=O)(=O)C(CCC2CCCCC2)CC(=O)NO)cc1,CHEMBL46963,7.44
+COc1ccc(S(=O)(=O)C(CC(=O)NO)C2CCCCC2)cc1,CHEMBL43704,8.1
+CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL42040,8.4
+COc1ccc(S(=O)(=O)C(COCc2ccccc2)CC(=O)NO)cc1,CHEMBL45208,7.42
+CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL43447,7.52
+COC(=O)c1ccc(C(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL43011,7.06
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL70430,9.23
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1,CHEMBL306871,9.14
+CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL306912,9.36
+CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305222,9.15
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1,CHEMBL308598,7.72
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1,CHEMBL70426,8.46
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1,CHEMBL72337,7.74
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(O)cc1,CHEMBL71630,8.09
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71468,7.77
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70570,8.96
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,CHEMBL308012,8.16
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL70953,7.34
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1,CHEMBL70965,9.27
+CNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305780,8.4
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1,CHEMBL306224,9.06
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1,CHEMBL306470,8.59
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1,CHEMBL307090,8.89
+CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL303155,8.89
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL422948,9.15
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1,CHEMBL310249,9.22
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@@H]1O,CHEMBL304617,8.12
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1,CHEMBL71071,9.19
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1,CHEMBL70354,8.17
+CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71618,9.15
+CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70315,9.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1,CHEMBL70417,9.28
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL70406,7.6
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1,CHEMBL69072,7.7
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL302954,7.89
+CCCCCO[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71014,7.37
+CNC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL74175,9.02
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1,CHEMBL302368,8.7
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1,CHEMBL302311,8.72
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1,CHEMBL306524,9.28
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70398,9.33
+CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL68890,9.24
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)OC(C)C,CHEMBL70639,7.38
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOC)CC(C)C,CHEMBL308429,8.2
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1,CHEMBL72788,9.04
+CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71713,8.34
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C,CHEMBL71801,6.52
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C,CHEMBL70049,7.72
+CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70492,9.38
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL303918,6.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO,CHEMBL420932,9.36
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1,CHEMBL72743,8.14
+CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL306189,9.18
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCc1ccccc1)CC(C)C,CHEMBL430612,7.96
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70571,9.05
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCC(=O)OC)CC(C)C,CHEMBL308032,4.15
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCCN1CCOCC1,CHEMBL68149,8.52
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1,CHEMBL308397,8.09
+CC(C)C[C@H](CC(=O)NO)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL68049,7.26
+CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL304045,5.74
+CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71482,9.68
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL308228,8.72
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)NC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8930,7.47
+CCCC[C@@H](C[C@@H](CCc1ccc(/C=C/c2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8578,6.12
+CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccccc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8539,5.62
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268143,6.1
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(SC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL269613,7.89
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8984,5.74
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Cl)cc2Cl)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL263717,7.0
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2c(C)cccc2C)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL267452,5.89
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8888,7.49
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8868,7.3
+CCCC[C@@H](C[C@@H](CCc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8451,5.52
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL267503,7.77
+CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)O,CHEMBL9028,7.66
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8961,7.6
+CCCC[C@@H](C[C@@H](CCc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)O,CHEMBL6216,7.8
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8828,7.77
+CCCC[C@@H](C[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266367,5.82
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL269334,7.8
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)O,CHEMBL267533,7.6
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc3ccccc23)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8914,5.16
+CCCC[C@@H](C[C@@H](CCc1ccc(C2CCCCCC2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268883,5.72
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8282,6.24
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(N)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8847,7.42
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8753,7.77
+CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccsc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266579,7.68
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)O,CHEMBL265342,6.82
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(S(C)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266133,7.52
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL276373,7.08
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL268405,7.32
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL265075,7.21
+CCCC[C@@H](C[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8580,6.68
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL553109,7.41
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8833,7.1
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8718,7.85
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL266764,7.31
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(N)c2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)O,CHEMBL9102,6.55
+CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8634,7.33
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL9105,5.44
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ncc[nH]3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL267722,7.03
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8761,7.72
+CCCC[C@@H](C[C@@H](CCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8745,6.42
+CCCC[C@@H](C[C@@H](CCc1ccc(C2CCCO2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL418521,6.09
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL8917,5.8
+CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(OC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,CHEMBL9074,7.68
+O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccc3ncccc3c2)cc1,CHEMBL334446,5.97
+O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1,CHEMBL336900,6.17
+O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cccc3ncccc23)cc1,CHEMBL341702,6.23
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137383,6.11
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OC4CC4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137365,6.19
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137065,6.0
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL423906,6.18
+COC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL137732,5.95
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4cscn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL137323,6.32
+Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)OCc4nccs4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL422821,5.81
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL306090,9.52
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL433314,9.52
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL72511,9.3
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccccc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL76297,8.32
+CNC(=O)[C@@H]1CCCCNC(=O)C[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL46183,5.62
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL50228,5.09
+CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(=O)O,CHEMBL48786,5.81
+CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL298167,6.62
+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccc(-c3ccccc3)cc2)C(=O)N1,CHEMBL48256,6.6
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)O,CHEMBL306724,5.28
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)O)CC(C)C,CHEMBL309794,5.52
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)NO,CHEMBL75419,6.26
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(=O)NO)CC(C)C,CHEMBL306985,6.21
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL308799,6.07
+CCCCCCC(CC(=O)NO)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL77013,6.37
+CCCCCCC(CC(=O)O)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC,CHEMBL311393,5.89
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(=O)(O)CSc1ccc2ccccc2n1,CHEMBL31164,6.52
+C=C[C@@H]1OC(c2ccc(C)cc2)=N[C@H]1S,CHEMBL362099,4.06
+CC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O,CHEMBL191076,5.6
+CC1(c2ccc(OCc3ccccc3)cc2)C(=O)NC(=O)NC1=O,CHEMBL373311,6.22
+Cc1cc(COc2ccc3cc(C4(C)C(=O)NC(=O)NC4=O)ccc3c2)c2ccccc2n1,CHEMBL366060,5.48
+Cc1cc(COc2ccc(C3(N4CCN(CCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL193945,7.08
+Cc1cc(COc2ccc(C3(N4CCN(CCCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL373154,5.51
+Cc1cc(COc2ccc(C3(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL190215,6.94
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccccc3)cc2)C(=O)N1,CHEMBL178509,8.8
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N1,CHEMBL180616,9.385
+COC(=O)c1ccc(Oc2ccc(N3C(=O)CCC34C(=O)NC(=O)NC4=O)cc2)cc1,CHEMBL359716,8.33
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(C(=O)O)cc3)cc2)C(=O)N1,CHEMBL180275,9.64
+O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)N1,CHEMBL178163,8.74
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1,CHEMBL365905,5.85
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN3CC(C)C)cc2)c2ccccc2n1,CHEMBL184889,5.88
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(C(C)C)C3)cc2)c2ccccc2n1,CHEMBL184553,5.88
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(CC(C)C)C3)cc2)c2ccccc2n1,CHEMBL359569,5.66
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1,CHEMBL184302,5.81
+Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCC3)cc2)c2ccccc2n1,CHEMBL364875,5.59
+CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL181244,7.89
+CNC(=O)C1CCCCNC(=O)CCC(C(=O)O)NC(CCc2ccccc2)C(=O)N1,CHEMBL381189,5.09
+COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1,CHEMBL202932,8.3
+COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1,CHEMBL382201,5.92
+CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O,CHEMBL204357,8.15
+Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,CHEMBL228268,5.61
+CC#CCOc1ccc(S(=O)(=O)N2CC[C@@H](S)C2)cc1,CHEMBL389594,5.3
+CC#CCOc1ccc(S(=O)(=O)N(C)CCS)cc1,CHEMBL243874,5.24
+CC#CCOc1ccc(S(=O)(=O)N(C)CC(=O)NO)cc1,CHEMBL321556,7.57
+Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(S(C)(=O)=O)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL395880,5.66
+Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(C(=O)C(C)(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL240465,7.7
+Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(Cc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL240854,5.57
+Cc1cc(COc2ccc(C(=O)NCC3(C(C)C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL240653,6.03
+Cc1cc(COc2ccc(C(=O)NCC3(Cc4ccccc4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL440048,6.43
+CCC1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O,CHEMBL240464,6.7
+Cc1cc(COc2ccc(C(=O)NC3CCCCC34C(=O)NC(=O)NC4=O)cc2)c2ccccc2n1,CHEMBL442423,6.96
+Cc1cc(COc2ccc(NC(=O)[C@@H]3CCCC[C@@]34NC(=O)NC4=O)cc2)c2ccccc2n1,CHEMBL393444,6.51
+Cc1cc(COc2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,CHEMBL246563,6.25
+Cc1cc(COc2ccc(C(=O)NC3(Cc4n[nH]c(=S)[nH]4)CCOCC3)cc2)c2ccccc2n1,CHEMBL247140,5.8
+CC#CCOc1ccc(S(=O)(=O)CCCS)cc1,CHEMBL402747,5.89
+Cc1cc(COc2ccc(C(=O)N[C@@H]3CC4(C[C@@H]3C(=O)NO)OCCO4)cc2)c2ccccc2n1,CHEMBL401263,5.55
+Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL251994,5.72
+Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL401471,5.87
+CSc1nc2ccccc2n1Cc1ccc([C@]2(N)CCN([C@H](CC(C)C)C(=O)NO)C2=O)cc1,CHEMBL251866,6.52
+C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL271235,5.96
+Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL256245,5.58
+Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL256598,5.82
+COC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL256805,5.56
+CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL401979,5.77
+Cc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1,CHEMBL402636,5.86
+CCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,CHEMBL272512,5.48
+C#CCN1C[C@@H](NC(=O)c2ccc(Cc3c(C)[nH]c4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL255418,5.53
+O=S(=O)(CCC(S)CS)c1ccc(Oc2ccccc2)cc1,CHEMBL520785,7.34
+CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL485492,6.96
+CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL445971,7.8
+O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1,CHEMBL483857,7.86
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1,CHEMBL507420,6.72
+COc1ccccc1SC[C@H](CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL447457,7.52
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)CC(C)C,CHEMBL508335,8.07
+COc1ccc(-c2ccc(S(=O)(=O)N(CC(=O)NO)OC(C)C)cc2)cc1,CHEMBL560837,8.42
+CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,CHEMBL550350,7.6
+CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,CHEMBL550548,7.27
+CC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1,CHEMBL561963,9.0
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL590343,4.48
+O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL591774,6.52
+COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078396,5.34
+O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1077203,5.92
+CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651842,7.64
+CCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651843,7.15
+CCCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651844,7.47
+CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1651845,7.21
+CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651846,6.41
+CCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651847,7.05
+CCCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651848,6.55
+CC(C)CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,CHEMBL1651849,6.62
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770629,4.36
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CC2)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770649,4.69
+COc1ccc(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1,CHEMBL1770700,6.26
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CCOCC1,CHEMBL1771215,6.39
+COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CC1,CHEMBL1771216,6.64
+Cc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)nc1,CHEMBL1771217,6.96
+Cc1ccc(-c2nnnn2CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)nc1,CHEMBL1771218,6.4
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CCOCC1,CHEMBL1771219,6.39
+CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CC1,CHEMBL1771220,6.39
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cnc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1,CHEMBL1771221,6.28
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cncc3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771222,5.04
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771223,6.37
+O=C(NCc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779630,5.72
+N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834421,6.38
+N=C(N)NCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834420,6.28
+N[C@@H](CCC(=O)O)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834419,7.16
+NCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834418,7.21
+NCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834417,6.36
+Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL1834422,7.62
+Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1O,CHEMBL1834423,4.11
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(F)cc2)cc1,CHEMBL2063270,7.21
+O=S(=O)(CC1CS1)c1ccc(Oc2cccc(F)c2)cc1,CHEMBL2063271,6.35
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(I)cc2)cc1,CHEMBL2063272,6.22
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(CO)cc2)cc1,CHEMBL2063273,7.11
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(O)cc2)cc1,CHEMBL2063274,8.22
+CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063275,6.52
+COCOc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2063276,6.74
+O=S(=O)(CC1CS1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1,CHEMBL2063277,6.96
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL85030,7.96
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2153737,7.7
+O=S(=O)(N[C@@H]1CNC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380405,7.31
+O=S(=O)(N[C@H]1CNC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380399,7.495
+NCCCCCC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380404,5.15
+NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380403,8.51
+CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380402,8.42
+O=C(NCCN1C(=O)c2ccccc2C1=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380314,7.46
+CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL2380401,8.64
+NC(=O)N1C[C@H](S)[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,CHEMBL2380400,8.41
+O=C(N[C@H]1CCC[C@@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380398,5.24
+O=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(Oc2ccccc2)cc1,CHEMBL2380397,4.3
+O=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380396,7.17
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(-c2ccccc2)cc1,CHEMBL2380394,6.62
+O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccccc1,CHEMBL2380393,5.14
+O=S(=O)(N[C@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1,CHEMBL2380392,6.37
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380390,8.77
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380389,8.07
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H]1S,CHEMBL2380388,7.77
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(C)=O)C[C@H]1S,CHEMBL2380387,7.85
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S,CHEMBL2380406,6.7
+CC(C)OC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442888,6.17
+CCCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442887,6.31
+CCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442886,6.54
+COC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442885,7.3
+CC(C)NC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442884,6.38
+CCCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442883,6.25
+CCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442882,6.36
+CNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442881,6.62
+CC(C)NC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442880,6.16
+CCCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442879,6.12
+CCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442878,6.26
+CNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442893,6.41
+CC(C)OC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442892,6.32
+CCCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442891,6.51
+CCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442890,6.64
+COC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442889,6.8
+NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1,CHEMBL3670695,6.95
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diff --git a/chembl_200/CHEMBL335.csv b/chembl_200/CHEMBL335.csv
new file mode 100644
index 0000000000000000000000000000000000000000..780e7705d7d617381315d004dc4b4a768d9df9b6
--- /dev/null
+++ b/chembl_200/CHEMBL335.csv
@@ -0,0 +1,484 @@
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+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2ccccc2)C(N)=O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL293943,5.89
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL55553,6.875
+CCSCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CC)c1)NC(C)=O)C(=O)O,CHEMBL56032,6.895
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)O)C2CCCCC2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL293942,6.6
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCCCN)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL292849,6.075
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL54596,6.59
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)OC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL56882,6.27
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL54339,5.6
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL293370,6.365
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NCCc2ccccc2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL29419,5.47
+CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(Cl)cc2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL55596,5.92
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)O)C(C)CC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL294644,6.37
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@H](CCSC)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL56711,5.77
+CCCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CC)c1)NC(C)=O)C(=O)O,CHEMBL291557,6.96
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(N2CCCCC2)c1)NC(C)=O,CHEMBL67666,5.7
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(C(C)C)c1)NC(C)=O,CHEMBL65097,5.92
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NS(C)(=O)=O,CHEMBL294767,5.04
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NS(C)(=O)=O,CHEMBL68125,6.77
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O,CHEMBL303333,6.04
+NC(=O)/C=C/c1ccccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL304960,4.96
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CCO)c1)NC(C)=O,CHEMBL67740,5.82
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(C)=O,CHEMBL64917,5.01
+CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL67303,4.76
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC(C1OCCO1)C2,CHEMBL341558,5.66
+O=C(O)C(=O)Nc1ccsc1C(=O)O,CHEMBL336879,4.43
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2,CHEMBL139423,5.08
+O=C1CCc2c(sc(NC(=O)C(=O)O)c2C(=O)O)C1,CHEMBL138025,5.89
+CC(C)Cc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1,CHEMBL336435,4.89
+O=C(O)C(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O,CHEMBL139923,5.0
+O=C(O)C(=O)Nc1ccccc1C(=O)O,CHEMBL139050,4.64
+O=C(O)C(=O)Nc1cc(-c2ccc(O)cc2)sc1C(=O)O,CHEMBL337759,5.35
+O=C(O)C(=O)Nc1cc(-c2ccc(OCc3ccccc3)cc2)sc1C(=O)O,CHEMBL343979,4.8
+Nc1cccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)c1,CHEMBL139590,5.215
+O=C(O)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O,CHEMBL423546,5.1
+COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1OC,CHEMBL344585,4.6
+COc1cccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)c1,CHEMBL139024,4.92
+COc1cc(OC)cc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)c1,CHEMBL139491,5.1
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCS(=O)C2,CHEMBL139422,5.29
+O=C(O)C(=O)Nc1cc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)O,CHEMBL138659,4.59
+O=C(O)C(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O,CHEMBL344412,4.85
+O=C(O)C(=O)Nc1ccc2cc[nH]c2c1C(=O)O,CHEMBL341806,4.74
+O=C(O)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O,CHEMBL141481,5.33
+O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O,CHEMBL342478,5.1
+O=C(O)C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O,CHEMBL137867,4.89
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC(O)C2,CHEMBL139356,5.7
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCCCC2,CHEMBL138151,4.92
+O=C(O)COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1,CHEMBL138257,5.6
+COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1,CHEMBL336894,5.05
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCS(=O)(=O)C2,CHEMBL343587,5.215
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC2,CHEMBL139489,4.92
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2,CHEMBL138806,4.85
+O=C(O)C(=O)Nc1cc(-c2ccsc2)sc1C(=O)O,CHEMBL138575,4.96
+O=C(O)C(=O)Nc1cscc1C(=O)O,CHEMBL139049,4.12
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccncc1)C2,CHEMBL342603,5.06
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCC(c1ccccc1)c1ccccc1)C2,CHEMBL138106,5.23
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccc(OCc3ccccc3)cc1)C2,CHEMBL138461,4.82
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1cccc3ccccc13)C2,CHEMBL139074,4.96
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccn1)C2,CHEMBL136867,4.92
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccsc1)C2,CHEMBL341947,5.05
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccc1OCc1ccccc1)C2,CHEMBL344368,4.8
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccc(-c3ccccc3)cc1)C2,CHEMBL139196,5.1
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCCc1ccccc1)C2,CHEMBL424652,5.14
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccc3ccccc3c1)C2,CHEMBL138995,4.38
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O,CHEMBL315107,4.54
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(N(CC(C)C(=O)O)C(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL108473,5.49
+CCC(CC(=O)O)N(C(=O)C(=O)O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1,CHEMBL323498,5.74
+CCC(CN(C(=O)C(=O)O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)O,CHEMBL106993,5.77
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(N(CC(C(=O)O)c2ccccc2)C(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL322726,4.82
+CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(-c2nn[nH]n2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL51202,5.7
+O=C(CBr)c1ccc(O)cc1,CHEMBL102952,4.37
+O=C(CBr)c1ccc(F)cc1,CHEMBL317046,4.25
+O=C(CBr)c1ccc2ccccc2c1,CHEMBL101423,4.6
+O=C(CBr)c1ccc(-c2ccccc2)cc1,CHEMBL413032,4.85
+O=C(O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COc1ccc(C(=O)CBr)cc1)C(=O)O,CHEMBL105795,5.55
+O=C(O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)c1ccccc1-c1ccc(C(=O)CBr)cc1)C(=O)O,CHEMBL102756,5.0
+O=C(CBr)c1ccc(C(F)(F)F)cc1,CHEMBL105348,4.85
+O=C(CBr)c1ccccc1,CHEMBL102953,4.09
+O=C(CBr)c1cccc2ccccc12,CHEMBL320836,4.04
+CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OC(F)(C(=O)O)C(=O)O)cc2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CSCC(C(N)=O)NC1=O,CHEMBL2369450,6.77
+O=P(O)(O)COc1ccc(Cc2ccc(O)cc2)cc1,CHEMBL1161228,4.33
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)NC(C)=O,CHEMBL129671,5.21
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(O)c1)NC(C)=O,CHEMBL341103,5.05
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL126613,5.057
+CCCCC(C)NC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C2N=NN=N2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C,CHEMBL339225,5.7
+CC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(=O)O,CHEMBL324968,7.66
+COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1,CHEMBL117869,5.167000000000001
+O=C(O)c1ccc2c(C(=O)O)cccc2c1,CHEMBL420818,4.51
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL2370296,6.7
+NC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc2cc(C(F)(F)P(=O)(O)O)ccc2c1,CHEMBL99256,4.92
+O=C(O)c1cc(NCn2c(=S)[nH]c3ccccc32)ccc1O,CHEMBL289069,4.21
+O=C(O)C(=O)Nc1ccc(I)cc1C(=O)O,CHEMBL336908,4.85
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2CNC(=O)c1cc2cc(F)ccc2[nH]1,CHEMBL185891,7.74
+CCC(C)[C@H](NC(=O)C(Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O,CHEMBL183738,4.39
+CC[C@@H](C)[C@H](NC(=O)C(Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O,CHEMBL1791292,4.96
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(N)=O,CHEMBL2369718,4.74
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)C(N)=O,CHEMBL382311,6.74
+O=P(O)(O)C(F)(F)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL199263,5.96
+CN(Cc1ccccc1)C(=O)CN(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)S(=O)(=O)c1ccc(OCC(=O)O)cc1,CHEMBL198012,6.23
+O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL198882,7.25
+O=P(O)(O)C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL369943,7.01
+O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1,CHEMBL371929,7.28
+CN(C)S(=O)(=O)c1ccc(CN(Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1,CHEMBL198940,7.89
+CN(Cc1ccccc1)C(=O)CN(Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)S(=O)(=O)c1ccc(OCC(=O)O)cc1,CHEMBL372592,7.85
+COc1ccc(C2CC(c3cc(OC)c4occc4c3OC)=NO2)cc1,CHEMBL377439,4.49
+COc1c(C2=NOC(c3ccccc3)C2)cc(OC)c2occc12,CHEMBL202917,4.52
+COC(=O)C1C(c2ccc3occc3c2OC)=NOC1c1ccccc1,CHEMBL205730,4.14
+COc1ccc(C2CC(c3ccc4occc4c3OC)=NO2)cc1,CHEMBL208486,4.56
+COc1c(C2=NOC(c3ccccc3)C2)ccc2occc12,CHEMBL208485,4.35
+CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,CHEMBL168,5.22
+CC1(C)Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)C(C)(C)C1,CHEMBL377471,4.785
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)CC(=O)O)cc2)c1Br,CHEMBL215335,6.795
+CC1(C)CC(Nc2ccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)cc2)CC(C)(C)C1,CHEMBL214912,6.6
+CC(C)NC(=O)Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL386616,6.44
+COC(=O)Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL385276,6.0
+CN(c1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL438089,5.92
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1Br,CHEMBL383882,6.7
+CS(=O)(=O)Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL214794,6.13
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(C(=O)Nc3ccccc3)cc2)c1Br,CHEMBL212285,5.6
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3ccccc3)cc2)c1Br,CHEMBL212232,6.22
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3cccnc3)cc2)c1Br,CHEMBL214378,6.13
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3ccco3)cc2)c1Br,CHEMBL387242,6.21
+CC(=O)Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL214911,6.3
+Nc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL212335,5.8
+O=C(O)COc1c(C(=O)O)sc(-c2ccc3cc[nH]c3c2)c1Br,CHEMBL383967,6.24
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(O)c2)c1Br,CHEMBL213662,6.0
+COc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1,CHEMBL385896,5.52
+O=C(O)COc1c(C(=O)O)sc(-c2ccc(O)cc2)c1Br,CHEMBL214502,6.52
+O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccoc3c2)c1Br,CHEMBL215243,5.3
+O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccccc3c2)c1Br,CHEMBL215242,5.48
+O=C(O)COc1c(C(=O)O)sc(-c2cccnc2)c1Br,CHEMBL215656,5.4
+O=C(O)COc1c(C(=O)O)sc(-c2ccsc2)c1Br,CHEMBL373883,5.85
+O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1Br,CHEMBL213758,5.622999999999999
+O=C(O)COc1c(C(=O)O)sc(Br)c1Br,CHEMBL373413,4.74
+CC(=O)c1c(O)ccc2cc(-c3coc4c(C(C)=O)c(O)ccc34)oc12,CHEMBL224039,4.23
+COc1ccc(-c2cc(=O)c3cc4ccoc4cc3o2)cc1,CHEMBL223067,4.48
+O=c1cc(-c2ccccc2)oc2cc3occc3cc12,CHEMBL388814,4.295
+CC(=O)c1ccc2oc(-c3coc4ccc(C(C)=O)c(O)c34)cc2c1O,CHEMBL224735,4.51
+CC(=O)c1cc2cc(-c3coc4cc(O)c(C(C)=O)cc34)oc2cc1O,CHEMBL376340,4.32
+C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C,CHEMBL169,5.33
+O=C(O)c1cc(-c2ccccc2)cc(Cc2cc(-c3ccccc3)cc(C(=O)O)c2O)c1O,CHEMBL228563,5.19
+Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O,CHEMBL184041,5.82
+O=C(O)c1cc(Cc2cc(Cc3ccccc3)c(O)c(C(=O)O)c2)cc(Cc2ccccc2)c1O,CHEMBL3706920,5.2
+O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O,CHEMBL228397,5.03
+Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1,CHEMBL243508,5.77
+Cc1cccc(C)c1NC(=O)N1CCC(CNc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL243268,8.52
+Cc1ccccc1NC(=O)N1CCC(CNc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL397415,8.52
+COc1ccccc1NC(=O)N1CCC(CNc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL243267,8.52
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4Cl)CC3)c2)c1Br,CHEMBL387614,8.4
+CS(=O)(=O)Nc1ccccc1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL395722,9.0
+CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL397903,7.85
+CC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL230862,8.7
+Nc1ccccc1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL230860,8.7
+Cc1cccc(C)c1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL230752,8.22
+Cc1ccccc1CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL390245,8.4
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4C(F)(F)F)CC3)c2)c1Br,CHEMBL230751,8.22
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)c2)c1Br,CHEMBL230645,8.3
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)c2)c1Br,CHEMBL390244,8.0
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)c2)c1Br,CHEMBL230643,7.42
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br,CHEMBL230543,7.89
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br,CHEMBL230325,8.15
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br,CHEMBL429105,6.51
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL388426,7.13
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(OC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL244564,7.62
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Cl,CHEMBL244563,9.17
+Cc1c(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc(C(=O)O)c1OCC(=O)O,CHEMBL244361,8.1
+O=C(O)COc1cc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc1C(=O)O,CHEMBL388425,5.7
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL541214,8.4
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br,CHEMBL244360,7.26
+CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL244148,7.36
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(C(=O)NCc4ccccc4)CC3)c2)c1Br,CHEMBL396555,6.52
+COC(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL244147,6.41
+CC(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1,CHEMBL396554,6.72
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCNCC3)c2)c1Br,CHEMBL244146,5.42
+CC1(C)CC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC(C)(C)C1,CHEMBL243942,7.515
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCOCC3)c2)c1Br,CHEMBL394853,6.51
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCCC3)c2)c1Br,CHEMBL243941,6.92
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCC3)c2)c1Br,CHEMBL394852,6.41
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCC3)c2)c1Br,CHEMBL243940,6.68
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCCCC3)c2)c1Br,CHEMBL243732,6.7
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCc3ccccc3)c2)c1Br,CHEMBL394851,6.17
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCc3ccccc3)c2)c1Br,CHEMBL243731,6.33
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1Br,CHEMBL397255,6.36
+COC(=O)Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1,CHEMBL243730,5.7
+CC(C)NC(=O)Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1,CHEMBL243510,5.68
+O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC(=O)c3ccccc3)c2)c1Br,CHEMBL397254,5.68
+CCC(=O)Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1,CHEMBL243509,5.7
+COc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1,CHEMBL397253,5.4
+O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1ccc(C(F)(F)F)cc1,CHEMBL238138,5.96
+O=C1CN(c2csc(-c3ccccc3)c2Br)S(=O)(=O)N1,CHEMBL241250,4.74
+Cc1c(N2CC(=O)NS2(=O)=O)csc1-c1ccccc1,CHEMBL394483,4.39
+Cc1c(-c2cccc(OC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc(-c2nn[nH]n2)c1OCC(=O)O,CHEMBL401240,5.89
+O=C(O)COc1c(-c2nn[nH]n2)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL241070,6.52
+CC(=O)N(c1cccc(-c2sc(-c3nn[nH]n3)c(OCC(=O)O)c2Br)c1)C1CC(C)(C)CC(C)(C)C1,CHEMBL240873,5.34
+CC1(C)CC(Nc2cccc(-c3sc(-c4nn[nH]n4)c(OCC(=O)O)c3Br)c2)CC(C)(C)C1,CHEMBL400023,5.8
+O=C(O)COc1c(-c2nn[nH]n2)sc(-c2cccc(NC3CCCCC3)c2)c1Br,CHEMBL400022,4.74
+O=C(O)COc1c(-c2nn[nH]n2)sc(-c2ccccc2)c1Br,CHEMBL398781,4.7
+O=C1CN(c2c(Cl)sc(-c3ccccc3)c2Cl)S(=O)(=O)N1,CHEMBL392396,4.8
+Cc1c(N2CC(=O)NS2(=O)=O)csc1-c1cccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1,CHEMBL238538,5.37
+Cc1c(N2CC(=O)NS2(=O)=O)csc1-c1cccc(NC2CC(C)(C)CC(C)(C)C2)c1,CHEMBL239362,4.82
+NS(=O)(=O)N(c1cccc(-c2scc(N3CC(=O)NS3(=O)=O)c2Cl)c1)C1CCCCC1,CHEMBL393538,5.77
+O=C1CN(c2csc(-c3cccc(NC4CCCCC4)c3)c2Cl)S(=O)(=O)N1,CHEMBL241461,4.85
+Cc1c(N2CC(=O)NS2(=O)=O)csc1-c1cccc(NC2CCCCC2)c1,CHEMBL393537,4.92
+O=C1CN(c2csc(-c3ccccc3)c2Cl)S(=O)(=O)N1,CHEMBL394484,4.8
+O=C1C[C@]2(O)c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@@H]32,CHEMBL403094,5.82
+NS(=O)(=O)C(F)(F)c1cc(-c2ccc(CSCc3ccc(C(F)(F)S(=O)(=O)O)c(Br)c3)cc2)ccc1Br,CHEMBL1162227,5.48
+NS(=O)(=O)C(F)(F)c1cc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)ccc1Br,CHEMBL1162226,7.62
+NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(CS(=O)(=O)O)c(Br)c3)cc2)ccc1Br,CHEMBL1162225,4.99
+NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(C(F)(F)S(=O)(=O)O)c(Br)c3)cc2)ccc1Br,CHEMBL1162224,4.97
+CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(C(F)(F)P(=O)(O)O)c1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(N)=O,CHEMBL1162228,7.62
+Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1,CHEMBL401612,5.15
+CCOc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1,CHEMBL401525,4.69
+CN(C)CCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1,CHEMBL510225,4.57
+CCN(CC)CCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1,CHEMBL506882,4.46
+c1ccc2c(c1)ccc1oc(-c3ccc(OCCN4CCCC4)cc3)nc12,CHEMBL456025,4.45
+c1ccc2c(c1)ccc1oc(-c3ccc(OCCN4CCCCC4)cc3)nc12,CHEMBL467572,4.565
+CCCCN(C)CCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1,CHEMBL512442,4.37
+CN(C)CCCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1,CHEMBL510460,4.455
+CCN(CC)CCCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1,CHEMBL458009,4.39
+O=c1c(Cc2ccc(-c3ccccc3)cc2)c(-c2ccc(O)cc2)oc2cc(O)ccc12,CHEMBL492717,4.54
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)OC(C)(C)C,CHEMBL540263,5.7
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)ccc1N(C(=O)C(=O)O)c1cc(Cl)ccc1C(=O)O,CHEMBL564753,7.2
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL538428,6.2
+COCCC(CN(C(=O)C(=O)O)c1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)O,CHEMBL553907,5.1
+CC(=O)N1CCC(C(=O)Nc2cccc(-c3cc(C(=O)O)no3)c2)CC1,CHEMBL560490,4.1
+CNC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2cc(C(=O)O)no2)c1,CHEMBL560950,5.2
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2nccs2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL538362,6.2
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(C(=O)O)c2c[nH]c3ccccc23)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL554572,6.6
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2cccs2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL542009,6.4
+COC(=O)c1c(O)cccc1OCCCCCN1CCc2ccc(N(C(=O)C(=O)O)c3ccccc3C(=O)O)cc2C1,CHEMBL556110,5.0
+O=C(O)c1cc(-c2cccc(-c3cccc(-c4cc(C(=O)O)no4)c3)c2)on1,CHEMBL550541,4.1
+O=C(O)C(=O)N(c1cc(O)ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL550542,5.7
+CC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCCO,CHEMBL556870,4.9
+CC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCCCN1CCCC1=O,CHEMBL557759,5.1
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL539916,6.8
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N2CCC[C@@H]2C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL556112,5.7
+CCCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NC(=O)NC(C)C,CHEMBL539154,6.5
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL561150,4.773
+CCCCCNC(=O)C(Cc1ccc(N2CCCCC2)c(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1)NC(C)=O,CHEMBL551485,4.7
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NS(C)(=O)=O,CHEMBL549752,6.712999999999999
+Cn1ccc2c(N(C(=O)C(=O)O)c3ccccc3C(=O)O)cccc21,CHEMBL564403,4.4
+O=C(O)c1ccc(O)cc1-n1c(=O)c(=O)oc2ccccc21,CHEMBL553867,5.9
+COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(N(CC(Cc2ccccc2)C(=O)O)C(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL539950,5.3
+C=CCOC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)NCCOCCOc1cccc(O)c1C(=O)OC,CHEMBL555015,6.4
+O=C(O)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL562238,5.1
+CCC(CN(C(=O)C(=O)O)c1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)O,CHEMBL540187,5.8
+COC(=O)c1c(O)cccc1OCCCCNCCCc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12,CHEMBL556729,6.2
+COC(=O)N[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)NCCCCOc1cc(OC(C)C)cc(O)c1C(=O)OC,CHEMBL541768,5.4
+CC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CCO)c1)C(=O)O,CHEMBL551844,5.2
+COC(=O)c1c(O)cccc1OC/C=C/c1ccc2c(c1)-c1onc(C(=O)O)c1CC2,CHEMBL185872,4.9
+CC[C@H](C)[C@H](NC(=O)CCCCNC(=O)[C@@H](Cc1ccc(NC(=O)C(=O)O)c(C(=O)O)c1)NC(C)=O)C(=O)O,CHEMBL550132,4.7
+COC(=O)N[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)NCCCCOc1cc(-c2ccccc2)cc(O)c1C(=O)OC,CHEMBL541952,6.0
+COC(=O)c1c(O)cccc1OCCNc1cccc(-c2cc(C(=O)O)no2)c1,CHEMBL363687,4.3
+CCCCCCNC(=O)Nc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12,CHEMBL564603,5.2
+CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(=O)O,CHEMBL1230341,7.7
+COC(=O)c1c(O)cccc1OCCCCNC(C)CCc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12,CHEMBL555016,6.5
+O=C(O)C(=O)N(c1ccccc1/C=C/CO)c1ccccc1C(=O)O,CHEMBL559768,4.3
+CC[C@H](C)[C@H](NC(=O)CCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(C)=O)C(=O)O,CHEMBL556738,5.4
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C,CHEMBL539951,5.9
+CN(C(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)OC(C)(C)C)C1CCC(C(=O)O)CC1,CHEMBL555276,5.0
+O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCCC(CO)C1,CHEMBL551297,4.7
+NC(=O)c1ccc2cccc(N(C(=O)C(=O)O)c3ccccc3C(=O)O)c2c1,CHEMBL561501,5.4
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL562239,6.2
+CCCC[C@H](NC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(=O)OC)C(=O)OC,CHEMBL538192,6.4
+O=C(O)c1cc(-c2cccc(/C=C/COc3cccc(O)c3[N+](=O)[O-])c2)on1,CHEMBL549754,4.8
+CCCCCN1C(=O)C(=O)N(C(=O)NC(C)C)[C@H](Cc2ccc(Nc3ccccc3C(=O)O)c(CCC(N)=O)c2)C1=O,CHEMBL553247,5.7
+O=C(O)C(=O)N(c1cc(Cl)ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL559892,5.4
+O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cc([N+](=O)[O-])cc2ccccc12,CHEMBL551222,5.0
+CCc1cc(CC(NC(C)=O)C(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)NC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL539914,5.7
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL557758,5.46
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL556275,6.4
+O=C(O)C(=O)N(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)O,CHEMBL563483,4.0
+CC[C@H](C)[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O)C(=O)O,CHEMBL554920,6.7
+COC(=O)c1cc2ccccc2c(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1O,CHEMBL559264,5.4
+C=CCOC(=O)N[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1,CHEMBL501484,5.4
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NC(=O)OC(C)(C)C,CHEMBL501485,5.9
+O=C(O)C(=O)N(c1ccccc1C(=O)O)c1c(O)ccc2ccccc12,CHEMBL563043,5.1
+COC(=O)c1c(O)cccc1OCCCCNC(=O)CCc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12,CHEMBL553641,6.6
+COC(=O)c1c(O)cccc1OCCn1ccc2ccc(-c3cc(C(=O)O)no3)cc21,CHEMBL563006,4.3
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O,CHEMBL558555,7.7
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC2CCCCC2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL556331,5.4
+N#Cc1ccc(C(=O)O)c(N(C(=O)C(=O)O)c2cccc3ccc(O)cc23)c1,CHEMBL551084,5.4
+COC(=O)c1c(O)cccc1OC[C@H]1C[C@H]1c1cccc(-c2cc(C(=O)O)no2)c1,CHEMBL560091,4.6
+CCCCCN1C(=O)C(=O)N(C(C)=O)C(Cc2ccc(N(C(=O)C(=O)O)c3ccccc3C(=O)O)c(CC)c2)C1=O,CHEMBL556452,5.3
+COC(=O)c1c(O)cccc1OC(/C=C/c1cccc(-c2cc(C(=O)O)no2)c1)CO,CHEMBL541775,4.3
+CC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CCO)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1,CHEMBL539915,6.6
+O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCC(CO)CC1,CHEMBL565047,4.9
+COC(=O)NC(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCc1ccc(S(C)(=O)=O)cc1,CHEMBL557677,6.2
+COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(=O)O)c(O)c1)NC(C)=O,CHEMBL560812,5.1
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCO[C@H]2COC1=NS(=O)(=O)c2ccccc21,CHEMBL577144,5.96
+O=C(O)COc1c(C(=O)O)sc2c1sc1ccccc12,CHEMBL583175,5.39
+O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1,CHEMBL574813,5.68
+COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O,CHEMBL601733,5.74
+Cc1sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)cc1C1CC(=O)NS1(=O)=O,CHEMBL592060,5.37
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN[C@H]2CNC(=O)c1cc2cc(F)ccc2[nH]1,CHEMBL591998,7.74
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)NC2CC2)cc1)NC(=O)OC(C)(C)C,CHEMBL590236,5.077
+CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL590122,7.74
+CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1,CHEMBL1077438,7.0
+O=C(O)C(=O)Nc1cc2ccccc2cc1C(=O)O,CHEMBL383570,5.0
+O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC1(C2)OCCO1,CHEMBL198589,5.66
+CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL1241315,7.74
+CCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(N)=O)c1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL1765345,7.59
+CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4ncc(C(C)(C)C)s4)n3)cc2)cc1,CHEMBL1765350,6.66
+Cc1ccc(C)n1-c1ccc(O)cc1C(=O)O,CHEMBL1765360,5.52
+CC(C)(C)OC(=O)N[C@@H](COCc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)C(=O)O,CHEMBL1795950,5.41
+O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\c2ccc(C(F)(F)F)cc2)cc1,CHEMBL2011701,5.92
+N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O,CHEMBL1232859,8.62
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)no1,CHEMBL2017836,5.96
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n[nH]1,CHEMBL2017837,4.79
+Cn1nc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)cc1C(=O)O,CHEMBL2017838,5.11
+O=C(O)c1coc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n1,CHEMBL2017839,5.11
+O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n1,CHEMBL2017840,5.92
+O=C(O)c1ccc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)[nH]1,CHEMBL2017841,5.54
+O=C(O)C1CC(=O)N(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1,CHEMBL2017842,5.11
+O=C(O)C1CCN(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1=O,CHEMBL2017843,5.29
+O=C(O)c1onc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)c1C(=O)O,CHEMBL2017844,4.4
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3cc(F)cc(F)c3)c3ccc(F)cc3)cc2)no1,CHEMBL2017845,5.62
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)cc2)no1,CHEMBL2017846,5.82
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)no1,CHEMBL2017847,5.85
+O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)no1,CHEMBL2017848,6.1
+O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)n1,CHEMBL2017849,5.74
+O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)n1,CHEMBL2017850,6.22
+O=C(O)c1cc(-c2ccc(CC(c3ccccc3)c3nc(-c4ccccc4)no3)cc2)no1,CHEMBL2017851,5.4
+COc1ccc(-c2noc(C(Cc3ccc(-c4cc(C(=O)O)on4)cc3)c3ccc(F)cc3)n2)cc1,CHEMBL2017852,6.4
+COc1ccc(C(Cc2ccc(-c3cc(C(=O)O)on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1,CHEMBL2017853,6.52
+O=C(O)c1csc(-c2ccc(CC(c3ccc(F)cc3)c3nc(-c4cccc(F)c4)no3)cc2)n1,CHEMBL2017854,6.3
+COc1ccc(C(Cc2ccc(-c3nc(C(=O)O)cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1,CHEMBL2017855,6.3
+CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1,CHEMBL2002784,5.21
+CCOC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1,CHEMBL2035961,5.1
+CCOC(=O)C(=O)Nc1nc2ccc(F)cc2s1,CHEMBL2035962,5.1
+CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1,CHEMBL463665,5.15
+CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1,CHEMBL472646,5.1
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL2205895,6.08
+CCc1cc(C[C@H](NC(C)=O)C(=O)NCc2ccc(OC)cc2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2235521,5.325
+CCc1cc(C[C@H](NC(C)=O)C(=O)NCc2ccc(Cl)cc2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2235520,5.92
+CCc1cc(C[C@H](NC(C)=O)C(=O)N[C@H](CCSC)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2235519,5.765
+CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2ccccc2)C(N)=O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2235518,5.89
+CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)NCCc2ccccc2)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2235517,5.47
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NS(C)(=O)=O,CHEMBL2235516,5.04
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(C)=O,CHEMBL2235515,5.01
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCCCC1,CHEMBL2235928,4.85
+C=C(O)C(=O)N(c1ccccc1/C=C/C(N)=O)c1ccccc1C(=O)O,CHEMBL2235927,4.96
+C=C(O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)O,CHEMBL2235926,4.77
+C=C(O)C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(=O)O,CHEMBL2235925,4.62
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1C(C)C,CHEMBL2235924,4.455
+C=C(O)C(=O)N(c1ccccc1CC)c1ccccc1C(=O)O,CHEMBL2235528,4.22
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2c1CCCC2,CHEMBL2235527,4.13
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL2235526,4.77
+C=C(O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(=O)O,CHEMBL2235525,4.41
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccccc12,CHEMBL2235524,4.62
+C=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc(C)c1C,CHEMBL2235523,4.03
+CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O,CHEMBL1230658,5.96
+COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C(N)=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL2235522,4.86
+CCC(CC(=O)O)N(C(=O)C(=O)O)c1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1,CHEMBL2235930,5.74
+COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(N(CC(C(=O)O)c2ccccc2)C(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL2235929,4.82
+CC(=O)Oc1ccc(C2=NOC(c3ccccc3)C2)c(OC(C)=O)c1,CHEMBL2259735,4.6
+COc1ccc(C2=NOC(n3ccnc3)C2)c(OC)c1,CHEMBL2259730,4.2
+COc1ccc(C2CC(c3ccc(OC)cc3OC)=NO2)cc1,CHEMBL2259741,4.32
+COc1ccc(C2=NOC(c3ccccc3)C2)c(OC)c1,CHEMBL2259740,4.32
+COc1c(C2=NOC(c3ccccn3)C2)ccc2c1C=CC(C)(C)O2,CHEMBL2259739,4.47
+COc1ccc(C2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1,CHEMBL2259738,4.25
+COc1c(C2=NOC(c3ccccc3)C2)ccc2c1C=CC(C)(C)O2,CHEMBL2259737,4.52
+COc1ccc(C(=O)CCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1,CHEMBL2349152,5.24
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1,CHEMBL2377807,4.08
+CC(=O)NS(=O)(=O)C(Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2377805,4.2
+CC(C)Oc1ccc(NS(=O)(=O)C(Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1,CHEMBL2377804,4.04
+COc1ccc(NS(=O)(=O)C(Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1,CHEMBL2377803,4.16
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL2377802,4.63
+Cc1ccc(NS(=O)(=O)C(Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1,CHEMBL2377801,4.21
+CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)C(Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1,CHEMBL2377799,4.83
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(OC(F)(F)F)cc2)cc1,CHEMBL2377798,4.77
+COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1,CHEMBL2377797,4.85
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1,CHEMBL2375447,5.11
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cc1,CHEMBL2375446,4.46
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1,CHEMBL2375445,5.17
+O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1,CHEMBL2375444,5.17
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1,CHEMBL2375443,5.0
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)NCCc2ccc(Cl)cc2)cc1,CHEMBL2375442,4.39
+CCCCNS(=O)(=O)C(Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2375441,4.08
+O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1,CHEMBL2375437,4.46
+O=C(O)COc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)Nc2ccc(F)cc2)cc1O,CHEMBL2375436,4.18
+O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3[nH]2)S(=O)(=O)Nc2ccc(F)cc2)cc1,CHEMBL2375434,4.17
+COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(=O)O)cc1)NC(C)=O,CHEMBL2375431,5.21
+COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(=O)O)cc1)NC(=O)OC(C)(C)C,CHEMBL2377809,5.06
+CCc1cc(CN(C(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL2377808,7.74
+CCCOc1c2cccc1Cc1cc(C(O)(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cccc(c1O)C2,CHEMBL2430577,6.17
+CCCOc1c2cccc1Cc1cc(C(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cccc(c1O)C2,CHEMBL611611,6.07
+COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCCc1ccccc1,CHEMBL3098853,5.82
+COc1cc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCCc1ccccc1,CHEMBL3098944,5.85
+COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCCc1ccccc1,CHEMBL3098854,5.82
+O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)S/C2=N\c2ccccc2)cc1,CHEMBL3098852,6.3
+O=C(O)c1ccc(CN2C(=O)S/C(=C\c3ccc(OCCc4ccccc4)cc3)C2=O)cc1,CHEMBL3098942,5.64
+O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccccc1[N+](=O)[O-],CHEMBL3220071,5.1
+CN(C)c1cccc2c(S(=O)(=O)N(C)CC(=O)N(Cc3ccc(C4CCCCC4)cc3)c3ccc(C(=O)O)c(O)c3)cccc12,CHEMBL1829872,5.4
+CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1cccc2ccccc12,CHEMBL1829871,5.68
+CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1829864,5.25
+CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C,CHEMBL3343064,5.32
+CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,CHEMBL3343062,5.68
+CCOC(=O)/C(O)=C/C(=O)c1cccc(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)c1,CHEMBL3309789,5.88
+COCc1ccc(-c2ccc(O)cc2O)c(C(O)(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1,CHEMBL3394772,4.82
+OCc1ccc(-c2ccc(O)cc2O)c(C(O)(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1,CHEMBL3394771,4.99
+COc1ccc(C(=C2C=CC(=O)C=C2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)cc1,CHEMBL3394770,5.05
+Cn1ccc2c3n(c(=O)c(=O)cc1-3)c1ccccc21,CHEMBL3400663,5.15
+Cc1c2n(C)ccc3c-2n(c(=O)c1=O)c1ccccc31,CHEMBL3400664,4.7
+CCc1c2n(C)ccc3c-2n(c(=O)c1=O)c1ccccc31,CHEMBL3400665,4.7
+COc1ccc2c3ccn(C)c4cc(=O)c(=O)n(c3-4)c2c1,CHEMBL3400666,4.89
+COc1cc2nccc3c4ccccc4n(c1=O)c23,CHEMBL508649,4.99
+CC(=O)Oc1cc2nccc3c4ccccc4n(c1=O)c23,CHEMBL3400667,4.74
+CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(N)=O,CHEMBL3426930,7.59
+O=C(O)c1c(-c2ccc(O)cc2)ccc(CO)c1C#Cc1ccc(O)cc1,CHEMBL3585679,4.84
+O=C1C[C@@H](c2cc(-c3c(O)ccc4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc2O)Oc2cc(O)cc(O)c21,CHEMBL3585680,4.98
+O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,CHEMBL63354,5.11
+O=c1cc(-c2ccc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c2)oc2cc(O)cc(O)c12,CHEMBL63677,5.17
+O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12,CHEMBL1208973,4.97
+O=c1cc(-c2ccc(O)c(-c3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)c2)oc2cc(O)cc(O)c12,CHEMBL272861,5.35
+O=c1c(-c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL515252,5.34
+NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL1232186,8.77
+O=C(Cn1cc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2cccc3cccnc23)nn1)Nc1ccc(C(=O)O)c(O)c1,CHEMBL3632912,5.74
+NC(=O)[C@@H](CS)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL1235987,8.85
+COc1ccc(CCC(O)=C2C(=O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1O,CHEMBL3753821,4.75
+COc1ccc(CC/C(O)=C2\C(=O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1O,CHEMBL3754570,4.91
+COc1ccc(CCC(O)=C2C(=O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1,CHEMBL3754629,5.47
+CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C=CC(C)(C)O2,CHEMBL459129,5.36
+CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O,CHEMBL2442947,5.6
+CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O,CHEMBL494252,5.02
+COc1cc(-c2coc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O,CHEMBL2442946,4.72
+CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,CHEMBL238188,4.52
+COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,CHEMBL3787288,5.51
+CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(CCSC)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O,CHEMBL3818765,7.12
+CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NS(C)(=O)=O,CHEMBL3818451,6.77
+NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL3818452,8.31
diff --git a/chembl_200/CHEMBL3371.csv b/chembl_200/CHEMBL3371.csv
new file mode 100644
index 0000000000000000000000000000000000000000..86a1529289ba7a68bd7480486689ffc53604b799
--- /dev/null
+++ b/chembl_200/CHEMBL3371.csv
@@ -0,0 +1,2457 @@
+CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1,CHEMBL433461,7.285
+CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1,CHEMBL355905,8.4
+CO[C@H]1c2cccc3c2c(cn3S(=O)(=O)c2ccc(C)cc2)C[C@@H]1N(C)C,CHEMBL338290,6.89
+COc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1ccccc1,CHEMBL339337,7.4
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccs1,CHEMBL339741,8.08
+COc1ccc2c(c1)c(CCN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1,CHEMBL338380,6.31
+COc1ccc2c(c1)c(CCN(C)C)c(C)n2S(=O)(=O)c1ccccc1,CHEMBL126374,7.92
+CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL92139,8.82
+CN(C)CCc1cccc2[nH]c(C(=O)c3ccccc3)cc12,CHEMBL124382,6.59
+COc1ccc2c(c1)c(CCN1CCOCC1)cn2S(=O)(=O)c1ccccc1,CHEMBL339913,5.77
+COc1ccc2[nH]c(C)c(CCN(C)C)c2c1,CHEMBL7143,7.147
+COc1ccc2c(c1)c(CCN1CCCC1)cn2S(=O)(=O)c1ccccc1,CHEMBL127975,7.36
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(C)cc1,CHEMBL127732,7.35
+CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL263700,7.27
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12,CHEMBL341495,6.49
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc(Cl)c1,CHEMBL127636,8.1
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(O)cc12,CHEMBL112024,7.635
+CN(C)CCc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12,CHEMBL126420,6.43
+CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,CHEMBL126340,8.52
+COc1ccc2c(c1)C(CCN(C)C)CN2S(=O)(=O)c1ccccc1,CHEMBL124971,7.2
+NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL125745,8.62
+CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,CHEMBL317535,7.7
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1,CHEMBL127411,8.13
+COc1cccc(Cc2noc(-c3[nH]c4ccccc4c3CCN(C)C)n2)c1,CHEMBL329329,8.89
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1Cl,CHEMBL129614,7.96
+COc1ccc2c(c1)c(CCN1CCCCC1)cn2S(=O)(=O)c1ccccc1,CHEMBL126263,6.46
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc12,CHEMBL127089,7.48
+CN(C)CCc1cn(S(C)(=O)=O)c2ccccc12,CHEMBL127232,6.21
+COc1ccc2c(c1)c(CCN(C)C)cn2C(=O)c1ccccc1,CHEMBL316881,7.67
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL93868,8.467
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(F)c2Br)cc1N1CCNCC1,CHEMBL329383,8.524
+CC[C@@](C)(CO)CNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL97518,6.74
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,CHEMBL274384,7.77
+c1ccc2c(N3CCNCC3)cccc2c1,CHEMBL277120,6.9670000000000005
+Clc1cccc(N2CCNCC2)c1,CHEMBL478,5.64
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,7.33
+NCCc1c[nH]c2ccc(C(N)=O)cc12,CHEMBL18840,6.07
+c1ccc2nc(N3CCNCC3)ccc2c1,CHEMBL18772,5.44
+CNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL96729,5.59
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL13816,6.4
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CHEMBL267930,5.8
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,5.55
+CCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL112296,9.22
+CNCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12,CHEMBL111943,7.64
+CN(C)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL94093,9.1
+CCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12,CHEMBL322980,7.05
+CN(C)Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL329739,8.16
+Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL328816,7.917000000000001
+CN(C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL94422,8.513
+CCN(CC)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12,CHEMBL333373,8.215
+COc1ccc2c(c1)c(CCN(C)Cc1ccccc1)cn2S(=O)(=O)c1ccccc1,CHEMBL112285,7.37
+CCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccc(OC)cc12,CHEMBL326937,9.22
+CCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccc(OC)cc12,CHEMBL325428,6.64
+CC(=O)Nc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1,CHEMBL324766,7.57
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(NC(C)=O)cc1,CHEMBL419398,7.47
+COc1ccc2c(c1)c(CCN(C)Cc1ccccc1)cn2S(=O)(=O)c1ccc(N)cc1,CHEMBL114048,8.52
+COc1ccc2[nH]c3c(c2c1)CCN=C3C,CHEMBL338115,5.71
+CC1=NCCc2c1[nH]c1ccccc21,CHEMBL295234,5.84
+COc1ccc2c(c1)[nH]c1c(C)nccc12,CHEMBL269538,5.83
+COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,CHEMBL7318,7.581
+COc1ccc2[nH]c3c(c2c1)C(CN(C)C)CCC3,CHEMBL7228,6.77
+COc1ccc2c(c1)c(CCN(C)C)cn2C,CHEMBL7220,6.29
+COc1ccc2c(c1)c(CCN(C)C)c1n2CCCC1,CHEMBL7172,5.99
+NCCc1c[nH]c2ccccc12,CHEMBL6640,6.945
+CCn1cc(CCN(C)C)c2cc(OC)ccc21,CHEMBL7166,6.62
+Cc1[nH]c2ccccc2c1CCN(C)C,CHEMBL7580,6.52
+COc1ccc2c(c1)c(CCN(C)C)cn2C(C)C,CHEMBL7173,6.89
+COc1ccc2[nH]c(C)c(CCN)c2c1,CHEMBL268800,7.055
+CCCn1cc(CCN(C)C)c2cc(OC)ccc21,CHEMBL7732,6.7
+CCCc1[nH]c2ccc(OC)cc2c1CCN(C)C,CHEMBL7379,6.73
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,5.75
+COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc2ccccc12,CHEMBL443796,9.05
+COc1ccc(OC)c(S(=O)(=O)n2cc(CCN(C)C)c3cc(OC)ccc32)c1,CHEMBL75734,8.89
+COc1cccc2c(CCN(C)C)cn(S(=O)(=O)c3ccc(Cl)cc3)c12,CHEMBL75029,7.35
+COc1ccc(OC)c(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)c1,CHEMBL306569,6.74
+COc1ccc(OC)c(S(=O)(=O)n2cc(CCN(C)C)c3ccc(OC)cc32)c1,CHEMBL419824,8.02
+COc1cccc2c(CCN(C)C)cn(S(=O)(=O)c3ccc4ccccc4c3)c12,CHEMBL72554,8.3
+COc1ccc(OC)c(S(=O)(=O)n2cc(CCN(C)C)c3c(OC)cccc32)c1,CHEMBL75758,8.13
+COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)cc1,CHEMBL74378,7.03
+O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(C3CCN4CCCC4C3)cc21,CHEMBL299822,9.14
+O=S(=O)(c1ccc(F)cc1F)n1ccc2ccc(N3CCN4CCCCC4C3)cc21,CHEMBL49598,8.44
+O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(C3=CCN4CCCC4C3)cc21,CHEMBL416638,8.895
+O=S(=O)(c1ccccc1)n1ccc2ccc(N3CCN4CCCCC4C3)cc21,CHEMBL45695,8.24
+Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCCC5C4)cc32)cc1,CHEMBL47691,8.48
+O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(C3(O)CCN4CCCC4C3)cc21,CHEMBL45987,8.33
+Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCCCC5C4)cc32)cc1,CHEMBL299569,8.31
+O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(N3CCN4CCCCC4C3)cc21,CHEMBL298274,8.77
+O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccc(N3CCN4CCCCC4C3)cc21,CHEMBL45977,8.52
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL73979,6.52
+OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL77855,6.37
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL74756,6.86
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL78218,5.52
+O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL306478,7.31
+COc1ccc2c(c1)c1c(n2Cc2ccc(N)cc2)CCCC1,CHEMBL368783,5.22
+COc1ccc2c(c1)c1c(n2C(=O)c2ccc(N)cc2)CCCC1,CHEMBL177233,5.22
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3cccnc23)CCCC1CN(C)C,CHEMBL425328,8.12
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(N)cc2)CCCC1CN(C)C,CHEMBL175068,8.7
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(I)cc2)CCCC1CN(C)C,CHEMBL366935,8.62
+COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN,CHEMBL176838,6.52
+Nc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1,CHEMBL2113365,7.31
+COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN(C)C,CHEMBL329046,6.87
+COc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)c1,CHEMBL353552,9.52
+COc1ccc(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)cc1,CHEMBL368294,7.33
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CCCC1CN(C)C,CHEMBL92093,8.7
+COc1ccc2c(c1)c1c(n2S(=O)(=O)Cc2ccccc2)CCCC1CN(C)C,CHEMBL368132,6.7
+COc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(N)cc1,CHEMBL1189868,7.54
+CN(C)CC1CCCc2c1c1ccccc1n2Cc1ccccc1,CHEMBL435534,7.03
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc3ccccc3c2)CCCC1CN(C)C,CHEMBL177107,8.29
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCCC1CN(C)C,CHEMBL368746,8.3
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CCCC1CN(C)C,CHEMBL178691,8.03
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3ccccc23)CCCC1CN(C)C,CHEMBL435524,7.85
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,5.13
+CCCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL28833,5.19
+FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL283036,5.15
+Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL267014,5.78
+CCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL282829,5.35
+CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1,CHEMBL105261,5.95
+C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133455,5.66
+CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3,CHEMBL133868,6.4
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)cc1,CHEMBL261917,9.2
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL316081,9.0
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(-c2ccccc2)cc1,CHEMBL97637,9.3
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(I)cc1,CHEMBL95878,8.8
+Cc1sc2cc(Cl)cc(Cl)c2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL369071,8.1
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@H](C(C)C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95504,7.7
+Cc1sc2c(Cl)cccc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL98353,8.7
+Cc1sc2c(Cl)cc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL95568,8.7
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cccc2c(Cl)cccc12,CHEMBL329482,8.5
+Cc1cc(N2CCNCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2n1,CHEMBL97211,8.9
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1,CHEMBL97596,9.0
+CC(C)c1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL99982,8.8
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2c(Cl)cc(Cl)cc12,CHEMBL94930,8.2
+Cc1cnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2c1N1CCNCC1,CHEMBL97899,8.6
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL97158,8.7
+Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1,CHEMBL318018,9.0
+Cc1cc(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)c(C)cc1Cl,CHEMBL95388,8.9
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL316643,8.7
+CCc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL98965,8.9
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4C[C@@H](C)NC[C@@H]4C)c3c2)sc2ccc(Cl)cc12,CHEMBL95285,7.5
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95823,8.9
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)oc2ccc(Cl)cc12,CHEMBL318262,8.4
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN5CCC[C@H]5C4)c3c2)sc2ccc(Cl)cc12,CHEMBL94988,8.7
+Cc1c(S(=O)(=O)Nc2ccc3nccc(N4C[C@H](C)N[C@H](C)C4)c3c2)sc2ccc(Cl)cc12,CHEMBL95511,8.3
+Cc1c(S(=O)(=O)Nc2ccc3ncc(N4CCN(C)CC4)cc3c2)sc2ccc(Cl)cc12,CHEMBL95517,7.1
+O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cc(Cl)cc(Cl)c1,CHEMBL95628,7.6
+CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL263881,8.18
+NCCCC1(CCCN)CCc2cccc(O)c2C1,CHEMBL146942,6.9
+CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12,CHEMBL2112882,7.3
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CHEMBL282199,5.2
+CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1,CHEMBL116448,5.5
+CNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(Br)n1,CHEMBL23575,8.64
+CNc1cc(S(=O)(=O)Nc2ccc(N)cc2)cc(Br)n1,CHEMBL23965,7.37
+Nc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1,CHEMBL415464,7.285
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL69257,6.28
+COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1N1CCNCC1,CHEMBL154367,8.9
+COc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1N1CCNCC1,CHEMBL151998,9.1
+COc1ccc(S(=O)(=O)N2CCc3c(OC)ccc(OC)c3C2)cc1N1CCNCC1,CHEMBL157338,8.8
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2Br)cc1N1CCNCC1,CHEMBL154641,8.6
+COc1ccc(S(=O)(=O)N2CCc3cc(I)ccc32)cc1N1CCNCC1,CHEMBL157285,8.4
+COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1N1CCNCC1,CHEMBL157175,8.3
+COc1ccc(S(=O)(=O)N2CCCc3ccc(Br)cc32)cc1N1CCNCC1,CHEMBL356021,9.5
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL157910,8.7
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(F)c2Cl)cc1N1CCNCC1,CHEMBL154534,8.5
+COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1N1CCNCC1,CHEMBL154274,9.0
+COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1,CHEMBL154273,8.9
+COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1N1CCNCC1,CHEMBL157103,8.7
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2F)cc1N1CCNCC1,CHEMBL348364,8.6
+COc1ccc(S(=O)(=O)N2c3ccccc3CC2(C)C)cc1N1CCNCC1,CHEMBL151295,9.1
+COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1,CHEMBL156130,8.7
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2Cl)cc1N1CCNCC1,CHEMBL350022,8.4
+COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1N1CCNCC1,CHEMBL350026,8.1
+COc1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)cc1N1CCNCC1,CHEMBL347335,6.8
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Br)cc1N1CCNCC1,CHEMBL154842,8.5
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2Cl)cc1N1CCNCC1,CHEMBL154720,8.6
+COc1ccc(S(=O)(=O)N2CCCc3cc(Br)ccc32)cc1N1CCNCC1,CHEMBL152806,8.5
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1N1CCNCC1,CHEMBL155717,9.3
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2Cl)cc1N1CCNCC1,CHEMBL346990,8.7
+COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1N1CCNCC1,CHEMBL348870,8.9
+COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2Br)cc1N1CCNCC1,CHEMBL153918,8.4
+COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,CHEMBL414628,9.5
+COc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1N1CCNCC1,CHEMBL346338,9.3
+COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1N1CCNCC1,CHEMBL154186,7.7
+COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2Cl)cc1N1CCNCC1,CHEMBL158094,7.5
+COc1ccc(S(=O)(=O)Nc2cc(I)ccc2C)cc1N1CCNCC1,CHEMBL154089,9.1
+COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1N1CCNCC1,CHEMBL154675,9.0
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1N1CCNCC1,CHEMBL345110,9.2
+COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1N1CCNCC1,CHEMBL346227,7.6
+COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1N1CCNCC1,CHEMBL155106,8.8
+COc1ccc(S(=O)(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)cc1N1CCNCC1,CHEMBL155234,8.4
+COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1N1CCNCC1,CHEMBL154525,8.6
+COc1ccc(S(=O)(=O)N2CCc3c(Cl)ccc(Cl)c3C2)cc1N1CCNCC1,CHEMBL157454,9.3
+COc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1,CHEMBL156610,8.4
+COc1ccc(S(=O)(=O)N2CCc3cccc(Cl)c3C2)cc1N1CCNCC1,CHEMBL157173,8.9
+COc1ccc(NS(=O)(=O)c2c(F)c(Br)cc(F)c2Br)cc1N1CCN(C)CC1,CHEMBL409160,8.5
+COc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1N1CCN(C)CC1,CHEMBL304039,8.7
+COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1,CHEMBL60264,8.6
+COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1,CHEMBL292759,8.3
+COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCN(C)CC1,CHEMBL302845,7.1
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1,CHEMBL29846,9.205
+COc1ccc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1N1CCN(C)CC1,CHEMBL62368,9.1
+COc1ccc(NS(=O)(=O)c2ccccc2)cc1N1CCN(C)CC1,CHEMBL60669,8.0
+COc1ccc(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)cc1N1CCN(C)CC1,CHEMBL61318,8.9
+COc1ccc(NS(=O)(=O)c2cccc(I)c2)cc1N1CCN(C)CC1,CHEMBL62538,9.1
+COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1N1CCN(C)CC1,CHEMBL62594,7.2
+COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1,CHEMBL64715,6.1
+COc1ccc(NS(=O)(=O)c2cc(I)ccc2C)cc1N1CCN(C)CC1,CHEMBL291618,9.0
+O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1,CHEMBL95104,6.07
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1,CHEMBL282971,9.1
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1,CHEMBL29410,8.3
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1,CHEMBL29433,9.1
+CN(C)CCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1,CHEMBL98404,8.1
+CNc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1ccc(F)cc1,CHEMBL95136,8.85
+Nc1ccc(S(=O)(=O)Nc2cc(N)nc(Br)c2)cc1,CHEMBL97492,7.28
+CNc1cc(NC)cc(NS(=O)(=O)c2ccc(N)cc2)c1,CHEMBL316855,6.7
+O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1423,7.15
+CO[C@H]1c2cccc3c2c(cn3S(=O)(=O)c2ccc(C)cc2)C[C@@H]1N,CHEMBL319322,6.89
+CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,CHEMBL908,8.52
+Nc1ccc(S(=O)(=O)Nc2cc(Br)cc3[nH]ccc23)cc1,CHEMBL329075,7.3
+C1CCN2CCNCC2C1,CHEMBL98511,8.3
+COc1ccc2c(c1)c(CCN(C)C)cn2-c1ccccc1,CHEMBL94969,7.48
+COc1cccc2c(CCN(C)C)c[nH]c12,CHEMBL97017,4.71
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N)C3)cc1,CHEMBL319956,8.14
+COc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccccc1,CHEMBL98237,8.19
+CNc1cc(Br)cc(NS(=O)(=O)c2ccc(N)cc2)c1,CHEMBL96317,7.7
+CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N)n1,CHEMBL97819,6.0
+COc1cccc2[nH]cc(CCN(C)C)c12,CHEMBL32029,6.81
+COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCNCC1,CHEMBL96745,9.52
+COc1ccc2c(CCN(C)C)c[nH]c2c1,CHEMBL281408,5.1
+Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1,CHEMBL309750,5.39
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1,CHEMBL71707,5.7
+O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1,CHEMBL432713,7.1
+C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL137781,7.89
+C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL138989,7.21
+C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1,CHEMBL343755,7.82
+CCCc1c(CCN(C)C)c2cc(OC)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL365040,8.64
+CN(C)CC[N+]1=CCc2ccccc21,CHEMBL363035,5.72
+CN(C)CCC1=CC(Cc2ccccc2)c2ccccc21,CHEMBL457351,8.52
+CN(C)CCc1cn(Cc2ccccc2)c2ccccc12,CHEMBL188144,8.22
+C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1,CHEMBL413049,6.76
+CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1,CHEMBL180086,6.42
+CN(C)CCn1cc(Cc2ccccc2)c2ccccc21,CHEMBL186621,7.49
+c1ccc2c(C[C@@H]3CCCN3)c[nH]c2c1,CHEMBL534703,5.62
+c1ccc2c(C[C@H]3CCCN3)c[nH]c2c1,CHEMBL539589,7.22
+O=S(=O)(c1ccccc1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL188285,7.45
+O=S(=O)(c1ccccc1)n1cc(C[C@H]2CCCN2)c2ccccc21,CHEMBL188864,8.11
+CN1CCC[C@@H]1Cc1c[nH]c2ccccc12,CHEMBL539327,6.19
+CN1CCC[C@H]1Cc1c[nH]c2ccccc12,CHEMBL554369,8.04
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL373107,8.613
+CN1CCC[C@H]1Cn1ccc2ccccc21,CHEMBL554985,5.06
+CN1CCC[C@@H]1Cn1ccc2ccccc21,CHEMBL539587,6.26
+CN1CCC[C@H]1Cn1cc(Cc2ccccc2)c2ccccc21,CHEMBL433765,7.54
+CN1CCC[C@@H]1Cn1cc(Cc2ccccc2)c2ccccc21,CHEMBL361892,8.0
+Brc1ccc(N2CCNCC2)c2ccccc12,CHEMBL180298,7.27
+c1ccc(-c2ccc(N3CCNCC3)c3ccccc23)cc1,CHEMBL181877,6.72
+O=C(c1ccccc1)c1ccc(N2CCNCC2)c2ccccc12,CHEMBL360663,7.24
+c1ccc(Cc2ccc(N3CCNCC3)c3ccccc23)cc1,CHEMBL180945,7.46
+O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c2ccccc12,CHEMBL183757,8.42
+Nc1ccc(S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1,CHEMBL534472,9.05
+CCc1cc(N2CCNCC2)c2ccccc2c1,CHEMBL534698,7.68
+c1ccc(-c2cc(N3CCNCC3)c3ccccc3c2)cc1,CHEMBL556759,8.03
+Nc1ccc(S(=O)(=O)c2cccc3ccccc23)cc1,CHEMBL181382,7.47
+O=S(=O)(c1ccc(NO)cc1)c1cccc2ccccc12,CHEMBL556760,7.2
+COc1ccccc1N1CCNCC1,CHEMBL9666,8.92
+NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL363275,7.995
+CNCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL187278,8.3
+NCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21,CHEMBL188182,7.6
+NCCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21,CHEMBL184884,6.85
+NCCn1cc(S(=O)(=O)c2ccccc2)c2cc(F)ccc21,CHEMBL186585,7.57
+CNCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21,CHEMBL360181,7.81
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21,CHEMBL183203,7.7
+COc1ccc2c(S(=O)(=O)c3ccccc3)cn(CCN(C)C)c2c1,CHEMBL184640,7.64
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(F)cc21,CHEMBL359967,7.34
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21,CHEMBL184671,7.38
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2c(F)cccc21,CHEMBL184066,7.01
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cc(F)ccc21,CHEMBL360642,7.36
+COc1cccc2c(S(=O)(=O)c3ccccc3)cn(CCN(C)C)c12,CHEMBL185850,7.6
+Cc1c(S(=O)(=O)c2ccccc2)c2ccccc2n1CCN(C)C,CHEMBL445652,7.74
+Cc1ccc(S(=O)(=O)c2cn(CCN(C)C)c3ccccc23)cc1,CHEMBL185672,7.24
+CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2ccccc21,CHEMBL366151,7.922999999999999
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2OC(F)(F)F)c2ccccc21,CHEMBL425714,7.8
+CN(C)CCn1cc(S(=O)(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL185958,8.43
+CNCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL184652,8.24
+CN(C)CCn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21,CHEMBL364351,6.0
+O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL361189,8.62
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1,CHEMBL444015,8.7
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccc(Cl)cc32)cc1,CHEMBL360234,8.52
+O=S(=O)(c1ccc(Cl)s1)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL178234,8.52
+O=S(=O)(c1ccc(F)cc1)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL361572,8.52
+O=S(=O)(c1ccc(Cl)cc1)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL180823,7.85
+O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL362220,7.7
+COc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccccc32)cc1,CHEMBL359460,7.74
+O=S(=O)(c1cccc2ccccc12)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL182000,8.4
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3ccc([N+](=O)[O-])cc32)cc1,CHEMBL362177,7.51
+O=S(=O)(c1nccc2sncc12)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL182099,8.3
+O=S(=O)(c1ccc2ccccc2c1)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL179173,7.57
+COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc2ccccc2c1,CHEMBL178193,7.72
+CCCCS(=O)(=O)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL179232,7.11
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(F)ccc32)cc1,CHEMBL179277,9.0
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(Br)ccc32)cc1,CHEMBL178767,8.15
+COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1,CHEMBL181066,8.52
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(OCc4ccccc4)ccc32)cc1,CHEMBL181425,7.3
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc([N+](=O)[O-])ccc32)cc1,CHEMBL178123,7.54
+Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc4c(cc32)OCO4)cc1,CHEMBL361180,9.0
+O=S(=O)(c1ccccc1)n1cc(C2CCNCC2)c2ccccc21,CHEMBL180826,7.92
+O=S(=O)(c1ccccc1)n1cc(C2CCNCC2)c2cc(F)ccc21,CHEMBL178869,7.7
+Nc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ccc(Cl)cc32)cc1,CHEMBL178870,8.52
+CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL444878,8.7
+CN1CC=C(c2cn(S(=O)(=O)c3ccccc3Cl)c3ccccc23)CC1,CHEMBL180221,8.0
+CN1CC=C(c2cn(S(=O)(=O)c3ccccc3F)c3ccccc23)CC1,CHEMBL180066,8.0
+CN1CC=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1,CHEMBL359876,9.0
+CN1CC=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1,CHEMBL180765,8.3
+CN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL281937,8.0
+CN1CC=C(c2cn(C(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL410710,7.0
+CN1CC=C(c2cn(C(=O)Nc3ccccc3)c3ccccc23)CC1,CHEMBL359604,6.93
+O=S(=O)(c1ccccc1)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL360475,6.61
+CC(C)(C)OC(=O)N1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL181938,7.27
+O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL179592,8.7
+O=S(=O)(c1ccccc1Cl)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL362487,9.4
+O=S(=O)(c1ccccc1F)n1cc(C2=CCNCC2)c2ccccc21,CHEMBL180606,9.0
+Nc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3cc(F)ccc32)cc1,CHEMBL178385,8.7
+CN1CC=C(c2c[nH]c3ccccc23)CC1,CHEMBL26655,7.01
+Cc1c(S(=O)(=O)Nc2cccc3c2cc(C)n3CCN(C)C)sc2ccc(Cl)cc12,CHEMBL368973,7.24
+CN(C)CCn1ccc2c(NS(=O)(=O)c3cccc4ccccc34)cccc21,CHEMBL175819,7.19
+CN(C)CCn1ccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc21,CHEMBL176117,7.83
+CN(C)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21,CHEMBL175940,8.71
+CN(C)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21,CHEMBL180110,7.03
+CN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21,CHEMBL353739,7.24
+Cc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C,CHEMBL175906,7.13
+Cc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C,CHEMBL175836,6.91
+Cc1cc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN(C)C,CHEMBL177119,7.07
+CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21,CHEMBL2112986,7.01
+CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21,CHEMBL175794,6.93
+CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21,CHEMBL176134,6.85
+O=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12,CHEMBL367088,8.01
+O=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12,CHEMBL367305,7.5
+CN(C)CCn1ccc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21,CHEMBL354418,7.26
+Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12,CHEMBL579981,7.04
+CN(C)CCn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21,CHEMBL179344,7.7
+CN(C)CCn1ccc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21,CHEMBL368871,7.39
+CN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21,CHEMBL368069,7.13
+Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN4CCCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL176162,6.96
+O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12,CHEMBL179006,7.73
+O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1,CHEMBL177005,7.0
+O=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1,CHEMBL179264,6.71
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CN(C)C)c3c2)sc2ccc(Cl)cc12,CHEMBL177605,8.28
+CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12,CHEMBL362628,8.66
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN(C)C)c3c2)sc2ccc(Cl)cc12,CHEMBL368209,10.0
+CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12,CHEMBL368390,9.1
+CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12,CHEMBL179408,9.4
+CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12,CHEMBL179926,9.52
+CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12,CHEMBL180425,8.46
+CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12,CHEMBL176028,8.48
+CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12,CHEMBL177124,8.03
+CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12,CHEMBL369759,9.0
+CCN(CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12,CHEMBL177970,6.79
+CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12,CHEMBL179407,9.3
+CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12,CHEMBL176292,8.41
+CCCCN(CCCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12,CHEMBL175529,8.14
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN4CCCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL175884,8.4
+O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12,CHEMBL367867,8.35
+O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc2ccccc2c1,CHEMBL427134,8.37
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN4CCOCC4)c3c2)sc2ccc(Cl)cc12,CHEMBL179492,7.82
+O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1cccc2ccccc12,CHEMBL178985,6.79
+O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2c1,CHEMBL368058,6.88
+O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2n1,CHEMBL175798,6.93
+O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2csc3ccccc23)CC1,CHEMBL175732,6.9
+Cc1cccc2c1N(C1CCN(S(=O)(=O)c3csc4ccccc34)CC1)C(=O)OC2,CHEMBL354417,6.9
+Cc1c(S(=O)(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)sc2ccc(Cl)cc12,CHEMBL176258,6.97
+O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL179034,7.29
+Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4ccccc34)CC1)C(=O)OC2,CHEMBL433979,6.61
+Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC1)C(=O)OC2,CHEMBL175718,6.47
+O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL366515,6.82
+Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2,CHEMBL368557,6.78
+COc1ccc(OC)c(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c1,CHEMBL175980,6.88
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12,CHEMBL362063,9.0
+CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc23)CC1,CHEMBL361230,8.33
+CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5c(Cl)cccc45)cc23)CC1,CHEMBL367481,8.02
+CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc23)CC1,CHEMBL367730,7.61
+CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1,CHEMBL368959,7.67
+CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)CC1,CHEMBL180582,8.17
+CN(C)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12,CHEMBL176218,7.74
+CCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12,CHEMBL175488,6.65
+O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1c(Cl)nc2sccn12,CHEMBL367832,7.29
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12,CHEMBL606546,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3F)cc12,CHEMBL609992,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606547,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606556,9.4
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12,CHEMBL606557,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12,CHEMBL609995,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(I)cc3)cc12,CHEMBL609994,9.52
+Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1,CHEMBL610254,9.0
+COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1,CHEMBL606558,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc12,CHEMBL606559,9.4
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12,CHEMBL606548,9.0
+CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1,CHEMBL606636,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12,CHEMBL606637,9.0
+CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12,CHEMBL606638,9.0
+Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1,CHEMBL609741,9.0
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12,CHEMBL606706,7.8
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12,CHEMBL606763,7.66
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Br)cc12,CHEMBL609739,8.3
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12,CHEMBL606764,7.96
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12,CHEMBL606765,7.92
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc12,CHEMBL610259,8.05
+COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1,CHEMBL606766,7.47
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc12,CHEMBL606815,8.0
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12,CHEMBL606816,8.1
+CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1,CHEMBL606549,8.52
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12,CHEMBL606817,9.0
+Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)sc2ccc(Cl)cc12,CHEMBL610256,8.7
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc12,CHEMBL609736,7.46
+CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12,CHEMBL606818,8.15
+COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1,CHEMBL610258,7.62
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1,CHEMBL609737,8.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1F,CHEMBL609738,8.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1Cl,CHEMBL609742,8.52
+O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1,CHEMBL2113386,9.0
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1cccc(Cl)c1,CHEMBL606639,8.7
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1cccc(C(F)(F)F)c1,CHEMBL609991,8.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(F)cc1,CHEMBL606703,8.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(Cl)cc1,CHEMBL609743,8.52
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(Br)cc1,CHEMBL606704,8.52
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(I)cc1,CHEMBL609996,9.0
+Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)cc1,CHEMBL609740,8.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(OC(F)(F)F)cc1,CHEMBL609993,8.3
+CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)cc1,CHEMBL610253,9.0
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(F)cc1F,CHEMBL606705,8.1
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(F)cc1Cl,CHEMBL610255,8.05
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(Cl)c(Cl)c1,CHEMBL610257,8.52
+O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1cccc(Cl)c1,CHEMBL606868,7.44
+O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(Br)cc1,CHEMBL606870,7.24
+O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(F)cc1F,CHEMBL606871,6.88
+CN(C)CCC1=C/C(=C\c2ccccc2)c2ccccc21,CHEMBL427354,7.24
+Nc1ccc(/C=C2\C=Cc3ccccc32)cc1,CHEMBL193376,6.19
+CNCCC1=CC(Cc2ccccc2)c2ccccc21,CHEMBL194174,8.52
+CNCCC1=CC(CCc2ccccc2)c2ccccc21,CHEMBL195317,7.0
+Nc1ccc(CC2=CCc3ccccc32)cc1,CHEMBL371048,4.93
+Nc1ccc(CC2C=Cc3ccccc32)cc1,CHEMBL193637,5.35
+Nc1ccc(CC2CCc3ccccc32)cc1,CHEMBL364089,5.21
+Nc1ccc(SC2CCc3ccccc32)cc1,CHEMBL191844,5.38
+Nc1ccc(S(=O)(=O)C2CCc3ccccc32)cc1,CHEMBL191972,6.13
+CN(C)CCn1cc(Cc2ccc(N)cc2)c2ccccc21,CHEMBL193841,7.3
+CN(C)CCc1cn(CCc2ccccc2)c2ccccc12,CHEMBL371978,7.92
+Nc1ccc(Cc2c[nH]c3ccccc23)cc1,CHEMBL364248,5.6
+COc1cc(N)cc(NS(=O)(=O)c2ccc(N)cc2)c1,CHEMBL191415,7.4
+Nc1ccc(S(=O)(=O)Nc2cccc(N)c2)cc1,CHEMBL362984,6.2
+Nc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1,CHEMBL190521,7.2
+Nc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1,CHEMBL190468,5.9
+COc1ccc(NS(=O)(=O)c2cccc(I)c2)cc1N1CCNCC1,CHEMBL427155,9.1
+Cc1c(S(=O)(=O)Nc2ccc3ncc(N4CCNCC4)cc3c2)sc2ccc(Cl)cc12,CHEMBL191027,7.1
+Cc1c(S(=O)(=O)Nc2cccc3c2ccn3CCN)sc2ccc(Cl)cc12,CHEMBL190594,7.2
+NCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12,CHEMBL372879,9.7
+O=S(=O)(Oc1ccc2[nH]cc(C3CCNCC3)c2c1)c1c(F)cccc1F,CHEMBL372006,9.0
+CON1CCN(c2ccc(S(=O)(=O)c3cccc4ccccc34)cc2)CC1,CHEMBL363792,9.9
+O=S(=O)(c1ccccc1)c1cc2c(N3CCNCC3)cccc2[nH]1,CHEMBL365569,9.9
+COc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1cccc2ccccc12,CHEMBL433946,9.1
+COc1cccc2c(CCN)cn(S(=O)(=O)c3ccc4ccccc4c3)c12,CHEMBL191385,8.3
+O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccc(N3CCN4C=CCC4C3)cc21,CHEMBL373322,9.7
+NCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL364039,8.5
+NCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL370672,8.2
+CC[N+](C)(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccc(OC)cc12,CHEMBL192435,6.6
+Nc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCCC3)cc1,CHEMBL365471,7.52
+CCOC(=O)c1[nH]c2ccccc2c1CCN,CHEMBL191121,7.7
+COc1cccc(-c2noc(-c3[nH]c4ccccc4c3CCN)n2)c1,CHEMBL188600,8.9
+CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1,CHEMBL191460,5.4
+O=S(=O)(c1ccccc1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL193824,8.34
+O=S(=O)(c1ccccc1F)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL363827,8.04
+O=S(=O)(c1ccccc1Cl)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL194904,7.89
+O=S(=O)(c1ccccc1C(F)(F)F)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL196661,7.66
+O=S(=O)(c1cccc(F)c1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL371132,8.07
+O=S(=O)(c1cccc(Cl)c1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL198766,7.85
+O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL381871,7.35
+O=S(=O)(c1ccc(F)cc1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL194568,7.98
+O=S(=O)(c1ccc(Cl)cc1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL196791,7.66
+COc1ccc(S(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)cc1,CHEMBL196792,7.8
+O=S(=O)(c1ccc(F)cc1F)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL196926,7.89
+O=S(=O)(c1cccc(Cl)c1Cl)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL370719,7.7
+O=S(=O)(c1ccc(F)c(F)c1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL370306,7.59
+O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL382297,7.32
+O=S(=O)(c1ccc(Cl)s1)n1cc(C2=CCCNC2)c2ccccc21,CHEMBL362921,7.64
+Cc1nc(C)c(S(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)o1,CHEMBL380777,7.24
+Cc1cc(Cl)n(CS(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)n1,CHEMBL197845,8.1
+O=S(=O)(c1ccccc1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL371292,8.73
+O=S(=O)(c1cccc(Cl)c1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL196692,8.7
+O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL196743,8.0
+COc1ccc(S(=O)(=O)n2cc(C3CCCNC3)c3ccccc32)cc1,CHEMBL194750,8.0
+O=S(=O)(c1ccc(F)c(F)c1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL363843,8.15
+O=S(=O)(c1cccs1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL372569,8.01
+O=S(=O)(c1ccc(Cl)s1)n1cc(C2CCCNC2)c2ccccc21,CHEMBL371318,8.52
+Cc1c(S(=O)(=O)n2cc(C3CCCNC3)c3ccccc32)sc2ccc(Cl)cc12,CHEMBL372033,7.36
+O=S(=O)(c1ccccc1Br)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL193657,7.37
+O=S(=O)(c1cccc(Cl)c1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL425197,7.66
+O=S(=O)(c1ccc(Cl)cc1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL194834,7.31
+O=S(=O)(c1ccc(I)cc1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL370508,7.47
+Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1,CHEMBL365993,7.48
+COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1,CHEMBL197397,7.4
+Nc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1,CHEMBL427184,8.15
+O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL436124,7.31
+COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3)c3ccccc32)cc1OC,CHEMBL194465,7.64
+O=S(=O)(c1ccc(Cl)s1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL194311,7.6
+O=S(=O)(c1ccc(Br)s1)n1cc(C[C@@H]2CCCN2)c2ccccc21,CHEMBL381887,7.7
+Cc1c(S(=O)(=O)n2cc(C[C@H]3CCCN3)c3ccccc32)sc2ccc(Cl)cc12,CHEMBL195922,6.55
+CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12,CHEMBL196622,8.4
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccccc2Br)c2ccccc12,CHEMBL371469,8.15
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccccc12,CHEMBL195018,8.4
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,CHEMBL196094,8.15
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(I)cc2)c2ccccc12,CHEMBL198827,8.52
+Cc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1,CHEMBL370215,8.3
+COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1,CHEMBL197407,7.71
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL383373,8.52
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12,CHEMBL198941,7.92
+COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1OC,CHEMBL371886,8.1
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12,CHEMBL413525,8.4
+CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12,CHEMBL434932,8.52
+Cc1c(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)sc2ccc(Cl)cc12,CHEMBL369910,7.96
+CN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1,CHEMBL425196,9.0
+CN1CCC(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1,CHEMBL193358,8.7
+CN1CCC(c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1,CHEMBL365774,9.0
+CN1CCC(c2cn(S(=O)(=O)c3ccc(I)cc3)c3ccccc23)C1,CHEMBL193450,9.0
+CN1CCC(c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccccc23)C1,CHEMBL194590,9.0
+CN1CCC(c2cn(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c3ccccc23)C1,CHEMBL365753,8.52
+COc1ccc(S(=O)(=O)n2cc(C3CCN(C)C3)c3ccccc32)cc1OC,CHEMBL196619,8.3
+O=S(=O)(c1ccccc1Br)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21,CHEMBL380556,7.85
+Cc1ccc(S(=O)(=O)n2cc(C3CCN(Cc4ccccc4)C3)c3ccccc32)cc1,CHEMBL194786,8.1
+Nc1ccc(S(=O)(=O)n2cc(C3CCN(Cc4ccccc4)C3)c3ccccc32)cc1,CHEMBL370507,9.0
+O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21,CHEMBL380772,7.82
+O=S(=O)(c1ccc(Br)s1)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21,CHEMBL366012,8.05
+Cc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21,CHEMBL196466,8.52
+O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CCNC2,CHEMBL372373,6.6
+O=S(=O)(c1cccc(Cl)c1)n1c2c(c3ccccc31)CCNC2,CHEMBL195987,7.38
+Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNC3)cc1,CHEMBL370935,6.57
+Nc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNC3)cc1,CHEMBL194360,6.94
+COc1ccc2c(c1)c(CN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL372364,8.82
+COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL372453,5.29
+COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL197408,5.84
+COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1N1CCN(C)CC1,CHEMBL196598,5.54
+COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1,CHEMBL196370,5.62
+COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1,CHEMBL370128,6.33
+COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1,CHEMBL196169,6.08
+O=S(=O)(c1cccc(Cl)c1)c1c[nH]c2c(N3CCNCC3)cccc12,CHEMBL425015,9.5
+O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12,CHEMBL366248,7.6
+O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)ccnc12,CHEMBL426640,8.1
+Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccc(N3CCNCC3)c21,CHEMBL197297,8.6
+O=S(=O)(c1ccccc1)c1coc2c(N3CCNCC3)cccc12,CHEMBL197574,8.9
+O=S(=O)(c1ccccc1)c1csc2c(N3CCNCC3)cccc12,CHEMBL372537,9.3
+Cc1c(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)sc2ccc(Cl)cc12,CHEMBL196644,8.5
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21,CHEMBL370779,9.25
+O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)cccc21,CHEMBL372513,9.4
+O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)cccc21,CHEMBL196410,9.6
+O=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)cccc21,CHEMBL371876,8.7
+O=S(=O)(c1ccccn1)n1ccc2c(N3CCNCC3)cccc21,CHEMBL370209,9.0
+O=S(=O)(c1cccc(Cl)c1)n1cc(Cl)c2c(N3CCNCC3)cccc21,CHEMBL371375,9.5
+O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)ccc(Cl)c21,CHEMBL193629,9.5
+Cc1cn(S(=O)(=O)c2cccc(Cl)c2)c2cccc(N3CCNCC3)c12,CHEMBL194039,9.2
+Cc1cc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1cccc(Cl)c1,CHEMBL372929,9.4
+N#Cc1ccc2c(ccn2S(=O)(=O)c2cccc(Cl)c2)c1N1CCNCC1,CHEMBL193379,8.3
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL193665,8.8
+O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL371176,9.0
+O=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL372287,8.2
+O=S(=O)(c1ccccn1)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL194915,9.3
+O=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL196103,8.1
+O=S(=O)(c1ccc2ccccc2c1)n1ccc2c(N3CCNCC3)c(Cl)ccc21,CHEMBL196524,7.6
+CNc1cc(NC)c2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1,CHEMBL372853,8.72
+Nc1ccc(S(=O)(=O)n2ccc3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1,CHEMBL200844,6.01
+Nc1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)cc1,CHEMBL200795,9.4
+c1cc(N2CCNCC2)c2cc[nH]c2c1,CHEMBL200234,5.57
+Nc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1,CHEMBL372109,8.0
+CNc1cc(NC)c2ccn(S(=O)(=O)c3ccccc3)c2c1,CHEMBL198797,7.59
+CNc1ccc2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1,CHEMBL383354,8.15
+CNc1cccc2c1ccn2S(=O)(=O)c1ccc(N)cc1,CHEMBL381415,7.68
+COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1,CHEMBL199824,6.92
+COc1cc(OC)c2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1,CHEMBL210733,9.1
+COc1ccc2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1,CHEMBL209724,8.74
+COc1cccc2c1ccn2S(=O)(=O)c1ccc(N)cc1,CHEMBL379273,8.48
+COc1cc(OC)c2c3c(n(S(=O)(=O)c4ccc(N)cc4)c2c1)CCCC3,CHEMBL377546,6.68
+CNc1ccc2c3c(n(S(=O)(=O)c4ccc(N)cc4)c2c1)CCCC3,CHEMBL213407,6.69
+CNc1cccc2c1c1c(n2S(=O)(=O)c2ccc(N)cc2)CCCC1,CHEMBL213800,6.78
+CN(C)CCc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL212178,7.28
+O=S(=O)(c1ccccc1)c1ccccc1N1CCNCC1,CHEMBL209893,5.4
+O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cc1,CHEMBL211577,8.065
+O=S(=O)(c1ccccc1)c1cccc(N2CCNCC2)c1,CHEMBL212995,8.92
+O=S(=O)(Nc1ccc(N2CCNCC2)cc1)c1ccccc1,CHEMBL426332,7.07
+O=S(=O)(Nc1cccc(N2CCNCC2)c1)c1ccccc1,CHEMBL213586,7.21
+NCCc1ccc(S(=O)(=O)c2ccccc2)cc1,CHEMBL213589,7.43
+NCCc1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL434365,7.42
+NCCc1cccc(Sc2ccccc2)c1,CHEMBL211688,6.94
+NCCc1cccc(S(=O)(=O)c2ccccc2)c1,CHEMBL209383,7.3
+CN(C)CCc1ccn(S(=O)(=O)c2ccccc2)c1,CHEMBL378892,7.82
+CNCCc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL212227,7.42
+NCCc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL212063,7.68
+COc1ccc(NS(=O)(=O)c2ccccc2)cc1CCN,CHEMBL378656,7.77
+NCCCc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL378179,6.64
+NCc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL209909,6.54
+Nc1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL378618,5.55
+NCCc1cccc(S(=O)(=O)Nc2ccccc2)c1,CHEMBL415046,7.15
+COc1ccc2[nH]cc(CCN(C)Cc3ccccc3)c2c1,CHEMBL426567,6.97
+CCN(CC)CCc1c[nH]c2ccccc12,CHEMBL142936,6.24
+CN(C)CCc1cn2c3c(cccc13)-c1ccccc1S2(=O)=O,CHEMBL3706857,5.35
+CN(C)CCc1c2n(c3ccccc13)S(=O)(=O)c1ccccc1-2,CHEMBL375594,6.84
+COc1ccc2c(CCN(C)C)cn(S(=O)(=O)c3ccccc3)c2c1,CHEMBL223637,7.82
+COc1cccc2c1c(CCN(C)C)cn2S(=O)(=O)c1ccccc1,CHEMBL220566,7.96
+CCN(CC)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL385330,7.85
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1,CHEMBL231326,7.3
+CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231350,8.1
+CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231349,7.5
+COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL231249,8.0
+CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231648,7.3
+CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231546,7.3
+CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL397476,7.9
+Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2,CHEMBL395525,7.8
+Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL230930,8.0
+Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1,CHEMBL230070,8.2
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2CC1,CHEMBL388674,8.4
+Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1,CHEMBL230069,8.3
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1,CHEMBL231640,7.6
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1,CHEMBL231431,8.1
+CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1,CHEMBL231430,8.3
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1,CHEMBL231334,8.9
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1,CHEMBL266018,8.7
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1,CHEMBL388247,7.6
+CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1,CHEMBL395501,8.3
+O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL131495,6.4
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,7.185
+CC(C)N1CCCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1,CHEMBL236314,8.77
+CCN1CCCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1,CHEMBL392746,9.15
+CN1CCCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1,CHEMBL236313,8.7
+O=S(=O)(C1=C(Cl)NC2SC=CN12)c1cn(C2CCCNC2)c2ncccc12,CHEMBL236104,9.15
+CCN1CCCC(n2cc(S(=O)(=O)c3ccc(Cl)s3)c3cccnc32)C1,CHEMBL392976,8.49
+CN1CCCC(n2cc(S(=O)(=O)c3ccc(Cl)s3)c3cccnc32)C1,CHEMBL236812,8.72
+O=S(=O)(c1ccc(Cl)s1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL235118,8.92
+CCN1CCCC(n2cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c3cccnc32)C1,CHEMBL391713,7.87
+CN1CCCC(n2cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c3cccnc32)C1,CHEMBL235117,8.41
+O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL391517,8.21
+CC(C)N1CCCC(n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1,CHEMBL236571,8.03
+CC(C)N1CCCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1,CHEMBL393107,8.47
+CCN1CCCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1,CHEMBL235734,8.36
+CN1CCCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1,CHEMBL393106,8.33
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL392899,8.62
+O=S(=O)(c1ccccc1F)c1cn(C2CCCNC2)c2ncccc12,CHEMBL401019,8.7
+O=S(=O)(c1cccc(Br)c1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL235306,8.42
+CN1CCCC(n2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cccnc32)C1,CHEMBL401018,8.68
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL236976,7.92
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL236772,8.34
+CC(C)N1CCCC(n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1,CHEMBL237389,7.95
+CCN1CCCC(n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1,CHEMBL237179,7.475
+CN1CCCC(n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1,CHEMBL237594,7.94
+O=S(=O)(c1ccc(Cl)cc1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL237593,8.12
+O=S(=O)(c1cccc(Cl)c1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL393997,8.89
+O=S(=O)(c1ccccc1Cl)c1cn(C2CCCNC2)c2ncccc12,CHEMBL393830,8.43
+CCN1CCCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1,CHEMBL393158,8.44
+O=S(=O)(c1ccccc1)c1cn(C2CCCNC2)c2ncccc12,CHEMBL235070,8.31
+CCN1CCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1,CHEMBL392541,8.85
+CN1CCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1,CHEMBL392318,9.1
+O=S(=O)(C1=C(Cl)NC2SC=CN12)c1cn(C2CCNC2)c2ncccc12,CHEMBL236103,9.0
+O=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1cccc2cccnc12,CHEMBL400608,8.24
+O=S(=O)(Cc1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12,CHEMBL394233,9.0
+CCN1CCC(n2cc(S(=O)(=O)c3cccc(Cl)c3)c3cccnc32)C1,CHEMBL236541,8.48
+CCN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1,CHEMBL394232,8.08
+CCN1CCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1,CHEMBL236540,7.96
+CN1CCC(n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1,CHEMBL236336,9.05
+CN1CCC(n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1,CHEMBL394231,8.38
+CN1CCC(n2cc(S(=O)(=O)c3cccc(Cl)c3)c3cccnc32)C1,CHEMBL236335,8.82
+CN1CCC(n2cc(S(=O)(=O)c3ccccc3Cl)c3cccnc32)C1,CHEMBL236334,8.66
+CN1CCC(n2cc(S(=O)(=O)c3ccc(F)cc3)c3cccnc32)C1,CHEMBL236579,8.3
+CN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1,CHEMBL393312,8.85
+CN1CCC(n2cc(S(=O)(=O)c3ccccc3F)c3cccnc32)C1,CHEMBL236578,8.25
+CN1CCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1,CHEMBL399013,8.6
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn(C2CCNC2)c2ncccc12,CHEMBL398809,8.89
+O=S(=O)(c1ccc(Br)cc1)c1cn(C2CCNC2)c2ncccc12,CHEMBL236405,8.37
+O=S(=O)(c1cccc(Br)c1)c1cn(C2CCNC2)c2ncccc12,CHEMBL236404,8.89
+O=S(=O)(c1ccc(Cl)cc1)c1cn(C2CCNC2)c2ncccc12,CHEMBL398808,8.26
+O=S(=O)(c1cccc(Cl)c1)c1cn(C2CCNC2)c2ncccc12,CHEMBL236577,8.82
+O=S(=O)(c1ccc(F)cc1)c1cn(C2CCNC2)c2ncccc12,CHEMBL236576,8.07
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2ncccc12,CHEMBL400627,8.57
+O=S(=O)(c1ccccc1F)c1cn(C2CCNC2)c2ncccc12,CHEMBL240922,8.7
+NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12,CHEMBL392760,8.7
+CN1C=C(S(=O)(=O)n2cc(CCN)c3ccccc32)SC1N,CHEMBL238770,8.0
+NCCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc12,CHEMBL446194,7.51
+NCCc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12,CHEMBL236990,8.15
+NCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12,CHEMBL236989,8.22
+COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1OC,CHEMBL236988,8.15
+NCCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12,CHEMBL395145,7.52
+NCCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12,CHEMBL236987,9.0
+COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1,CHEMBL236986,7.33
+Cc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1,CHEMBL394303,8.1
+NCCc1cn(S(=O)(=O)c2ccc(I)cc2)c2ccccc12,CHEMBL235987,7.85
+NCCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,CHEMBL238277,8.0
+NCCc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12,CHEMBL394302,7.68
+NCCc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccccc12,CHEMBL235986,8.22
+NCCc1cn(S(=O)(=O)c2ccccc2I)c2ccccc12,CHEMBL392844,7.8
+NCCc1cn(S(=O)(=O)c2ccccc2Br)c2ccccc12,CHEMBL235985,7.96
+Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(Cl)cc2n1,CHEMBL391661,5.1
+CC(C)S(=O)(=O)n1cc(CCN(C)C)c2ccccc21,CHEMBL394097,6.23
+CN(C)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12,CHEMBL248085,7.7
+CN(C)CCc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12,CHEMBL247886,6.35
+CN(C)CCc1cn(Cc2ccc(N)cc2)c2ccccc12,CHEMBL247885,7.36
+COc1ccc(Cn2cc(CCN(C)C)c3ccccc32)cc1,CHEMBL247071,6.88
+Cc1ccc(Cn2cc(CCN(C)C)c3ccccc32)cc1,CHEMBL395465,7.54
+CN(C)CCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,CHEMBL396329,7.03
+CN(C)CCc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12,CHEMBL247673,8.72
+COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1,CHEMBL247477,7.89
+Cc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1,CHEMBL248071,8.6
+CN(C)CCc1cn(S(=O)(=O)C2CCCCC2)c2ccccc12,CHEMBL247872,6.68
+CCCCCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc21,CHEMBL247871,6.36
+CCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc21,CHEMBL248268,6.66
+CCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc21,CHEMBL397380,6.87
+CCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc21,CHEMBL245806,6.55
+Nc1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1,CHEMBL396149,5.22
+CN(C)CC1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccccc1,CHEMBL393886,8.82
+Nc1ccc(Cn2ccc3ccccc32)cc1,CHEMBL247281,5.09
+O=S(=O)(c1c(Cl)cccc1Cl)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL398034,10.2
+Nc1ccc(S(=O)(=O)N2CCOc3c(N4CCNCC4)cc(F)cc32)cc1,CHEMBL246917,8.9
+CC(C)(C)c1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2,CHEMBL246916,8.1
+COc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1)CCO2,CHEMBL246706,9.4
+COc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2,CHEMBL394690,9.8
+O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cc(Cl)cc21,CHEMBL246705,9.4
+O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cc(F)cc21,CHEMBL246704,9.2
+Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1C#N)CCO2,CHEMBL246500,8.7
+Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2,CHEMBL246499,9.4
+Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1)CCO2,CHEMBL394689,8.6
+O=S(=O)(c1cccc2cccnc12)N1CCOc2c(N3CCNCC3)cc(Cl)cc21,CHEMBL246498,9.2
+O=S(=O)(c1cccc2nonc12)N1CCOc2c(N3CCNCC3)cc(Cl)cc21,CHEMBL246291,9.3
+O=S(=O)(c1cccc2ccccc12)N1CCOc2c(N3CCNCC3)cc(Cl)cc21,CHEMBL398036,9.1
+CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL246290,6.5
+CS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOc3c(N4CCNCC4)cccc32)c1,CHEMBL246289,6.7
+O=S(=O)(c1cccc(F)c1)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL246080,8.0
+O=S(=O)(c1cccc(Cl)c1)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL246079,8.7
+O=S(=O)(c1ccccc1Cl)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL398035,8.5
+O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL246078,8.9
+O=S(=O)(c1ccccc1)N1CCOc2c(N3CCNCC3)cccc21,CHEMBL246077,7.9
+CN(C)CCNc1cccc2c1OC(C)(C)CN2S(=O)(=O)c1cccc(F)c1,CHEMBL247325,6.9
+CC1(C)CN(S(=O)(=O)c2cccc(F)c2)c2cc(F)cc(C3CCNCC3)c2O1,CHEMBL438675,8.3
+CC1(C)CN(S(=O)(=O)c2ccccc2)c2cc(F)cc(C3CCNCC3)c2O1,CHEMBL247121,8.4
+O=S(=O)(c1ccccc1)N1CCOc2c(N3CCCNCC3)cc(Cl)cc21,CHEMBL394949,8.4
+Cc1cc(N2CC(C)NC(C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2,CHEMBL247120,7.4
+Nc1cccc2c1OCCN2S(=O)(=O)c1ccccc1F,CHEMBL247119,6.2
+O=S(=O)(c1ccccc1F)N1CC2(CCC2)Oc2c(N3CCNCC3)cccc21,CHEMBL394691,9.2
+CC1(C)CN(S(=O)(=O)c2ccccc2F)c2cccc(N3CCNCC3)c2O1,CHEMBL246918,9.5
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCOc1ccc(Cl)cc1,CHEMBL400349,6.54
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCOc1ccccc1,CHEMBL249628,6.94
+CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1,CHEMBL251005,7.21
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCc1ccccc1,CHEMBL398698,7.48
+CN1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1,CHEMBL248844,6.92
+Cc1cc(C)n(-c2cc(N3CCNCC3)ccc2[N+](=O)[O-])n1,CHEMBL398555,6.32
+Cc1cc(C)n(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])n1,CHEMBL398482,6.6
+CN1CCN(c2ccc([N+](=O)[O-])c(NC(c3ccccc3)c3ccccc3)c2)CC1,CHEMBL398481,5.35
+CC(Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1,CHEMBL400704,7.92
+CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(F)cc3)c2)CC1,CHEMBL399681,6.76
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccc(Cl)cc1,CHEMBL249034,8.1
+CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1,CHEMBL399478,7.23
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1,CHEMBL401294,7.55
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1cccnc1,CHEMBL249032,5.82
+CN1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1,CHEMBL251201,5.9
+O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccco1,CHEMBL399962,7.6
+CN1CCN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(C(C)(C)C)cc3)c2)CC1,CHEMBL398337,7.1
+Cc1ccccc1OCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-],CHEMBL398336,6.79
+Cc1ccccc1OCCNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-],CHEMBL248846,7.59
+COc1ccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1,CHEMBL248845,6.61
+COc1ccccc1OCCNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-],CHEMBL248658,7.72
+CN1CCN(c2ccc([N+](=O)[O-])c(Nn3cccc3)c2)CC1,CHEMBL250661,6.32
+CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1,CHEMBL250840,5.91
+CN1CCN(c2ccc([N+](=O)[O-])c(Oc3ccccc3)c2)CC1,CHEMBL250677,7.57
+COC(=O)c1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1,CHEMBL250804,6.34
+CN1CCN(c2ccc(C#N)c(NCc3ccccc3)c2)CC1,CHEMBL250401,6.97
+CN1CCN(c2ccc(C#N)c(NCc3ccco3)c2)CC1,CHEMBL400922,5.86
+COc1ccc(N2CCN(C)CC2)cc1NCc1ccccc1,CHEMBL248985,6.39
+COc1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1,CHEMBL249188,5.99
+CN1CCN(c2ccc(OCc3ccccc3)c(NCc3ccccc3)c2)CC1,CHEMBL402923,6.03
+CN1CCN(c2ccc(OCc3ccccc3)c(NCc3ccco3)c2)CC1,CHEMBL248994,6.4
+CN1CCN(c2ccc(OCc3ccccc3)c(NCCc3ccccc3)c2)CC1,CHEMBL249196,5.89
+COC(=O)c1cc(N2CCN(C)CC2)ccc1NCc1ccccc1,CHEMBL399024,5.72
+CC(=O)N(Cc1ccccc1)c1ccc(N2CCN(C)CC2)cc1N,CHEMBL400660,6.79
+NCCNc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1,CHEMBL250663,5.83
+CN(C)CCc1cn(Sc2ccccc2)c2ccccc12,CHEMBL253397,7.05
+CCc1[nH]c2ccc(OC)cc2c1C[C@@H]1CCCN1C,CHEMBL404421,6.66
+CCc1[nH]c2ccc(OC)cc2c1C[C@H]1CCCN1C,CHEMBL428238,8.74
+CN(C)[C@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1,CHEMBL252774,7.05
+CN(C)[C@@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1,CHEMBL253826,7.31
+CC1(c2ccccc2)C(=O)Nc2cc(Br)cc(Br)c2C1=O,CHEMBL252673,6.71
+COc1cc(Cl)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O,CHEMBL402810,6.46
+CN(C)c1cc(Cl)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O,CHEMBL251861,6.15
+COc1cc(Br)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O,CHEMBL251857,7.14
+COc1cc2c(c(OC)c1)C(=O)C(C)(c1ccccc1)C(=O)N2,CHEMBL404552,6.14
+CC1(c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL254298,7.26
+COc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL254331,6.05
+COc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL254330,6.53
+CC1(c2ccc(O)c(Br)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253718,7.11
+CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253096,7.08
+CCN(CC)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL401970,8.04
+CCNc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL253095,7.55
+CN(C)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL252902,6.46
+CNc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL401969,6.59
+CC1(c2ccc(N)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253709,6.81
+CC1(c2ccc(O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253708,7.91
+COc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1,CHEMBL253502,6.83
+CC1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL404352,7.52
+CC1(c2ccc(Br)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL403843,6.52
+CC1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL252496,6.06
+CC1(c2ccc(I)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O,CHEMBL253061,6.02
+NC1=NCc2c(ccc(Cl)c2Cl)N1,CHEMBL1548,5.94
+C[C@@H]1N=C(N)Nc2cccc(Cl)c21,CHEMBL404372,5.99
+C[C@@H]1N=C(NCC(F)F)Nc2cccc(Cl)c21,CHEMBL541993,5.35
+CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,CHEMBL409662,6.73
+O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1,CHEMBL411663,5.74
+O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL260994,6.24
+O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,CHEMBL495075,5.39
+O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CCNCC2,CHEMBL520267,6.71
+CCN1CCc2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL521419,7.92
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C2CCCCC2)CC3)c1,CHEMBL482260,6.6
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C2CCCC2)CC3)c1,CHEMBL482100,6.49
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(CCc2ccccc2)CC3)c1,CHEMBL482099,6.3
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(Cc2ccccc2)CC3)c1,CHEMBL519299,6.86
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C(C)C)CC3)c1,CHEMBL518762,7.07
+CCCN1CCc2c(n(S(=O)(=O)c3cccc(OC)c3)c3ccccc23)CC1,CHEMBL479375,6.91
+CCN1CCc2c(n(S(=O)(=O)c3cccc(OC)c3)c3ccccc23)CC1,CHEMBL479374,7.3
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C)CC3)c1,CHEMBL518153,7.72
+COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1,CHEMBL480123,7.92
+COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)cc1,CHEMBL479362,7.48
+COc1ccccc1S(=O)(=O)n1c2c(c3ccccc31)CCNCC2,CHEMBL479548,7.72
+O=S(=O)(c1ccc2c(Cl)cccc2c1)n1c2c(c3ccccc31)CCNCC2,CHEMBL521426,7.62
+O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c2c(c3ccccc31)CCNCC2,CHEMBL481472,7.34
+O=S(=O)(c1cccc(C(F)(F)F)c1)n1c2c(c3ccccc31)CCNCC2,CHEMBL481278,7.05
+Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)cc1,CHEMBL479349,7.54
+Cc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1,CHEMBL520777,7.17
+O=S(=O)(c1ccc(Cl)cc1)n1c2c(c3ccccc31)CCNCC2,CHEMBL511489,7.74
+O=S(=O)(c1cccc(Cl)c1)n1c2c(c3ccccc31)CCNCC2,CHEMBL471783,7.39
+O=S(=O)(c1ccccc1Cl)n1c2c(c3ccccc31)CCNCC2,CHEMBL471099,7.72
+O=S(=O)(c1ccc(F)cc1)n1c2c(c3ccccc31)CCNCC2,CHEMBL513051,7.64
+O=S(=O)(c1cccc(F)c1)n1c2c(c3ccccc31)CCNCC2,CHEMBL500305,7.48
+O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL476108,6.53
+NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12,CHEMBL484345,8.1
+NCCC(=O)Nc1ccc2c(cnn2S(=O)(=O)c2cccc3ccccc23)c1,CHEMBL482736,7.3
+NCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL520795,9.3
+CNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL520343,8.92
+CN(C)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL484926,8.74
+CCN(CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL484927,8.68
+O=C(CCN1CCCCC1)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL484333,7.82
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL482562,8.64
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1,CHEMBL520129,8.89
+O=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc21,CHEMBL482756,7.74
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@H]1CCCNC1,CHEMBL484593,8.49
+O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@@H]1CCCNC1,CHEMBL482757,8.4
+Cc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1,CHEMBL483358,9.22
+Cc1c(OCc2ccccc2)cccc1N1CCNCC1,CHEMBL483148,8.89
+Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1,CHEMBL520638,8.82
+Cc1c(C2CCNCC2)ccnc1OC(c1cccc(Cl)c1)C(F)(F)F,CHEMBL482989,8.62
+Cc1c(OCc2cccc(F)c2)cccc1C1CCNCC1,CHEMBL450673,8.6
+Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1,CHEMBL527098,8.57
+Cc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1,CHEMBL484164,8.55
+Cc1c(OCc2cccc(Cl)c2)cccc1C1CCNCC1,CHEMBL485147,8.48
+Cc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1,CHEMBL482937,8.46
+Cc1c(C2CCNCC2)ccnc1OC(c1cccc(F)c1)C(F)(F)F,CHEMBL482990,8.37
+Cc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCNCC1,CHEMBL482737,8.24
+CCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1,CHEMBL482988,8.19
+Cc1c(COc2cccc(F)c2)cccc1C1CCNCC1,CHEMBL482938,8.19
+Cc1c(O[C@@H](C)c2cccc(F)c2)cccc1C1CCNCC1,CHEMBL506736,8.16
+Cc1c(C2CCNCC2)ccnc1OCc1cccc(Cl)c1,CHEMBL484009,8.09
+Cc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1,CHEMBL483560,8.03
+Cc1ccccc1S(=O)(=O)Oc1cccc(C2CCNCC2)c1C,CHEMBL484533,8.0
+Cc1c(OCc2cccc(F)c2)cccc1N1CCNCC1,CHEMBL483149,7.99
+Cc1c(C2CCNCC2)ccnc1O[C@@H](C)c1cccc(Cl)c1,CHEMBL484337,7.98
+CCc1ccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)cc1,CHEMBL482749,7.95
+Cc1c(OCc2ccccc2F)cccc1N1CCNCC1,CHEMBL483559,7.94
+Cc1c(OS(=O)(=O)c2ccccc2F)cccc1C1CCNCC1,CHEMBL519513,7.87
+Cc1cccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)c1,CHEMBL484534,7.82
+Cc1c(OCc2cccc(C#N)c2)cccc1N1CCNCC1,CHEMBL483558,7.82
+Cc1c(C2CCNCC2)ccnc1OCc1cccc(F)c1,CHEMBL519670,7.75
+CCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1,CHEMBL519536,7.75
+Cc1c(OS(=O)(=O)c2cccc(F)c2)cccc1C1CCNCC1,CHEMBL482541,7.74
+Cc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1,CHEMBL484010,7.72
+Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1,CHEMBL482939,7.71
+Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)cccc1C1CCNCC1,CHEMBL484532,7.61
+Cc1c(OS(=O)(=O)c2cccc(Cl)c2)cccc1C1CCNCC1,CHEMBL453732,7.58
+Cc1ccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)cc1,CHEMBL482748,7.54
+Cc1c(O[C@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1,CHEMBL485531,7.4
+Cc1c(O[C@H](C)c2cccc(F)c2)cccc1C1CCNCC1,CHEMBL485010,7.4
+Cc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1,CHEMBL455332,7.38
+Cc1c(O[C@@H](C)c2ccccc2)cccc1N1CCNCC1,CHEMBL484964,7.34
+Cc1c(C2CCNCC2)ccnc1O[C@@H](C)c1ccccc1,CHEMBL474089,7.31
+Cc1c(C2CCNCC2)ccnc1OCc1ccc(Cl)cc1,CHEMBL475902,7.3
+Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CCNCC1,CHEMBL482568,7.21
+Cc1c(O[C@H](C)c2ccccc2)cccc1N1CCNCC1,CHEMBL484965,7.15
+Cc1cccc(COc2cccc(C3CCNCC3)c2C)c1,CHEMBL484608,7.03
+Cc1c(OCc2cccnc2)cccc1N1CCNCC1,CHEMBL482573,6.9
+Cc1c(OCc2cccc(C#N)c2)cccc1C1CCNCC1,CHEMBL452402,6.76
+Cc1c(C2CCNCC2)ccnc1O[C@H](C)c1cccc(Cl)c1,CHEMBL485016,6.68
+Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1,CHEMBL519359,6.66
+Cc1c(C2CCNCC2)ccnc1OCc1ccc(F)cc1F,CHEMBL474088,6.62
+O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1,CHEMBL458001,6.31
+Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458002,6.08
+Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL458220,5.47
+CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1,CHEMBL478896,6.56
+CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1,CHEMBL478686,7.7
+CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1,CHEMBL457570,7.29
+CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\c1ccccc1,CHEMBL457569,6.67
+O=S(=O)(Nc1ccc2c(c1)C(CCN1CCCCC1)=CC2)c1c(Cl)nc2sccn12,CHEMBL478895,7.51
+CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1,CHEMBL478894,7.77
+CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21,CHEMBL515307,8.0
+CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1,CHEMBL476006,8.35
+CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3csc4ccccc34)ccc2C1,CHEMBL477650,7.28
+O=S(=O)(c1ccccc1)n1ccc2cc3c(cc21)CCNCC3,CHEMBL517828,8.8
+O=S(=O)(c1ccccc1Cl)n1ccc2cc3c(cc21)CCNCC3,CHEMBL478223,8.1
+O=S(=O)(c1cccc(Cl)c1)n1ccc2cc3c(cc21)CCNCC3,CHEMBL446054,8.8
+O=S(=O)(c1ccc(Cl)cc1)n1ccc2cc3c(cc21)CCNCC3,CHEMBL477385,8.1
+COc1cccc(S(=O)(=O)n2ccc3cc4c(cc32)CCNCC4)c1,CHEMBL477386,8.7
+O=S(=O)(c1ccccn1)n1ccc2cc3c(cc21)CCNCC3,CHEMBL477387,7.0
+O=S(=O)(c1ccsc1)n1ccc2cc3c(cc21)CCNCC3,CHEMBL517503,8.1
+O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3,CHEMBL515624,8.6
+O=S(=O)(c1cccc(Cl)c1)n1cc(Cl)c2cc3c(cc21)CCNCC3,CHEMBL478870,8.4
+CN1CCc2cc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3cc2CC1,CHEMBL518591,8.9
+Cn1cc(S(=O)(=O)c2ccccc2)c2cc3c(cc21)CCNCC3,CHEMBL478871,8.7
+O=S(=O)(c1ccccc1)N1CCCc2cc3c(cc21)CCNCC3,CHEMBL478872,7.4
+O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccccc1,CHEMBL479067,8.7
+O=S(=O)(c1ccccc1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL459349,7.39
+O=S(=O)(c1cccc(F)c1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL518781,7.27
+O=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL518670,7.19
+O=S(=O)(c1cccc(Cl)c1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL462529,7.51
+CC(C)c1ccc(S(=O)(=O)c2cccc3oc(N4CCNCC4)nc23)cc1,CHEMBL459347,7.66
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL459348,7.66
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cccc2oc(N3CCNCC3)nc12,CHEMBL518017,7.48
+COc1cccc(S(=O)(=O)c2cccc3oc(N4CCNCC4)nc23)c1,CHEMBL459989,7.6
+O=S(=O)(c1cc(Cl)ccc1Cl)c1cccc2oc(N3CCNCC3)nc12,CHEMBL460194,7.89
+O=S(=O)(c1cccc2ccccc12)c1cccc2oc(N3CCNCC3)nc12,CHEMBL460195,8.51
+O=S(=O)(c1ccc2oc(N3CCNCC3)nc2c1)c1cccc2ccccc12,CHEMBL460626,7.28
+O=S(=O)(c1ccc2nc(N3CCNCC3)oc2c1)c1cccc2ccccc12,CHEMBL459782,6.71
+O=S(=O)(c1cccc2ccccc12)c1cccc2nc(N3CCNCC3)oc12,CHEMBL459987,8.15
+CN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL459988,8.01
+CCN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL459371,7.92
+CCCN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL517707,7.44
+CC(C)N1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL459372,7.89
+CCCCN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL460001,7.06
+CC(C)CN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1,CHEMBL460624,6.75
+O=S(=O)(c1cccc2ccccc12)c1cccc2oc(N3CCN(CCCc4ccccc4)CC3)nc12,CHEMBL518639,6.9
+O=S(=O)(c1cccc2ccccc12)c1cccc2oc(N3CCN(C4CCC4)CC3)nc12,CHEMBL460625,7.14
+O=S(=O)(c1cccc2ccccc12)c1cccc2oc(N3CCN(C4CCCC4)CC3)nc12,CHEMBL460002,7.1
+Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1,CHEMBL522708,5.8
+COc1cc(CCNCc2ccccc2OC)c(OC)cc1I,CHEMBL482496,7.14
+COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL402143,5.41
+COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL515472,5.42
+CN1CCC(C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1,CHEMBL575310,8.52
+N=C(N)N/N=C1\CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21,CHEMBL574856,7.21
+CN1CCOc2ccc(S(=O)(=O)Nc3ccc4c(c3)/C(=N/NC(=N)N)CC4)cc21,CHEMBL573981,7.59
+CN1CCOc2ccc(S(=O)(=O)Nc3ccc4c(c3)/C(=N\NC3=NCCN3)CC4)cc21,CHEMBL576967,7.15
+N=C(N)N/N=C1\CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21,CHEMBL577570,8.92
+CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2/C1=N/NC(=N)N,CHEMBL573521,8.8
+N=C(N)N/N=C1\CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21,CHEMBL578631,8.59
+CC1(C)C/C(=N\NC(=N)N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21,CHEMBL575270,8.28
+CN(c1ccc2c(c1)/C(=N/NC(=N)N)CC2)S(=O)(=O)c1c(Cl)nc2sccn12,CHEMBL574625,8.39
+O=S(=O)(Nc1ccc2c(c1)/C(=N/NC1=NCCN1)CC2)c1c(Cl)nc2sccn12,CHEMBL574403,8.66
+C/C(=N\NC(=N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12,CHEMBL573982,9.0
+COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(/C(C)=N/NC(=N)N)c3c2)cc1,CHEMBL578023,9.0
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21,CHEMBL578826,7.64
+CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21,CHEMBL571858,8.317
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ncccc21,CHEMBL576312,6.43
+CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2ncccc21,CHEMBL570971,6.7
+CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2nc(Cl)ccc21,CHEMBL583896,6.67
+CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1ccccc1)cn2CCN(C)C,CHEMBL571635,7.25
+CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc(F)c1)cn2CCN(C)C,CHEMBL571878,7.95
+CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1ccc(Br)cc1)cn2CCN(C)C,CHEMBL572092,8.41
+CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc3ccccc13)cn2CCN(C)C,CHEMBL568935,8.77
+NCCn1cc(S(=O)(=O)c2cccc(F)c2)c2ncccc21,CHEMBL583677,7.12
+NCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2ncccc21,CHEMBL571413,7.46
+Cc1cccc(S(=O)(=O)c2cn(CCN)c3cccnc23)c1,CHEMBL571215,7.34
+NCCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2ncccc21,CHEMBL572087,7.38
+c1ccc(Cc2nc3c(N4CCNCC4)cccc3[nH]2)cc1,CHEMBL578411,7.375
+c1ccc2cc(Cc3nc4c(N5CCNCC5)cccc4[nH]3)ccc2c1,CHEMBL566219,7.54
+CN1CCN(c2cccc3[nH]c(Cc4cccc5ccccc45)nc23)CC1,CHEMBL566218,7.505
+c1ccc2c(Cc3nc4c(N5CCNCC5)cccc4[nH]3)cccc2c1,CHEMBL571762,7.8
+O=C(c1nc2c(N3CCNCC3)cccc2[nH]1)c1cccc2ccccc12,CHEMBL566213,7.867000000000001
+CNCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21,CHEMBL565723,9.52
+NCCn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccnc21,CHEMBL585931,7.66
+CN(C)CCn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccnc21,CHEMBL579063,7.35
+O=S(=O)(c1cccc(Cl)c1)c1cn(CCN2CCCC2)c2ncccc12,CHEMBL584474,7.35
+NCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21,CHEMBL565745,8.7
+CN(C)CCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21,CHEMBL584046,8.64
+O=S(=O)(c1cccc(F)c1)c1cn(CCN2CCCC2)c2ncccc12,CHEMBL567805,7.06
+NCCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21,CHEMBL568672,8.33
+Cc1c(S(=O)(=O)c2ccccc2)c2cccnc2n1CCN(C)C,CHEMBL565730,8.33
+Cc1c(S(=O)(=O)c2ccccc2)c2cccnc2n1CCN,CHEMBL577687,8.38
+NCCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21,CHEMBL576315,8.26
+NCCn1cc(S(=O)(=O)c2ccccc2C(F)(F)F)c2cccnc21,CHEMBL565731,8.68
+NCCn1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21,CHEMBL584049,8.68
+CN(C)CCn1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21,CHEMBL565977,8.37
+NCCn1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21,CHEMBL585098,8.54
+CN(C)CCn1cc(S(=O)(=O)c2c(Cl)cccc2Cl)c2cccnc21,CHEMBL568249,8.05
+CN(C)CCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL565552,9.0
+NCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21,CHEMBL585930,8.8
+CN(C)CCn1cc(S(=O)(=O)c2cccs2)c2cccnc21,CHEMBL565753,7.82
+CN(C)CCn1cc(S(=O)(=O)c2ccc(Cl)s2)c2cccnc21,CHEMBL583389,8.48
+CN(C)CCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21,CHEMBL565724,9.05
+CNCCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21,CHEMBL565976,9.0
+CN(C)CCn1cc(S(=O)(=O)c2cc(Cl)ccc2Cl)c2cccnc21,CHEMBL568673,7.93
+CNCCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21,CHEMBL565746,9.05
+Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,CHEMBL589390,7.53
+Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1,CHEMBL605081,8.62
+Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1,CHEMBL592752,8.61
+Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1,CHEMBL605405,9.21
+O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12,CHEMBL595252,6.36
+O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1,CHEMBL596199,9.4
+O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1,CHEMBL594548,8.0
+CC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21,CHEMBL605292,7.1
+COc1cc2c(cc1NS(=O)(=O)c1c(Cl)nc3sccn13)C(C)=C(C)C2,CHEMBL595301,7.19
+CC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1,CHEMBL593889,7.74
+O=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12,CHEMBL605938,8.52
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,CHEMBL467094,6.59
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL597002,8.37
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1,CHEMBL603483,7.74
+Cc1ccc(S(=O)(=O)c2[nH]nc3ccc(N4CCC(N)CC4)cc23)c2ccccc12,CHEMBL599663,8.44
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1,CHEMBL598850,8.34
+NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1,CHEMBL598851,8.09
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(N4CCC(N)CC4)cc23)cc1,CHEMBL606401,7.88
+N[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598229,8.51
+N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL604102,8.35
+NC1CN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598443,8.45
+CN(C)[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL598444,9.29
+CN(C)[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,CHEMBL597009,7.61
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21,CHEMBL599263,7.68
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21,CHEMBL599466,7.86
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21,CHEMBL599023,7.43
+Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12,CHEMBL605971,7.27
+CC(C)n1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12,CHEMBL591939,7.31
+CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12,CHEMBL591940,7.12
+O=S(=O)(c1ccccc1)c1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12,CHEMBL1081074,7.31
+O=S(=O)(c1ccccc1)c1cn(C2CCNCC2)c2ccccc12,CHEMBL1080574,7.04
+O=S(=O)(c1ccccc1)c1cn(C2CCCN(Cc3ccccc3)C2)c2ccccc12,CHEMBL1080741,6.91
+O=S(=O)(c1ccccc1)c1cn(C2CCCNC2)c2ccccc12,CHEMBL1076583,7.89
+CCN1CCCC(n2cc(S(=O)(=O)c3ccccc3)c3ccccc32)C1,CHEMBL1081094,8.14
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccccc12,CHEMBL1081095,8.22
+COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCNC1,CHEMBL1081110,7.97
+COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCN(C)C1,CHEMBL1081792,7.17
+CCN1CCCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(OC)ccc32)C1,CHEMBL1081793,7.8
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccc(F)cc12,CHEMBL1081794,8.4
+O=S(=O)(c1cccc2ccccc12)c1cn(C2CCCNC2)c2ccccc12,CHEMBL1081120,7.68
+CN1CCCC(n2cc(S(=O)(=O)c3cccc4ccccc34)c3ccccc32)C1,CHEMBL1079976,8.15
+O=S(=O)(c1cn(C2CCCNC2)c2ccccc12)c1cccc2cccnc12,CHEMBL1079977,8.25
+O=S(=O)(c1ccccc1)c1cn(C2CCN(Cc3ccccc3)C2)c2ccccc12,CHEMBL1079978,6.95
+O=S(=O)(c1ccccc1)c1cn(C2CCNC2)c2ccccc12,CHEMBL1076665,8.3
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2ccccc12,CHEMBL1080316,8.33
+CN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1,CHEMBL1076684,8.46
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2cccc(F)c12,CHEMBL1080331,7.74
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2ccc(F)cc12,CHEMBL1082198,8.02
+CN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(F)ccc32)C1,CHEMBL1082199,8.3
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2cc(F)ccc12,CHEMBL1082200,7.74
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2ccc(Cl)cc12,CHEMBL1076687,7.82
+O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2cc(Cl)ccc12,CHEMBL1080694,7.14
+O=S(=O)(c1cccc(Cl)c1)c1cn(C2CCNC2)c2ccccc12,CHEMBL1094370,8.49
+CN1CCC(n2cc(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)C1,CHEMBL1086719,8.89
+COc1ccc2c(S(=O)(=O)c3cccc(Cl)c3)cn(C3CCNC3)c2c1,CHEMBL1086720,8.34
+O=S(=O)(c1cccc2ccccc12)c1cn(C2CCNC2)c2ccccc12,CHEMBL1080380,7.63
+CN1CCC(n2cc(S(=O)(=O)c3cccc4ccccc34)c3ccccc32)C1,CHEMBL1080381,8.22
+O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12,CHEMBL1080729,8.82
+CN1CCC(n2cc(S(=O)(=O)c3cccc4cccnc34)c3ccccc32)C1,CHEMBL1080899,8.55
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)nc1,CHEMBL1078595,6.2
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(-c2ccccn2)s1,CHEMBL1078492,6.8
+CN1CCOc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3ccn[nH]3)CC4)ccc21,CHEMBL1078491,7.8
+CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1,CHEMBL1078208,6.7
+O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(-c2ccccc2)cc1,CHEMBL1078207,6.9
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccn[nH]2)CC3)cc1Cl,CHEMBL1079311,8.2
+CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1091206,9.34
+CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1091207,9.26
+CSc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1091208,8.1
+CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1091919,9.36
+CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1092241,9.17
+CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1,CHEMBL1095274,8.24
+CN1CCc2[nH]c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3c2C1,CHEMBL1099284,8.68
+CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1082761,9.285
+CNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1082762,9.59
+CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1082763,9.77
+CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1083075,9.535
+CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3,CHEMBL1083076,9.31
+CN(C)c1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1083077,7.54
+Cc1nc2c(S(=O)(=O)c3ccccc3)c(N(C)C)nn2c2c1CCC2,CHEMBL1083078,7.59
+Cc1nc2c(S(=O)(=O)c3ccccc3)c(N3CCNCC3)nn2c2c1CCC2,CHEMBL1083388,6.06
+Cc1nc2c(S(=O)(=O)c3ccccc3)c(N3CCNCC3)nn2c2c1CCCC2,CHEMBL1083389,5.75
+O=S(=O)(c1ccccc1)c1cnn2c(N3CCNCC3)c3c(nc12)CCC3,CHEMBL1084244,9.07
+COc1ccc(S(=O)(=O)N2CC(C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c2ccccc12,CHEMBL1082818,8.1
+COc1ccc(S(=O)(=O)N2CC(C(=O)NC3CCN(C)CC3)c3ccccc32)c2ccccc12,CHEMBL1085835,7.6
+COc1ccc(S(=O)(=O)N2CC(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc32)c2ccccc12,CHEMBL1085836,7.3
+COc1ccc(S(=O)(=O)N2CC(C(=O)N3CC(N)C3)c3ccccc32)c2ccccc12,CHEMBL1085361,6.8
+COc1ccc(S(=O)(=O)N2CC(C(=O)N3CC(CN)C3)c3ccccc32)c2ccccc12,CHEMBL1085362,7.1
+COc1ccc(S(=O)(=O)N2CC(C(=O)NC3CC4CCC(C3)N4C)c3ccccc32)c2ccccc12,CHEMBL1082494,7.5
+COc1ccc(S(=O)(=O)N2CC(C(=O)N3CCNCC3)c3ccccc32)c2ccccc12,CHEMBL1085608,8.1
+COc1cccc(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccc(OC)c5ccccc45)c4ccccc43)CC2)c1,CHEMBL1084614,7.2
+COc1ccc(S(=O)(=O)N2CC(C(=O)N3CCCNCC3)c3ccccc32)c2ccccc12,CHEMBL1084315,8.9
+CCN(CC)CCNC(=O)C1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL1084316,7.7
+CCN(CC)CCCNC(=O)C1CN(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL1084317,7.1
+COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCOCC3)c3ccccc32)c2ccccc12,CHEMBL1083122,7.5
+COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCn3ccnc3)c3ccccc32)c2ccccc12,CHEMBL1082483,7.1
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc4c(Cl)cccc34)c3ccccc32)CC1,CHEMBL1082484,8.3
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc4ccccc34)c3ccccc32)CC1,CHEMBL1082485,7.5
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc32)CC1,CHEMBL1085351,7.6
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)C3=CC4CCOC4C=C3)c3ccccc32)CC1,CHEMBL1085352,7.5
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccccc32)CC1,CHEMBL1085353,7.3
+Cc1cnc2c(S(=O)(=O)N3CC(C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1,CHEMBL1085354,6.5
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc4nsnc34)c3ccccc32)CC1,CHEMBL1082764,6.9
+Cc1c(S(=O)(=O)N2CC(C(=O)N(C)C3CCN(C)CC3)c3ccccc32)sc2ccc(Cl)cc12,CHEMBL1082765,7.2
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccccc3)c3ccccc32)CC1,CHEMBL1082767,6.5
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1,CHEMBL1082766,6.5
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc32)CC1,CHEMBL1083909,7.6
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1,CHEMBL1085965,7.7
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1,CHEMBL1083297,7.6
+COc1ccc(S(=O)(=O)N2CC(C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c(C)c1C,CHEMBL1083298,7.0
+COc1cc(C)c(S(=O)(=O)N2CC(C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c(C)c1C,CHEMBL1084214,7.0
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)CC1,CHEMBL1084482,6.9
+CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc(-c4ccccc4)c3)c3ccccc32)CC1,CHEMBL1084483,7.5
+N=C(N)NCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1086079,9.8
+CC(=N)NCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1086080,9.2
+CNCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1085111,9.5
+CN(C)CC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1085462,10.2
+O=S(=O)(c1ccccc1)c1ccc2c(c1)CCCC2CNc1ncccn1,CHEMBL1085112,7.6
+NC(=O)NCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1085113,9.2
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1086323,9.8
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(O)c3)ccc21,CHEMBL1086324,9.6
+COc1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1,CHEMBL1086325,9.4
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086326,10.1
+CS(=O)(=O)c1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1,CHEMBL1085115,8.4
+N#Cc1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3C=N)c1,CHEMBL1085368,9.3
+NC[C@@H]1CCCc2cc(S(=O)(=O)Cc3ccccc3)ccc21,CHEMBL1086546,6.8
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21,CHEMBL1085372,9.5
+CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21,CHEMBL1085617,9.8
+Cn1ccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1,CHEMBL1085618,8.1
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cn[nH]c3)ccc21,CHEMBL1085619,8.7
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cncs3)ccc21,CHEMBL1084793,9.1
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3c[nH]c4ccccc34)ccc21,CHEMBL1084794,10.3
+NC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21,CHEMBL1086251,8.3
+NC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086252,10.0
+CN(CC(N)=O)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086253,8.9
+CNC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1085036,9.0
+O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNCCO,CHEMBL1085037,9.9
+COCCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1085038,9.6
+O=S(=O)(O)CCCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086476,8.9
+NCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086477,9.5
+CNCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1085585,9.8
+CN(C)CC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084071,9.4
+N=C(N)NC(=O)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1083575,9.2
+NC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1082508,9.7
+CNC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1082509,9.4
+CN(C)C(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1082510,8.6
+CN(C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)C(N)=O,CHEMBL1085852,7.4
+COC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084874,8.8
+CC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1083886,9.9
+CC(=O)N(C)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084875,8.8
+O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1085120,10.0
+COCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084358,9.1
+CC(C)(C)C(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084359,8.4
+CC(C)(O)C(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1083780,8.7
+CS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1083781,9.7
+CN(C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)S(C)(=O)=O,CHEMBL1083782,9.4
+O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)C(F)(F)F,CHEMBL1083481,7.5
+NS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1084711,9.9
+CN(C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)S(N)(=O)=O,CHEMBL1086572,8.4
+CNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1086573,9.0
+CN(C)S(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1083173,8.7
+O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CCCS1(=O)=O,CHEMBL1085879,7.5
+O=C1CN=C(NC[C@@H]2CCCc3cc(S(=O)(=O)c4cccc(F)c4)ccc32)N1,CHEMBL1086113,10.0
+O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)c1ccc[nH]1,CHEMBL1086114,8.3
+O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)c1ncc[nH]1,CHEMBL1085409,7.8
+O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)[C@H]1CCCN1,CHEMBL1085651,9.2
+O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CC(O)C1,CHEMBL1085658,10.0
+O=C1CN(C[C@@H]2CCCc3cc(S(=O)(=O)c4cccc(F)c4)ccc32)CCN1,CHEMBL1084335,8.2
+O=S(=O)(c1cccc(F)c1)c1cc(F)c2c(c1)CCC[C@H]2CNCCO,CHEMBL1084336,9.8
+NC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21,CHEMBL1084603,9.7
+O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21,CHEMBL1084604,9.6
+CC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)cc(F)c21,CHEMBL1082777,9.5
+O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCCC1)c1sccc12,CHEMBL1170672,8.26
+O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(NCc1cccnc1)c1sccc12,CHEMBL1172795,7.83
+O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1cccs1)c1sccc12,CHEMBL1172726,8.77
+O=S(=O)(c1ccccc1)c1nnn2c1nc(NCC1CCCO1)c1sccc12,CHEMBL1173359,8.09
+CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12,CHEMBL1169707,8.64
+CC12CC3CC(C)(C1)CC(Nc1nc4c(S(=O)(=O)c5ccccc5)nnn4c4ccsc14)(C3)C2,CHEMBL1173209,7.58
+CC(C)CCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc12,CHEMBL1170871,7.8
+CC(Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12)C12CC3CC(CC(C3)C1)C2,CHEMBL1173577,6.99
+CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12,CHEMBL1173578,8.46
+O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCc1ccc3c(c1)OCO3)c1sccc12,CHEMBL1173579,7.54
+O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCCC1)c1sccc12,CHEMBL1173210,7.06
+O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccco1)c1sccc12,CHEMBL1172725,8.55
+CC(C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12,CHEMBL1170091,7.52
+O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCCCC1)c1sccc12,CHEMBL1170673,8.49
+Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N)c2sccc23)c1,CHEMBL1173508,7.34
+COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1,CHEMBL1210710,9.12
+O=S(=O)(c1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12,CHEMBL1242614,9.0
+O=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12,CHEMBL1242702,9.0
+CN1CCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,CHEMBL1242703,9.1
+CCN1CCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,CHEMBL1242791,8.85
+O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1c(Cl)nc2sccn12,CHEMBL1242425,9.15
+CN1CCCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,CHEMBL1242517,8.7
+CCN1CCCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,CHEMBL1242518,9.15
+CC(C)N1CCCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,CHEMBL1242615,8.77
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.31
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256249,6.78
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256250,6.58
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256251,6.35
+COc1ccc(N(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)S(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCNCC1,CHEMBL1256252,7.57
+COc1ccc(N(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL1256253,6.13
+COc1ccc(N(CCCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,CHEMBL1256254,6.67
+Cc1c(S(=O)(=O)Nc2ccc(OCCCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)c(N3CCNCC3)c2)sc2ccc(Cl)cc12,CHEMBL1256255,6.13
+COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCNCC1,CHEMBL1258607,8.1
+COc1ccc(N(S(=O)(=O)c2cccc3c(N(C)C)cccc23)S(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCNCC1,CHEMBL1256256,6.87
+COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256257,6.76
+COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256258,6.26
+COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,CHEMBL1256259,6.71
+COc1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccc(N(C)C)cc4)o3)cc2)cc1N1CCNCC1,CHEMBL1258714,6.28
+COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCCC2SC[C@@H]3NC(=O)N[C@H]23)CC1,CHEMBL1256172,7.05
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL19215,7.89
+O=S(=O)(c1cccc(F)c1)c1[nH]nc2cccc(N3CCNCC3)c12,CHEMBL1277749,6.87
+O=S(=O)(c1ccc(Cl)cc1)c1[nH]nc2cccc(N3CCNCC3)c12,CHEMBL1277750,6.9
+Cc1ccc(S(=O)(=O)c2[nH]nc3cccc(N4CCNCC4)c23)cc1,CHEMBL1277834,6.87
+COc1ccc(S(=O)(=O)c2[nH]nc3cccc(N4CCNCC4)c23)cc1,CHEMBL1277835,7.06
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(N3CCNCC3)c12,CHEMBL1277916,7.32
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1,CHEMBL1277917,8.72
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4F)c3c2)CC1,CHEMBL1277998,8.26
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc(F)c4)c3c2)CC1,CHEMBL1277999,8.77
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1,CHEMBL1278090,8.28
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4Cl)c3c2)CC1,CHEMBL1278091,8.4
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1,CHEMBL1278179,9.0
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(Cl)cc4)c3c2)CC1,CHEMBL1278180,8.09
+COc1cccc(S(=O)(=O)c2[nH]nc3ccc(N4CCN(C)CC4)cc23)c1,CHEMBL1276838,8.96
+COc1ccc(S(=O)(=O)c2[nH]nc3ccc(N4CCN(C)CC4)cc23)cc1,CHEMBL1276839,7.92
+Cc1cccc(S(=O)(=O)c2[nH]nc3ccc(N4CCN(C)CC4)cc23)c1,CHEMBL1276925,9.05
+Cc1ccc(S(=O)(=O)c2[nH]nc3ccc(N4CCN(C)CC4)cc23)cc1,CHEMBL1276926,8.31
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccs4)c3c2)CC1,CHEMBL1277010,8.11
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4c(Cl)cccc4Cl)c3c2)CC1,CHEMBL1277011,8.59
+CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1,CHEMBL1277104,8.8
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12,CHEMBL1277105,8.96
+O=S(=O)(c1cccc(F)c1)c1[nH]nc2cc(N3CCNCC3)ccc12,CHEMBL1277192,7.96
+O=S(=O)(c1ccc(Cl)cc1)c1[nH]nc2cc(N3CCNCC3)ccc12,CHEMBL1277193,6.96
+Cc1ccc(S(=O)(=O)c2[nH]nc3cc(N4CCNCC4)ccc23)cc1,CHEMBL1277286,7.57
+COc1ccc(S(=O)(=O)c2[nH]nc3cc(N4CCNCC4)ccc23)cc1,CHEMBL1277287,6.91
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1[nH]nc2cc(N3CCNCC3)ccc12,CHEMBL1277375,6.68
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cc(N3CCNCC3)ccc12,CHEMBL1277376,7.66
+CN1CCN(c2cccc3c(S(=O)(=O)c4cccc5ccccc45)[nH]nc23)CC1,CHEMBL1277466,8.34
+CCn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21,CHEMBL1277467,8.54
+CN1CCN(c2ccc3c(c2)c(S(=O)(=O)c2cccc4ccccc24)nn3C)CC1,CHEMBL1277564,8.77
+Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277565,8.8
+CCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21,CHEMBL1277656,8.77
+CCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277657,8.72
+CCCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21,CHEMBL1277751,8.74
+CCCn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277752,8.66
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21,CHEMBL1277836,8.74
+CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1277837,8.54
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCN(C)CC3)ccc21,CHEMBL1277918,8.85
+CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21,CHEMBL1275630,8.34
+CN1CCN(c2ccc3c(c2)c(S(=O)(=O)c2cccc4ccccc24)nn3Cc2ccccc2)CC1,CHEMBL1278000,8.7
+O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12,CHEMBL1278001,8.12
+Cn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21,CHEMBL1278092,8.49
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5ccccc5)c4)CC3)cccc2n1,CHEMBL1632223,6.5
+Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1,CHEMBL1632217,6.1
+Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1,CHEMBL1631542,5.5
+NCCNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642848,8.17
+CC(N)CNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642849,8.85
+CC(C)[C@H](N)CNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642850,8.37
+NCCNc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,CHEMBL1642854,7.77
+NCCNc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,CHEMBL1642858,7.77
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NC3CCNCC3)c12,CHEMBL1642845,8.55
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642851,9.15
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cc(NC3CCNCC3)ccc12,CHEMBL1642855,7.28
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2c(NC3CCNCC3)cccc12,CHEMBL1642859,7.52
+O=S(=O)(c1ccccc1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642880,8.51
+O=S(=O)(c1cccc(F)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642881,8.17
+O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642882,9.0
+Cc1cccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)c1,CHEMBL1642883,9.1
+O=S(=O)(c1ccc(F)cc1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642884,8.2
+O=S(=O)(c1ccc(Cl)cc1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642885,8.64
+CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642886,9.0
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642887,8.82
+COc1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1,CHEMBL1642888,8.01
+O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12,CHEMBL1642889,9.22
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NC3CCCNC3)c12,CHEMBL1642846,8.38
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(NC3CCCNC3)cc12,CHEMBL1642852,8.77
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cc(NC3CCCNC3)ccc12,CHEMBL1642856,7.24
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2c(NC3CCCNC3)cccc12,CHEMBL1642860,7.18
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NCC3CCNCC3)c12,CHEMBL1642847,8.02
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(NCC3CCNCC3)cc12,CHEMBL1642853,8.46
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cc(NCC3CCNCC3)ccc12,CHEMBL1642857,7.36
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2c(NCC3CCNCC3)cccc12,CHEMBL1642861,7.77
+NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642865,8.82
+NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,CHEMBL1642867,7.62
+NCCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,CHEMBL1642872,8.47
+CN(C)CCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,CHEMBL1642868,7.36
+CCN(CC)CCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,CHEMBL1642869,7.19
+O=C(CCN1CCCCC1)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,CHEMBL1642870,7.92
+CN(C)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,CHEMBL1642873,8.32
+CCN(CC)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,CHEMBL1642874,7.57
+O=C(CCN1CCCCC1)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,CHEMBL1642875,7.62
+O=C(Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1,CHEMBL1642866,8.96
+O=C(Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1)C1CCNCC1,CHEMBL1642871,7.51
+O=C(Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12)C1CCNCC1,CHEMBL1642876,7.55
+O=C(Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12)C1CCCNC1,CHEMBL1642877,8.01
+CN(C)CCNC(=O)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642878,8.54
+O=C(NCCN1CCCCC1)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642879,6.97
+NCCNCc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642862,7.92
+CN(C)CCN(C)Cc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL1642863,7.85
+O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(CN3CCNCC3)cc12,CHEMBL1642864,9.62
+CC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccccc32)cc1,CHEMBL1642412,8.47
+CN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1,CHEMBL1642413,7.93
+CN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1,CHEMBL1642414,7.97
+CN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1,CHEMBL1642415,7.82
+CN1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL1642416,7.8
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)CC1,CHEMBL1642417,8.07
+CN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(Br)cc23)CC1,CHEMBL1642418,8.11
+CN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1,CHEMBL1642419,8.04
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1,CHEMBL1642420,7.97
+CC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3cc(Br)ccc32)cc1,CHEMBL1642421,7.63
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc(Br)cc23)CC1,CHEMBL1642422,7.52
+CN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(Br)cc23)CC1,CHEMBL1642423,7.99
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL1642424,7.97
+CCN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(Cl)cc23)CC1,CHEMBL1642425,7.69
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc(Cl)cc23)CC1,CHEMBL1642426,7.52
+CCN1CCN(c2cn(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc23)CC1,CHEMBL1642427,7.08
+CC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccc(Cl)cc32)cc1,CHEMBL1642428,7.26
+CCN1CCN(c2cn(S(=O)(=O)c3cc(OC)ccc3OC)c3cc(Cl)ccc23)CC1,CHEMBL1642429,7.2
+CCN1CCN(c2cn(S(=O)(=O)c3ccc4ccccc4c3)c3cc(Cl)ccc23)CC1,CHEMBL1642430,7.59
+CN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3cc(Cl)ccc23)CC1,CHEMBL1642431,7.52
+CSc1nn2c(N3CCNCC3)c3c(nc2c1S(=O)(=O)c1ccccc1)CCC3,CHEMBL1642114,8.835
+CSc1nn2cccnc2c1S(=O)(=O)c1ccccc1,CHEMBL1668499,6.94
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668500,8.802
+CSc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668501,7.78
+CSc1nn2c(C)ccnc2c1S(=O)(=O)c1ccccc1,CHEMBL1668502,7.64
+COCc1cc(C)nc2c(S(=O)(=O)c3ccccc3)c(SC)nn12,CHEMBL1668566,6.81
+COCc1cc(C)n2nc(SC)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1668567,8.49
+CSc1nn2c(CO)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668568,9.25
+CSc1nn2c(C)cc(CO)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668569,8.67
+CSc1nn2cccnc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1668570,7.82
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1668571,9.12
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1,CHEMBL1668572,8.97
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL1668573,8.5
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1,CHEMBL1668574,8.17
+CSc1nn2cccnc2c1S(=O)(=O)c1ccc(F)cc1,CHEMBL1668575,6.88
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(O)cc1,CHEMBL1668576,8.4
+COc1ccc(S(=O)(=O)c2c(SC)nn3c(C)cc(C)nc23)cc1,CHEMBL1668577,7.43
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(N(C)C)cc1,CHEMBL1668578,7.43
+CSc1nn2cccnc2c1S(=O)(=O)c1ccc(F)c(Cl)c1,CHEMBL1668579,7.35
+CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1,CHEMBL1668580,8.42
+CSc1nn2ccc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1,CHEMBL1668581,8.1
+CNc1nn2cccnc2c1S(=O)(=O)c1ccccc1,CHEMBL1668583,8.41
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668584,9.61
+CNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668585,8.84
+CNc1nn2c(C)ccnc2c1S(=O)(=O)c1ccccc1,CHEMBL1668586,9.62
+CNc1nn2c(COC)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668587,8.12
+CNc1nn2c(C)cc(COC)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668564,9.57
+CNc1nn2c(CO)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668565,9.55
+CNc1nn2c(C)cc(CO)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1668588,9.32
+CNc1nn2cccnc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1668589,8.93
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1668590,9.73
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1,CHEMBL1668591,9.3
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1,CHEMBL1668592,9.4
+CNc1nn2cccnc2c1S(=O)(=O)c1ccc(F)cc1,CHEMBL1668593,7.93
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(O)cc1,CHEMBL1668594,8.7
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1,CHEMBL1668595,8.02
+CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1,CHEMBL1668596,9.22
+CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1762568,8.72
+Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762569,7.84
+Cc1cc(C)n2nc(C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762570,7.122999999999999
+Cc1cc(C)n2nc(N(C)CCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762572,6.31
+Cc1cc(C)n2ncc(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1429795,6.502999999999999
+Cc1cc(C)n2nc(NCCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762573,6.12
+Cc1cc(C)n2nc(N3CCNCC3)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762574,5.86
+Cc1cc(C)n2nc(OCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762575,5.66
+Cc1cc(C)n2nc(NCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762576,5.59
+Cc1cc(C)n2nc(S(C)=O)c(S(=O)(=O)c3ccccc3)c2n1,CHEMBL1762577,5.53
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,8.3
+Cc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782357,7.09
+Cc1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782358,7.3
+Cc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782359,6.96
+COc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782360,7.64
+COc1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782361,6.96
+COc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782362,7.11
+Fc1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782363,6.82
+Fc1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782364,6.8
+FC(F)(F)c1ccccc1Sc1ccc2c(c1)N1CCNCC1C2,CHEMBL1782365,6.48
+FC(F)(F)c1cccc(Sc2ccc3c(c2)N2CCNCC2C3)c1,CHEMBL1782366,6.52
+FC(F)(F)c1ccc(Sc2ccc3c(c2)N2CCNCC2C3)cc1,CHEMBL1782367,6.12
+Cc1cccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)c1,CHEMBL1783602,7.3
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc23)CC1,CHEMBL1783601,7.72
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc(F)c4)cc23)CC1,CHEMBL1783600,7.03
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccccc4)cc23)CC1,CHEMBL1783599,7.26
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc(F)cc4)cc23)CC1,CHEMBL1783603,7.18
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)cc23)CC1,CHEMBL1783604,7.34
+CC(C)c1ccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)cc1,CHEMBL1783582,7.85
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc23)CC1,CHEMBL1783605,7.32
+COc1ccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)cc1,CHEMBL1783606,6.91
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc5ccccc45)cc23)CC1,CHEMBL1783607,8.42
+CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc5ccccc5c4)cc23)CC1,CHEMBL1783608,8.02
+CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2F)CC1,CHEMBL1784912,8.47
+CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL1785074,8.53
+CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(Cl)cc2)CC1,CHEMBL1785073,8.03
+CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1,CHEMBL1785072,8.38
+O=S(=O)(c1ccc(F)cc1F)n1cc(Cl)c2cc(CN3CCNCC3)ccc21,CHEMBL1785071,8.25
+O=S(=O)(c1ccc(F)cc1)n1cc(Cl)c2cc(CN3CCNCC3)ccc21,CHEMBL1785070,8.59
+CC(C)c1ccc(S(=O)(=O)n2ccc3cc(CN4CCNCC4)ccc32)cc1,CHEMBL1785069,7.83
+O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21,CHEMBL1785068,8.6
+O=S(=O)(c1ccccc1Br)n1ccc2cc(CN3CCNCC3)ccc21,CHEMBL1785067,8.11
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)CC1,CHEMBL1785066,8.5
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1,CHEMBL1785065,8.52
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(Cl)c3Cl)c2)CC1,CHEMBL1785064,7.74
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3Br)c2)CC1,CHEMBL1785063,8.08
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)CC1,CHEMBL1785062,7.95
+CC(C)c1ccc(S(=O)(=O)n2ccc3cc(CN4CCN(C)CC4)ccc32)cc1,CHEMBL1785061,7.75
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1,CHEMBL1785060,7.84
+CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1,CHEMBL1785059,8.42
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1,CHEMBL1785058,7.55
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3F)c2)CC1,CHEMBL1785057,7.91
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1,CHEMBL1785056,8.49
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2)CC1,CHEMBL1785055,7.96
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(C(C)C)cc3)c2)CC1,CHEMBL1784915,8.24
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)CC1,CHEMBL1784918,8.24
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(Cl)c3Cl)c2)CC1,CHEMBL1784917,8.26
+CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3Br)c2)CC1,CHEMBL1784916,8.59
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(C)=N1,CHEMBL1834232,6.64
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(F)cc1,CHEMBL1834239,6.86
+CCN=C(NS(=O)(=O)c1c(Cl)cccc1Cl)N1CC(CC)C=N1,CHEMBL1834336,6.71
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccncc1,CHEMBL1834237,6.49
+CCN=C(NS(=O)(=O)c1c(C)nn(C)c1Cl)N1CC(CC)C=N1,CHEMBL1834343,6.29
+CCN=C(NS(=O)(=O)c1cccc(OC)c1)N1CC(CC)C=N1,CHEMBL1834332,7.58
+CCN=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC(CC)C=N1,CHEMBL1834335,6.92
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)(CC)C=N1,CHEMBL1834346,7.3
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC=N1,CHEMBL1834231,7.47
+CCN=C(NS(=O)(=O)c1cccc(C)c1)N1CC(CC)C=N1,CHEMBL1834243,7.56
+CCN=C(NS(=O)(=O)c1ccccc1)N1CC(C)(C)C=N1,CHEMBL1834352,6.83
+CCCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1,CHEMBL1834227,7.84
+CCC1C=NN(C(=N)NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL1834229,7.62
+CCN=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC(CC)C=N1,CHEMBL1834242,7.75
+CCN=C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC(CC)C=N1,CHEMBL1834334,7.66
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1,CHEMBL1834234,7.62
+CCN=C(NS(=O)(=O)c1ccccc1)N1CC(CC)C=N1,CHEMBL1834225,7.47
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1,CHEMBL1834345,7.62
+CCN=C(NS(=O)(=O)c1cccc(F)c1)N1CC(CC)C=N1,CHEMBL1834241,7.77
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccccc1,CHEMBL1834235,8.03
+CCN/C(=N\S(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C=N1,CHEMBL1834341,8.1
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCOCC2,CHEMBL1834349,7.15
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)C=N1,CHEMBL1834230,8.1
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccco1,CHEMBL1834238,8.09
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1,CHEMBL1834337,8.57
+CCN=C(NS(=O)(=O)c1ccc2ccccc2c1)N1CC(CC)C=N1,CHEMBL1834339,7.76
+CCN/C(=N\S(=O)c1sc2ccc(Cl)cc2c1C)N1CC(CC)C=N1,CHEMBL1834340,8.07
+CCN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(CC)C=N1,CHEMBL1834221,7.56
+CCC1C=NN(C(=NC)NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL1834228,7.75
+CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(CC)C=N1,CHEMBL1834240,7.73
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCCC2,CHEMBL1834347,8.19
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCCCC2,CHEMBL1834348,8.28
+CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1,CHEMBL1834342,8.39
+CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1,CHEMBL1834338,8.25
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2,CHEMBL1834350,8.14
+CCN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CC)C=N1,CHEMBL1834333,8.1
+CCC1C=NN(C(=NCc2ccccc2)NS(=O)(=O)c2ccccc2Cl)C1,CHEMBL1834222,7.04
+CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CF)(CF)C=N1,CHEMBL1834351,7.04
+CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL418971,5.6
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,5.61
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,6.53
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,CHEMBL1201203,5.89
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.82
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,CHEMBL1113,7.46
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.04
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1403281,8.12
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,CHEMBL629,7.19
+CCOC(=O)C1C(=COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,CHEMBL1491,5.87
+Clc1cc(Cl)c(OCC#CI)cc1Cl,CHEMBL1289,5.73
+CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL806,5.08
+CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL305660,5.99
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,5.3
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,CHEMBL1385840,8.15
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL41,6.11
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL119443,8.82
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL442,9.02
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CHEMBL723,6.15
+CN(C)CCC=C1c2ccccc2COc2ccccc21,CHEMBL1628227,6.905
+CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,CHEMBL1626,7.44
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,CHEMBL1123,5.85
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,CHEMBL1255837,7.72
+CCN(CC)C(=S)SSC(=S)N(CC)CC,CHEMBL964,5.13
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CHEMBL104,5.23
+CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL1732,8.83
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172,6.0
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411,5.22
+CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL954,5.93
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,6.945
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CHEMBL516,6.89
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,CHEMBL900,6.28
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,CHEMBL762,6.11
+CN(C)CCCN1c2ccccc2Sc2ccccc21,CHEMBL564,6.9
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,CHEMBL643,5.95
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,7.74
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,CHEMBL631,6.06
+NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL1909072,7.28
+CNCCC=C1c2ccccc2CCc2ccccc21,CHEMBL445,6.63
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27,5.85
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL728,6.91
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,CHEMBL1065,7.12
+CN1CCC(=C2c3ccccc3C=C(O)c3sccc32)CC1,CHEMBL534,6.28
+CNCCCC12CCC(c3ccccc31)c1ccccc12,CHEMBL21731,6.38
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,5.3
+CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL157138,8.26
+CN(C)CCN(Cc1cccs1)c1ccccn1,CHEMBL1411979,5.84
+CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC,CHEMBL1909065,9.1
+CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,CHEMBL395110,6.07
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,CHEMBL1201356,8.93
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CHEMBL1670,6.19
+COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,CHEMBL15245,6.11
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,CHEMBL479,7.48
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,5.945
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,6.33
+COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,CHEMBL62193,6.21
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL17157,6.22
+C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,CHEMBL429023,6.39
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1,CHEMBL1917342,6.08
+COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL1917344,5.67
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1,CHEMBL1917346,6.23
+O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1,CHEMBL1917347,5.82
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1,CHEMBL1917349,5.97
+O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1,CHEMBL1917350,5.58
+CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc2ncccc2c1,CHEMBL1917355,5.72
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1,CHEMBL1917358,4.84
+CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917359,5.71
+CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12,CHEMBL1917360,5.34
+CNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922614,9.52
+CNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1922615,9.66
+CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922616,9.85
+CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1922617,7.73
+CNc1nn2c(NC)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922618,9.24
+CNc1nn2c(N(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922619,9.46
+CNc1nn2c(NCCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922620,7.16
+CNc1nn2c(N(C)CCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922621,7.65
+CNc1nn2c(NCCCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922622,6.95
+CNc1nn2c(N3CCOCC3)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922623,7.78
+CNc1nn2c(N3CCN(C)CC3)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922624,8.36
+CNc1nn2c(CN)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922625,8.73
+CNc1nn2c(CN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922626,8.74
+CNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922629,9.01
+CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922630,9.28
+CNc1nn2c(C)c(NC(C)=O)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922631,8.33
+CNc1nn2c(C)c(N(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922632,9.68
+CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922633,9.19
+CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(F)c1,CHEMBL1922634,8.85
+CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1922635,9.26
+CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922636,9.15
+CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(F)c1,CHEMBL1922637,9.05
+CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1,CHEMBL1922638,9.38
+CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922639,8.86
+CNc1nn2c(C)c(CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922640,8.68
+CCNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1,CHEMBL1922641,8.57
+CNc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1cccc(F)c1,CHEMBL1922716,8.85
+CNc1nn2c(CCN)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922627,8.51
+CNc1nn2c(CCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL1922628,7.47
+O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOC1)NCC3,CHEMBL1935600,7.65
+O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOCC1)NCC3,CHEMBL1935599,8.68
+COCC1(C)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1935598,7.74
+CC1(C(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1935597,7.8
+CC1(C(F)(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1935596,6.86
+COc1cccc(S(=O)(=O)c2ccc3c4c(oc3c2)C(C)(C)NCC4)c1,CHEMBL1935595,7.76
+CC1(C)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21,CHEMBL1935594,8.54
+CC1(C)NCCc2c1oc1cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL1935593,8.11
+COc1cccc(S(=O)(=O)c2ccc3c4c(oc3c2)CNCC4)c1,CHEMBL1935592,8.25
+O=S(=O)(c1ccc(F)cc1)c1ccc2c3c(oc2c1)CNCC3,CHEMBL1935591,7.66
+O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)CNCC3,CHEMBL1935590,8.8
+O=S(=O)(c1ccccc1)c1ccc2c3c(oc2c1)CNCC3,CHEMBL1935589,8.555
+O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CCNC3,CHEMBL1935588,7.34
+O=S(=O)(c1cncc2ccccc12)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949977,4.78
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949976,4.6
+O=S(=O)(c1ccc2cccnc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949975,4.77
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949974,4.98
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,CHEMBL1949973,6.83
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12,CHEMBL1949972,6.9
+O=S(=O)(NCCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949971,5.66
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949970,6.12
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2cccnc2c1,CHEMBL1949969,5.76
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ncccc2c1,CHEMBL1949968,5.81
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949967,6.47
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2cccnc12,CHEMBL1949966,5.42
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ncccc2c1,CHEMBL1949965,6.4
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL1949964,6.81
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949963,6.86
+O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12,CHEMBL1949962,5.56
+O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949979,5.18
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949978,5.3
+Cn1c2c(c3cccc(S(=O)(=O)c4ccccc4)c31)C1CCC(C2)N1,CHEMBL1950748,6.09
+Cn1c2c(c3ccc(S(=O)(=O)c4ccccc4)cc31)C1CCC(C2)N1,CHEMBL1950749,6.91
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)C1CCC(C2)N1,CHEMBL1950750,8.01
+CN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2,CHEMBL1950751,8.11
+CCN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2,CHEMBL1950752,7.04
+O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)C1CCC(C3)N1,CHEMBL1950753,7.27
+CCn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)C1CCC(C2)N1,CHEMBL1950754,7.28
+CC(C)n1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)C1CCC(C2)N1,CHEMBL1950755,6.478
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)ccc31)C1CCC(C2)N1,CHEMBL1950756,8.34
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc31)C1CCC(C2)N1,CHEMBL1950757,8.385
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(F)cc4)ccc31)C1CCC(C2)N1,CHEMBL1950758,7.22
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4Cl)ccc31)C1CCC(C2)N1,CHEMBL1950759,8.32
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)C1CCC(C2)N1,CHEMBL1950760,8.677
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc31)C1CCC(C2)N1,CHEMBL1950761,7.43
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc31)C1CCC(C2)N1,CHEMBL1950762,8.625
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)(F)F)c4)ccc31)C1CCC(C2)N1,CHEMBL1950763,8.28
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)C1CCC(C2)N1,CHEMBL1950764,8.2
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(O)c4)ccc31)C1CCC(C2)N1,CHEMBL1950765,7.96
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(C#N)c4)ccc31)C1CCC(C2)N1,CHEMBL1950766,7.46
+Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)C1CCC(C2)N1,CHEMBL1950767,6.715
+Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)C1CCC(C2)N1,CHEMBL1950768,6.81
+Cn1c2c(c3cc(S(=O)(=O)c4ccsc4)ccc31)C1CCC(C2)N1,CHEMBL1950770,7.29
+Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)n1,CHEMBL1950771,6.0
+Cn1c2c(c3cc(S(=O)(=O)n4cccc4)ccc31)C1CCC(C2)N1,CHEMBL1950772,7.49
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccccc54)ccc31)C1CCC(C2)N1,CHEMBL1950773,9.053
+Cn1c2c(c3cc(S(=O)(=O)c4c[nH]c5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL1950774,8.98
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)C1CCC(C2)N1,CHEMBL1950775,9.49
+Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL1950776,9.492
+Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc21,CHEMBL1950777,9.19
+O=S(=O)(c1ccccc1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21,CHEMBL1949759,7.08
+O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1F,CHEMBL1949760,7.49
+O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1Cl,CHEMBL1949761,7.42
+O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1-c1ccccc1,CHEMBL1949762,7.82
+O=S(=O)(c1cccc(Cl)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21,CHEMBL1949764,7.96
+Cc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949765,7.43
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21,CHEMBL1949766,7.32
+COc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949767,7.07
+CC(C)Oc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949768,7.64
+COCCOc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949769,6.25
+COCCCOc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949770,6.69
+O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21,CHEMBL1949771,6.41
+Cc1ccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)cc1,CHEMBL1949772,7.19
+O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1cccc(Cl)c1Cl,CHEMBL1949928,8.5
+CC(C)Oc1cc(F)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949677,7.25
+CC(C)Oc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1F,CHEMBL1949929,7.465
+COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1,CHEMBL1949930,8.16
+O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,CHEMBL46516,5.93
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81,6.12
+CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,CHEMBL1655,5.38
+OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL87385,6.77
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1,CHEMBL2159455,6.39
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1,CHEMBL2159456,5.56
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159457,6.5
+O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL2159458,6.5
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1,CHEMBL2159459,5.67
+CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159460,6.75
+CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2159461,6.83
+O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1,CHEMBL2159462,6.08
+CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1,CHEMBL2159463,5.42
+O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1,CHEMBL2159464,6.06
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2159465,6.62
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1,CHEMBL2159466,6.7
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F,CHEMBL2159467,5.74
+CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc3ccccc3n2)C1,CHEMBL2159468,5.75
+O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1,CHEMBL2159469,5.87
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccs2)C1,CHEMBL2159470,6.59
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1,CHEMBL2159471,6.57
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1,CHEMBL2159472,6.99
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1,CHEMBL2159473,5.75
+O=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1,CHEMBL2159474,7.04
+O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1,CHEMBL2159475,6.65
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159476,6.02
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1,CHEMBL2159477,6.3
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2159478,6.45
+O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159479,6.61
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1ccc(F)cc1,CHEMBL2159480,7.02
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)c(F)c1,CHEMBL2159481,6.49
+O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1ccc(F)c(F)c1,CHEMBL2159482,6.02
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cc(F)ccc1F,CHEMBL2159483,6.29
+O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F,CHEMBL2159484,6.81
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159485,6.61
+CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2159486,6.73
+CC(C)c1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159487,6.7
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159488,6.69
+O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159489,6.99
+CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1,CHEMBL2159490,6.27
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(Cl)s1,CHEMBL2159491,6.26
+O=S(=O)(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1,CHEMBL2159492,6.57
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,5.21
+CN(C)C1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1,CHEMBL2165519,9.0
+NC1CCc2[nH]c3ccc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL2165521,7.24
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCC(N)C1,CHEMBL2163740,7.41
+NC1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2163739,7.13
+CNC1CCc2c(c3cc(OC)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2165567,7.88
+CNC1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2165566,7.77
+CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2)C1,CHEMBL2165565,7.54
+CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2F)C1,CHEMBL2165564,7.21
+CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1,CHEMBL2165563,7.15
+COc1ccc(S(=O)(=O)n2c3c(c4cc(SC)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165562,8.16
+COc1ccc(S(=O)(=O)n2c3c(c4cc(OC)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2163369,7.7
+COc1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165561,7.54
+COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CC(N(C)C)CC3)cc1,CHEMBL2165560,7.69
+CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(F)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165559,7.81
+CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165558,8.12
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CCC(N(C)C)C1,CHEMBL2165557,8.23
+CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CCC(N(C)C)C1,CHEMBL2165556,7.86
+Cc1ccc(S(=O)(=O)n2c3c(c4cc(F)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165555,7.49
+Cc1ccc(S(=O)(=O)n2c3c(c4cc(Cl)ccc42)CC(N(C)C)CC3)cc1,CHEMBL2165554,7.74
+Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CC(N(C)C)CC3)cc1,CHEMBL2165553,8.08
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2F)CCC(N(C)C)C1,CHEMBL2165552,8.44
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2F)C1,CHEMBL2165551,7.98
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2Cl)CCC(N(C)C)C1,CHEMBL2165550,8.33
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Cl)C1,CHEMBL2165549,8.04
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2Br)CCC(N(C)C)C1,CHEMBL2165548,8.37
+CN(C)C1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccccc2Br)C1,CHEMBL2165547,8.3
+CN(C)C1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2Br)C1,CHEMBL2165546,8.09
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Br)C1,CHEMBL2165545,8.55
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCC(N(C)C)C1,CHEMBL2165544,8.43
+CN(C)C1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2165543,7.91
+CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2165542,8.26
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CHEMBL2165541,8.72
+CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(Cl)c2)CCC(N(C)C)C1,CHEMBL2165540,8.57
+CN(C)C1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2165539,8.3
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)C1,CHEMBL2165538,8.38
+CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)cc2)CCC(N(C)C)C1,CHEMBL2165537,7.6
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)cc2)CCC(N(C)C)C1,CHEMBL2165536,7.61
+CN(C)C1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2165535,7.48
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL2448158,7.9
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Br)cc2)CCC(N(C)C)C1,CHEMBL2165533,7.82
+CN(C)C1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(Br)cc2)C1,CHEMBL2165532,7.36
+CN(C)C1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2ccc(Br)cc2)C1,CHEMBL2165531,7.39
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)C1,CHEMBL2165530,7.81
+CN(C)C1CCc2c(c3cc(F)cc(F)c3n2S(=O)(=O)c2ccccc2)C1,CHEMBL2165529,8.1
+CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CCC(N(C)C)C1,CHEMBL2165528,8.34
+COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CCC(N(C)C)C1,CHEMBL2165527,8.26
+CN(C)C1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C1,CHEMBL2165526,7.8
+CN(C)C1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1,CHEMBL2165525,7.79
+CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccccc2)C1,CHEMBL2165524,8.74
+CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2)C1,CHEMBL2165523,8.05
+COc1ccc2c(c1)c(CCN(C)C)c1n2S(=O)(=O)c2ccccc2-1,CHEMBL2165522,7.02
+NC1Cc2cccc3c2c(cn3S(=O)(=O)c2ccccc2)C1,CHEMBL2165520,8.8
+CNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCN(C)C3,CHEMBL2172193,9.18
+CSc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCN(C)C3,CHEMBL2172189,6.39
+CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CN(C)CC3,CHEMBL2172187,9.165
+CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccc(F)cc1)CN(C)CC3,CHEMBL2172184,7.45
+Cc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3,CHEMBL2172182,7.22
+CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCNC3,CHEMBL2172191,8.68
+CSc1nn2cc3c(nc2c1S(=O)(=O)c1ccc(F)cc1)CCN(C)C3,CHEMBL2172190,5.94
+CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CNCC3,CHEMBL2172185,8.72
+CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1,CHEMBL2181188,5.2
+Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,CHEMBL2204360,6.48
+Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCNCC4)cccc32)cc1,CHEMBL3216123,7.97
+O=S(=O)(c1ccccc1)n1ccc2c(CN3CCNCC3)cccc21,CHEMBL3216565,8.11
+O=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21,CHEMBL3215892,8.55
+CC(C)c1ccc(S(=O)(=O)n2cc(Br)c3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207367,6.56
+CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2207385,6.91
+CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL2207384,7.01
+CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2207383,7.12
+CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2ccccc2)CC1,CHEMBL2207382,7.52
+CN1CCN(Cc2cccc3c2c(Cl)cn3S(=O)(=O)c2ccccc2Br)CC1,CHEMBL2207381,7.04
+Cc1ccc(S(=O)(=O)n2cc(Cl)c3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207380,6.65
+CN1CCN(Cc2cccc3c2c(Cl)cn3S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL2207379,6.78
+CC(C)c1ccc(S(=O)(=O)n2cc(Cl)c3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207378,7.0
+CN1CCN(Cc2cccc3c2c(Cl)cn3S(=O)(=O)c2ccccc2)CC1,CHEMBL2207377,7.27
+CN1CCN(Cc2cccc3c2c(Cl)cn3S(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2207376,7.57
+COc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207375,7.54
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(Br)cc2)CC1,CHEMBL2207374,7.63
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc(Cl)c2)CC1,CHEMBL2207373,7.88
+CC(C)c1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207372,7.95
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL2207371,8.0
+COc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)c(Br)c1,CHEMBL2207768,8.07
+Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1,CHEMBL2207389,8.1
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL2207388,8.49
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL2207387,8.32
+CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2Br)CC1,CHEMBL2207386,8.84
+CCc1[nH]c2ccncc2c1CCN(C)C,CHEMBL2260379,5.54
+CCc1[nH]c2ccncc2c1CCN,CHEMBL2260378,5.31
+CN(C)CCc1c(-c2ccccc2)[nH]c2ccncc12,CHEMBL2260377,6.57
+NCCc1c(-c2ccccc2)[nH]c2ccncc12,CHEMBL2260376,5.59
+Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccncc12,CHEMBL2260375,7.39
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccncc12,CHEMBL2260374,7.08
+NCCc1c[nH]c2ccncc12,CHEMBL2260372,7.19
+CN(C)CCc1c[nH]c2ccncc12,CHEMBL2260373,7.0
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,CHEMBL2312640,6.66
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,CHEMBL2312639,6.34
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccnc12,CHEMBL2312638,6.22
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312637,6.52
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312937,6.32
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312936,6.26
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,CHEMBL2312935,5.88
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,CHEMBL2312934,6.59
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,CHEMBL2312642,6.49
+O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1,CHEMBL2312641,6.05
+CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL1259203,7.8
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377445,5.94
+COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377443,6.58
+COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)CC3)c2c1,CHEMBL2377591,6.8
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL2377590,7.2
+CC(N)Cc1c[nH]c2ccccc12,CHEMBL30713,6.04
+O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL241115,5.0
+CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1,CHEMBL240045,5.92
+COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1,CHEMBL2401935,5.23
+COc1ccc2c(=O)c3cc(CN4CCN(c5ccccc5OC)CC4)ccc3oc2c1,CHEMBL2401934,4.87
+COc1ccc2c(=O)c3cc(CN4CCN(Cc5ccccc5)CC4)ccc3oc2c1,CHEMBL3217036,5.05
+COc1ccc2c(=O)c3cc(CN4CCN(C)CC4)ccc3oc2c1,CHEMBL3215930,4.72
+COc1ccc2c(=O)c3cccc(CN4CCN(c5ccccc5OC)CC4)c3oc2c1,CHEMBL2401931,5.03
+O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12,CHEMBL3216145,4.84
+CN1CCN(Cc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1,CHEMBL3215698,4.71
+CN(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413988,7.52
+Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1Cl)CCO2,CHEMBL2413982,9.7
+CC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413991,8.08
+CNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413990,9.8
+Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413989,8.78
+CNc1cc(-c2ccccc2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413987,6.82
+CNc1cc(-c2cccnc2)ccc1S(=O)(=O)c1ccccc1,CHEMBL2413986,7.32
+CNc1ccccc1S(=O)(=O)c1ccccc1,CHEMBL2413985,7.61
+Nc1ccccc1S(=O)(=O)c1ccccc1,CHEMBL2009408,6.31
+Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1,CHEMBL1581846,6.25
+Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL1043,6.74
+COc1ccccc1S(=O)(=O)c1ccccc1,CHEMBL2413984,6.06
+CN(C)c1ccccc1S(=O)(=O)c1ccccc1,CHEMBL2413983,5.69
+O=S(=O)(c1ccccc1)c1ccccc1,CHEMBL263327,5.8
+O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1,CHEMBL2424668,6.73
+CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O,CHEMBL404232,5.06
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058426,5.12
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058429,5.14
+CNC1=N/C(=C\c2c[nH]c3cccc(Br)c23)C(=O)N1,CHEMBL2058703,5.43
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C,CHEMBL2058418,5.64
+C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C,CHEMBL512332,5.77
+C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C,CHEMBL2058415,5.85
+NC1=N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1,CHEMBL2442274,5.85
+CNC1=N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2058704,6.07
+NC1=N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1,CHEMBL2442272,6.13
+Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,CHEMBL2441619,5.9
+CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,CHEMBL3104092,6.56
+CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,CHEMBL3104091,6.81
+CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,CHEMBL3217984,7.8
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21,CHEMBL246484,6.2
+Cc1nc2c(o1)CC(CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O,CHEMBL3220215,6.67
+O=C1CC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21,CHEMBL3220219,6.45
+CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL1916746,4.69
+COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL1916745,4.54
+COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL2079256,5.45
+CCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1,CHEMBL3233401,5.38
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O,CHEMBL3233402,5.51
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O,CHEMBL3233665,5.02
+CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O,CHEMBL3233666,4.59
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1,CHEMBL3233667,4.83
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2)CC1,CHEMBL3233668,5.36
+COc1ccccc1N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1,CHEMBL3233669,5.06
+COc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1,CHEMBL3233670,5.53
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1,CHEMBL3233671,5.6
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233672,5.71
+CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233673,5.13
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2F)CC1,CHEMBL3233674,5.09
+CC1(C)C(=O)N(Cc2ccc(F)cc2)C(=O)N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3233675,5.75
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL3233676,6.4
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3233677,6.5
+CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3233678,5.54
+COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1,CHEMBL3233679,4.97
+O=C1CSC2(C(=O)Nc3ccccc32)N1c1ccccc1,CHEMBL3260784,5.24
+COc1cc(OC)cc(N2C(=O)CSC23C(=O)Nc2ccccc23)c1,CHEMBL1733660,7.06
+O=C1CC(c2ccccc2)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260785,7.27
+O=C1CC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260786,7.0
+Clc1ccccc1C1CCN(c2ccc3c(c2)CCNCC3)C1,CHEMBL3260787,6.19
+O=C1CC(c2ccccc2)CN1c1ccc2c(c1)CCCNC2,CHEMBL3260788,5.92
+O=C1CC(c2ccccc2)CN1c1ccc2c(c1)CNCC2,CHEMBL3260789,6.85
+O=C1CC(c2ccccc2)CN1c1cccc(C2CCNCC2)c1,CHEMBL3260790,7.15
+O=C1CC(c2ccccc2)CN1c1cccc(N2CCNCC2)c1,CHEMBL3260791,7.08
+O=C1CC(c2ccccc2)CN1c1cccc(N2CCNCC2)n1,CHEMBL3260792,7.32
+O=C1CC(c2ccccc2)CN1c1cncc(N2CCNCC2)c1,CHEMBL3260793,5.39
+O=C1CC(c2ccccc2)CN1c1cnc2c(N3CCNCC3)cccc2c1,CHEMBL3260795,8.59
+O=C1CC(c2ccccc2)CN1c1ccc2c(N3CCNCC3)ccnc2c1,CHEMBL3260796,7.26
+O=C1CCCN1c1cnc2c(N3CCNCC3)cccc2c1,CHEMBL3260797,5.31
+O=C1CC(c2ccccc2)CN1c1cnc2c(N3CCCNCC3)cccc2c1,CHEMBL3260798,8.0
+O=C1OC(c2ccccc2)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260799,7.8
+O=C1OC(c2ccccc2F)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260800,7.82
+O=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260801,7.33
+COc1ccccc1C1CN(c2ccc3c(c2)CCNCC3)C(=O)O1,CHEMBL3260802,7.06
+O=C1OC(c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2,CHEMBL3260803,8.0
+O=C1OC(c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1,CHEMBL3260804,6.62
+O=C1OC(c2ccccc2Cl)CN1c1cccc(N2CCNCC2)c1,CHEMBL3260805,6.85
+O=C1OC(c2ccccc2Cl)CN1c1ccc(N2CCNCC2)cc1,CHEMBL3260806,5.72
+O=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CNCC2,CHEMBL3260807,6.82
+O=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2,CHEMBL3260808,6.48
+CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1,CHEMBL3260311,9.66
+CN1CCN(c2cccc3cc(S(=O)(=O)c4cccc(F)c4)cnc23)CC1,CHEMBL3260313,9.47
+Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1,CHEMBL3260334,7.33
+Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1,CHEMBL3286580,9.08
+O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286581,8.05
+Cc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286399,7.68
+Cc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)c1,CHEMBL3286582,7.62
+Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)cc1,CHEMBL3286583,7.02
+O=S(=O)(c1cccc(F)c1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286585,9.12
+O=S(=O)(c1ccc(F)cc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286586,7.54
+O=S(=O)(C1=CC=C=C=C1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286588,7.33
+O=S(=O)(c1ccc(Cl)cc1)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286589,6.74
+COc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2,CHEMBL3286590,7.59
+COc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)c1,CHEMBL3286591,7.62
+COc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNCC2C3)cc1,CHEMBL3286592,6.77
+CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,CHEMBL12314,6.11
+Cc1cccc(S(=O)(=O)NCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289708,6.37
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289709,7.66
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1,CHEMBL3289944,7.0
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289945,7.82
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289946,7.15
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289947,8.29
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3286432,7.28
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289948,7.25
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289949,7.33
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289950,6.85
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1,CHEMBL3289951,7.38
+O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289952,6.17
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289953,7.4
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289954,8.3
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289955,7.0
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289956,7.21
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289957,7.2
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289958,7.48
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289959,6.96
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289960,7.35
+Cc1c(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289961,6.92
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289962,7.27
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289963,7.08
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289964,6.85
+O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289965,7.57
+O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12,CHEMBL3289966,6.92
+Cc1cccc(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289967,5.82
+Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,CHEMBL3289968,7.06
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289969,5.96
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289970,7.54
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289971,6.48
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289972,7.57
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289973,5.66
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289974,5.32
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,CHEMBL3289976,5.28
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289977,5.8
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1,CHEMBL3289978,8.21
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289979,5.64
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3289980,7.74
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289981,7.46
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1,CHEMBL3289982,5.96
+O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289983,6.25
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3289984,7.34
+Cc1c(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12,CHEMBL3289986,7.77
+O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cnc2ccccn12,CHEMBL3289987,7.02
+Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289990,6.68
+Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289991,7.89
+Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1,CHEMBL3289992,6.85
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289993,8.15
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL3289994,7.59
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289995,8.8
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(Cl)c1,CHEMBL3289996,7.32
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289997,7.46
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(OC(F)(F)F)cc1,CHEMBL3289998,7.64
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3289999,7.18
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1,CHEMBL3290000,6.89
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290001,6.6
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290002,7.08
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2ccccc12,CHEMBL3290003,8.06
+O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290004,6.88
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290005,7.49
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1,CHEMBL3290006,8.62
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290007,7.59
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2cc(Cl)ccc2c1,CHEMBL3290008,8.62
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290009,7.89
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1csc2ccccc12,CHEMBL3290010,7.89
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290011,7.4
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,CHEMBL3290012,8.29
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290013,7.36
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccc(Cl)cc2s1,CHEMBL3290014,8.48
+Cc1c(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290015,7.6
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12,CHEMBL3290016,8.47
+Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(Cl)cc12,CHEMBL3290017,8.74
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290018,7.0
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cnc2ccccn12,CHEMBL3290019,7.0
+O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290020,7.64
+O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccc2scnc12,CHEMBL3290021,7.15
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361005,6.68
+Cn1c(=O)c2c(ncn2CCCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361004,5.04
+Cn1c(=O)c2c(ncn2CCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361003,4.93
+Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361002,4.91
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361001,5.92
+COc1ccccc1N1CCN(CCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3361000,5.05
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360999,4.99
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O,CHEMBL3360998,5.72
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n(C)c1=O,CHEMBL3360997,7.17
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360996,5.29
+COc1ccccc1N1CCN(CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360995,5.71
+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360994,4.85
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360993,4.69
+COc1ccccc1N1CCN(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360992,4.92
+Cn1c(=O)c2c(ncn2CCCN2CCN(c3ccccc3)CC2)n(C)c1=O,CHEMBL3360991,4.7
+COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326993,5.88
+COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,CHEMBL3326982,5.82
+CN1CCc2ccc(N3C(=O)CSC34C(=O)Nc3ccccc34)cc2CC1,CHEMBL3323289,7.705
+CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1,CHEMBL1201756,9.6
+CC(Nc1ccc2c(c1)CCNCC2)c1ccccc1Cl,CHEMBL3329455,7.85
+Clc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1,CHEMBL3329454,8.0
+O=c1[nH]c2c(N3CCNCC3)cccc2n1Cc1ccccc1,CHEMBL3329453,9.52
+O=C1c2cccc(N3CCNCC3)c2Oc2ccc(F)cc2N1Cc1cccc(C(F)(F)F)c1,CHEMBL3329452,9.52
+O=C1COc2c(N3CCNCC3)cccc2N1Cc1ccccc1,CHEMBL3329451,9.7
+COc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1,CHEMBL3329450,9.05
+COc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1,CHEMBL3329449,9.0
+OCCCNC[C@H]1CCc2ccc(OCc3ccccc3)cc2O1,CHEMBL3329448,8.05
+NCCOc1cccc2c1c1cccc3c1n2[C@H](c1ccccc1)CO3,CHEMBL3329447,8.74
+CN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12,CHEMBL3329446,9.03
+COc1cc(Cl)cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC,CHEMBL3329445,8.4
+N=C(N)CCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21,CHEMBL3329444,7.23
+O=S(=O)(c1ccccc1)c1ccc(C2CCNCC2)c2ccccc12,CHEMBL3329443,8.42
+CNC[C@@H]1COc2ccc(S(=O)(=O)c3ccccc3)cc2O1,CHEMBL3329442,9.7
+O=S(=O)(c1ccccc1)c1ccc2c(c1)OCCC2N1CCNCC1,CHEMBL3329441,9.4
+O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccccc1,CHEMBL3329440,9.0
+COc1ccc(C)cc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1,CHEMBL3329439,8.92
+O=S(=O)(c1cccc(Cl)c1Cl)N1CCc2c(cccc2N2CCNCC2)C1,CHEMBL3329438,10.4
+O=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1,CHEMBL3329437,8.24
+CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2sccc12,CHEMBL3329436,8.92
+Cc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1,CHEMBL3329435,9.28
+CN(C)CCCOc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,CHEMBL2103880,8.89
+CSc1nn2c(N3CCNCC3)nc(C)nc2c1S(=O)(=O)c1ccccc1,CHEMBL3329434,8.92
+Cc1cc(C)cc(S(=O)(=O)c2ccc3ccnc(N4CCNCC4)c3c2)c1,CHEMBL3329433,7.96
+CN1CCC(c2cn(C)c3cc(OS(=O)(=O)c4c(F)cccc4F)ccc23)CC1,CHEMBL3329432,9.0
+O=S(=O)(c1cccc(F)c1)c1c[nH]c2c(OCCN3CCCC3)cccc12,CHEMBL3329431,7.7
+O=S(=O)(c1cc2cccc(N3CCNCC3)c2[nH]1)c1cccc(Cl)c1Cl,CHEMBL3329430,9.7
+CN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1,CHEMBL3329429,9.3
+O=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL3329428,6.93
+O=C(c1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21,CHEMBL3329427,7.0
+Fc1ccc2c(c1)c(C1=CCNCC1)cn2Cc1ccccc1,CHEMBL3329426,8.0
+COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@H](N(C)C)C2,CHEMBL3329425,8.77
+O=S(=O)(Nc1ccc2c(c1)CNCCC2)c1csc(C(F)(F)F)c1-c1ccccc1,CHEMBL3329424,7.49
+Cc1c(S(=O)(=O)Nc2cc3c(c(N4CCN(C)CC4)c2)OCC3)sc2ccc(Cl)cc12,CHEMBL3331585,8.8
+COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCNCC1,CHEMBL191429,8.64
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,CHEMBL1580288,6.87
+O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CHEMBL2011865,6.155
+O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(Br)s1,CHEMBL3403330,4.92
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1,CHEMBL1319488,5.1
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1,CHEMBL1576791,4.81
+Cc1ccc(S(=O)(=O)c2nc(N3CCc4ccccc4C3)sc2Cl)cc1,CHEMBL3403331,5.93
+O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1,CHEMBL3403332,5.01
+O=S(=O)(c1ccc(F)cc1)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12,CHEMBL3403333,5.23
+Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12,CHEMBL3403334,5.19
+O=S(=O)(c1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12,CHEMBL3403335,5.51
+Brc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)C3CCC1,CHEMBL3403336,4.9
+Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccc(Cl)cc32)cc1,CHEMBL3403337,5.49
+O=S(=O)(Nc1ccccc1-c1nccc2ccccc12)c1ccc(Cl)cc1,CHEMBL3403338,5.24
+O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2F)c2ccccc21,CHEMBL1323386,4.88
+O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1,CHEMBL3403339,4.7
+COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1,CHEMBL3403340,4.78
+Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1,CHEMBL3403341,5.8
+NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1,CHEMBL3403342,5.25
+Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2SCc2ccc(Cl)cc2)cc1,CHEMBL3403343,5.19
+COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N,CHEMBL3403344,5.53
+Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12,CHEMBL3403345,4.94
+CN(C)CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21,CHEMBL3410504,7.0
+CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1,CHEMBL3235744,6.55
+NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1,CHEMBL3409035,6.23
+CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1,CHEMBL3409037,6.22
+O=C([C@@H]1CCCN1C(=O)CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCCCC1,CHEMBL3409039,6.42
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccc(F)cc4)CC3)cccc21,CHEMBL3409263,8.16
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccc(F)cc4)CC3)cccc21,CHEMBL3409262,8.27
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccccc4)CC3)cccc21,CHEMBL3409261,7.8
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccccc4)CC3)cccc21,CHEMBL3409260,8.12
+CC(C)Oc1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409259,7.96
+CC(C)Oc1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409258,8.77
+NC(=O)c1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409257,8.55
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,CHEMBL3409256,9.0
+O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCOc4ccc5ccoc5c4)CC3)cccc21,CHEMBL3409255,8.42
+O=C1CCc2ccc(OCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1,CHEMBL3409254,8.64
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2cccc(Cl)c2)CC1,CHEMBL3409253,7.9
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1,CHEMBL3409252,7.08
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2cccc(F)c2)CC1,CHEMBL3409251,8.0
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1,CHEMBL3409250,7.64
+NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1,CHEMBL3409249,7.62
+NC(=O)c1ccccc1OCCCNCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CHEMBL3409248,7.21
+NC(=O)c1ccccc1OCCCNCCc1cn(Cc2ccccc2)c2ccccc12,CHEMBL3409247,6.17
+NC(=O)c1ccccc1OCCCN1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL3409246,7.24
+NC(=O)c1ccccc1OCCCN1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL3409245,6.31
+NC(=O)c1ccccc1OCCCN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1,CHEMBL3409244,7.48
+NC(=O)c1ccccc1OCCCN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1,CHEMBL3409243,6.23
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cc2N1,CHEMBL3409242,8.14
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccc(F)cc4)CC3)cc2N1,CHEMBL3409241,7.0
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(F)c4)CC3)cc2N1,CHEMBL3409240,7.7
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4F)CC3)cc2N1,CHEMBL3409239,7.35
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1,CHEMBL3409238,9.4
+O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4)CC3)cc2N1,CHEMBL3409237,7.89
+O=C1CCc2ccc(OCCCCNCCc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2N1,CHEMBL3409236,7.28
+O=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1,CHEMBL3409235,6.82
+O=C1CCc2ccc(OCCCCN3CCC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3407518,6.85
+O=C1CCc2ccc(OCCCCN3CCC(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409234,6.82
+O=C1CCc2ccc(OCCCCN3CC=C(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409233,7.28
+O=C1CCc2ccc(OCCCCN3CC=C(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1,CHEMBL3409232,7.66
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)ccn23)n(C)c1=O,CHEMBL3423334,5.8
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423335,5.84
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3423336,6.08
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423337,6.35
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O,CHEMBL3423338,7.35
+Cc1cccc(N2CCN(CCCCn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)c1C,CHEMBL3423339,6.29
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL3423340,6.39
+Cn1c(=O)c2c(nc3n(CCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423378,7.07
+Cn1c(=O)c2c(nc3n(CCCCCN4CCN(c5ccc(Cl)cc5)CC4)c(=O)ccn23)n(C)c1=O,CHEMBL3423379,6.08
+COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,CHEMBL464099,6.51
+COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4,CHEMBL3608450,6.2
+Cc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CNCC3,CHEMBL3659968,8.67
+CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CNCC3,CHEMBL3659969,8.11
+CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1)CNCC3,CHEMBL3659970,7.95
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(C#N)cc4)ccc31)C1CCC(C2)N1,CHEMBL3664727,6.287000000000001
+COc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)cc1,CHEMBL3664728,7.36
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(O)cc4)ccc31)C1CCC(C2)N1,CHEMBL3664729,7.96
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(CN)cc4)ccc31)C1CCC(C2)N1,CHEMBL3664730,7.82
+CN(C)Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)cc1,CHEMBL3664731,8.32
+Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664732,8.43
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)C1CCC(C2)N1,CHEMBL3664733,8.24
+COc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664734,7.77
+[C-]#[N+]c1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664735,7.46
+CN(C)c1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664736,7.85
+CNc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664737,8.19
+CC(C)Nc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664738,7.96
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(NC5CCCC5)c4)ccc31)C1CCC(C2)N1,CHEMBL3664739,8.7
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL3664740,8.85
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)C1CCC(C2)N1,CHEMBL3664741,7.43
+Cc1ccccc1S(=O)(=O)c1ccc2c(c1)c1c(n2C)CC2CCC1N2,CHEMBL3664742,7.96
+Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)C1CCC(C2)N1,CHEMBL3664743,7.89
+Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)C1CCC(C2)N1,CHEMBL3664744,8.0
+Cn1c2c(c3cc(S(=O)(=O)c4cc(F)cc(F)c4)ccc31)C1CCC(C2)N1,CHEMBL3664745,8.07
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccccc5)c4)ccc31)C1CCC(C2)N1,CHEMBL3664746,8.59
+Cn1c2c(c3cc(S(=O)(=O)c4cncc(Cl)c4)ccc31)C1CCC(C2)N1,CHEMBL3664747,7.36
+Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)C1CCC(C2)N1,CHEMBL3664748,6.86
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5cc(F)ccc54)ccc31)C1CCC(C2)N1,CHEMBL3664749,8.84
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5c(F)cccc54)ccc31)C1CCC(C2)N1,CHEMBL3664750,8.25
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)C1CCC(C2)N1,CHEMBL3664751,9.163
+COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664752,7.74
+Cn1c2c(c3cc(S(=O)(=O)n4cc(Cl)c5ccccc54)ccc31)C1CCC(C2)N1,CHEMBL3664753,8.39
+Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12,CHEMBL3664754,8.97
+CN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2,CHEMBL3664755,8.09
+Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664756,8.48
+Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3639636,8.09
+Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664757,8.52
+Cc1cccc(S(=O)(=O)c2cc(C)c3c(c2)c2c(n3C)CC3CCC2N3)c1,CHEMBL3664758,8.15
+Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664759,8.44
+Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664760,8.16
+Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664761,8.31
+Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664762,6.1
+Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664763,8.853
+CCc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664764,7.77
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)C1CCC(C2)N1,CHEMBL3664765,7.89
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(Cl)c31)C1CCC(C2)N1,CHEMBL3664766,7.66
+CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3664769,7.85
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)C1CCC(C2)N1,CHEMBL3664770,7.85
+O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)CC2CCC1N2,CHEMBL3664771,6.46
+O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)CC2CCC1N2,CHEMBL3664772,6.36
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)C1CCCC(C2)N1,CHEMBL3664773,6.82
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5cc[nH]c5c4)ccc31)C1CCC(C2)N1,CHEMBL3664774,8.24
+Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1,CHEMBL3664775,6.47
+Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)C1CCC(C2)N1,CHEMBL3664776,6.98
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5cc[nH]c45)ccc31)C1CCC(C2)N1,CHEMBL3664777,8.35
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5[nH]ccc45)ccc31)C1CCC(C2)N1,CHEMBL3664778,8.92
+Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)C1CCC(C2)N1,CHEMBL3664779,8.54
+Cn1c2c(c3cc(S(=O)(=O)c4cn(Cc5ccccc5)c5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL3664780,9.15
+Cn1c2c(c3cc(S(=O)(=O)c4cn(-c5ccccc5)c5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL3664781,8.03
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)C1CCC(C2)N1,CHEMBL3664782,8.3
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)C1CCC(C2)N1,CHEMBL3664783,7.0
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)C1CCC(C2)N1,CHEMBL3664784,8.37
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)C1CCC(C2)N1,CHEMBL3664785,7.11
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)C1CCC(C2)N1,CHEMBL3664786,7.82
+CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc21,CHEMBL3664787,9.14
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)C1CCC(C2)N1,CHEMBL3664788,6.83
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5cnccc45)ccc31)C1CCC(C2)N1,CHEMBL3664789,7.66
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)C1CCC(C2)N1,CHEMBL3664790,7.66
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)C1CCC(C2)N1,CHEMBL3664791,7.7
+CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21,CHEMBL3664792,8.36
+CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21,CHEMBL3664793,8.117
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)C1CCC(C2)N1,CHEMBL3664794,6.64
+COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21,CHEMBL3664795,7.19
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)ccc31)C1CCC(C2)N1,CHEMBL3669637,8.72
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5ccncc5)c4)ccc31)C1CCC(C2)N1,CHEMBL3669638,7.32
+Cn1c2c(c3cc(S(=O)(=O)c4cc(C(F)(F)F)c5[nH]ccc5c4)ccc31)C1CCC(C2)N1,CHEMBL3669639,9.33
+Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)C1CCC(C2)N1,CHEMBL3669640,9.48
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)C1CCC(C2)N1,CHEMBL3669641,6.61
+Cc1cc2ccccc2n1S(=O)(=O)c1ccc2c(c1)c1c(n2C)CC2CCC1N2,CHEMBL3669642,8.14
+[C-]#[N+]c1ccc2ccn(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)c2c1,CHEMBL3669643,8.892999999999999
+Cn1c2c(c3cc(S(=O)(=O)n4c5c(c6ccccc64)CCC5)ccc31)C1CCC(C2)N1,CHEMBL3669644,7.62
+Cn1c2c(c3cc(S(=O)(=O)n4cc(F)c5ccccc54)ccc31)C1CCC(C2)N1,CHEMBL3669645,8.57
+Cn1c2c(c3cc(S(=O)(=O)c4cncc5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL3669646,8.53
+Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccncc45)ccc31)C1CCC(C2)N1,CHEMBL3669647,7.89
+Cn1c2c(c3cc(S(=O)(=O)c4ccnc5ccccc45)ccc31)C1CCC(C2)N1,CHEMBL3669648,7.41
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)C1CCC(C2)N1,CHEMBL3669649,7.96
+CN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2,CHEMBL3669650,9.477
+CC(C)N1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2,CHEMBL3669651,8.49
+COCCN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2,CHEMBL3669652,8.85
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)C1CCC(C2)N1Cc1ccccc1,CHEMBL3669653,8.92
+Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)C1CCC(C2)N1CCO,CHEMBL3669654,8.92
+Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)cc(F)c31)C1CCC(C2)N1,CHEMBL3669655,9.33
+Cc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669656,9.25
+Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669657,9.54
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(C#N)c31)C1CCC(C2)N1,CHEMBL3669658,6.94
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(O)c31)C1CCC(C2)N1,CHEMBL3669659,8.443
+COc1cc(S(=O)(=O)c2cncc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669660,7.68
+COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669661,9.51
+COc1cc(S(=O)(=O)c2cccc(O)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669662,8.64
+COc1cc(S(=O)(=O)c2cccc(OCc3ccccc3)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669663,8.85
+COc1cc(S(=O)(=O)n2ncc3ccccc32)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669664,8.89
+[C-]#[N+]c1cn(S(=O)(=O)c2cc(OC)c3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12,CHEMBL3669665,8.92
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OC(F)(F)F)c31)C1CCC(C2)N1,CHEMBL3669666,7.15
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCCO)c31)C1CCC(C2)N1,CHEMBL3669667,7.36
+COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669668,7.977
+CN(C)C(=O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669669,6.24
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccn4)c31)C1CCC(C2)N1,CHEMBL3669670,7.1
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4cccnc4)c31)C1CCC(C2)N1,CHEMBL3669671,6.89
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(N4CCCC4)c31)C1CCC(C2)N1,CHEMBL3669672,7.28
+CCN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2,CHEMBL3669673,8.965
+Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(Cl)cc54)ccc31)C1CCC(C2)N1,CHEMBL3669674,9.185
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(F)c4)cc(O)c31)C1CCC(C2)N1,CHEMBL3669676,8.77
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)cc(O)c31)C1CCC(C2)N1,CHEMBL3669677,9.1
+Cn1c2c(c3cc(S(=O)(=O)c4ccccc4F)cc(O)c31)C1CCC(C2)N1,CHEMBL3669679,8.9
+COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669680,8.52
+COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669684,8.81
+COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1C,CHEMBL3669685,9.14
+COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1C,CHEMBL3669686,9.17
+COc1cc(S(=O)(=O)c2cncc3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669688,8.225
+COc1cc(S(=O)(=O)n2ccc3ccc(F)cc32)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669689,9.22
+COc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)CC1CCC3N1,CHEMBL3669690,9.265
+Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)C1CCC(C2)N1,CHEMBL3669692,7.95
+CN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692840,8.19
+O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692841,7.72
+O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692842,7.8
+O=S(=O)(c1cccc(Cl)c1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692843,8.21
+O=S(=O)(c1ccc(F)cc1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692844,7.37
+O=S(=O)(c1ccc(Cl)cc1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692845,7.42
+O=S(=O)(c1ccc(CO)cc1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692846,7.0
+[C-]#[N+]c1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1,CHEMBL3692847,5.88
+Cc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1,CHEMBL3692848,7.42
+Nc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1,CHEMBL3692849,7.4
+O=S(=O)(c1cc(F)cc(F)c1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692850,6.47
+O=S(=O)(c1cc(Cl)cc(Cl)c1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692851,7.77
+O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)c1cccc2ccccc12,CHEMBL3692852,8.3
+O=S(=O)(c1ccc2ccccc2c1)c1ccc2oc3c(c2c1)CNCC3,CHEMBL3692853,7.68
+O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)n1ccc2ccccc21,CHEMBL3692854,9.24
+O=S(=O)(c1ccc2oc3c(c2c1)CNCC3)n1ccc2ccc(F)cc21,CHEMBL3692855,8.82
+Cc1cn(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)c2ccccc12,CHEMBL3692856,9.38
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692857,9.26
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692858,9.32
+O=S(=O)(c1cccc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692859,9.46
+O=S(=O)(c1cccc(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692860,9.41
+[C-]#[N+]c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692861,7.92
+O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692862,8.72
+Cn1cc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c2ccccc21,CHEMBL3692863,9.77
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)n1ccc2ccccc21,CHEMBL3692864,9.7
+O=S(=O)(c1ccccc1)c1cc(F)c2oc3c(c2c1)CNCC3,CHEMBL3692865,8.29
+Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692866,9.66
+COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692867,9.92
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2oc3c(c2c1)C1CCC(C3)N1,CHEMBL3692868,7.28
+O=S(=O)(c1cccc(Cl)c1)c1ccc2oc3c(c2c1)C1CCC(C3)N1,CHEMBL3692869,7.51
+O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)C1CCC(C3)N1,CHEMBL3692870,6.88
+Cc1cn(S(=O)(=O)c2ccc3oc4c(c3c2)C2CCC(C4)N2)c2ccccc12,CHEMBL3692871,7.8
+O=S(=O)(c1ccc2oc3c(c2c1)C1CCC(C3)N1)n1ccc2ccc(F)cc21,CHEMBL3692872,7.77
+O=S(=O)(c1ccccc1)c1ccc2c3c(oc2c1)CCNC3,CHEMBL3639917,8.01
+CN1CCc2oc3cc(S(=O)(=O)c4ccccc4)ccc3c2C1,CHEMBL3692873,7.74
+O=S(=O)(c1cccc(Cl)c1)c1ccc2c3c(oc2c1)CCNC3,CHEMBL3692874,8.77
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c3c(oc2c1)CCNC3,CHEMBL3692875,8.68
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c3c(oc2c1)CC1CCC3N1,CHEMBL3692876,6.94
+O=S(=O)(c1cccc(Cl)c1)c1ccc2c3c(oc2c1)CC1CCC3N1,CHEMBL3692877,6.81
+O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)CC1CCC3N1,CHEMBL3692878,6.27
+O=S(=O)(c1ccc2c3c(oc2c1)CC1CCC3N1)n1ccc2ccccc21,CHEMBL3692879,7.47
+O=S(=O)(c1ccccc1)c1ccc2c3c(oc2c1)CCCNC3,CHEMBL3692880,6.88
+O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CNCCC3,CHEMBL3692881,6.24
+COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(oc12)CCNC3,CHEMBL3692882,10.08
+O=S(=O)(c1cccc(C2CCOC2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692883,8.7
+O=S(=O)(c1ccc(CO)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692884,7.92
+N#Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692885,8.37
+O=S(=O)(c1ccccc1)c1cc(CO)c2oc3c(c2c1)CNCC3,CHEMBL3692886,7.89
+O=S(=O)(c1ccccc1)c1cc(Cn2cccn2)c2oc3c(c2c1)CNCC3,CHEMBL3692887,6.91
+O=S(=O)(c1ccccc1)c1cc(-n2cccn2)c2oc3c(c2c1)CNCC3,CHEMBL3692888,8.03
+O=S(=O)(c1ccccc1)c1cc(-c2cn[nH]c2)c2oc3c(c2c1)CNCC3,CHEMBL3692889,7.55
+CNC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692890,6.22
+O=S(=O)(c1ccccc1)c1cc(CCO)c2oc3c(c2c1)CNCC3,CHEMBL3692891,8.37
+CC(O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692892,7.72
+CC1Cc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CN1,CHEMBL3692893,7.707000000000001
+CC1(C)NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21,CHEMBL3692895,7.57
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C(CO)NCC3,CHEMBL3692896,8.8
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNC(CO)C3,CHEMBL3692897,6.28
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C(CF)NCC3,CHEMBL3692898,8.4
+CN(C)C(=O)C1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21,CHEMBL3692899,6.6
+CC1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21,CHEMBL3692900,6.96
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CCNCC3,CHEMBL3692901,9.6
+Clc1cc(Sc2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692902,7.92
+COc1cc(Oc2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692903,6.19
+OC(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692905,6.84
+CC(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692906,8.12
+COc1cc(Cc2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3692907,8.31
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1Cl,CHEMBL3692909,9.11
+O=S(=O)(c1ccc2[nH]ccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692910,9.89
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1OC(F)(F)F,CHEMBL3692911,8.48
+O=S(=O)(c1cccc(-n2cccn2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692912,8.66
+O=S(=O)(c1ccc(-n2cccn2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692913,7.59
+O=S(=O)(c1ccc2c(c1)COCC2)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692914,7.89
+O=S(=O)(c1ccc2c(c1)CCOC2)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692915,8.6
+CC(C)(O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692916,9.1
+CC(C)(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,CHEMBL3692917,8.89
+COCc1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,CHEMBL3692918,7.85
+O=S(=O)(c1cccc(CO)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692919,8.36
+O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692920,8.48
+O=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692921,8.31
+O=S(=O)(c1ccc(OC(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692922,8.66
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(CCC(F)(F)F)CC3,CHEMBL3692923,7.72
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(c1cccnc1)CC3,CHEMBL3692924,6.91
+CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692925,9.0
+CCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692926,8.92
+O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(F)c2oc3c(c2c1)CNCC3,CHEMBL3692927,8.23
+O=S(=O)(c1cncc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692928,7.7
+O=S(=O)(c1cccnc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692929,7.59
+O=S(=O)(c1cncc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692930,7.54
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1CO,CHEMBL3692931,8.27
+COc1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692932,8.92
+Cn1ncc2cc(S(=O)(=O)c3cc(Cl)c4oc5c(c4c3)CNCC5)ccc21,CHEMBL3692933,7.43
+O=S(=O)(c1cc(F)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692934,8.64
+O=S(=O)(c1ccc(C2CCO2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692935,8.0
+O=S(=O)(c1ccc(F)c(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692936,8.4
+O=S(=O)(c1ccc(F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692937,8.52
+O=S(=O)(c1cc(F)cc(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692938,8.0
+O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692939,8.22
+O=S(=O)(c1ccc(C(O)C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692940,8.12
+O=S(=O)(c1cccc(C(O)C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692941,8.48
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1csc2ccccc12,CHEMBL3692942,9.59
+O=S(=O)(c1ccc2sccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692943,9.26
+CC(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692944,7.7
+CC(O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692945,8.52
+CC(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,CHEMBL3692946,8.25
+C[C@H](O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692947,8.29
+C[C@@H](O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692948,8.57
+C[C@H](O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,CHEMBL3692949,7.8
+C[C@@H](O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,CHEMBL3692950,8.51
+CC(C)(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692951,7.6
+CS(=O)(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692952,6.31
+CN(C)CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692953,7.18
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(CCO)CC3,CHEMBL3692954,8.8
+CC(C)(O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692955,8.92
+CN(C)C(=O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692956,7.35
+COCCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692957,8.8
+O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(C1COC1)CC3,CHEMBL3692958,7.12
+CC(O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692959,8.77
+CC(CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3692960,8.47
+O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1C(F)(F)F,CHEMBL3692961,8.21
+O=S(=O)(c1ccc(C2CCOC2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692962,8.25
+CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4cn(C)c5ccccc45)cc3c2C1,CHEMBL3692963,6.78
+O=S(=O)(c1ccc2c(c1)COC2)c1cc(Cl)c2oc3c(c2c1)CNCC3,CHEMBL3692964,8.12
+C=C(C)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,CHEMBL3692965,9.18
+COc1cc(S(=O)(=O)c2ccc3c(c2)CCOC3)cc2c3c(oc12)CCNC3,CHEMBL3692966,9.32
+COc1cc(S(=O)(=O)c2ccccc2CO)cc2c3c(oc12)CCNC3,CHEMBL3692967,8.82
+COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692968,9.96
+COc1cc(S(=O)(=O)c2ccc(F)c(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692969,9.49
+COc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692970,9.31
+COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3,CHEMBL3692971,9.72
+COc1cc(S(=O)(=O)c2ccc(OC(F)F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3639918,9.4
+COc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692972,8.72
+COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692973,9.7
+COc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692974,9.89
+COc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692975,9.72
+COc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692976,9.12
+COc1cc(S(=O)(=O)c2ccc(C(C)O)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692977,8.54
+COc1cc(S(=O)(=O)c2ccc([C@H](C)O)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692978,8.07
+COc1cc(S(=O)(=O)c2ccc([C@@H](C)O)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692979,8.72
+COc1cc(S(=O)(=O)c2cccc(C(C)O)c2)cc2c3c(oc12)CCNC3,CHEMBL3692980,9.22
+COc1cc(S(=O)(=O)c2cccc([C@@H](C)O)c2)cc2c3c(oc12)CCNC3,CHEMBL3692981,9.16
+COc1cc(S(=O)(=O)c2cccc([C@H](C)O)c2)cc2c3c(oc12)CCNC3,CHEMBL3692982,8.92
+COc1cc(S(=O)(=O)c2ccc(C(C)(C)O)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692983,9.13
+COc1cc(S(=O)(=O)c2cccc(C(C)(C)O)c2)cc2c3c(oc12)CCNC3,CHEMBL3692984,9.46
+COc1cc(S(=O)(=O)c2cccc(C(O)C(F)(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692985,9.49
+COc1cc(S(=O)(=O)c2cccc(C3CCOC3)c2)cc2c3c(oc12)CCNC3,CHEMBL3692986,9.38
+COc1cc(S(=O)(=O)c2ccc(C3CCOC3)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692987,8.66
+COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(oc12)CCNC3,CHEMBL3692988,9.8
+COc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3,CHEMBL3692989,9.8
+COc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(oc12)CCNC3,CHEMBL3692990,10.0
+COc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3692991,9.48
+COc1cc(S(=O)(=O)c2ccsc2)cc2c3c(oc12)CCNC3,CHEMBL3692992,9.57
+COc1cc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3692993,9.96
+COc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3,CHEMBL3692994,9.55
+COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3692995,10.3
+COc1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3692996,9.64
+COc1cc(S(=O)(=O)c2cccs2)cc2c3c(oc12)CCNC3,CHEMBL3692997,9.77
+COc1cc(S(=O)(=O)c2ccc3c(c2)COC3)cc2c3c(oc12)CCNC3,CHEMBL3692998,9.1
+Cc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3,CHEMBL3692999,9.41
+Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3693000,9.55
+Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3,CHEMBL3693001,8.96
+Cc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696949,8.89
+Cc1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3696950,8.92
+Cc1cc(S(=O)(=O)c2ccc(F)c(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696951,8.7
+Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696952,9.3
+Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696953,9.66
+Cc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696954,9.52
+Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3696955,8.82
+Cc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3,CHEMBL3696956,9.64
+O=S(=O)(c1ccccc1)c1cc(C(F)(F)F)c2oc3c(c2c1)CNCC3,CHEMBL3696957,8.68
+O=S(=O)(c1ccc(F)cc1)c1cc(F)c2oc3c(c2c1)CNCC3,CHEMBL3696958,7.36
+N#Cc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,CHEMBL3696959,7.3
+N#Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,CHEMBL3696960,7.74
+N#Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696961,8.38
+Cn1cc(S(=O)(=O)c2cc(C#N)c3oc4c(c3c2)CNCC4)c2ccccc21,CHEMBL3696962,9.4
+N#Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3,CHEMBL3696963,8.06
+N#Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,CHEMBL3696964,8.72
+O=S(=O)(c1ccccc1)c1cc(OC(F)(F)F)c2oc3c(c2c1)CNCC3,CHEMBL3696965,9.06
+CCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696966,9.96
+O=S(=O)(c1ccccc1)c1cc(OC(F)F)c2oc3c(c2c1)CNCC3,CHEMBL3696967,9.48
+O=S(=O)(c1ccccc1)c1cc(OCCO)c2oc3c(c2c1)CNCC3,CHEMBL3696968,8.8
+CC(C)(O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696969,6.29
+CC(O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696970,8.11
+CC(C)(O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696971,7.26
+CC(O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696972,8.24
+NC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696973,6.51
+CN(C)C(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696974,5.95
+O=S(=O)(c1ccccc1)c1cc(-c2cc[nH]n2)c2oc3c(c2c1)CNCC3,CHEMBL3696975,8.35
+Cn1cc(-c2cc(S(=O)(=O)c3ccccc3)cc3c4c(oc23)CCNC4)cn1,CHEMBL3696976,7.96
+O=S(=O)(c1ccccc1)c1cc(-n2cncn2)c2oc3c(c2c1)CNCC3,CHEMBL3696977,6.97
+Cn1ccc(-c2cc(S(=O)(=O)c3ccccc3)cc3c4c(oc23)CCNC4)n1,CHEMBL3696978,7.22
+O=S(=O)(c1ccccc1)c1cc(N2CCOCC2)c2oc3c(c2c1)CNCC3,CHEMBL3696979,7.33
+O=S(=O)(c1ccccc1)c1cc(Cn2ccnc2)c2oc3c(c2c1)CNCC3,CHEMBL3696980,7.19
+COc1cc(Sc2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696981,8.72
+Clc1cc(Cc2ccccc2)cc2c3c(oc12)CCNC3,CHEMBL3696983,7.62
+COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCC(O)C3,CHEMBL3696984,9.23
+CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,CHEMBL3696985,8.02
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2F)CC1,CHEMBL3742076,6.62
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1,CHEMBL3740054,6.33
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1,CHEMBL3740235,6.49
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cnn(C)c2)CC1,CHEMBL3739745,6.19
+CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3ncccc23)CC1,CHEMBL3739680,6.63
+O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1,CHEMBL3740055,6.56
+O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(F)c1,CHEMBL3758591,6.55
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2cccc(F)c2)C3)c1,CHEMBL3759617,6.27
+CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,CHEMBL3759205,6.25
+O=S(=O)(NC1CC2CCC(C1)N2CCOc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1,CHEMBL3759819,6.49
+O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764133,6.06
+O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21,CHEMBL3764335,6.23
+CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,CHEMBL582877,6.16
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3770106,5.45
+CCOC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N(C)C)N2)c1,CHEMBL3770981,5.32
+NC1=NC2(CCCCC2)N=C(Nc2cccc(Br)c2)N1,CHEMBL3770342,5.52
+CCNC(=O)c1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CHEMBL3771331,5.23
+C=CCOc1cc(F)c(F)cc1C1CC1CN,CHEMBL3769968,6.945
+CCN/C(=N\S(=O)(=O)c1cc(Cl)cc(OC)c1)N1CC2(C=N1)CCCC2,CHEMBL3786703,7.32
+CCN/C(=N\S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(C=N1)CCCC2,CHEMBL3785512,8.21
+CCN/C(=N\S(=O)(=O)c1cccc(OC)c1)N1CC2(C=N1)CCCC2,CHEMBL3785278,7.01
+CCN/C(=N\S(=O)(=O)c1cccc(O)c1)N1CC2(C=N1)CCCC2,CHEMBL3785259,7.73
+CCN/C(=N\S(=O)(=O)c1ccc2cc[nH]c2c1)N1CC(CC)C=N1,CHEMBL3787246,7.5
+CCN/C(=N\S(=O)(=O)c1ccc2c(c1)NCC2)N1CC(CC)C=N1,CHEMBL3785853,6.4
+CCN/C(=N\S(=O)(=O)c1cccc(N)c1)N1CC2(C=N1)CCCC2,CHEMBL3786563,7.01
+CCN/C(=N\S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(C=N1)CCNCC2,CHEMBL3787525,7.94
+CCN/C(=N\S(=O)(=O)c1ccc2[nH]c(C(F)(F)F)cc2c1)N1CC(C)(C)C=N1,CHEMBL3786071,6.8
+CCN/C(=N\S(=O)(=O)c1ccc2n[nH]cc2c1)N1CC2(C=N1)CCCC2,CHEMBL3786087,7.54
+CCN/C(=N\S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(C=N1)CCCC2,CHEMBL3785100,8.32
+CCN/C(=N\S(=O)(=O)c1ccc2c(c1)CCN2)N1CC2(C=N1)CCCC2,CHEMBL3787508,7.6
+CCN/C(=N\S(=O)(=O)c1ccc(O)c(Cl)c1)N1CC2(C=N1)CCCC2,CHEMBL3785431,7.84
+CCN/C(=N\S(=O)(=O)c1ccc(OC)cc1)N1CC2(C=N1)CCCC2,CHEMBL3786432,6.68
+CCN/C(=N\S(=O)(=O)c1ccc(O)cc1)N1CC2(C=N1)CCCC2,CHEMBL3787201,8.24
+CCN/C(=N\S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(C=N1)CCCC2,CHEMBL3785453,8.74
+CCN/C(=N\S(=O)(=O)c1ccc(N)cc1)N1CC2(C=N1)CCNCC2,CHEMBL3785231,7.85
+CCN/C(=N\S(=O)(=O)c1ccc(N)cc1)N1CC2(C=N1)CCCCC2,CHEMBL3786693,8.15
+CCN/C(=N\S(=O)(=O)c1ccc(N)cc1)N1CC2(C=N1)CCCC2,CHEMBL3786973,8.0
+CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(O)cc1,CHEMBL3785894,6.6
+CCN/C(=N\S(=O)(=O)c1ccc(N(C)C)cc1)N1CC(CC)C=N1,CHEMBL3786951,6.69
+CCN/C(=N\S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1,CHEMBL3786752,8.82
+CCN/C(=N\S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)N1CC(CC)C=N1,CHEMBL3787014,8.06
+CCN/C(=N\S(=O)(=O)c1ccc(N)cc1)N1CC(CC)C=N1,CHEMBL3785626,8.14
+CCN/C(=N\S(=O)(=O)c1ccc(N)cc1)N1CC(C)(C)C=N1,CHEMBL3785864,7.69
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(=O)[nH]c3)cc(N3CCN(C)CC3)nc21,CHEMBL3800442,6.64
+CC(C)CS(=O)(=O)n1ccc2c(-c3cccnc3)cc(N3CCN(C)CC3)nc21,CHEMBL3797293,7.44
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc4[nH]ccc4c3)cc(N3CCN(C)CC3)nc21,CHEMBL3798478,8.3
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C#N)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3797435,8.15
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(O)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3800539,7.66
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(OCc4ccccc4)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3800150,6.54
+COc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1,CHEMBL3797651,8.7
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3C(F)(F)F)cc(N3CCN(C)CC3)nc21,CHEMBL3799547,7.62
+CC(C)CS(=O)(=O)n1ccc2c(-c3cccc(C(F)(F)F)c3)cc(N3CCN(C)CC3)nc21,CHEMBL3798840,7.32
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3797717,8.4
+CCc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1,CHEMBL3798953,7.96
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3)cc(N3CCN(C)CC3)nc21,CHEMBL3799638,7.8
+CC(C)CS(=O)(=O)n1ccc2c(-c3cnn(C)c3)cc(N3CCN(C)CC3)nc21,CHEMBL3800576,7.06
+Cc1cc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)c(C)s1,CHEMBL3800251,7.92
+Cc1noc(C)c1-c1cc(N2CCN(C)CC2)nc2c1ccn2S(=O)(=O)CC(C)C,CHEMBL3800055,6.89
+CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(C)(=O)=O)c3n2)CC1,CHEMBL3800153,7.27
+CC(C)S(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3799120,8.22
+CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(=O)(=O)C4CCCCC4)c3n2)CC1,CHEMBL3799330,7.82
+CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(=O)(=O)C4CCOCC4)c3n2)CC1,CHEMBL3799448,8.15
+COCCS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21,CHEMBL3798490,8.1
+CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21,CHEMBL3799529,8.52
diff --git a/chembl_200/CHEMBL338.csv b/chembl_200/CHEMBL338.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d17e2b50410d17790dfe769ff226a4e58dbb20c9
--- /dev/null
+++ b/chembl_200/CHEMBL338.csv
@@ -0,0 +1,1436 @@
+COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,CHEMBL2079586,7.622000000000001
+CN1C2CC[C@@H]1C[C@H](c1ccccc1)C2CCCO,CHEMBL339092,7.96
+COC(=O)CCC1C2CC[C@H](C[C@@H]1c1ccccc1)N2C,CHEMBL340636,7.64
+CN1C2CC[C@@H]1C[C@H](c1ccccc1)C2CC/C=C/C(=O)O,CHEMBL338866,7.7
+CN1C2CC[C@@H]1C[C@H](c1ccccc1)C2/C=C/CO,CHEMBL340900,7.59
+COC(=O)/C=C/C1C2CC[C@H](C[C@@H]1c1ccccc1)N2C,CHEMBL340793,7.66
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(F)cc1)C2,CHEMBL545419,7.31
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(F)cc1)C2,CHEMBL545417,6.95
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL2021540,6.32
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2,CHEMBL555855,6.58
+CN1C2CCC1C(CCCOC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccccc1)C2,CHEMBL541045,7.22
+CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)C2,CHEMBL545420,7.2
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL558823,7.28
+CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL544721,7.12
+CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2,CHEMBL557821,6.86
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL539254,7.21
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL2021528,6.03
+CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094050,6.26
+CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL2094049,6.6
+CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2,CHEMBL538234,7.0
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1,CHEMBL537994,7.1
+Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL555180,7.47
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1,CHEMBL2094051,6.16
+Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1,CHEMBL2094048,6.34
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL14391,8.9
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(Cl)cc1)C2,CHEMBL14144,8.28
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL297166,5.63
+CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103829,7.7
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1,CHEMBL2115080,6.3
+CC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101431,6.22
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL296019,6.607
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200252,5.81
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2079591,7.16
+OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,CHEMBL781,7.407
+Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL20648,8.29
+N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL35239,8.24
+FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL35005,8.46
+CN1C2CC[C@@H]1CC(c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccccc1,CHEMBL93721,8.28
+CN1C2CCC1[C@@H](c1ncc(-c3ccccc3)o1)C(c1ccc(Cl)cc1)C2,CHEMBL93011,7.72
+CN1C2CCC1[C@@H](c1nc(-c3ccccc3)no1)C(c1ccc(Cl)cc1)C2,CHEMBL419324,9.23
+CN1C2CC[C@@H]1CC(c1ccc(Cl)cc1)[C@@H]2c1cc(-c2ccccc2)no1,CHEMBL92610,8.68
+CN1C2CC[C@@H]1CC(c1ccc(Cl)cc1)[C@@H]2c1nnc(-c2ccccc2)o1,CHEMBL328584,7.73
+COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL312037,8.232999999999999
+N#Cc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL153093,6.96
+Fc1cccc(C(Oc2ccccc2F)C2CCNCC2)c1,CHEMBL345277,6.42
+Fc1ccccc1OC(c1ccccc1)C1CCNCC1,CHEMBL149641,6.28
+COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,CHEMBL637,6.44
+Fc1cccc(OC(c2cccc(F)c2)C2CCNCC2)c1,CHEMBL152141,6.95
+Cc1ccc(C2CC3CCC(C2C(=O)OC(C)C)N3C)cc1,CHEMBL321806,7.82
+Cc1ccc(C2CC3CCC(C2C(=O)Oc2ccccc2)N3C)cc1,CHEMBL340912,8.04
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C,CHEMBL82027,8.15
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL306208,8.43
+CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL340761,8.16
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C,CHEMBL127546,8.55
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C,CHEMBL97887,9.52
+CC(C)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL127040,8.22
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL163272,8.1
+Fc1ccc(C(OCCN2CCN(Cc3cnc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL164297,7.79
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL159445,8.39
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL160073,9.15
+Fc1ccc(C(OCCN2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL159982,7.51
+Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL164270,8.19
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ncccc4c3)CC2)c2ccc(F)cc2)cc1,CHEMBL163163,7.21
+Fc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccc(F)cc2)cc1,CHEMBL434093,7.25
+c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1,CHEMBL279556,8.0
+Fc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL34032,8.0
+Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL77867,7.6
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,6.787999999999999
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C,CHEMBL2112760,6.36
+Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL286991,9.05
+CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C,CHEMBL82946,8.4
+OC1(c2cccc(Cl)c2)c2ccccc2C2=NCCN21,CHEMBL132241,7.8
+Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL36074,8.215
+COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,CHEMBL67387,7.0
+COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2,CHEMBL2310930,4.92
+CN1C2CC[C@@H]1CC(c1ccccc1)[C@@H]2c1ccccc1,CHEMBL607062,7.42
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccccc1)N2C,CHEMBL345026,7.325
+CN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)[C@H]2c1ccccc1,CHEMBL146195,8.28
+CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL145888,7.97
+CCC[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C,CHEMBL607113,8.035
+CCC[C@H]1C(c2ccc(F)cc2)C[C@H]2CCC1N2C,CHEMBL607112,8.49
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C,CHEMBL147787,7.8
+COC(=O)[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C,CHEMBL607111,7.16
+CCC[C@H]1C(c2ccc(C)cc2)C[C@H]2CCC1N2C,CHEMBL607061,8.88
+CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL148419,7.99
+CCCC[C@H]1C(c2ccc(C)cc2)C[C@H]2CCC1N2C,CHEMBL607063,8.81
+Cc1ccc(C2C[C@H]3CCC([C@H]2c2ccccc2)N3C)cc1,CHEMBL607114,8.565
+Cc1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL65917,6.715
+Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL33902,8.42
+O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL34697,8.585
+Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL33903,8.235
+CN1Cc2c(N)cccc2C(c2ccccc2)C1,CHEMBL273575,7.29
+C[C@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112788,6.96
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1,CHEMBL2112784,6.09
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112787,7.21
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112783,6.58
+c1ccc(N2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1,CHEMBL324896,5.31
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL117606,5.24
+CN1CCC(C#N)(c2ccc(Cl)cc2)CC1,CHEMBL324886,4.66
+Cc1ccc(C2(C#N)CCN(C)CC2)cc1,CHEMBL111498,4.38
+CCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1,CHEMBL113480,5.39
+CCOC(=O)C1(c2ccc(C)cc2)CCN(C)CC1,CHEMBL323600,4.91
+COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2N=O,CHEMBL102325,4.0
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+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1,CHEMBL291321,6.12
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)cc1Cl,CHEMBL293524,5.18
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1,CHEMBL294259,5.26
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1)c1ccccc1,CHEMBL300155,5.48
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc2ccccc12,CHEMBL58942,5.01
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58485,6.13
+Clc1ccc(/C=C2\CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl,CHEMBL60915,4.86
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL301275,5.89
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc2ccccc2c1,CHEMBL58253,6.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL300146,5.11
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)cc1,CHEMBL60540,6.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccc1,CHEMBL58414,6.32
+CCC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL58307,5.16
+CNC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL57934,5.42
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL417960,5.73
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL57281,4.85
+CON(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL293574,5.06
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)cc1,CHEMBL58308,5.18
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)cc1,CHEMBL292394,6.07
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)c(Cl)c1,CHEMBL294429,5.5
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34,CHEMBL61046,5.0
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)c(Cl)c1,CHEMBL57596,5.27
+CN(C)C(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL291494,5.18
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1)c1ccccc1,CHEMBL292469,5.39
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(F)c(F)c1,CHEMBL58280,5.13
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1Cl,CHEMBL299901,6.07
+O=C(Oc1ccccc1)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL59545,5.35
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(OC)cc1,CHEMBL57260,5.5
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(Cl)cc(Cl)c1,CHEMBL300787,5.25
+Clc1ccc(/C=C2\CN3C4CCC3C(/C=C\c3ccccc3)C2C4)cc1Cl,CHEMBL59047,5.68
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)cc1,CHEMBL300818,6.31
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)cc1,CHEMBL293540,4.41
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccc(Cl)c1,CHEMBL57320,5.22
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1,CHEMBL298815,5.72
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc2ccccc2c2ccccc12,CHEMBL58960,5.79
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1ccc(Cl)c(Cl)c1)c1ccc(I)cc1,CHEMBL299019,4.75
+Cc1noc(C2CNCC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL108598,6.72
+CN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)C2c1ccc(F)cc1,CHEMBL607109,7.68
+Fc1ccc(OCCN2C3CC[C@@H]2C[C@@H](c2ccc(F)cc2)C3c2ccc(F)cc2)cc1,CHEMBL607058,7.615
+Fc1ccc(C2C3CCC(C[C@H]2c2ccc(F)cc2)N3)cc1,CHEMBL325330,7.54
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1,CHEMBL607107,7.795
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3Cc2ccccc2)cc1,CHEMBL607001,6.68
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCCCc2ccccc2)cc1,CHEMBL607056,6.87
+Cc1ccc([C@@H]2C[C@H]3CCC(C2c2ccccc2)N3C)cc1,CHEMBL607055,8.28
+Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1,CHEMBL607002,7.585
+Cc1ccc([C@@H]2C[C@H]3CCC(C2c2ccccc2)N3CCc2ccccc2)cc1,CHEMBL607057,8.91
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCF,CHEMBL105089,7.49
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL318755,8.27
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(I)cc1)C2,CHEMBL318961,9.03
+O=C(OCCF)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL317444,8.06
+Cc1ccc(C2CC3CCC(C2C(=O)OCCCF)N3C)cc1,CHEMBL430504,8.14
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(I)cc1)C2,CHEMBL105693,8.81
+COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL433159,8.48
+COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL14613,9.19
+COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2CCCF,CHEMBL319052,7.42
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C/C=C/I,CHEMBL2113650,7.54
+COC(=O)[C@H]1C(c2ccccc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611177,6.95
+C#CCN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611178,7.85
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1,CHEMBL2113649,7.38
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/I,CHEMBL2113648,7.77
+C/C=C/CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611426,7.82
+CCCc1ccc(C2C[C@H]3CCC([C@H]2C(=O)OC)N3C/C=C/I)cc1,CHEMBL611179,6.3
+C=C(Br)CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC,CHEMBL611424,7.52
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2Cc1ccccc1C,CHEMBL611181,7.03
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611180,7.52
+COC(=O)[C@H]1C(c2ccc(C(C)C)cc2)C[C@H]2CCC1N2C/C=C/I,CHEMBL611427,6.3
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccc(Cl)cc2)C1,CHEMBL296994,6.65
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44046,7.285
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296043,7.965
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL434780,6.59
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL296722,6.5
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL41995,5.752999999999999
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL42203,7.22
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1,CHEMBL417705,6.605
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL417527,7.2
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1,CHEMBL44070,7.07
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)c2ccccc2)C1,CHEMBL40196,6.36
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)s1)C3,CHEMBL61971,6.75
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3,CHEMBL294552,6.97
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C3,CHEMBL59877,6.63
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3,CHEMBL60251,6.38
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(N(C)C)cc2)cc1)C3,CHEMBL59897,5.98
+O=C(OCC1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1)C3)c1ccccc1,CHEMBL445072,5.25
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccco2)cc1)C3,CHEMBL61335,7.01
+COC(=O)[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115487,6.32
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3,CHEMBL59221,6.08
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3,CHEMBL262196,5.37
+CC(=O)OCC1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL59609,6.78
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3,CHEMBL430561,6.25
+OC[C@@H]1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3,CHEMBL2115093,5.89
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(I)cc2)cc1)C3,CHEMBL300548,6.42
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C3,CHEMBL293438,5.51
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3,CHEMBL301199,6.5
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1cc(Cl)c(-c2ccccc2)c(Cl)c1)C3,CHEMBL64630,5.06
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3,CHEMBL64625,7.33
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccs2)cc1)C3,CHEMBL64665,6.81
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3,CHEMBL64757,6.67
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3,CHEMBL59955,5.8
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccsc2)cc1)C3,CHEMBL61529,6.56
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3,CHEMBL303991,6.17
+COC(=O)C1C2CCC3CCC1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3,CHEMBL418463,7.05
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1,CHEMBL43386,5.5
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2,CHEMBL301941,5.247999999999999
+COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2,CHEMBL50518,4.44
+COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2,CHEMBL299297,4.555
+COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108469,5.37
+COC(=O)C1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL105845,4.71
+COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL323399,6.55
+COC(=O)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2111683,5.99
+COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106024,5.37
+COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108465,5.79
+COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112480,5.48
+COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL325562,5.5
+COC(=O)C1CN(C(C)C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL106025,5.16
+COC(=O)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL2112481,5.97
+COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL108886,6.09
+Cc1noc(C2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL107705,6.73
+OCC1CNCC[C@@H]1c1ccc(Cl)cc1,CHEMBL321454,6.08
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)Nc2ccccc2)C1,CHEMBL103805,7.04
+CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL321940,6.03
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)N2CCCC2)C1,CHEMBL101173,6.04
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL103144,7.25
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1,CHEMBL103297,7.8
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)O)C1,CHEMBL103865,5.52
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1,CHEMBL103262,6.78
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1,CHEMBL430481,7.8
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](Cc2noc(-c3ccc4c(c3)OCO4)n2)C1,CHEMBL316749,7.36
+COC(=O)/C=C/[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103191,7.28
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)(C)C)C1,CHEMBL102327,6.5
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCc2ccccc2)C1,CHEMBL102614,7.28
+COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103290,7.17
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1,CHEMBL319805,7.37
+CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL101641,6.74
+CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL103291,7.1
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL319076,6.15
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccccc2)C1,CHEMBL102483,6.56
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1,CHEMBL102319,6.35
+C=CCOC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL102482,7.22
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)OCCCc2ccccc2)C1,CHEMBL103208,7.44
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)O)C1,CHEMBL103739,5.89
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1,CHEMBL103688,6.7
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)N(C)C)C1,CHEMBL102861,5.67
+CN1CC[C@H](c2ccc(Cl)cc2)C(C(=O)Oc2ccccc2)C1,CHEMBL323577,6.04
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1,CHEMBL103195,6.57
+Cc1ccc([C@@H](O)[C@@H]2C3CC[C@H](C[C@@H]2c2ccc(C)cc2)N3C)cc1,CHEMBL2112763,7.07
+Cc1ccc(C2C[C@H]3CCC([C@@H]2CO)N3C)cc1,CHEMBL2112762,5.46
+Cc1ccc(C(=O)C2C(c3ccc(C)cc3)CC3CCC2N3C)cc1,CHEMBL279074,7.77
+Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2[C@@H](O)c2ccc(C)cc2)N3C)cc1,CHEMBL2079577,7.85
+Cc1ccc(C2C[C@H]3CCC(C2CCCO)N3C)cc1,CHEMBL19715,6.87
+Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2[C@@H](O)c2ccc(C)cc2)N3C)cc1,CHEMBL2079656,7.6
+Cc1ccc(CC2C(c3ccc(C)cc3)C[C@H]3CCC2N3C)cc1,CHEMBL19944,7.96
+COC(=O)/C=C/C1C(c2ccc(C)cc2)C[C@H]2CCC1N2C,CHEMBL276332,6.91
+Fc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL409161,8.96
+COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL35045,8.1
+N#Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL36141,8.92
+COc1cccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL289013,7.88
+Fc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL35122,8.96
+Fc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,CHEMBL35411,7.8
+COc1ccccc1CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL34372,7.2
+Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL36419,8.567
+Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL285673,8.24
+Fc1ccc(C(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1,CHEMBL34591,8.92
+CN1C2CCC1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL129193,7.72
+CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2,CHEMBL126735,5.42
+CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2,CHEMBL3084918,7.52
+CN1C2CCC1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL339614,6.3
+CN1C2CCC1CC(=CCOC(c1ccccc1)c1ccccc1)C2,CHEMBL130643,6.89
+CN1C2CCC1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2,CHEMBL415721,5.64
+CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL126235,7.395
+CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL127053,5.47
+c1ccc(CCCN2[C@H]3CC[C@@H]2C[C@H](CCOC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL3084920,7.645
+Fc1ccc(C(OCC[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3084919,7.925
+CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084921,6.57
+Fc1cccc(OC(c2ccccc2)C2CCNCC2)c1,CHEMBL152935,6.565
+Oc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL146321,7.39
+COc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL149437,8.57
+COc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL356380,7.55
+Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL146372,8.54
+Oc1ccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL347517,7.64
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL27907,6.68
+O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26477,8.52
+Oc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL356783,8.0
+COc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL149013,8.42
+COc1ccccc1/C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL146259,8.15
+Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL145903,9.04
+Oc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL145942,7.82
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL283662,7.32
+Oc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL358521,7.94
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL28821,8.215
+Oc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL146547,4.61
+Oc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL149565,8.24
+COc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL149014,7.72
+COc1cccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL146370,8.6
+COc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL421948,7.91
+CCCCCCCCCC(=O)OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL341692,7.74
+COc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL278242,8.31
+Oc1cccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1,CHEMBL147933,8.38
+Oc1ccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL357295,7.86
+COc1ccc(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL43124,7.82
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL417660,8.677
+COc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,CHEMBL146255,8.31
+O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL26478,8.36
+Oc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL422499,8.64
+COc1ccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL146478,7.54
+O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL149622,8.08
+COc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1,CHEMBL148441,8.6
+CCCN1CCC[C@@H](c2cccc(O)c2)C1,CHEMBL7549,5.49
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL86830,6.81
+OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL314424,8.265
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL313179,7.695
+C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCc1ccccc1,CHEMBL86477,6.58
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1,CHEMBL314433,6.09
+C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1C,CHEMBL316444,6.36
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL73234,5.51
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1,CHEMBL433340,7.095
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1,CHEMBL316244,7.21
+C[C@@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1,CHEMBL89832,6.96
+Fc1ccc(N(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL330021,7.74
+Fc1ccc(N(CCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL87841,7.56
+O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1,CHEMBL305881,5.27
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)N1,CHEMBL86519,5.41
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1,CHEMBL314726,4.52
+C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL84971,6.575
+C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@@H](C)N1,CHEMBL315846,5.62
+Fc1ccc(N(CCCN2CCNCC2)c2ccc(F)cc2)cc1,CHEMBL315166,7.22
+CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1,CHEMBL61946,5.285
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1,CHEMBL3084931,6.21
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2CCCCc1ccc([N-][N+]#N)c(I)c1,CHEMBL136566,7.48
+CN1C2CCC1C(C(=O)OCCc1ccc([N-][N+]#N)c(I)c1)C(c1ccc(Cl)cc1)C2,CHEMBL138156,7.84
+N#[N+][N-]c1ccc(CCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1I,CHEMBL3084930,6.55
+Nc1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL3084929,7.53
+N#[N+][N-]c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1I,CHEMBL3084932,6.8
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1,CHEMBL3084933,6.38
+COC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2CCCCc1ccc(N=C=S)cc1,CHEMBL138651,7.5
+CCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1,CHEMBL112817,4.97
+CN1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL113336,5.57
+CN1CCC(C#N)(c2cccc3ccccc23)CC1,CHEMBL324465,4.8
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1,CHEMBL326243,6.9
+CCOC(=O)C1(c2ccc3ccccc3c2)CCN(C)CC1,CHEMBL419744,5.94
+CCOC(=O)C1(c2ccccc2)CCN(C)CC1,CHEMBL607,4.75
+CN1CCC(C#N)(c2ccc(I)cc2)CC1,CHEMBL110967,5.08
+CCOC(=O)C1(c2ccc(I)cc2)CCN(C)CC1,CHEMBL113479,5.49
+CN1CCC(C#N)(c2ccc3ccccc3c2)CC1,CHEMBL109386,5.63
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)ccc21,CHEMBL543449,8.03
+CN[C@H]1c2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)[C@@H]1O,CHEMBL554033,5.95
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2OC)c2ccc(OC)cc21,CHEMBL545559,6.1
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cccc(OC)c21,CHEMBL541602,7.49
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL543688,7.94
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21,CHEMBL541605,8.44
+CN[C@@H]1CC(c2ccc(Cl)c(Cl)c2)c2c(OC)cccc21,CHEMBL542500,8.77
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3084884,7.71
+Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1,CHEMBL542521,6.72
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084623,6.8
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1,CHEMBL539829,7.21
+C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL545574,7.26
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL3084870,7.665
+CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084609,6.83
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL544177,6.44
+Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL541612,6.4
+Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1,CHEMBL539821,7.43
+CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL3084621,7.0
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084608,7.27
+CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1,CHEMBL3084607,7.07
+CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1,CHEMBL542275,6.82
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL545342,7.07
+Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1,CHEMBL559215,7.58
+C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2,CHEMBL543231,7.47
+C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL72703,5.74
+CN1CCC(Oc2nc(-c3ccccc3)nc3ccccc23)CC1,CHEMBL421679,5.04
+C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL72319,5.21
+CN(C)CCCOc1nc(-c2ccccc2)nc2ccccc12,CHEMBL70265,5.0
+c1ccc(-c2nc(NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1,CHEMBL305876,6.28
+c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1,CHEMBL72650,5.1
+c1ccc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1,CHEMBL305998,5.27
+CN(C)CCCSc1nc(-c2ccccc2)nc2ccccc12,CHEMBL70336,5.21
+CN1C2CCC1CC(Oc1nc(-c3ccccc3)nc3ccccc13)C2,CHEMBL70690,5.29
+OC(Cc1ccc(Br)cc1)CN1C2CCC1CC(c1ccccc1)C2,CHEMBL339863,6.51
+OC(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL129363,6.33
+O[C@H]1CCCC[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL338411,5.55
+O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL125795,5.97
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1,CHEMBL126742,7.38
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Br)cc1,CHEMBL339281,7.13
+O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL127790,5.38
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1,CHEMBL127365,7.63
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1Br,CHEMBL337929,7.17
+O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(c1ccccc1)C2,CHEMBL126762,5.97
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1,CHEMBL127013,7.63
+O=C(CN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL339712,6.65
+O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,CHEMBL340816,6.89
+OC(CN1C2CCC1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl,CHEMBL338469,7.38
+COC(=O)CN1C2CCC1C(C(=O)OC)C(OC(=O)c1ccccc1)C2,CHEMBL542196,6.32
+COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2CC(=O)O,CHEMBL555822,6.42
+COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2CCO,CHEMBL538517,6.15
+COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2[N+](=O)[O-],CHEMBL320166,5.12
+CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2,CHEMBL328204,7.23
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)=C2,CHEMBL28876,7.41
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL28236,8.12
+O[C@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28660,8.89
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)[C@H]2O,CHEMBL286949,7.995
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1,CHEMBL28712,8.14
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)[C@H]2O,CHEMBL28505,7.49
+OC1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL416198,7.66
+O=C1c2ccccc2CCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28867,7.24
+O=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28644,6.32
+C1=C(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc21,CHEMBL28947,7.42
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL283837,6.72
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O,CHEMBL27748,7.66
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)[C@@H]2O,CHEMBL283620,7.4
+Fc1ccc(C(OCCN2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1,CHEMBL28897,8.19
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1,CHEMBL30257,6.52
+OC1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL417305,6.68
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1,CHEMBL31361,7.08
+OC1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29151,7.43
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1,CHEMBL27626,6.59
+COc1ccc2c(c1)CC[C@@H](CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)[C@@H]2O,CHEMBL29003,7.74
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1,CHEMBL29286,8.41
+O=C1c2ccccc2CCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL281669,6.41
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1,CHEMBL416752,7.14
+O=C1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28935,7.31
+OC1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28133,7.49
+O=C1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29000,7.08
+OC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28191,6.77
+COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)C2=O,CHEMBL28907,7.11
+OC1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL430537,6.68
+O[C@@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL29065,7.23
+O[C@@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL29040,7.74
+O=C1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282821,6.57
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1,CHEMBL285566,8.0
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1,CHEMBL28598,7.82
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1,CHEMBL31571,7.72
+O=C1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL28726,7.135
+O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1,CHEMBL28306,6.54
+OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1,CHEMBL10914,8.6
+OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1,CHEMBL421862,8.39
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1,CHEMBL283646,7.43
+O=C1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28125,6.6
+O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1,CHEMBL282312,7.05
+O[C@H]1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL416022,7.46
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,CHEMBL115710,5.79
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL115253,7.88
+NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085021,7.99
+CN(C)CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115370,7.32
+Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL324518,7.44
+O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,CHEMBL112528,7.9
+NCCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL115311,7.59
+OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL326706,7.37
+Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL111928,6.15
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL325826,7.31
+Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,CHEMBL327055,7.18
+O=C(CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2)Nc1ccccc1,CHEMBL326604,6.74
+COC(=O)[C@@H]1C2CCC([C@H]1c1ccccc1)N2C,CHEMBL414881,5.25
+COC(=O)[C@H]1C2CCC([C@@H]1c1ccccc1)N2C,CHEMBL545473,4.02
+COC(=O)[C@H]1C2CCC([C@H]1c1ccccc1)N2C,CHEMBL78985,4.72
+COC(=O)[C@@H]1C2CCC([C@@H]1c1ccccc1)N2C,CHEMBL81329,4.22
+CC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL27336,8.645
+CN1C2CCC1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL106627,9.345
+CN1C2CCC1[C@@H](/C=C/Cl)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL28394,9.165
+CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C,CHEMBL420291,8.76
+CCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL321888,9.0
+CCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL432401,9.0
+CN1C2CCC1[C@@H](/C=C\c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL320427,9.68
+CCCCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,CHEMBL322365,6.69
+CN1C2CCC1[C@@H](CCc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2,CHEMBL104567,8.825
+Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL26649,8.1
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27490,7.92
+O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL279461,7.96
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27646,9.12
+O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL283869,6.77
+O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL278616,7.59
+O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,CHEMBL26013,7.52
+OC(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL27826,8.64
+O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL28149,8.64
+OCC(c1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL416194,7.32
+O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL282380,7.6
+OCC(c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL283473,6.92
+COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,CHEMBL303494,7.51
+COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,CHEMBL66068,7.67
+COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,CHEMBL294733,8.02
+COC(=O)C1C(c2cccc(-c3ccsc3)c2)CC2CCC1N2C,CHEMBL303232,7.63
+COC(=O)[C@@H]1C2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)N=C=O,CHEMBL2375176,6.92
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(C)(=O)=O,CHEMBL431871,5.89
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccccc1,CHEMBL114469,4.68
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)C(F)(F)F,CHEMBL114414,6.48
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccc(OC)cc1,CHEMBL115385,5.17
+COC(=O)C1C(c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC2CCC1N2C,CHEMBL50997,7.72
+COC(=O)C1C(c2ccc(-c3cccc(O)c3)cc2)CC2CCC1N2C,CHEMBL51896,7.82
+COC(=O)C1C(c2ccc(-c3cccc(OC)c3)cc2)CC2CCC1N2C,CHEMBL51454,7.23
+COC(=O)C1C(c2ccc(-c3cccc(N)c3)cc2)CC2CCC1N2C,CHEMBL50674,7.62
+COC(=O)C1C(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC2CCC1N2C,CHEMBL301174,8.02
+COC(=O)C1C(c2ccc(-c3cccc(C(C)=O)c3)cc2)CC2CCC1N2C,CHEMBL52334,7.91
+COC(=O)C1C(c2ccc(-c3ccccc3C(C)=O)cc2)CC2CCC1N2C,CHEMBL50886,5.99
+COC(=O)C1C(c2ccc(-c3ccc(OC)cc3)cc2)CC2CCC1N2C,CHEMBL296394,7.88
+COC(=O)C1C(c2ccc(-c3ccccc3OC)cc2)CC2CCC1N2C,CHEMBL299635,6.45
+COC(=O)C1C(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC2CCC1N2C,CHEMBL300511,8.29
+CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112510,6.82
+CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112509,7.12
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2,CHEMBL113195,7.5
+COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112515,7.09
+COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112508,7.24
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2,CHEMBL2112514,6.77
+O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2,CHEMBL2112516,6.76
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)Oc1ccccc1)C2,CHEMBL2112513,6.97
+CC(C)COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C,CHEMBL2112512,6.83
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2,CHEMBL113144,8.24
+CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2,CHEMBL2112511,6.92
+CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2,CHEMBL112825,8.2
+Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1,CHEMBL3084888,6.38
+COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084880,7.107
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(C(F)(F)F)c1)C2,CHEMBL3084901,6.727
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1)C2,CHEMBL3084887,7.06
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1cccc(F)c1)c1cccc(F)c1)C2,CHEMBL3084909,7.32
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc([N+](=O)[O-])c1)C2,CHEMBL3084893,6.73
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1F)C2,CHEMBL3084869,7.3
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2,CHEMBL3084883,7.49
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3084892,7.677
+Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084881,6.73
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2,CHEMBL3084899,6.71
+Cc1cccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1,CHEMBL3084903,7.11
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(F)c1)C2,CHEMBL3084907,7.16
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1cccc(F)c1)C2,CHEMBL3084906,7.63
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1cccc(Cl)c1)C2,CHEMBL3084902,7.63
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2,CHEMBL3084866,5.72
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1cccc(Br)c1)C2,CHEMBL3084905,7.42
+Cc1ccccc1C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1,CHEMBL3084878,6.51
+CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1,CHEMBL3084898,6.28
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2,CHEMBL3084900,6.71
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2,CHEMBL3084882,7.42
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)c(F)c1)C2,CHEMBL3084908,7.55
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2,CHEMBL3084872,6.53
+COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1,CHEMBL3084867,5.7
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3084896,7.72
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1Cl)C2,CHEMBL3084910,6.64
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2,CHEMBL3084897,7.04
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1N)C2,CHEMBL3084891,5.737
+Cc1cccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(F)cc2)c1,CHEMBL3084894,7.51
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Br)c1)C2,CHEMBL3084879,7.57
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3084873,6.2
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Br)cc1)C2,CHEMBL3084868,7.82
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(OC)cc1)CN23,CHEMBL612232,5.5
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,CHEMBL304656,5.725
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccs1)CN23,CHEMBL430977,6.57
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(F)cc1)CN23,CHEMBL294117,5.18
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN23,CHEMBL416865,6.32
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccco1)CN23,CHEMBL65346,5.69
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1cccc4ccccc14)CN23,CHEMBL65878,5.01
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294365,5.01
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccoc1)CN23,CHEMBL303592,5.73
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294105,6.32
+COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C\c1ccccc1)CN23,CHEMBL64965,5.29
+OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,CHEMBL65762,4.67
+CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccccc1)CN23,CHEMBL294356,5.99
+COC(=O)C[C@@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C,CHEMBL3085523,5.51
+CCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C,CHEMBL539809,5.36
+CCC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C,CHEMBL336345,5.303
+CCCC[C@@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C,CHEMBL3085519,4.89
+COC(=O)C[C@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C,CHEMBL3084338,5.12
+COC(=O)CC1=C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C,CHEMBL542492,5.32
+COC(=O)C[C@@H]1C2CCC(C[C@@H]1Cc1ccccc1)N2C,CHEMBL339395,7.04
+COC(=O)C[C@@H]1C2C[C@H](C)C(C[C@@H]1Cc1ccccc1)N2C,CHEMBL132958,6.675
+COC(=O)C[C@@H]1C2C[C@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C,CHEMBL336186,5.66
+COC(=O)CC1C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C,CHEMBL545778,5.51
+CN1C2CCC1C(/C=C/CO)C(c1ccccc1)C2,CHEMBL443821,7.59
+CN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL541825,7.7
+CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL3085569,7.52
+COc1ccc(C(OC2CC3CCC(C2)N3C)c2ccccc2)cc1,CHEMBL557818,7.11
+COc1ccc(C(OC2CC3CCC(C2)N3C)c2ccc(OC)cc2)cc1,CHEMBL545227,5.7
+CC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL175338,5.21
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(I)s1,CHEMBL119477,6.43
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1,CHEMBL369497,5.78
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL331565,6.57
+O=C(OCC1C2CC3CCC1N3C/C2=C\c1cccs1)c1ccccc1,CHEMBL366383,5.76
+CC(C)(C)OC(=O)NCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL366993,5.64
+CC(C)OC(=O)C1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL174854,6.37
+CC(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL367744,6.21
+CC(C)(C)C(=O)OCC1C2CC3CCC1N3C/C2=C\c1cccs1,CHEMBL173834,5.99
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(C)s1,CHEMBL117047,6.39
+CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL301514,7.96
+CCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL315697,7.4
+CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL554565,6.22
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21,CHEMBL543372,7.985
+CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21,CHEMBL89752,7.28
+C[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907642,6.32
+Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL11768,6.912999999999999
+C[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907826,6.52
+Fc1ccc(CCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL11497,7.22
+CC(C)[C@@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL429015,7.25
+O=[N+]([O-])c1ccc(-c2ccc(COCCN3C4CCC3CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)C4)cc2)cc1,CHEMBL12619,7.24
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,CHEMBL12004,6.44
+Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,CHEMBL267562,6.41
+CC[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907825,6.4
+Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1,CHEMBL11776,7.97
+C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL417249,7.63
+C=CCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL12377,7.5
+CC(C)[C@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL275802,7.53
+CC[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,CHEMBL1907641,6.64
+Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085022,7.44
+Fc1ccc(C(OC2CC3CCC(C2)N3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1,CHEMBL275979,7.06
+CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL283154,7.22
+COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL21859,7.78
+CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL428704,7.47
+CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C,CHEMBL281388,7.675
+CCCC1C(c2ccc(F)cc2)CC2C[C@H](F)C1N2C,CHEMBL33280,7.415
+CCCC1C(c2ccc(F)cc2)CC2CC(F)(F)C1N2C,CHEMBL286179,5.955
+CNCC[C@@H](Oc1ccccc1C)c1ccccc1,CHEMBL641,5.947
+CCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL324031,5.8
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1,CHEMBL334027,5.78
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1nccs1,CHEMBL119706,5.29
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccn1,CHEMBL118725,5.97
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cc(C)c(Br)s1,CHEMBL116369,5.89
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccs2)s1,CHEMBL116431,6.53
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1,CHEMBL331639,6.62
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cnccn1,CHEMBL116374,5.18
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1,CHEMBL119137,6.43
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2)s1,CHEMBL325404,6.75
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Br)s1,CHEMBL331425,6.83
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(Cl)s1,CHEMBL118261,6.89
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1cccc(OC)n1,CHEMBL440332,4.85
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccsc1,CHEMBL333912,6.31
+CCCCc1ccc(/C=C2\CN3C4CCC3C(C(=O)OC)C2C4)s1,CHEMBL118853,5.33
+C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084641,6.93
+CC(=O)N1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL137769,5.485
+Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1,CHEMBL323997,6.2
+O=CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL135982,5.48
+O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3084927,6.9
+CN1C2CCC1C(CCC(=O)c1ccccc1)C(c1ccccc1)C2,CHEMBL353240,7.55
+COC(=O)CCC1C(c2ccccc2)CC2CCC1N2C,CHEMBL353860,7.64
+COC(=O)/C=C/CCC1C(c2ccccc2)CC2CCC1N2C,CHEMBL353829,7.7
+CN1C2CCC1C(CCCc1ccccc1)C(c1ccccc1)C2,CHEMBL353307,7.8
+CN1C2CCC1C(CCCO)C(c1ccccc1)C2,CHEMBL354879,7.96
+COC(=O)CCCCC1C(c2ccccc2)CC2CCC1N2C,CHEMBL353112,7.52
+COC(=O)/C=C/C1C(c2ccccc2)CC2CCC1N2C,CHEMBL169971,7.66
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccccc3)no2)C1,CHEMBL303243,5.77
+CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccccc3)no2)C1,CHEMBL65819,6.3
+CC(C)c1noc([C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1,CHEMBL304678,5.49
+CC(C)c1noc([C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1,CHEMBL265226,6.36
+Cc1noc([C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1,CHEMBL294372,6.02
+NCCc1cc(O)c(O)cc1N,CHEMBL131384,7.77
+NCCc1cc(O)c(N)cc1O,CHEMBL130653,8.05
+CC(N)Cc1cc(N)c(O)cc1O,CHEMBL132012,6.95
+CC(N)Cc1cc(O)c(N)cc1O,CHEMBL131383,8.52
+NCCc1cc(N)c(O)cc1O,CHEMBL130521,7.33
+CC(N)Cc1cc(O)c(O)cc1N,CHEMBL132149,8.05
+NCCc1cc(O)c(O)cc1O,CHEMBL337702,7.92
+CC(N)Cc1cc(O)c(O)cc1O,CHEMBL28225,7.8
+Clc1ccc(C(OCCN2C3CCC2CC(Cc2ccccc2)C3)c2ccccc2)cc1,CHEMBL311044,6.7
+Fc1ccc(C(OCCN2CCC(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL433138,6.23
+Clc1ccc(C(OCCN2C3CCC2CC(Cc2ccccc2)C3)c2ccc(Cl)cc2)cc1,CHEMBL306359,6.46
+COc1ccc(C(OCCN2C3CCC2CC(Cc2ccccc2)C3)c2ccc(OC)cc2)cc1,CHEMBL80245,6.87
+Fc1ccc(C(OCCN2C3CCC2CC(Cc2ccccc2)C3)c2ccc(F)cc2)cc1,CHEMBL79490,6.84
+c1ccc(CN2C3CCC2CC(CCOC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL76603,7.0
+c1ccc(CC2CC3CCC(C2)N3CCOC(c2ccccc2)c2ccccc2)cc1,CHEMBL306314,7.01
+Cc1ccc(C(OCCN2C3CCC2CC(Cc2ccccc2)C3)c2ccc(C)cc2)cc1,CHEMBL306528,6.66
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCCCCN1C(=O)c2ccccc2C1=O,CHEMBL423692,8.53
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCCN1C(=O)c2ccccc2C1=O,CHEMBL432029,8.62
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O,CHEMBL2112550,8.04
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCN1C(=O)c2ccccc2C1=O,CHEMBL114547,8.37
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCN1C(=O)c2ccccc2C1=O,CHEMBL114837,8.62
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCF,CHEMBL358006,8.4
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCI,CHEMBL153200,7.41
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCOS(C)(=O)=O,CHEMBL153602,7.44
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC1CC1,CHEMBL150084,8.37
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC(F)F,CHEMBL356166,7.82
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCO,CHEMBL357300,8.27
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCCl,CHEMBL345553,8.51
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCF,CHEMBL346872,8.36
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CC(OC)OC,CHEMBL153361,8.17
+COC(=O)CN1C2CCC1C(C(=O)OC)C(c1ccc(I)cc1)C2,CHEMBL149801,7.92
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C(=O)C(C)C,CHEMBL153121,5.68
+CC(C)OC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCF,CHEMBL345760,8.92
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C,CHEMBL2112890,7.91
+COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CCCBr,CHEMBL356652,8.59
+CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+](=O)[O-],CHEMBL356755,5.52
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-],CHEMBL142517,4.5
+CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N,CHEMBL142158,5.52
+CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL99038,7.52
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL98279,7.44
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL97971,7.01
+CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)c(I)c1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL101001,7.37
+CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL316634,7.32
+CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL95775,7.44
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL317362,7.975
+C[C@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112915,7.83
+C[C@@H](CF)OC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL2112916,8.22
+CN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CHEMBL122360,5.47
+Cc1ccc(C(=O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,CHEMBL331787,6.375
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C([C@@H](O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL333280,5.37
+CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL120490,7.29
+Cc1ccc(C2OC(=O)OC3(c4ccc(C)cc4)CCN(C)CC23)cc1,CHEMBL120269,5.02
+Cc1ccc([C@H](O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,CHEMBL333476,4.8
+CN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1,CHEMBL120951,5.38
+CN1CCC(O)(c2ccc(Cl)cc2Cl)C([C@@H](O)c2ccc(Cl)cc2Cl)C1,CHEMBL118794,5.12
+CN1CCC(O)(c2ccc(Cl)cc2Cl)C(C(=O)c2ccc(Cl)cc2Cl)C1,CHEMBL331334,5.23
+CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)C1,CHEMBL13499,5.89
+CN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1,CHEMBL275060,6.2
+CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1,CHEMBL13425,5.4
+CN1C[C@@H](C(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL441219,5.5
+CN1C[C@@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1,CHEMBL269445,6.21
+Cc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccccc2F)cc1,CHEMBL14197,5.71
+CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,CHEMBL268999,5.91
+CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)C1,CHEMBL13605,5.9
+CN1C[C@@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1,CHEMBL275541,6.7
+CN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1,CHEMBL276841,5.85
+COc1ccc(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(Cl)cc2)cc1,CHEMBL13511,5.94
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)C1,CHEMBL327329,5.64
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1,CHEMBL94108,5.43
+c1ccc(C(c2ccccc2)c2ccncc2)cc1,CHEMBL150045,9.7
+c1ccc(Cc2ccnc(Cc3ccccc3)c2)cc1,CHEMBL147135,8.64
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1F,CHEMBL49736,6.72
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl,CHEMBL52392,6.27
+O=c1onc(-c2ccc(Cl)cc2)n1-c1ccccc1,CHEMBL299838,5.04
+CC1=NC(c2ccccc2)C(c2ccccc2)S1,CHEMBL51130,5.64
+N=c1scc(-c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL296907,7.07
+N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1N1CCOCC1,CHEMBL50901,4.38
+Cc1ccc(-c2csc(=N)n2-c2ccc(Cl)cc2)cc1,CHEMBL51993,6.91
+N=c1scc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1,CHEMBL297102,7.15
+Cc1cc(-n2c(-c3c(F)cccc3F)csc2=N)ccc1Cl,CHEMBL301094,7.32
+Cc1cc(-c2csc(=N)n2-c2ccc(Cl)cc2)ccc1Cl,CHEMBL48892,7.62
+Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2,CHEMBL298285,4.24
+c1ccc(CC2NCCc3ccccc32)cc1,CHEMBL21640,4.44
+Oc1ccc(CC2NCCc3ccccc32)cc1O,CHEMBL44877,4.67
+CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCCF,CHEMBL38666,8.92
+COC(=O)[C@H]1C(c2ccc(F)cc2)C[C@H]2CCC1N2C,CHEMBL40560,7.83
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2C,CHEMBL290970,8.85
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2CCCF,CHEMBL41141,8.46
+CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCF,CHEMBL38653,8.36
+COC(=O)[C@H]1C(c2ccc(I)cc2)C[C@H]2CCC1N2CCF,CHEMBL41966,8.4
+Clc1ccc([C@@H]2CCN3C/C(=N\OCc4ccccc4)C2C3)cc1,CHEMBL46773,5.865
+Clc1ccc([C@@H]2CCN3C/C(=N\OCCCc4ccccc4)C2C3)cc1,CHEMBL46536,7.335
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCCCc2ccccc2)C1,CHEMBL44922,7.28
+CO/N=C1/CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL298420,6.44
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)C1,CHEMBL43713,6.16
+CO/N=C1/CN2CC[C@H](c3ccc(Cl)cc3)C1C2,CHEMBL295882,6.315
+COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL46413,6.627000000000001
+CC(C)(C)O/N=C1\CN2CC[C@@H](c3ccc(Cl)cc3)C1C2,CHEMBL295880,6.165
+CN1CCC(c2ccc(Cl)cc2)C(C(=O)OCCCc2ccccc2)C1,CHEMBL47068,5.84
+C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1,CHEMBL2112791,5.62
+C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)N1,CHEMBL2112789,5.41
+COC(=O)[C@H]1C2C[C@H](O)[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2112504,6.09
+COC(=O)[C@H]1C2C[C@@H](O)[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2112502,4.905
+COC(=O)[C@@H]1C2C[C@@H](O)[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2111722,4.23
+COC(=O)[C@@H]1C2C[C@H](O)[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL2112501,6.715
+COC(=O)[C@H]1C2[C@H](O)C[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2112505,6.87
+COC(=O)[C@@H]1C2C[C@H](O)[C@H](C[C@H]1c1ccc(C)cc1)N2C,CHEMBL2111724,5.505
+COC(=O)[C@@H]1C2C(O)C[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL2112506,7.505
+CCCC1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL113614,7.485
+COC(=O)[C@H]1C2C(O)C[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL2111726,5.395
+Cc1ccc(C2C[C@H]3CC4OC(=O)C2C4N3C)cc1,CHEMBL113410,4.84
+COC(=O)[C@@H]1C2C[C@@H](O)[C@H](C[C@@H]1c1ccc(C)cc1)N2C,CHEMBL2112503,5.69
+COC(=O)[C@@H]1C2CCCC(C[C@@H]1c1ccccc1)N2C,CHEMBL3350872,5.34
+CN1C2CCCC1C(C(=O)c1ccccc1)C(c1ccccc1)C2,CHEMBL358553,5.56
+C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL113830,6.44
+CN1C2CCC1[C@@H](CCCO)[C@@H](c1ccccc1)C2,CHEMBL423162,7.96
+CC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C,CHEMBL133735,6.72
+NC12CCC(c3ccccc3)(CC1)CC2,CHEMBL288524,7.08
+COc1ccccc1OC(CCN)c1ccccc1,CHEMBL339396,6.25
+Cc1c(-c2ccccc2)cc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1O,CHEMBL130630,5.29
+CN1C2CCC1[C@@H](CCCc1ccccc1)[C@@H](c1ccccc1)C2,CHEMBL341431,7.79
+O=C(CCCC1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL133884,5.28
+CCC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C,CHEMBL336300,6.51
+CC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C,CHEMBL423529,6.51
+CN(C)C/C=C(\c1cccnc1)c1cccc(Br)c1,CHEMBL37065,4.95
+CN1C2CCC1[C@@H](/C=C/CO)[C@@H](c1ccccc1)C2,CHEMBL134214,7.79
+CN1C2CCC1[C@@H](CCC(=O)c1ccccc1)[C@@H](c1ccccc1)C2,CHEMBL131957,7.55
+CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL894,6.43
+CCCC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C,CHEMBL135045,5.07
+COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1,CHEMBL287257,7.983
+CCCN1CCCC(c2ccc(O)cc2)C1,CHEMBL305438,6.25
+COC(=O)CC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C,CHEMBL133697,7.64
+COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C,CHEMBL133282,7.66
+COC(=O)/C=C/CC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C,CHEMBL132730,7.7
+CCN(CC)C(C)(C)OC(=O)c1ccc(N)cc1,CHEMBL337064,6.21
+COC(=O)CCCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C,CHEMBL133422,7.52
+COC(=O)CC(c1ccccc1)C1CCCCN1,CHEMBL335390,6.73
+C(COC(c1ccccc1)c1ccccc1)=C1CC2CCC(C1)N2Cc1ccccc1,CHEMBL349548,7.32
+Clc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL157259,7.04
+CN1C2CCC1CC(CCOC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL160391,7.32
+Oc1cccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c1,CHEMBL348583,7.7
+CN1C2CCC1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL157045,7.74
+Clc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1,CHEMBL346995,7.09
+Fc1ccc(C(OCC=C2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL157183,8.1
+Clc1ccc(C(OCCC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,CHEMBL156286,7.52
+C(OC(c1ccccc1)c1ccccc1)=C1CC2CCC(C1)N2CCCc1ccccc1,CHEMBL160857,8.39
+Fc1ccc(C(OCC=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL348907,8.43
+Fc1ccc(C(OCCC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL157260,8.24
+Oc1ccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL160246,7.52
+Clc1ccc(C(OCCC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL443291,7.3
+CNCc1ccccc1Sc1ccc(I)cc1N,CHEMBL278809,6.09
+COCc1cc(I)ccc1Sc1ccccc1CN(C)C,CHEMBL284002,6.76
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1N,CHEMBL22216,6.77
+CN(C)Cc1ccccc1Sc1ccc(F)cc1CO,CHEMBL22743,6.47
+CNCc1ccccc1Sc1ccc(Br)cc1N,CHEMBL23033,6.77
+CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO,CHEMBL278165,6.02
+CNCc1ccccc1Sc1ccc(I)cc1CO,CHEMBL429065,6.12
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1,CHEMBL555280,5.34
+COc1ccc([C@H](CN)[C@@H](O)C2CCCCC2)cc1,CHEMBL540333,5.84
+CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,CHEMBL623,5.62
+Cc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1,CHEMBL544633,5.31
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539050,7.92
+CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C,CHEMBL543925,7.22
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C,CHEMBL542501,5.92
+Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1,CHEMBL539054,5.27
+CN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL556025,5.81
+NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,CHEMBL539564,8.21
+CCOc1ccccc1OCC1CNCCO1,CHEMBL306700,4.32
+COc1ccc([C@H](CN(C)C)[C@@H](O)C2CCCCC2)cc1,CHEMBL538053,6.19
+NC[C@@H](c1ccccc1)[C@@H](O)c1ccccc1,CHEMBL542746,5.18
+CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1,CHEMBL545557,6.92
+Nc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL2093944,9.07
+O=[N+]([O-])c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL536947,7.03
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL540617,8.77
+Clc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL171474,9.0
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1OC,CHEMBL556545,7.14
+FC(F)(F)c1cccc([C@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL2093945,7.27
+Nc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743811,7.52
+c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL558387,8.36
+COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL538310,8.28
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL539081,8.29
+Oc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL553692,8.0
+CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL416777,6.73
+C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc12,CHEMBL32797,8.12
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1O,CHEMBL1743819,8.0
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1Cl,CHEMBL35071,7.51
+Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL32209,6.55
+COc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL431299,7.8
+Oc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743793,8.0
+Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL431898,6.93
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1OC,CHEMBL1743820,7.14
+c1ccc([C@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL284367,7.09
+Cn1ccc2c1[C@@H](c1ccccc1)CN1CCC[C@@H]21,CHEMBL1743807,8.01
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(F)ccc32)cc1,CHEMBL1743798,8.11
+c1ccc([C@H]2CN3CCC[C@H]3c3ccsc32)cc1,CHEMBL1743767,8.28
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c(Cl)c1,CHEMBL34891,6.95
+CC(=O)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743765,7.36
+Oc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1O,CHEMBL1743817,7.49
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL285403,7.4
+COc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743795,6.92
+COc1ccc([C@@H]2CN3CCCC3c3cc(OC)c(OC)cc32)cc1OC,CHEMBL32181,6.45
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(Cl)ccc32)cc1,CHEMBL35013,8.49
+N#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL35441,7.08
+Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743810,9.07
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL35492,8.01
+COc1cc2c(cc1OC)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743804,6.97
+COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL284981,6.56
+FC(F)(F)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33364,6.89
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL287859,8.08
+c1ccc([C@H]2CN3CCC[C@H]3c3[nH]c4ccccc4c32)cc1,CHEMBL1743805,8.54
+Clc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL33769,7.6
+Clc1ccc([C@@H]2CN3CCC[C@H]3c3cc(Cl)ccc32)cc1,CHEMBL32270,7.19
+C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc12,CHEMBL416959,7.4
+FC(F)(F)c1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL35166,7.95
+Oc1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1,CHEMBL1743781,7.35
+O[C@@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743822,6.59
+O[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL285277,7.55
+COc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743794,8.28
+c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL2114393,6.8
+O=[N+]([O-])c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743812,7.03
+C[C@]1(c2ccccc2)CN2CCC[C@H]2c2ccccc21,CHEMBL1743824,8.13
+C#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL286312,8.59
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1,CHEMBL1743773,5.54
+CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21,CHEMBL35337,8.14
+CS(=O)(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743772,5.68
+Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743785,8.29
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL1743782,8.77
+O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL33246,7.61
+COc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21,CHEMBL36030,7.91
+CCN1Cc2ccccc2C(c2ccccc2)C1,CHEMBL286455,7.44
+COc1cc2c(cc1OC)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL34875,7.82
+Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1Cl,CHEMBL287474,9.0
+c1ccc2c(c1)[C@@H]1CCCN1C[C@@H]2C1CCCCC1,CHEMBL1743814,6.22
+Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743778,6.44
+COc1ccc(NC(=O)Nc2ccc([C@@H]3CN4CCC[C@H]4c4ccccc43)cc2)cc1,CHEMBL32720,8.06
+COc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL32726,8.55
+Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743791,7.58
+c1csc([C@H]2CN3CCC[C@H]3c3ccsc32)c1,CHEMBL1743823,7.4
+NC(=O)c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL418038,7.07
+Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743799,7.36
+COc1ccc2c(c1)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743777,7.41
+Clc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL1743790,8.6
+CCCCc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL285902,6.64
+FC(F)(F)c1cccc([C@@H]2CN3CCCC3c3cc(Cl)ccc32)c1,CHEMBL289900,6.77
+Clc1ccc2c(c1)[C@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743786,8.6
+c1ccc([C@@H]2CN3CC[C@H]3c3ccccc32)cc1,CHEMBL288784,5.79
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079663,7.68
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1cccc2ccccc12,CHEMBL3349886,6.52
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccccc2)cc1,CHEMBL3349883,6.76
+COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079584,6.57
+COC(=O)[C@@H]1CNCC[C@H]1c1ccc2ccccc2c1,CHEMBL3350042,7.05
+C=Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349887,6.88
+C#Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349884,6.73
+COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1,CHEMBL2079583,6.02
+C=CCc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1,CHEMBL3349885,6.02
+COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc2ccccc2c1,CHEMBL2079664,7.06
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1,CHEMBL371349,6.1
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1,CHEMBL195475,6.94
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccccc2F)cc1,CHEMBL191985,5.47
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(F)c2)cc1,CHEMBL195404,6.19
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(F)cc2)cc1,CHEMBL371816,6.79
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2cccc(C(F)(F)F)c2)cc1,CHEMBL195138,6.25
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccc(F)c(F)c4)cc1)CN23,CHEMBL2113083,6.97
+COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4cc(F)cc(F)c4)cc1)CN23,CHEMBL2113081,6.64
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1,CHEMBL363189,5.98
+COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccc(-c2ccsc2)s1,CHEMBL195146,6.94
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(F)c(F)c1,CHEMBL194439,5.5
+COC(=O)C1C2CC3CCC1N3C/C2=C\C#Cc1ccc(C)c(F)c1,CHEMBL371344,5.15
+O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2113049,5.71
+COc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)CC2O)cc1,CHEMBL2112056,6.96
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc(F)cc1,CHEMBL2113047,6.49
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2112057,6.79
+OC1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccccc1,CHEMBL2112058,6.6
+COc1ccc(CNC2C[C@H](C(c3ccccc3)c3ccccc3)OC[C@@H]2O)cc1,CHEMBL2112059,5.7
+O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CC1NCc1ccccc1,CHEMBL2112060,6.15
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1,CHEMBL2112061,6.9
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OCC1NCCc1ccc(F)cc1,CHEMBL2113044,6.5
+OC1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccccc1,CHEMBL2113048,6.35
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)c(OC)c1,CHEMBL2113050,6.28
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)CC2O)cc(OC)c1,CHEMBL2113053,7.0
+COc1ccc(CNC2C[C@@H](C(c3ccccc3)c3ccccc3)OC[C@H]2O)cc1,CHEMBL2113052,6.21
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL549,4.905
+COC(=O)C1C(c2ccc(-c3cscc3Br)cc2)CC2CCC1N2C,CHEMBL433560,6.74
+COC(=O)C1C(c2ccc(-c3ccc(I)s3)cc2)CC2CCC1N2C,CHEMBL178773,7.66
+COC(=O)C1C(c2ccc(-c3ccsc3)cc2)CC2CCC1N2C,CHEMBL435287,7.92
+COC(=O)C1C2CCC(CC1c1ccc(-c3cccs3)cc1)N2,CHEMBL181557,7.91
+COC(=O)C1C(c2ccc(-c3cccs3)cc2)CC2CCC1N2C,CHEMBL181609,7.28
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccsc3)cc1)N2,CHEMBL179498,8.19
+COC(=O)C1C(c2ccc(-c3ccc(Br)s3)cc2)CC2CCC1N2C,CHEMBL180918,8.19
+COC(=O)C1C(c2ccc(-c3ccc(Cl)s3)cc2)CC2CCC1N2C,CHEMBL369098,8.35
+CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(Br)cc1)C2,CHEMBL365649,8.72
+O=C(OCCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL184807,9.14
+CN1C2CCC1C(C(=O)OCCF)C(c1ccc(Br)cc1)C2,CHEMBL185608,8.63
+O=C(OCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL186119,9.24
+O=C(OCCF)C1C2CCC(CC1c1ccc(I)cc1)N2,CHEMBL186306,9.07
+O=C(OCCF)C1C(c2ccc(Br)cc2)CC2CCC1N2CCCF,CHEMBL184123,7.97
+CN1C2CCC1C(C(=O)NCCF)C(c1ccc(Br)cc1)C2,CHEMBL365413,7.59
+CN1C2CCC1C(C(=O)NCCF)C(c1ccc(I)cc1)C2,CHEMBL183259,7.35
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(Br)cc1)C2,CHEMBL362565,8.91
+CN1C2CCC1C(C(=O)OCCOS(=O)(=O)c1ccccc1)C(c1ccc(I)cc1)C2,CHEMBL187299,9.28
+COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2,CHEMBL365623,9.28
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2,CHEMBL419316,6.43
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,CHEMBL92860,6.61
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2,CHEMBL328114,6.29
+NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,CHEMBL1373,5.537000000000001
+CN1CCC(c2ccc(Cl)cc2)C(CI)C1,CHEMBL364469,6.42
+COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL372709,7.1
+COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188276,6.64
+CN1CCC(c2ccc(Cl)cc2)C(CSCCO)C1,CHEMBL373108,7.8
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCO)C1,CHEMBL365227,7.92
+COCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191494,7.3
+COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188357,7.82
+CC(=O)OCCSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL364536,7.46
+CC(=O)OCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL193244,8.05
+CN1CCC(c2ccc(Cl)cc2)C(CSCCOC(=O)c2ccccc2)C1,CHEMBL373127,7.17
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CCOC(=O)c2ccccc2)C1,CHEMBL189693,7.49
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(N)=O)C1,CHEMBL363738,6.8
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)NO)C1,CHEMBL192936,7.07
+CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL192801,7.89
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N(C)C)C1,CHEMBL360834,6.94
+CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL188557,9.0
+CN1CCC(c2ccc(Cl)cc2)C(CSCC(=O)N2CCCCC2)C1,CHEMBL191330,7.08
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(N)=O)C1,CHEMBL371338,6.68
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)NO)C1,CHEMBL190218,7.26
+CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191428,6.79
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N(C)C)C1,CHEMBL188219,5.54
+CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1,CHEMBL191560,6.61
+CN1CCC(c2ccc(Cl)cc2)C(CS(=O)CC(=O)N2CCCCC2)C1,CHEMBL190173,6.42
+Cc1noc(CSCC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371416,6.9
+Cc1noc(CS(=O)CC2CN(C)CCC2c2ccc(Cl)cc2)n1,CHEMBL371580,5.78
+COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL188143,7.29
+NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1,CHEMBL364217,6.94
+NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1,CHEMBL191287,6.97
+COc1ccc(CN2CCN3C[C@@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1,CHEMBL408192,7.695
+COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL198641,5.58
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL197539,5.96
+CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197423,6.79
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL383360,6.18
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL198809,5.8
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL372380,7.64
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL197389,6.73
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL197013,6.27
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL200713,6.42
+COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200202,6.22
+CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL370830,6.67
+CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL200671,6.85
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N(C)C)C1,CHEMBL196808,6.75
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2ccccc2)C1,CHEMBL200344,7.1
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL200660,6.52
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCCc2ccccc2)C1,CHEMBL199715,6.95
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc23)C1,CHEMBL197179,6.99
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCO)C1,CHEMBL199002,6.8
+CC(=O)OCCSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1,CHEMBL196806,6.75
+CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1,CHEMBL382547,5.83
+COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL370401,7.42
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(N)=O)C1,CHEMBL198518,7.27
+CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL196857,6.51
+CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200288,7.89
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N(C)C)C1,CHEMBL424849,7.77
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1,CHEMBL372975,7.47
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1,CHEMBL199057,8.41
+CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCCO)C1,CHEMBL383585,7.43
+CC(=O)OCCSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1,CHEMBL200056,7.34
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3350391,7.95
+CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085019,6.18
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,CHEMBL3085018,7.19
+NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085023,7.9
+O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,CHEMBL3085031,8.34
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3085030,7.93
+CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085029,7.67
+C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3085028,7.57
+Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1,CHEMBL3085027,8.07
+CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C,CHEMBL3085033,6.91
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3085032,8.27
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccccc1)c1ccc(Cl)cc1)C2,CHEMBL3085025,7.44
+CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,CHEMBL3085024,7.42
+COC(=O)C1C2CCC(CC1c1ccc(-c3ccco3)cc1)N2,CHEMBL200044,8.42
+COC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C,CHEMBL200698,7.85
+COC(=O)C1C(c2ccc(-c3cc(F)cc(F)c3)cc2)CC2CCC1N2C,CHEMBL200748,7.5
+COC(=O)C1C(c2ccc(-c3cccc(F)c3)cc2)CC2CCC1N2C,CHEMBL203299,7.6
+COC(=O)C1C(c2ccc(-c3ccco3)cc2)CC2CCC1N2C,CHEMBL199704,8.15
+COC(=O)C1C2CCC(CC1c1ccc(-c3cncc(OC)c3)cc1)N2,CHEMBL199743,6.48
+COC(=O)C1C(c2ccc(-c3nccs3)cc2)CC2CCC1N2C,CHEMBL382943,6.28
+COC(=O)C1C(c2ccc(-c3cccnc3)cc2)CC2CCC1N2C,CHEMBL199634,7.58
+COC(=O)C1C(c2ccc(-c3cncc(OC)c3)cc2)CC2CCC1N2C,CHEMBL199850,6.23
+COC(=O)C1C2CCC(CC1c1ccc(-c3nccs3)cc1)N2,CHEMBL381418,7.16
+COC(=O)C1C(c2ccc(-c3cnccn3)cc2)CC2CCC1N2C,CHEMBL383572,6.92
+COC(=O)C1C(c2ccc(-c3cnc4ccccc4c3)cc2)CC2CCC1N2C,CHEMBL199512,7.22
+COC(=O)C1C(c2ccc(-c3cncnc3)cc2)CC2CCC1N2C,CHEMBL372121,6.46
+COC(=O)C1C(c2ccc(-c3ccccn3)cc2)CC2CCC1N2C,CHEMBL199407,7.36
+COC(=O)C1C(c2ccc(-c3ccncc3)cc2)CC2CCC1N2C,CHEMBL199451,5.81
+COC(=O)C1C(c2ccc(-c3cccc(N(C)C)c3)cc2)CC2CCC1N2C,CHEMBL381249,6.26
+Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL213627,7.082999999999999
+Nc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209843,7.145
+O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL211302,7.44
+O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209651,7.205
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4[nH]ccc4c3)CO2)cc1,CHEMBL209603,6.57
+Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL209809,7.055
+O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1,CHEMBL379716,6.57
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1,CHEMBL211994,6.695
+Oc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)C[C@@H]2O)cc1,CHEMBL379706,6.97
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1,CHEMBL215988,6.71
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(/C=C\I)cc1,CHEMBL213921,6.91
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccsc2)cc1,CHEMBL213823,6.22
+COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(-c2ccco2)cc1,CHEMBL214567,6.69
+COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C,CHEMBL215376,9.02
+CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL2103769,4.55
+CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL213148,6.24
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL122317,5.86
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL377539,5.9
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL125511,5.73
+CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL217815,6.54
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL124219,6.96
+CN1[C@H](/C=C/c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL213613,6.02
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N2C,CHEMBL214230,8.3
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N)cc3)cc1)N2C,CHEMBL217627,7.89
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N)c(I)c3)cc1)N2C,CHEMBL385942,6.87
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc([N-][N+]#N)c(I)c3)cc1)N2C,CHEMBL273878,7.82
+COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,CHEMBL218082,9.38
+CCOC(=O)C1C(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL217018,7.66
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL217022,7.84
+COC(=O)C1C(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC2CCC1N2C,CHEMBL216990,7.63
+COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C,CHEMBL386064,7.9
+CCCCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217456,8.09
+C=CCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL384104,7.96
+CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2,CHEMBL214923,8.05
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217160,7.56
+CN1C2CCC1[C@@H](COC(=O)CCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL214574,7.4
+COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL384482,8.43
+COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL413927,8.33
+C=C[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C,CHEMBL214234,8.74
+CN1C2CCC1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL217295,8.47
+COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,CHEMBL318235,6.23
+COC(=O)[C@H](c1ccccc1Cl)[C@H]1CCCCN1,CHEMBL534500,5.76
+COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL537654,6.44
+OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL537653,8.41
+COC[C@H](c1ccccc1)[C@H]1CCCCN1,CHEMBL537431,7.05
+OC[C@H](c1ccccc1)[C@H]1CCCCN1,CHEMBL537209,6.39
+c1ccc(C2CCCNC2)cc1,CHEMBL556366,5.34
+c1ccc(CC2CCCCN2)cc1,CHEMBL534502,5.2
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL534501,8.39
+CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL553714,8.26
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558395,8.46
+CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537875,7.56
+CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL540625,6.76
+C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541896,6.92
+C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1,CHEMBL541895,6.75
+CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL537874,7.97
+O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558182,8.61
+O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL557356,6.97
+O=C1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL558394,7.85
+O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL541134,6.04
+O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1,CHEMBL537652,7.45
+O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL553921,5.2
+CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1,CHEMBL1203942,6.24
+CCN1CCCC[C@@H]1[C@H](C)c1ccccc1,CHEMBL537430,5.12
+CCN1CCCC[C@@H]1[C@H](CO)c1ccccc1,CHEMBL553859,5.68
+Clc1ccc([C@@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL559186,7.46
+Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12,CHEMBL537429,6.32
+Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl,CHEMBL556365,8.47
+c1ccc([C@H]2CCCN3CCCC[C@H]23)cc1,CHEMBL537206,7.12
+O=C1CC[C@H](c2ccccc2)[C@H]2CCCCN12,CHEMBL541898,5.18
+COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,CHEMBL54134,8.32
+COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,CHEMBL904,7.13
+Fc1ccc(C(OCCN2CC3CC(C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1,CHEMBL540371,8.26
+Ic1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,CHEMBL393236,6.64
+COc1ccccc1OC(c1ccc(I)s1)C1CNCCO1,CHEMBL245639,6.68
+Cc1ccccc1OC(c1ccc(I)s1)C1CNCCO1,CHEMBL245638,6.73
+COc1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL245637,6.15
+O=[N+]([O-])c1ccccc1COC(c1cccc(I)c1)C1CNCCO1,CHEMBL247284,7.85
+FC(F)(F)c1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL429658,5.73
+CCOc1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL394965,5.5
+Cc1ccccc1OC(c1cccc(I)c1)C1CNCCO1,CHEMBL439030,6.13
+Ic1ccccc1OC(c1ccccc1)C1CNCCO1,CHEMBL396328,6.39
+Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL246388,5.55
+CN(C)Cc1ccccc1Oc1ccc(F)cc1N,CHEMBL394320,5.36
+CN(C)Cc1cc(F)ccc1Sc1ccc(C#N)cc1N,CHEMBL246120,4.85
+CN(C)Cc1cc(F)ccc1Oc1ccc(C#N)cc1N,CHEMBL246119,4.17
+CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N,CHEMBL246118,5.74
+Cc1ccc(Sc2ccc(F)cc2CN(C)C)c(N)c1,CHEMBL245915,5.44
+CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N,CHEMBL245913,5.6
+Fc1ccc(C(OCCC2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL255065,8.89
+Fc1ccc(C(OCCC2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL429492,9.1
+Fc1ccc(C(OCCC2CCN(C[C@@H]3Cc4ccccc4CN3)CC2)c2ccc(F)cc2)cc1,CHEMBL429840,8.32
+Fc1ccc(C(OCCC2CCN(C[C@H]3Cc4ccccc4CN3)CC2)c2ccc(F)cc2)cc1,CHEMBL252759,8.03
+Fc1ccc(C(OCCC2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL136249,8.28
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,CHEMBL137020,8.79
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,CHEMBL136154,9.0
+Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,CHEMBL538405,9.14
+CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL400707,7.4
+CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL252758,7.47
+C=CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL255055,7.19
+O[C@H]1c2ccccc2CC[C@@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL255054,7.74
+Fc1ccc(C(OCCN2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)c2ccc(F)cc2)cc1,CHEMBL254843,7.0
+Fc1ccc(C(OCCN2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL403575,7.7
+Fc1ccc(C(OCCN2CCN(CCCCl)CC2)c2ccc(F)cc2)cc1,CHEMBL251242,7.38
+S=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL272603,5.93
+O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL260682,7.965
+O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL263636,7.54
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CHEMBL408950,7.015
+O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1,CHEMBL409881,6.665
+O[C@@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL410244,7.55
+O[C@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1,CHEMBL260151,6.955
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258511,7.57
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1,CHEMBL258725,7.785
+N#Cc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)NC2)cc1,CHEMBL261737,7.995
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccc(F)cc2)NC1)c1ccc(F)cc1,CHEMBL258724,5.51
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)c1ccc(F)cc1,CHEMBL261736,6.63
+CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1,CHEMBL521582,5.44
+O=C(Cc1ccccc1)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL507255,8.16
+C=CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL489601,8.49
+CCCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL487088,7.47
+CCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL490424,7.82
+CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495726,7.66
+O[C@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495520,8.27
+O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495519,8.76
+O=C(CCCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL444690,7.29
+O=C(CCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL443649,7.44
+O=C(Cc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL505059,7.83
+C=CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL496753,8.17
+CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL502790,8.03
+CCC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL497586,8.25
+CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL498600,8.37
+CCOc1ccccc1O[C@@H](c1ccc(I)cc1)[C@@H]1CNCCO1,CHEMBL490996,5.84
+CCOc1ccccc1O[C@H](c1ccc(I)cc1)[C@H]1CNCCO1,CHEMBL477406,6.15
+COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,CHEMBL538876,7.8
+Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OCCF)N3C/C=C/I)cc1,CHEMBL563214,7.92
+C1=C(c2ccccc2)CC2CCC1N2,CHEMBL576092,5.91
+Fc1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL570638,5.98
+Clc1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL576508,6.64
+FC(F)(F)c1ccc(C2=CC3CCC(C2)N3)cc1,CHEMBL570871,5.83
+Clc1ccc(C2=CC3CCC(C2)N3)cc1Cl,CHEMBL578130,7.8
+c1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084703,6.93
+Clc1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084695,7.66
+Clc1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084698,7.8
+Clc1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084701,6.76
+Clc1ccc(CO[C@]2(c3ccc(Cl)cc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084696,7.2
+Clc1ccc(CO[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084697,6.41
+FC(F)(F)c1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1,CHEMBL3084699,5.86
+Clc1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084700,6.15
+Clc1ccc(CO[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H](C2)N3)cc1Cl,CHEMBL3084702,5.53
+Ic1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1,CHEMBL568336,6.28
+Ic1cccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)c1,CHEMBL569927,5.72
+Ic1ccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)cc1,CHEMBL579221,5.68
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605748,4.7
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597299,4.7
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597297,4.97
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL596683,4.97
+Cc1ccc(S(=O)(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL597085,4.54
+CN1[C@H](C[C@H](OS(=O)(=O)Cc2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL604306,4.83
+CCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597270,5.16
+CC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597067,5.33
+CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL597271,5.32
+CC(C)S(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL599268,5.34
+CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL603692,4.93
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL597298,4.75
+CN1[C@H](C[C@H](OC(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL606378,5.52
+COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL603904,5.42
+CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599693,5.64
+CN1[C@H](C[C@H](OS(=O)(=O)c2cccc3ccccc23)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL605420,5.38
+CN1[C@H](C[C@H](OS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL599267,4.87
+CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1,CHEMBL596682,5.62
+Cc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1,CHEMBL599081,5.69
+CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,CHEMBL608151,7.87
+COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,CHEMBL1173532,8.0
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(Br)cccc21,CHEMBL1215759,6.67
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccccc3)ccc21,CHEMBL1215760,5.74
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(N)c3)ccc21,CHEMBL1215761,5.77
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1215762,6.08
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(C#N)c3)ccc21,CHEMBL1215763,6.13
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21,CHEMBL1214690,5.6
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(-c3cccc(Cl)c3)ccc21,CHEMBL1214769,5.86
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(Cl)cc3)ccc21,CHEMBL1214770,5.7
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3ccccc3)cccc21,CHEMBL1214771,6.27
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(/C=C/c3ccccc3)cccc21,CHEMBL1214842,5.94
+CN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3cccc(F)c3)cccc21,CHEMBL1212960,6.31
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(I)ccc21,CHEMBL1214843,5.87
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CHEMBL1508,5.09
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(C#N)cc3)ccc21,CHEMBL1214844,5.1
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21,CHEMBL1214907,5.65
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21,CHEMBL1214908,5.87
+CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1214909,5.74
+CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21,CHEMBL1214910,6.27
+CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1290622,6.49
+CCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CCNCC1,CHEMBL1290741,5.49
+CCOC(=O)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1288490,5.46
+CCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290742,6.15
+CN1CCC(C(=O)OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289072,5.53
+COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCN(C)CC2)cc1,CHEMBL1289073,5.55
+CN1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289190,5.82
+CN1CCC(C(=O)OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289191,5.28
+CN1CCC(C(=O)OCc2ccc(Br)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289302,5.59
+CN1CCC(C(=O)OCc2ccc(I)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289303,5.46
+CN1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1289420,5.25
+CN1CCC(C(=O)OCc2ccccc2)(c2ccc(-c3ccccc3)cc2)CC1,CHEMBL1289421,5.64
+O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289533,6.04
+COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1,CHEMBL1289534,5.9
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289642,5.89
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289643,5.54
+O=C(OCc1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL1289747,5.65
+O=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1,CHEMBL1289748,5.96
+COc1ccc(COC(=O)C2(c3ccc(I)cc3)CCNCC2)cc1,CHEMBL1289854,5.53
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1289855,5.75
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc(I)cc2)CCNCC1,CHEMBL1289972,5.36
+COc1ccc(COC(=O)C2(c3ccc4ccccc4c3)CCNCC2)cc1,CHEMBL1289973,6.05
+O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290067,6.14
+O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc3ccccc3c2)CCNCC1,CHEMBL1290068,5.49
+CN1CCC(C(=O)OCc2ccc3ccccc3c2)(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1290174,5.31
+NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,CHEMBL1201192,5.49
+NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1,CHEMBL1672355,5.12
+NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL1672356,5.8
+NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672357,5.65
+NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672358,5.71
+NC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL1672359,5.66
+NC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672360,6.04
+NC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672361,6.22
+CN(C)C(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL1672362,4.78
+CN(C)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL1672363,5.02
+CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672364,5.35
+CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672365,5.61
+CN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672368,4.46
+CN(C)C(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672369,4.67
+CNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672370,5.61
+CNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL1672371,5.78
+O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1,CHEMBL1672372,5.58
+O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL1672374,6.71
+CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL1672377,5.54
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccccc1,CHEMBL1773302,6.84
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccccc1,CHEMBL1773303,7.27
+O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1,CHEMBL1773304,7.14
+O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1,CHEMBL1773305,6.97
+COc1cccc([C@@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773306,6.9
+COc1cccc([C@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773307,6.86
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccccn3)CO2)cc1,CHEMBL1773308,6.68
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccnc3)CO2)cc1,CHEMBL1773309,6.84
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1,CHEMBL1773310,7.55
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccc4ccccc34)CO2)cc1,CHEMBL1773311,6.33
+Oc1ccccc1CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1,CHEMBL1773296,6.7
+Oc1cccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1,CHEMBL1773297,7.5
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccs3)CO2)cc1,CHEMBL1773298,7.38
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccco3)CO2)cc1,CHEMBL1773299,6.96
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc[nH]3)CO2)cc1,CHEMBL1773300,7.36
+COc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL1773301,7.8
+CN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccccc1)c1ccccc1)C2,CHEMBL1927860,6.89
+CN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927861,7.72
+C(\COC(c1ccccc1)c1ccccc1)=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccccc1,CHEMBL1927866,7.32
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL1927867,8.1
+CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccccc1)c1ccccc1)C2,CHEMBL1927868,6.54
+CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927869,7.4
+CCCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccccc1)c1ccccc1)C2,CHEMBL1927870,6.61
+CCCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927871,7.39
+C=CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccccc1)c1ccccc1)C2,CHEMBL1927872,6.84
+C=CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL1927873,7.68
+C#CCN1[C@H]2CC[C@@H]1C/C(=C\COC(c1ccccc1)c1ccccc1)C2,CHEMBL1927874,6.27
+C(\COC(c1ccccc1)c1ccccc1)=C1/C[C@@H]2CC[C@H](C1)N2CC1CC1,CHEMBL1927876,6.77
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1,CHEMBL1927877,8.4
+Fc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927878,8.15
+Fc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL1927879,8.31
+Clc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927880,8.12
+Fc1ccc(C(OC/C=C2/C[C@@H]3CC[C@H](C2)N3Cc2ccc(Cl)cc2)c2ccc(F)cc2)cc1,CHEMBL1927881,8.41
+Cc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccccc2)c2ccccc2)C3)cc1,CHEMBL1927882,7.89
+Cc1ccc(CN2[C@H]3CC[C@@H]2C/C(=C\COC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1,CHEMBL1927883,8.21
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402556,6.36
+CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402555,5.64
+CN1CC(OCc2ccccc2)(c2ccc(Cl)c(Cl)c2)C1,CHEMBL2402554,6.21
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)cc2)C1,CHEMBL2402553,6.01
+CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1,CHEMBL2402552,5.69
+CN1CC(OCc2ccccc2)(c2ccc(Cl)cc2)C1,CHEMBL2402551,5.85
+CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1,CHEMBL2402550,5.92
+CN1CC(OCc2ccc(Cl)cc2)(c2ccccc2)C1,CHEMBL2402549,5.41
+CN1CC(OCc2ccccc2)(c2ccccc2)C1,CHEMBL2402548,5.76
+Clc1ccc(COC2(c3ccc(Cl)c(Cl)c3)CNC2)cc1Cl,CHEMBL2402547,5.44
+Clc1ccc(COC2(c3ccc(Cl)c(Cl)c3)CNC2)cc1,CHEMBL2402546,5.52
+Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl,CHEMBL2402545,5.89
+Clc1ccc(C2(OCc3ccc(Cl)c(Cl)c3)CNC2)cc1,CHEMBL2402544,5.42
+Clc1ccc(COC2(c3ccc(Cl)cc3)CNC2)cc1,CHEMBL2402543,5.42
+Clc1ccc(C2(OCc3ccccc3)CNC2)cc1,CHEMBL2402560,5.5
+Clc1ccc(COC2(c3ccccc3)CNC2)cc1Cl,CHEMBL2402559,5.55
+Clc1ccc(COC2(c3ccccc3)CNC2)cc1,CHEMBL2402558,5.44
+c1ccc(COC2(c3ccccc3)CNC2)cc1,CHEMBL2402557,5.31
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,5.58
+Clc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL3093270,6.32
+Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL3093269,8.22
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,10.4
+Clc1ccccc1N1CCN(CCc2ccccc2)CC1,CHEMBL3093268,9.89
+c1ccc(CCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL145867,5.04
+Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1,CHEMBL3099495,7.49
+Fc1ccc(C(c2ccc(F)cc2)[C@@H]2CC[C@H](NCc3ccc4c(c3)CCO4)CO2)cc1,CHEMBL3099494,7.95
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1,CHEMBL3099493,7.42
+c1ccc(CCN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099492,6.34
+Oc1ccc(CN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099491,5.43
+c1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099490,6.19
+Fc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099489,6.23
+COc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099488,6.58
+Oc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099487,6.59
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1,CHEMBL3099486,6.03
+Oc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)OC2)cc1,CHEMBL3099485,6.04
+Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL3099502,7.34
+Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1,CHEMBL3099501,6.61
+O=S(CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126719,5.9
+O=S(CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126718,6.19
+O=S(CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126717,6.74
+CCCCNCCS(=O)C(c1ccccc1)c1ccccc1,CHEMBL3126716,5.8
+NCCS(=O)C(c1ccccc1)c1ccccc1,CHEMBL3126737,5.95
+Brc1ccc(C(SCCNCCCc2ccccc2)c2ccc(Br)cc2)cc1,CHEMBL3126736,6.21
+Fc1ccc(C(SCCNCCCc2ccccc2)c2ccc(F)cc2)cc1,CHEMBL3126735,6.94
+c1ccc(CCCNCCSC(c2ccccc2)c2ccccc2)cc1,CHEMBL3126734,6.53
+CCCCNCCSC(c1ccccc1)c1ccccc1,CHEMBL3126733,6.51
+c1ccc(C(SCCNCC2CC2)c2ccccc2)cc1,CHEMBL3126732,6.36
+NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126731,6.32
+NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126730,6.53
+NCCSC(c1ccccc1)c1ccccc1,CHEMBL1516187,6.85
+O=C(CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1)NCCCc1ccccc1,CHEMBL3126729,5.89
+CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1,CHEMBL3126728,4.88
+NC(=O)CS(=O)C(c1ccccc1)c1cccc(Br)c1,CHEMBL3126727,6.26
+NC(=O)CS(=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1,CHEMBL3126726,6.06
+NC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1,CHEMBL3126725,5.23
+NC(=O)CS(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,CHEMBL3126724,4.45
+Cc1ccc(C(c2ccc(C)cc2)S(=O)CC(N)=O)cc1,CHEMBL3126723,4.9
+O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCCCCc1ccccc1,CHEMBL3126722,6.39
+O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1,CHEMBL3126721,5.94
+O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCCCc1ccccc1,CHEMBL3126720,6.62
+O=C(CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCCCc1ccccc1,CHEMBL3126747,6.65
+O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCCCc1ccccc1,CHEMBL3126746,6.35
+O=C(CSC(c1ccccc1)c1ccccc1)NCCCc1ccccc1,CHEMBL3126745,5.69
+CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126744,6.14
+CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126743,5.19
+CCCCNC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126742,4.63
+O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCC1CC1,CHEMBL3126741,6.01
+NC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126748,4.91
+NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1,CHEMBL3126749,6.56
+CNC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126750,4.71
+CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126751,5.38
+CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126752,5.52
+C=CCNC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126753,5.08
+CCCNC(=O)CSC(c1ccccc1)c1ccccc1,CHEMBL3126754,4.68
+CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL3126755,4.93
+CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CHEMBL3126756,5.91
+CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1,CHEMBL3126738,6.23
+O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1,CHEMBL3126739,4.87
+O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCC1CC1,CHEMBL3126740,5.17
+CC(=O)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,CHEMBL3349204,5.63
+c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc4occc4c3)CO2)cc1,CHEMBL3397792,7.09
+O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397793,6.63
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)ccc1O,CHEMBL3397794,6.78
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1O,CHEMBL3397795,7.23
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397796,6.68
+Oc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397797,6.59
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1,CHEMBL3397798,6.42
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cn1,CHEMBL3397799,7.36
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1F,CHEMBL3397800,7.32
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c(F)c1,CHEMBL3397801,7.29
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2occc2c1,CHEMBL3397802,7.53
+COc1cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)ccc1O,CHEMBL3397803,8.05
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)CCO2,CHEMBL3397804,7.77
+COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397805,7.59
+O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2c(c1)OCO2,CHEMBL3397806,7.43
+COc1cccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)c1,CHEMBL3397807,7.25
+COc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cn1,CHEMBL3397808,7.7
+Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2O)cc1F,CHEMBL3397809,7.88
+Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1,CHEMBL3397810,7.54
+Cc1ccc(C23CC2CN(C)C3)cc1F,CHEMBL3698970,6.57
+CCCCN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695486,6.62
+CC(C)N1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3698961,7.14
+CCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695484,6.66
+CC(C)N1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695491,7.6
+CCCN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695483,6.6
+Cc1cc(C23CC2CN(C)C3)ccc1F,CHEMBL3698969,5.66
+CC(C)CN1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695489,5.96
+CC(C)N1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695490,7.41
+CN1CC2CC2(c2ccc(F)c(Cl)c2)C1,CHEMBL3698967,6.19
+CCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695482,7.34
+CCCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695485,6.77
+Fc1ccc(C23CNCC2C3)cc1Cl,CHEMBL3698966,6.17
+CN1CC2CC2(c2ccc3ccccc3c2)C1,CHEMBL3698973,7.17
+CN1CC2CC2(c2ccc(F)c(F)c2)C1,CHEMBL3698965,5.72
+CCCCN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695488,6.67
+CCCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695487,6.4
+CN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695479,6.98
+CC(C)(C)N1CC2CC2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3698963,6.38
+CN1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695480,7.21
+Clc1ccc(C23CC2CN(C2CC2)C3)cc1Cl,CHEMBL3698962,5.77
+CCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1,CHEMBL3695481,7.89
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL333465,5.98
+COc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1,CHEMBL2381721,5.84
+CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2)cc1,CHEMBL3793895,5.83
+CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2C)cc1,CHEMBL3793722,5.67
+CN1[C@H](CCc2ccc(O)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793401,5.87
+Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(O)cc3)N2)cc1,CHEMBL3793321,6.06
+OC[C@H](O)CN1[C@H](CCc2ccc(O)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793365,5.84
+Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1,CHEMBL3793860,5.78
+FCCOc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OCCF)cc3)N2)cc1,CHEMBL3793720,5.78
+CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3792786,5.53
+CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(OCCF)cc1,CHEMBL3792927,5.46
+OC[C@H](O)CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(O)cc1,CHEMBL3793787,5.26
+OC[C@H](O)CN1[C@H](CCc2ccc(OCCF)cc2)CCC[C@@H]1CCc1ccc(OCCF)cc1,CHEMBL3793460,5.43
diff --git a/chembl_200/CHEMBL339.csv b/chembl_200/CHEMBL339.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4a90b7f94f506854773563897fe52341c59ffb94
--- /dev/null
+++ b/chembl_200/CHEMBL339.csv
@@ -0,0 +1,2145 @@
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(O)c3ccc(=O)cc-3[nH]c2=O)CC1,CHEMBL46683,6.79
+Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2,CHEMBL151809,5.91
+CN1CCN(C2=Nc3cccnc3Oc3ccc(Cl)cc32)CC1,CHEMBL149240,6.44
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ncccc32)CC1,CHEMBL147463,5.92
+CN1CCN(C2=Nc3cccnc3Sc3ccccc32)CC1,CHEMBL435441,5.18
+CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1,CHEMBL63756,6.88
+CN1CCN(C2=Nc3cccnc3Sc3ccc(Cl)cc32)CC1,CHEMBL433744,6.58
+CN1CCN(C2=Nc3ccccc3Oc3ncccc32)CC1,CHEMBL146741,4.83
+CN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1,CHEMBL149108,4.96
+CN1CCN(C2=Nc3ccccc3Sc3ncccc32)CC1,CHEMBL356076,5.39
+CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL304902,8.355
+CN1CCN(C2=Nc3cnccc3Sc3ccccc32)CC1,CHEMBL151263,5.64
+CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1,CHEMBL67284,7.52
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,6.82
+CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607331,5.13
+C1=C(c2ccccc2)CCN(CCCCc2c[nH]c3ccccc23)C1,CHEMBL44231,8.19
+CCCN1CCC[C@H](c2cccc(O)c2)C1,CHEMBL7393,6.72
+Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2,CHEMBL24077,5.287000000000001
+CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL422,8.66
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,CHEMBL219916,9.26
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,6.726
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,CHEMBL25856,5.85
+CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21,CHEMBL240773,7.235
+CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1F,CHEMBL101910,7.82
+Oc1ccc(OCCNCc2ccccc2)cc1,CHEMBL100461,6.95
+Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL103900,6.92
+CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl,CHEMBL102490,8.405
+Oc1ccccc1N1CCN(Cc2ccccc2)CC1,CHEMBL100952,7.06
+CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1F,CHEMBL323118,7.86
+CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1Cl,CHEMBL99913,8.66
+Nc1cc(OCCNCc2ccccc2)ccc1Cl,CHEMBL319816,6.63
+CCCN(CCC)[C@@H]1CCc2c(C#N)cccc2[C@@H]1C,CHEMBL161812,5.18
+CCCN[C@@H]1CCc2c(C#N)cccc2[C@@H]1C,CHEMBL161921,4.78
+CN1CCOc2c(C(=O)NC[C@H]3CCCN3Cc3ccccc3)cc(Cl)cc21,CHEMBL22468,6.68
+CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL21802,8.19
+CN1CCOc2c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL281363,6.1
+CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL280912,6.74
+CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL21940,7.04
+CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL22772,8.42
+CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL21819,7.8
+CCCCN1CCC[C@H]1CNC(=O)c1cc(SC)cc2c1OCCN2C,CHEMBL21971,8.44
+CSc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2,CHEMBL22835,6.57
+CN1CCOc2c(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)cc(Cl)cc21,CHEMBL21386,6.51
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL22306,7.72
+CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCC2,CHEMBL278838,7.08
+CN1CCOc2c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)cc(Cl)cc21,CHEMBL279937,7.24
+CSc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2,CHEMBL278151,8.38
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(SC)cc2c1OCCN2C,CHEMBL21318,7.77
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL278762,6.64
+CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL284027,6.12
+CCCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc2c1OCCN2C,CHEMBL280879,6.17
+CCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL22857,7.29
+CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL283528,7.92
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL279729,6.2
+CCCCN1CCCC1CNC(=O)c1cccc2c1OCCN2C,CHEMBL22465,6.57
+CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C,CHEMBL22777,6.16
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCC(O)C3)c2)CC1,CHEMBL58053,8.06
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL10085,8.66
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1,CHEMBL61096,7.96
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3O)c2)CC1,CHEMBL58517,8.05
+CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL303313,9.4
+CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64249,9.3
+CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,CHEMBL64875,8.375
+CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL288096,10.28
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1,CHEMBL35057,8.675
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,CHEMBL12713,9.35
+CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl,CHEMBL20734,9.8
+COc1ccccc1N1CCN(CCCC2CCCc3c(OC)cccc32)CC1,CHEMBL26929,8.15
+COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1,CHEMBL444590,6.93
+COc1ccccc1N1CCN(CCCCC2CCCc3c(OC)cccc32)CC1,CHEMBL28209,8.3
+COc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1,CHEMBL28063,6.6
+COc1ccccc1N1CCN(CCNC(=O)C2CCCc3c(OC)cccc32)CC1,CHEMBL26426,6.82
+O=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1,CHEMBL302000,8.62
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL313744,8.85
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL85580,10.22
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314372,9.3
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL262167,8.52
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314813,8.92
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1,CHEMBL87745,7.52
+O=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL312982,7.0
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1,CHEMBL433345,7.0
+COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1,CHEMBL314371,8.3
+COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL314814,8.3
+COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,CHEMBL87469,8.7
+CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,CHEMBL89934,6.28
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,CHEMBL51,6.375
+COc1cccc2c1OC(CNCC1CCN(c3ncccn3)CC1)CO2,CHEMBL112345,7.12
+c1cnc(N2CCC(CNC[C@@H]3COc4ccccc4O3)CC2)nc1,CHEMBL2111750,7.23
+COc1cccc2c1OCC(CNCC1CCN(c3ncccn3)CC1)O2,CHEMBL115990,7.19
+COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1,CHEMBL114852,7.16
+COc1cccc(N2CCC(CNCC3COc4ccccc4O3)CC2)c1,CHEMBL114331,7.27
+COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,CHEMBL418854,7.36
+COc1ccccc1N1CCC(CNCC2COc3cccc(O)c3O2)CC1,CHEMBL115931,7.6
+c1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCC4)CC1)O2,CHEMBL324403,7.51
+COc1ccccc1N1CCC(CNCC2COc3cccc(F)c3O2)CC1,CHEMBL322560,7.55
+Clc1ccccc1N1CCC(CNCC2COc3ccccc3O2)CC1,CHEMBL112526,7.52
+COc1ccccc1N1CCC(CNC[C@H]2COc3ccccc3O2)CC1,CHEMBL2112546,7.59
+c1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCCO4)CC1)O2,CHEMBL115599,7.64
+c1cnc(NCCNCC2COc3ccccc3O2)nc1,CHEMBL430698,7.8
+CN(CC1CCN(c2ncccn2)CC1)CC1COc2ccccc2O1,CHEMBL114836,6.59
+CC1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1,CHEMBL324985,7.01
+COc1ccc(N2CCC(CNCC3COc4ccccc4O3)CC2)cc1,CHEMBL111810,7.44
+c1ccc(N2CCC(CNCC3COc4ccccc4O3)CC2)nc1,CHEMBL112697,7.595
+c1cnc(N2CCC(CNC[C@H]3COc4ccccc4O3)CC2)nc1,CHEMBL2112547,7.59
+c1ccc(N2CCC(CNCC3COc4ccccc4O3)CC2)cc1,CHEMBL112033,7.41
+CC1Oc2ccccc2OC1CNCC1CCN(c2ncccn2)CC1,CHEMBL419397,6.95
+COc1ccccc1N1CCC(CNC[C@@H]2COc3ccccc3O2)CC1,CHEMBL2111751,7.19
+NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143512,6.18
+CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143967,6.3
+CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143767,6.27
+CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12,CHEMBL143510,6.2
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,CHEMBL6437,6.04
+O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL135974,5.62
+COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,CHEMBL13647,7.428
+O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL134428,5.21
+O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1,CHEMBL132378,5.95
+COc1cccc(OC)c1OCCNCC1COc2ccccc2O1,CHEMBL25554,6.91
+O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1,CHEMBL135973,5.62
+CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C,CHEMBL76480,4.97
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC,CHEMBL27013,5.63
+CCN1CCc2cc(OC)cc3c2C1Cc1ccccc1O3,CHEMBL155002,5.07
+COc1cc2c3c(c1)Oc1ccccc1CC3N(C)CC2,CHEMBL154948,5.03
+CCN1CCc2cccc3c2C1Cc1cc(OC)ccc1O3,CHEMBL348465,5.73
+COc1ccc2c(c1)CC1c3c(ccc(Br)c3CCN1C)O2,CHEMBL156011,6.07
+COc1ccc2c(c1)CC1c3c(cccc3O2)CCN1C,CHEMBL157799,5.91
+CCN1CCc2cc(O)cc3c2C1Cc1ccccc1O3,CHEMBL439639,5.19
+CN1CCc2cccc3c2C1Cc1cc(O)ccc1O3,CHEMBL155352,6.14
+COc1cc(Br)c2c(c1)CCN(C)C2Cc1ccccc1O,CHEMBL158067,5.15
+CN1CCc2cc(O)cc3c2C1Cc1ccccc1O3,CHEMBL155208,6.565
+CCCN1CCc2cc(OC)cc3c2C1Cc1ccccc1O3,CHEMBL346792,5.46
+COc1cc(Br)cc2c1C(Cc1ccccc1O)N(C)CC2,CHEMBL350471,5.74
+CCN1CCc2cc(Br)cc(OC)c2C1Cc1ccccc1O,CHEMBL422169,5.66
+CCN1CCc2cc(OC)cc(Br)c2C1Cc1ccccc1O,CHEMBL347243,5.51
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL48205,6.89
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12,CHEMBL52384,7.32
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL52096,7.34
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12,CHEMBL265805,6.49
+Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL51681,7.09
+COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1,CHEMBL298108,7.75
+COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12,CHEMBL48194,6.25
+COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL51767,7.93
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cc[nH]n3)n2)CC1,CHEMBL45101,6.01
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1,CHEMBL297138,6.06
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1,CHEMBL46467,5.47
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1,CHEMBL46512,5.47
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCC3)n2)CC1,CHEMBL298260,6.22
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3cccc(Cl)c3)CC2)n1,CHEMBL42766,6.21
+CN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL42994,6.28
+CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL44118,6.4
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1,CHEMBL45423,6.51
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cccs3)n2)CC1,CHEMBL288244,6.34
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1,CHEMBL44659,5.65
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL46971,6.48
+Cc1ccc(C(=O)N2CCC(F)(CNCc3cccc(N(C)C)n3)CC2)cc1Cl,CHEMBL295662,6.89
+O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL42393,5.65
+CNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL44904,5.51
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL43146,5.92
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1,CHEMBL42294,6.34
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cccs3)n2)CC1,CHEMBL42618,6.54
+CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1,CHEMBL360319,6.56
+O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cc[nH]n3)n2)CC1,CHEMBL46582,5.39
+O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3,CHEMBL69257,6.98
+O=C(CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1)c1ccc(F)cc1,CHEMBL72649,7.11
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21,CHEMBL308480,7.68
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1,CHEMBL310734,7.6
+O=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21,CHEMBL73675,7.13
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1,CHEMBL310153,8.19
+CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL303993,5.73
+CCCN1CCc2cc(Cl)c(O)cc2C1c1ccccc1,CHEMBL300778,5.72
+CN1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL299056,6.28
+CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1,CHEMBL60706,6.587000000000001
+CN1CCc2cc(O)c(O)cc2C1c1ccccc1,CHEMBL135318,6.53
+Oc1cc2c(cc1Cl)CNCC2c1ccccc1,CHEMBL57988,5.44
+CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1,CHEMBL293158,4.715
+CN1CCc2cc(Br)c(O)cc2[C@@H]1c1ccccc1,CHEMBL334350,5.88
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21,CHEMBL143027,8.02
+O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1,CHEMBL142668,6.39
+O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21,CHEMBL357517,5.14
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21,CHEMBL143022,7.02
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21,CHEMBL333174,6.85
+COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1,CHEMBL121744,5.81
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21,CHEMBL120903,6.25
+COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC,CHEMBL342062,5.08
+COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC,CHEMBL341665,5.71
+CCCN(CCC)CCc1ccc(O)c(O)c1,CHEMBL15564,7.65
+CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,CHEMBL308295,8.49
+Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL310997,8.21
+Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL80686,7.83
+Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CHEMBL588,7.88
+CCCCN1CCCC1Cc1ccc(O)c(O)c1,CHEMBL80369,8.5
+Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O,CHEMBL80974,8.05
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL119687,8.225
+CN1CCN(C2Cn3cccc3Sc3ccccc32)CC1,CHEMBL333246,7.125
+CN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL2111781,8.685
+CN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL332600,7.63
+CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL333455,8.02
+CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL368324,7.3
+CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CHEMBL93240,9.4
+CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118889,8.51
+OCCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL116542,8.3
+OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL118919,7.66
+CCN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL333955,8.4
+CN1CCCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL118092,7.525
+CN1CCN(C2Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL121274,8.44
+COc1cccc2c1C(CCCN1CCN(c3ccccn3)CC1)=CCC2,CHEMBL8617,7.53
+O=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2,CHEMBL35565,8.38
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(F)cc2N1,CHEMBL35040,8.38
+CCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,CHEMBL287605,8.525
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,CHEMBL708,8.32
+O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1,CHEMBL35743,8.42
+O=c1[nH]c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2s1,CHEMBL284847,8.29
+CC1(C)C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,CHEMBL37633,8.51
+O=c1[nH]c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2o1,CHEMBL35085,8.2
+COc1ccc2c(c1)CCC=C2CCCN1CCN(c2ccccc2OC)CC1,CHEMBL269612,7.65
+c1ccc2c(c1)CC2CCCCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131900,7.71
+c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCCO4)CC1)C2,CHEMBL127216,6.71
+c1ccc2c(c1)CCC2CN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL131011,7.38
+c1ccc2c(c1)CC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL130276,7.31
+c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2,CHEMBL49247,6.46
+COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1,CHEMBL38288,6.58
+Clc1cccc2c1CC2CCN1CCN(c2cccc3c2OCCO3)CC1,CHEMBL341390,7.22
+COc1cc2c(cc1OC)C(CCN1CCN(c3cccc4c3OCCO4)CC1)CC2,CHEMBL133188,6.88
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2,CHEMBL155006,7.55
+CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,CHEMBL460,7.48
+CCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2,CHEMBL349997,6.23
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1,CHEMBL87026,7.33
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1,CHEMBL87717,7.15
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1,CHEMBL87458,7.32
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL87943,7.32
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(CCCC(=O)c3ccc(F)cc3)CC1)C2,CHEMBL163605,6.55
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2,CHEMBL349832,6.02
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,CHEMBL163012,7.04
+CCc1c(C)[nH]c2c1C(=O)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL162901,6.2
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1,CHEMBL558817,6.76
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21,CHEMBL544319,6.5
+O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21,CHEMBL539544,7.26
+COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL540822,6.79
+COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1,CHEMBL92145,7.64
+COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1,CHEMBL544318,6.49
+O=C1c2ccsc2CC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL554199,7.7
+O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1,CHEMBL542428,6.57
+O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21,CHEMBL545727,5.98
+COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1,CHEMBL542181,6.19
+O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1,CHEMBL544089,6.49
+O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95098,7.17
+O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL96781,7.04
+O=C1c2sccc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL541842,7.36
+O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1,CHEMBL544091,6.68
+O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL543613,7.34
+O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL545488,6.65
+O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1,CHEMBL92673,6.39
+O=C(CCCN1CCN(CCC2Cc3sccc3C2=O)CC1)c1ccc(F)cc1,CHEMBL95112,6.58
+COc1ccccc1N1CCN(CCNC(=O)c2cccs2)CC1,CHEMBL419910,7.785
+COc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1,CHEMBL26447,6.27
+COc1ccccc1N1CCN(CCNC(=N)C2CCCCC2)CC1,CHEMBL107903,6.895
+COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1,CHEMBL108229,7.77
+COc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1,CHEMBL104204,7.12
+COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1,CHEMBL104593,6.502999999999999
+COc1ccccc1N1CCN(CCCOc2ccc(F)cc2)CC1,CHEMBL105747,8.49
+COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,CHEMBL58377,8.318
+COc1ccccc1N1CCN(CCNC(C)=O)CC1,CHEMBL104591,5.98
+COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1,CHEMBL104515,8.485
+COc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1,CHEMBL104805,8.395
+COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1,CHEMBL278799,7.195
+COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1,CHEMBL105345,8.49
+COc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1,CHEMBL323982,8.0
+COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL58792,8.567
+COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1,CHEMBL107141,8.195
+COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1,CHEMBL107336,6.6
+COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1,CHEMBL106854,7.895
+CSc1ccc2c(c1)C(CCN)=CC2,CHEMBL122536,9.7
+COc1ccc(CCNCCOc2cc(F)cc3c2OCCC3O)cc1,CHEMBL96517,8.52
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c2ccccc12,CHEMBL317532,6.82
+COc1ccccc1CCCCNCCOc1cc(F)cc2c1OCCC2=O,CHEMBL96901,7.63
+CCCN(CCCCc1ccc2c(c1)OCO2)CCOc1cc(F)cc2c1OCCC2=O,CHEMBL316593,5.81
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC/C3=N/O)cc1,CHEMBL96858,7.93
+COc1ccc(CCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96435,7.42
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3OC)cc1,CHEMBL318418,8.04
+O=C1CCOc2c(OCCNCCCCc3ccccc3)cc(F)cc21,CHEMBL330714,7.36
+O=C1CCOc2c(OCCNCCCCc3ccc(O)cc3)cc(F)cc21,CHEMBL319575,7.63
+COc1ccc(CCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96578,8.09
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCO4)cc(F)cc21,CHEMBL94317,7.38
+CCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL329675,7.26
+COc1cccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c1,CHEMBL94428,6.95
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3)cc1,CHEMBL25213,9.59
+COc1ccc(CCCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96546,8.64
+CSc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96266,7.41
+CN(C)c1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL94957,7.46
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)CCO4)cc(F)cc21,CHEMBL318417,7.3
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL96222,9.51
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC=C3)cc1,CHEMBL419147,9.54
+N#Cc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL96903,7.15
+O=C1CCOc2c(OCCNCCCCc3ccc(Cl)cc3)cc(F)cc21,CHEMBL96265,7.49
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1,CHEMBL93030,7.21
+COc1ccc(CCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL92651,8.3
+O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCCO4)cc(F)cc21,CHEMBL93503,7.6
+COc1ccc(CCCCCNCCOc2cc(F)cc3c2OC(C)CC3)cc1,CHEMBL95044,8.52
+COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)(C)CC3)cc1,CHEMBL96279,9.83
+CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1,CHEMBL22778,6.273
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL10417,7.0
+CC(C)Oc1ccccc1N1CCN(Cc2ccccc2CN2CCCCC2=O)CC1,CHEMBL10105,7.34
+CC(C)Oc1ccccc1N1CCN(Cc2ccccc2C(=O)N2CCCCC2)CC1,CHEMBL10327,7.43
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1,CHEMBL275045,7.64
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL428175,9.064
+CCCN(CCC)C1CCc2cccc(OC)c2C1,CHEMBL11760,6.8
+CN1CCN(C2=Nc3ccccc3N(C=O)c3ncccc32)CC1,CHEMBL292738,4.0
+CN1CCN(C2=Nc3cnccc3Nc3ccccc32)CC1,CHEMBL66730,5.4
+CN1CCN(C2=Nc3cccnc3Nc3cc(Cl)ccc32)CC1,CHEMBL304493,5.99
+Cc1cnc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2,CHEMBL63590,6.53
+CN1CCN(C2=Nc3ccccc3N(C=O)c3ccncc32)CC1,CHEMBL65768,4.62
+CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,CHEMBL63576,6.93
+CN1CCN(C2=Nc3cccnc3N(C)c3ccccc32)CC1,CHEMBL63390,4.57
+CN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1,CHEMBL67298,6.35
+CN1CCN(C2=Nc3cccnc3N(C=O)c3ccccc32)CC1,CHEMBL303435,4.0
+CN1CCN(C2=Nc3cccnc3Nc3ccccc32)CC1,CHEMBL303173,5.44
+CN1CCN(C2=Nc3cccnc3Nc3ccc(F)cc32)CC1,CHEMBL63347,5.81
+CN1CCN(C2=Nc3ccccc3Nc3ncccc32)CC1,CHEMBL67355,5.71
+Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,CHEMBL63329,6.28
+CCCN1CCC[C@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL450863,6.46
+Oc1cccc2c1CC[C@@H]1NCCC[C@@H]21,CHEMBL56519,7.42
+COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1,CHEMBL175082,9.37
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,CHEMBL76402,10.19
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1O,CHEMBL283099,9.26
+CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC,CHEMBL171921,9.82
+COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1,CHEMBL2096749,9.1
+COc1cc(Br)c(O)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1OC,CHEMBL435670,9.72
+COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC,CHEMBL75842,9.51
+COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC,CHEMBL123282,9.2
+COc1cc(Br)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC,CHEMBL176458,10.62
+CCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1OC,CHEMBL295621,7.18
+CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,CHEMBL1907915,8.18
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC,CHEMBL1907690,8.08
+CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC,CHEMBL305916,9.12
+CCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O,CHEMBL1907702,10.48
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC,CHEMBL1907692,10.06
+C1=C(c2ccccc2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1,CHEMBL418937,6.39
+CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC,CHEMBL8945,7.51
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1O,CHEMBL267723,9.383
+O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL151475,7.92
+COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1,CHEMBL140406,6.9
+CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL41238,7.0
+CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL38757,5.68
+CCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL44414,6.84
+CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL289867,6.35
+CC(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL446350,5.76
+CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL288846,5.59
+Oc1cc2c(cc1O)[C@@H]1c3sc(C4CCCCC4)cc3CN[C@H]1CC2,CHEMBL41196,5.82
+CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL289927,6.27
+CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL41809,5.75
+Oc1cc2c(cc1O)[C@@H]1c3sc(Cl)cc3CN[C@H]1CC2,CHEMBL290842,6.84
+Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2,CHEMBL43514,5.59
+CCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114444,6.46
+Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2,CHEMBL287931,6.25
+Oc1cc2c(cc1O)[C@@H]1c3cc(Cl)sc3CN[C@H]1CC2,CHEMBL39266,6.52
+Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2,CHEMBL542593,5.55
+CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL291100,6.04
+NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL291143,5.74
+Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2,CHEMBL554571,5.99
+Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114440,6.62
+Oc1cc2c(cc1O)[C@@H]1c3ccsc3CN[C@H]1CC2,CHEMBL40950,5.89
+CCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL40667,6.82
+CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL417164,5.88
+CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL542351,7.29
+CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL28338,6.1
+CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21,CHEMBL2115373,5.42
+Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@H]1CC2,CHEMBL288536,6.47
+Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2,CHEMBL41132,6.69
+Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3CN[C@H]1CC2,CHEMBL290149,5.51
+CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21,CHEMBL2114441,5.86
+CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL119455,6.97
+CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL416288,7.23
+CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC,CHEMBL49897,8.52
+NC1CCc2cc(O)c(O)cc2C1,CHEMBL26736,7.18
+CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,CHEMBL531,9.0
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,CHEMBL1729,6.64
+OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,CHEMBL716,6.74
+CCCN1CC[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL430332,6.11
+CCCN1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21,CHEMBL11388,6.06
+CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl,CHEMBL274491,9.92
+CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2c1OCC2,CHEMBL301532,8.41
+Fc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL64344,7.82
+CSc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL34990,5.99
+c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1,CHEMBL35184,6.06
+FC(F)(F)c1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1,CHEMBL286849,5.65
+O=C1C2C3C=CC(C4C=CC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1204094,6.46
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86931,6.1
+Oc1cc2c(cc1O)C(c1ccccc1)CNCC2,CHEMBL286080,5.16
+CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL301559,6.47
+CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL267932,9.93
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1I,CHEMBL307023,8.82
+C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL347514,4.95
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL20377,5.95
+CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1,CHEMBL143089,5.89
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCCC1,CHEMBL356688,5.17
+CN(CCc1cccc(Cl)c1)CCN1CCCC1,CHEMBL142596,5.19
+CCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL141501,5.78
+CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1,CHEMBL143178,5.52
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCC1,CHEMBL142700,5.92
+COc1ccccc1N1CCN(CCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL2112361,6.65
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL195047,6.38
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL195849,6.58
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112362,5.9
+COc1ccccc1N1CCN(CCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL2112360,5.88
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL191907,7.03
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O,CHEMBL2112359,6.78
+COc1ccccc1N1CCN(CCCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1,CHEMBL193867,6.49
+Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O,CHEMBL193595,6.37
+Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O,CHEMBL2112351,6.74
+COc1ccccc1N1CCN(CCCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1,CHEMBL425567,5.93
+CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,CHEMBL97333,6.27
+C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,CHEMBL98241,6.01
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL97242,6.72
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL327527,6.18
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1,CHEMBL97650,7.04
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL313424,5.64
+Cn1nnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL330603,7.8
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cn[nH]n4)cc23)CC1,CHEMBL97422,7.1
+Cn1ccnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL318735,6.7
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1,CHEMBL329280,6.24
+Cn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL328940,7.07
+O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL95175,6.4
+Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL328048,7.54
+Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL319352,6.85
+N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL317333,6.31
+Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL93923,6.31
+CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL330171,7.07
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,CHEMBL421573,6.64
+CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL318249,7.37
+Cn1cnnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL327662,6.37
+Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL98299,7.22
+Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,CHEMBL97184,7.7
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nn[nH]n4)cc23)CC1,CHEMBL95169,6.85
+Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,CHEMBL318901,6.43
+Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,CHEMBL328187,6.51
+O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1,CHEMBL94612,6.85
+CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC,CHEMBL278044,8.03
+CCN1CCCC1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1,CHEMBL277631,7.54
+O=C(NCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL62499,6.32
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCN(c4ccccc4OC)CC3)[nH]2)c1,CHEMBL60648,8.145
+COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1,CHEMBL418140,9.03
+OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1,CHEMBL59186,5.96
+CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)[nH]2)c1,CHEMBL65107,6.82
+CN(C)CCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL114375,5.42
+COc1cc2c(cc1Br)CCN(C/C=C/c1ccc(N(C)C)cc1)CC2c1ccccc1,CHEMBL114143,5.7
+CN(C)c1ccc(/C=C/CN2CCc3cc(Cl)c(O)cc3C(c3ccccc3)C2)cc1,CHEMBL114228,6.46
+CN(C)c1ccc(/C=C/CN2CCc3cc(Br)c(O)cc3C(c3ccccc3)C2)cc1,CHEMBL326927,6.07
+COc1cc2c(cc1Cl)CCN(C/C=C/c1ccc(N(C)C)cc1)CC2c1ccccc1,CHEMBL423510,5.77
+CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL108764,5.42
+Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12,CHEMBL90476,7.74
+COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1,CHEMBL20748,7.61
+COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1,CHEMBL164169,9.55
+CN(C(=O)Cc1cc(Cl)c(Cl)cc1N)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607449,5.81
+COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1,CHEMBL136936,6.82
+COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1,CHEMBL134743,5.6
+COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1,CHEMBL135878,6.3
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc12,CHEMBL288623,6.66
+O=c1cc(-c2ccccc2Cl)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL289767,5.39
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCOCC3)cc12,CHEMBL38322,4.74
+O=c1cc(-c2cccc(Cl)c2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL38514,5.19
+CN(CCO)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL38897,5.35
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCNCC3c3ccccn3)cc12,CHEMBL37468,5.52
+CN(C)CCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL38983,5.44
+O=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL36928,5.4
+CN(CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Cc1ccccc1,CHEMBL38809,5.74
+COc1ccc(-c2cc(=O)c3cc(OCCCCCN4CCC(O)CC4)ccc3o2)cc1,CHEMBL38023,5.38
+O=c1cc(-c2ccccc2)oc2cccc(OCCCCCCN3CCC(O)CC3)c12,CHEMBL434593,5.21
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCCCC3)cc12,CHEMBL432859,5.64
+O=C1NCN(c2ccccc2)C12CCN(CCCCCCOc1ccc3oc(-c4ccccc4)cc(=O)c3c1)CC2,CHEMBL39053,6.74
+O=c1cc(-c2ccc(F)cc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL38565,5.42
+O=c1cc(-c2ccccc2)oc2cccc(OCCCCCN3CCC(O)CC3)c12,CHEMBL412429,5.29
+O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL289924,5.16
+O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL40115,4.85
+O=c1cc(-c2ccc(Cl)cc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL39202,4.96
+CCOC(=O)C1CCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1,CHEMBL38708,5.55
+COc1ccc(-c2cc(=O)c3cc(OCCCCCCN4CCC(O)CC4)ccc3o2)cc1,CHEMBL288148,5.43
+Cc1c(-c2ccccc2)oc2ccc(OCCC/C=C/CN3CCC(O)CC3)cc2c1=O,CHEMBL440606,5.57
+O=c1cc(-c2ccccc2)oc2cccc(OCCCCN3CCC(O)CC3)c12,CHEMBL40016,5.02
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CC=C(c4ccc(Cl)cc4)CC3)cc12,CHEMBL39001,5.89
+COc1cccc(-c2cc(=O)c3cc(OCCCCCCN4CCC(O)CC4)ccc3o2)c1,CHEMBL39233,5.02
+O=c1cc(C2CCCCC2)oc2ccc(OCCCCCN3CCC(O)CC3)cc12,CHEMBL37149,4.92
+CCOC(=O)C1CCCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)C1,CHEMBL38896,6.15
+O=c1cc(-c2cccc(F)c2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL38460,4.96
+NCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL36675,5.09
+Cc1c(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O,CHEMBL38862,5.57
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc12,CHEMBL289896,6.0
+CCN(CC)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL38323,5.44
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCN(c4ccc(Cl)cc4)CC3)cc12,CHEMBL38547,5.89
+O=c1cc(-c2ccccc2)oc2cccc(OCCCN3CCC(O)CC3)c12,CHEMBL38665,5.08
+O=c1cc(C2CCCC2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL37150,4.68
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCNC(CCO)C3)cc12,CHEMBL291132,5.08
+COc1cccc(-c2cc(=O)c3cc(OCCCCCN4CCC(O)CC4)ccc3o2)c1,CHEMBL37410,5.21
+O=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL39203,5.42
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL40676,5.35
+CN(C)CCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL286353,5.55
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCN3CCC(O)CC3)cc12,CHEMBL37508,5.17
+O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCC(O)CC3)ccc12,CHEMBL288933,6.0
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL39445,5.43
+O=c1cc(-c2ccccc2)oc2cc(OCCCCCN3CCC(O)CC3)ccc12,CHEMBL39941,5.23
+O=c1cc(-c2ccccc2)oc2c(OCCCCCCN3CCC(O)CC3)cccc12,CHEMBL291300,6.03
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCCCN3CCC(O)CC3)cc12,CHEMBL39615,5.05
+O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12,CHEMBL287975,4.85
+O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL412640,5.11
+O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCCN3CCC(O)CC3)ccc12,CHEMBL35714,5.55
+O=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL39163,5.64
+CN(C)CCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL37186,4.92
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCC3CCNC(CCO)C3)cc12,CHEMBL39713,5.57
+CN(C)CCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL35828,5.66
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCN3CCC(O)CC3)cc12,CHEMBL38047,5.29
+CC(C)Cc1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1,CHEMBL39480,4.89
+CN(C)CCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL38392,5.09
+CN(C)CCCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL36966,5.57
+CN(C)CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL418239,5.35
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCCN3CCC(O)CC3)cc12,CHEMBL39638,5.19
+O=c1cc(-c2ccccc2Cl)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL37138,5.66
+COc1c(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O,CHEMBL37470,5.59
+O=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL36491,5.85
+Cc1c(C2CCCCC2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O,CHEMBL40113,5.33
+O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCN3CCC(O)CC3)ccc12,CHEMBL38952,5.4
+O=c1cc(-c2ccccc2)oc2ccc(OCCCN3CCC(O)CC3)cc12,CHEMBL38264,5.47
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCC(O)C3)cc12,CHEMBL40278,5.26
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCNCC3c3ncccn3)cc12,CHEMBL39584,5.89
+O=c1cc(C2CCCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL288466,5.49
+CN(C)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL38585,5.25
+O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL37256,5.26
+O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCC(O)CC3)ccc12,CHEMBL39809,5.22
+CN(C)CCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1,CHEMBL37088,4.89
+O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCC3)cc12,CHEMBL40897,5.64
+O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCCCC3)cc12,CHEMBL290612,5.74
+O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12,CHEMBL39583,4.6
+CC1CCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1,CHEMBL289702,6.24
+O=c1cc(-c2ccccc2)oc2cccc(OCCCCCCCN3CCC(O)CC3)c12,CHEMBL38294,5.62
+CN(C)CCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1,CHEMBL287894,5.38
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,CHEMBL268758,7.3
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,CHEMBL13856,7.77
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(I)cc2)CC1,CHEMBL73979,6.75
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1,CHEMBL74756,8.89
+O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1,CHEMBL78218,6.34
+O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1,CHEMBL306478,7.29
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,CHEMBL50112,6.42
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1I,CHEMBL46326,7.2
+O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(I)c1,CHEMBL539938,7.61
+CCCN1CCc2cccc3c2[C@@H]1Cc1ccccc1-3,CHEMBL27574,6.94
+CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3,CHEMBL283489,7.14
+CCCN1CCc2cccc3c2[C@H]1Cc1ccccc1-3,CHEMBL31973,8.62
+CN(CCc1cc(Cl)c(Cl)cc1I)CCN1CCCC1,CHEMBL71049,5.88
+CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL70807,5.54
+FCCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL70861,5.51
+Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1,CHEMBL109063,7.56
+CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324392,5.6
+FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1,CHEMBL70540,4.92
+c1ccc2c(c1)ccn2CCCCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL37483,6.2
+O=C1CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1,CHEMBL35536,8.89
+O=C(CCCN1C2CCC1c1c(n(-c3ccccc3)c3ccccc13)C2)c1ccc(F)cc1,CHEMBL37285,6.08
+Fc1ccc2[nH]c3c(c2c1)C1CCCC(C3)N1CCCCc1ccccc1,CHEMBL284778,5.73
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1CCCCc1ccccc1,CHEMBL35711,6.11
+c1ccc(CCCCN2C3CCCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL285906,6.17
+O=C(CCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2)c1ccco1,CHEMBL37131,6.19
+O=S1(=O)c2cccc3cccc(c23)N1CCCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2,CHEMBL36599,6.0
+O=C(CCCN1C2CCCC1c1c([nH]c3ccccc13)C2)c1ccc(F)cc1,CHEMBL38078,7.42
+Fc1ccc2c(CCCN3C4CCCC3c3c([nH]c5ccc(F)cc35)C4)noc2c1,CHEMBL35096,6.61
+O=C(CCCN1C2CCC1c1c([nH]c3ccccc13)C2)c1cccs1,CHEMBL284928,6.26
+O=C(CCCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2)c1ccccc1,CHEMBL37385,8.56
+c1ccc2sc(CCCCN3C4CCC3c3c([nH]c5ccccc35)C4)cc2c1,CHEMBL289563,6.38
+O=C1c2ccccc2C(=O)N1CCCCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL37717,5.58
+c1ccc2c(CCCN3C4CCC3c3c([nH]c5ccccc35)C4)c[nH]c2c1,CHEMBL38309,5.94
+O=C(CCCN1C2CCC1c1c([nH]c3ccccc13)C2)c1ccc(F)cc1,CHEMBL36645,6.565
+O=C(CCCN1C2CCC1c1c([nH]c3ccccc13)C2)c1ccccc1,CHEMBL37010,6.27
+Fc1ccc(CCCCN2C3CCCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL36992,6.01
+O=C(CCCCN1C2CCCC1c1c([nH]c3ccc(F)cc13)C2)c1ccccc1,CHEMBL38337,7.14
+O=C(CCCN1C2CCCC1c1c([nH]c3ccc(F)cc13)C2)c1ccc(F)cc1,CHEMBL37215,6.7
+Fc1ccc(CCCCN2C3CCCC2c2c([nH]c4ccc(F)cc24)C3)cc1,CHEMBL34958,5.71
+Fc1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL38152,5.94
+c1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL38130,6.13
+O=C(CCCCN1C2CCCC1c1c([nH]c3ccccc13)C2)c1ccccc1,CHEMBL285030,7.36
+Fc1ccc2c(CCCCN3C4CCCC3c3c([nH]c5cccc(F)c35)C4)noc2c1,CHEMBL418607,6.88
+c1ccc2c(CCCCN3C4CCC3c3c([nH]c5ccccc35)C4)c[nH]c2c1,CHEMBL289722,6.07
+Cn1c2c(c3ccccc31)C1CCC(C2)N1CCCC(=O)c1ccc(F)cc1,CHEMBL430551,6.54
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL285203,5.52
+CCCN(CCC)C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,CHEMBL324750,7.37
+CCCN(CCC)C1CCc2c(cccc2OC)C1,CHEMBL11615,7.0
+CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL28437,6.17
+CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1,CHEMBL28313,5.87
+CCCCOc1ccccc1N1CCNCC1,CHEMBL9452,6.61
+CC(C)c1ccccc1N1CCNCC1,CHEMBL276156,6.95
+CC(C)Oc1ccccc1N1CCNCC1,CHEMBL9669,7.19
+CCc1ccccc1N1CCNCC1,CHEMBL9467,6.35
+CCCc1ccccc1N1CCNCC1,CHEMBL9870,6.42
+CCOc1ccccc1N1CCNCC1,CHEMBL273923,6.84
+CCCCc1ccccc1N1CCNCC1,CHEMBL9921,6.08
+COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL50465,8.01
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54026,7.13
+COc1c(C(=O)NC2CCN(C3CCCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL53078,7.64
+COc1c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54865,8.23
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL52835,6.35
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL52300,7.2
+COc1c(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL54667,8.74
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL298864,6.82
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL54571,7.23
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL298759,7.93
+COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL53778,7.72
+COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12,CHEMBL51959,8.26
+COc1c(C(=O)NC2CCN(C3C4CCCC3CCC4)CC2)cc(Br)c2ccccc12,CHEMBL53401,6.11
+COc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53650,6.82
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL53218,6.52
+COc1c(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL52588,9.7
+COc1c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL416846,6.88
+COc1c(C(=O)NC2CCN(C3CCCCC3)CC2)cc(Br)c2ccccc12,CHEMBL51856,7.03
+COc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc12,CHEMBL53102,7.94
+COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,CHEMBL298875,7.92
+COc1c(C(=O)N[C@@H]2CCN(C3C4CCCC3CCC4)C2)cc(Br)c2ccccc12,CHEMBL301302,7.12
+COc1c(C(=O)NC2CCN(C3CCCC3)CC2)cc(Br)c2ccccc12,CHEMBL54092,6.68
+COc1c(C(=O)NC[C@@H]2CCCN2C2C3CCCC2CCC3)cc(Br)c2ccccc12,CHEMBL54662,7.59
+COc1c(C(=O)NC[C@H]2CCCN2C2CCC2)cc(Br)c2ccccc12,CHEMBL50517,6.56
+COc1c(C(=O)NC2CC3CCCC(C2)N3C2CCCCC2)cc(Br)c2ccccc12,CHEMBL423122,6.82
+COc1c(C(=O)NC[C@@H]2CCCN2C2CCCCCC2)cc(Br)c2ccccc12,CHEMBL301732,7.1
+COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC,CHEMBL54866,10.3
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(Br)c2ccccc12,CHEMBL50352,7.02
+COc1c(C(=O)N[C@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL52298,8.24
+COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12,CHEMBL54027,6.55
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCC2)cc(Br)c2ccccc12,CHEMBL416481,6.8
+COc1c(C(=O)NC[C@H]2CCCN2C2CCCCC2)cc(Br)c2ccccc12,CHEMBL53038,7.24
+COc1c(C(=O)NC[C@H]2CCCN2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc12,CHEMBL301929,7.64
+COc1c(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)cc(Br)c2ccccc12,CHEMBL53320,7.72
+COc1c(C(=O)N[C@@H]2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL51754,7.21
+COc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1,CHEMBL64751,5.66
+COc1c(C(=O)NCCN2CCc3ccccc3C2)cc(Br)c2ccccc12,CHEMBL60133,6.88
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL60048,6.19
+COc1cc2c(cc1OC)CN(Cc1ccc(-c3cc(Br)cc(OC)c3OC)[nH]1)CC2,CHEMBL60213,7.48
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60139,6.13
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,CHEMBL59725,5.44
+COc1cc(Br)cc(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1OC,CHEMBL303796,7.52
+COc1c(C(=O)NC2CCN(C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc12,CHEMBL62638,8.24
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL291439,5.66
+COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC,CHEMBL305366,6.37
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2,CHEMBL60140,6.62
+COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,CHEMBL59713,7.23
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL64176,6.15
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,5.55
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL305362,6.58
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL301242,6.935
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,CHEMBL61789,6.97
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1OC)CC2,CHEMBL64261,5.45
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,CHEMBL25236,7.21
+COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1,CHEMBL420510,7.35
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1,CHEMBL340641,6.47
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,CHEMBL124444,7.06
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL125916,6.8
+COc1ccccc1N1CCN(CCCCNC(=O)c2nc3ccccc3n3cccc23)CC1,CHEMBL126590,7.23
+COc1ccccc1N1CCN(CCNCc2coc(-c3ccc4ccccc4c3)n2)CC1,CHEMBL123952,7.07
+COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1,CHEMBL127344,7.08
+COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1,CHEMBL127400,7.12
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1,CHEMBL127317,7.08
+COc1ccccc1N1CCN(CCNCc2coc(-c3cc4ccccc4o3)n2)CC1,CHEMBL341117,6.29
+O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1,CHEMBL435218,6.39
+COc1ccccc1N1CCN(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1,CHEMBL2112643,6.61
+O=C(NCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2ccccc2o1,CHEMBL125193,6.48
+COc1cc2c(cc1OC)C(CCN1CCN(c3ccc(F)cc3)CC1)OCC2,CHEMBL83915,6.4
+COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL71724,5.96
+NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1,CHEMBL81649,5.25
+Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,CHEMBL81330,6.8
+COc1ccc(OC)c2c1C[C@@H]1c3c(cccc3-2)CCN1C,CHEMBL300329,6.68
+CCCN1CCc2cccc3c2[C@H]1Cc1c(OC)ccc(OC)c1-3,CHEMBL61377,6.11
+NCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1,CHEMBL134344,8.57
+CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1,CHEMBL433652,9.495
+N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1,CHEMBL135224,9.14
+COc1cccc2c1CCCC2CCCN1CCC(Cc2ccccc2)CC1,CHEMBL134717,5.89
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CC(C)(c3ccccc3)CC2C1,CHEMBL45531,6.6
+C1=C(c2ccccc2)CCN(CCCCc2ccncc2)C1,CHEMBL96777,7.16
+C1=C(c2cccs2)CCN(CCCCc2ccncc2)C1,CHEMBL97302,6.3
+COc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL94801,5.79
+C1=C(c2ccccn2)CCN(CCCCc2ccncc2)C1,CHEMBL94844,6.49
+C1=C(c2ccc3ccccc3c2)CCN(CCCCc2ccncc2)C1,CHEMBL94950,6.18
+Cc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL97285,6.02
+Fc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL421195,5.28
+Clc1ccc(C2=CCN(CCCCc3ccncc3)CC2)cc1,CHEMBL93442,6.34
+C1=C(c2c[nH]c3ccccc23)CCN(CCCCc2ccncc2)C1,CHEMBL96524,6.54
+FC(F)(F)c1cccc(N2CCNCC2)c1,CHEMBL274866,6.28
+COc1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1,CHEMBL309730,6.1
+COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL91693,6.2
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CCCC2CCC3)C1,CHEMBL94050,6.85
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1,CHEMBL96369,7.08
+COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL330318,7.92
+C=CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL92192,7.57
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL315446,6.77
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCNC1,CHEMBL96792,4.85
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CC4CC(C3)CC2C4)C1,CHEMBL92924,6.96
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1,CHEMBL91859,7.09
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL92030,6.13
+COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL93021,7.3
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL328866,6.66
+COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL316317,6.62
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL319079,6.72
+COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL95096,5.92
+CNc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl,CHEMBL319597,9.09
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL327984,8.92
+CCC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,CHEMBL93198,7.49
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCCC2)C1,CHEMBL92199,7.7
+COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1,CHEMBL96703,7.49
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,CHEMBL329106,9.01
+COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL94200,6.16
+COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1,CHEMBL72657,7.06
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,CHEMBL405355,6.53
+COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1,CHEMBL286565,6.08
+O=C1C2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL285066,6.72
+Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C,CHEMBL339980,4.42
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL83112,8.42
+COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c2c1,CHEMBL84171,7.59
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3c(F)c(F)ccc23)CC1,CHEMBL82523,8.17
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2[nH]nc3cc(F)ccc23)CC1,CHEMBL441259,7.48
+Cn1nc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL442974,6.74
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccc(F)cc23)CC1,CHEMBL83732,7.06
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2coc3cc(F)ccc23)CC1,CHEMBL82488,7.68
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1,CHEMBL81191,6.78
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2cccc3ccccc23)CC1,CHEMBL79693,7.3
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1169435,8.15
+Cn1cc(C2=CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)c2ccc(F)cc21,CHEMBL311323,7.14
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,CHEMBL79561,8.68
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1,CHEMBL313452,8.07
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc3cc(F)ccc3c2)CC1,CHEMBL310082,6.31
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL310744,8.15
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2noc3cc(F)ccc23)CC1,CHEMBL79853,7.43
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2csc3cc(F)ccc23)CC1,CHEMBL81703,8.42
+C[C@H]1CC(c2c[nH]c3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL311787,7.07
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)C1,CHEMBL79725,7.55
+N#Cc1cccc2c(C3=CCN(CCC4OCCc5cc(C(N)=O)ccc54)CC3)c[nH]c12,CHEMBL311694,7.82
+NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1,CHEMBL1159649,7.32
+NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2ccc(F)c3ccoc23)CC1,CHEMBL2112307,7.28
+NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1,CHEMBL79674,7.72
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1,CHEMBL104578,7.04
+c1cc(N2CCNCC2)c2occc2c1,CHEMBL61032,6.11
+O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1,CHEMBL81728,7.85
+O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1,CHEMBL1742477,6.85
+O=C(NCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1,CHEMBL294633,8.215
+c1cc2c(c(N3CCNCC3)c1)OCCO2,CHEMBL282614,5.96
+COc1ccc(CC2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1,CHEMBL87897,5.57
+CC[C@@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL2115213,5.45
+CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL420972,5.26
+C#CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL420788,4.94
+NC[C@@H]1OC(Cc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL87910,5.83
+NC[C@@H]1OC(C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL87172,5.58
+C#CCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL315849,5.97
+NC[C@@H]1OC(CC2CCCC2)Cc2c1ccc(O)c2O,CHEMBL85409,6.11
+NC[C@@H]1OCCc2c1ccc(O)c2O,CHEMBL87958,5.34
+NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL84983,6.17
+CCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL431220,6.08
+NC[C@@H]1OC(c2ccc(Br)cc2)Cc2c1ccc(O)c2O,CHEMBL415080,5.68
+NC[C@@H]1OC(COCc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86325,6.41
+Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNC1CC1,CHEMBL86669,6.2
+Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNCc1ccccc1,CHEMBL315516,5.61
+NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O,CHEMBL86576,5.89
+NC[C@@H]1OC(C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O,CHEMBL313530,5.89
+OCCCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL85552,4.91
+CNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL315750,6.14
+COc1cccc(C2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1,CHEMBL315005,6.12
+NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL314459,5.95
+NC[C@@H]1OC(C2CCCCCCC2)Cc2c1ccc(O)c2O,CHEMBL85689,6.47
+NC[C@@H]1OC(c2ccc(I)cc2)Cc2c1ccc(O)c2O,CHEMBL313304,5.98
+NC[C@@H]1OC2(CCCCC2)Cc2c1ccc(O)c2O,CHEMBL420604,5.33
+C=CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL84557,5.59
+NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O,CHEMBL315468,6.11
+NC[C@@H]1OC(c2cccc(O)c2)Cc2c1ccc(O)c2O,CHEMBL87734,6.23
+CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1,CHEMBL82899,5.09
+CN1CCc2cc(Br)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL276326,7.75
+CN1CCc2cc(O)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL54183,7.0
+COc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL53445,8.787
+CN1CCc2cc(Cl)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL431946,7.65
+CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL19130,9.42
+COc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@@H]3N(C)CC2,CHEMBL301761,7.46
+FC(F)(F)c1cccc(C2CCNC2)c1,CHEMBL3706603,7.0
+CCCN1CCC(c2cccc3ccccc23)C1,CHEMBL82485,7.15
+CCCN1CCC(c2cccc(C(F)(F)F)c2)C1,CHEMBL310607,6.82
+CCCN1CCC(c2ccccc2)C1,CHEMBL82541,6.2
+c1ccc2c(C3CCNC3)cccc2c1,CHEMBL311972,6.58
+CCCN1CCC(c2cccc(O)c2)C1,CHEMBL81675,7.17
+CCCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL79812,6.79
+Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21,CHEMBL1743803,6.38
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CHEMBL415,7.25
+Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(F)ccc32)cc1,CHEMBL1743798,6.62
+COc1cc2c(cc1OC)[C@@H]1CCCN1C[C@H]2c1ccccc1,CHEMBL1743804,6.4
+COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2C)CC1,CHEMBL146535,9.1
+CN1CCc2cccc3c2C(C1)CN3c1ccc(F)cc1,CHEMBL173315,8.04
+CN1CCc2cccc3c2c(cn3-c2ccc(F)cc2)C1,CHEMBL176476,7.08
+Fc1ccc(N2CC3CNCCc4cccc2c43)cc1,CHEMBL176990,7.47
+COc1c(Cl)c2c3c(c1OC)N(c1ccc(F)cc1)CC3CN(C)CC2,CHEMBL176356,8.17
+COc1cc2c3c(c1OC)N(c1ccc(F)cc1)CC3CN(C)CC2,CHEMBL178797,7.51
+COc1cc2c3c(cn(-c4ccc(F)cc4)c3c1OC)CN(C)CC2,CHEMBL366504,6.43
+COc1cc2c3c(c1OC)N(c1ccc(F)cc1)CC3CNCC2,CHEMBL174949,7.17
+Cc1cccc2c1C(CN(C)C)CN2c1ccc(F)cc1,CHEMBL171903,8.52
+CCCN(CCC)C1Cc2cccc(O)c2C1,CHEMBL85362,8.28
+CCCN(CCC)C1Cc2cccc(OC)c2C1,CHEMBL421936,8.38
+CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142056,7.18
+CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142835,6.9
+CCCN(CCc1ccc(OC)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142154,6.79
+CCCN(CC)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142684,6.43
+CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL16410,6.0
+CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142535,7.01
+CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142481,7.21
+CCCN(CCc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL141614,6.58
+CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142163,6.79
+CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL440819,7.57
+CCCN(CCc1cccnc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL143509,6.54
+CCCN(CCC)C1Cc2ccc(OC)cc2C1,CHEMBL356823,6.58
+CCCN(CCc1ccc(C(F)(F)F)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL344524,6.51
+CCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142976,5.91
+CCCN(CCc1ccc(C(N)=O)cc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142956,6.91
+CCCN(CCC)C1Cc2ccc(O)cc2C1,CHEMBL16409,7.28
+CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL142197,6.81
+CCCN(CCCF)C1Cc2cc(OC)c(OC)cc2C1,CHEMBL423371,5.74
+COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12,CHEMBL139505,6.35
+COc1ccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL2112771,6.1
+COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1,CHEMBL2112774,6.17
+COc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL140287,5.91
+COc1cccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL2112780,5.83
+COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL2112779,6.11
+COc1cccc(C2=CCC(N3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL139848,5.66
+COc1cccc(C2=CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1,CHEMBL138892,5.53
+COc1cccc2c(CCCNCCOc3ccccn3)cccc12,CHEMBL138109,6.42
+COc1cccc(C2=CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1,CHEMBL138289,6.49
+COc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1,CHEMBL344146,6.12
+COc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2,CHEMBL423181,5.76
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71865,7.7
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71783,5.77
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL307800,7.26
+O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL68720,7.45
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL305019,7.97
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL71416,6.05
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1,CHEMBL302374,7.06
+O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,CHEMBL302796,5.99
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL67750,6.4
+O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304766,7.06
+O=C(NCC#CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL71364,6.0
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL305294,6.87
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL69718,6.42
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL304605,6.7
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,CHEMBL71327,7.3
+O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,CHEMBL69571,6.97
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,CHEMBL309118,6.82
+O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,CHEMBL68860,6.6
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL69717,6.99
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,CHEMBL68740,7.08
+Nc1ccc2c(c1)-c1c(cccc1C(=O)NCCCCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,CHEMBL71502,7.1
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,CHEMBL262724,6.96
+O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,CHEMBL69451,7.24
+O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL306672,7.06
+CCCN(Cc1ccc(CN2CCN(c3ccccc3OC)CC2)n1C)S(=O)(=O)c1ccccc1,CHEMBL133550,8.0
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CCN3CCCCC3=O)n2C)CC1,CHEMBL543900,8.52
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1,CHEMBL552830,7.17
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1,CHEMBL553555,5.62
+CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCC3)cs2)CC1,CHEMBL542483,7.62
+COc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)S(C)(=O)=O)n2C)CC1,CHEMBL435198,8.0
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)n2C)CC1,CHEMBL543905,8.0
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCCC3)s2)CC1,CHEMBL538280,7.52
+CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCCC3)cs2)CC1,CHEMBL544373,7.55
+CC(C)Oc1ccccc1N1CCN(CC2CC(CN3CCCCC3=O)=NO2)CC1,CHEMBL124285,5.73
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1,CHEMBL135246,7.64
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3)c2)CC1,CHEMBL422989,7.7
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CC3NC(=O)NC3=O)c2)CC1,CHEMBL135377,6.55
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNc3ccc(F)cc3)c2)CC1,CHEMBL135479,6.93
+CN1CCC(=C2c3ccccc3C=Cc3ccc(Br)cc32)CC1,CHEMBL436095,8.4
+NCC1OCCc2c1ccc(O)c2O,CHEMBL99361,5.34
+Fc1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)cc1,CHEMBL315655,6.19
+C1=C(c2c[nH]c3ccccc23)CCC(CCN2CCN(c3ccccn3)CC2)C1,CHEMBL87481,6.57
+c1ccc(N2CCN(C[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL87504,7.07
+c1ccc(N2CCN(CC[C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL86801,6.86
+C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](c3c[nH]c4ccccc43)CC2)C1,CHEMBL86662,8.06
+c1ccc(N2CCN([C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL90673,5.59
+Oc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1,CHEMBL313095,8.07
+C1=C(c2cccs2)CCN(CC[C@H]2CC[C@H](c3c[nH]c4ccccc43)CC2)C1,CHEMBL86887,6.2
+Fc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1,CHEMBL85018,6.96
+c1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)cc1,CHEMBL314888,6.91
+Cn1cc([C@H]2CC[C@H](CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21,CHEMBL314987,7.08
+c1cnc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL87924,6.79
+C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@@H](c3c[nH]c4ccccc43)CC2)C1,CHEMBL87003,7.55
+COc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1,CHEMBL554027,7.54
+c1ccc(N2CCN([C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL86517,6.34
+c1ccc(N2CCN(C[C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,CHEMBL84851,6.91
+Oc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1,CHEMBL1788322,4.58
+Oc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1,CHEMBL65397,5.43
+Oc1cc2c(cc1Cl)CCNCC2c1ccccc1,CHEMBL292418,6.17
+CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1,CHEMBL293828,5.72
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL301867,4.85
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL60547,5.43
+CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1,CHEMBL43552,8.16
+CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O,CHEMBL42260,8.89
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC,CHEMBL42448,9.35
+CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(c23)C1,CHEMBL12157,7.4
+CCCN(CCC)C1Cc2cccc3[nH]c(=O)c(=O)n(c23)C1,CHEMBL1202414,6.82
+CCCN(Cc1ccccc1)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL12285,5.72
+CCCCN(CCC)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL12021,6.78
+O=c1[nH]c2cccc3c2n1CC(N(CC1CC1)CC1CC1)C3,CHEMBL273711,5.11
+CCCNC1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202413,5.98
+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3,CHEMBL11896,5.97
+CCCN(CCC)C1Cc2cccc3c2N(CC(=O)N3)C1,CHEMBL1202415,7.52
+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CC3,CHEMBL11577,7.08
+O=c1[nH]c2cccc3c2n1CC(NCC1CC1)C3,CHEMBL1202412,5.4
+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)OC3,CHEMBL1202416,6.53
+CCCN(CCC)C1Cc2cccc3ccc(=O)n(c23)C1,CHEMBL269419,6.5
+CCCN(CCC)C1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202407,6.68
+CCCN(CCC)C1Cc2cccc3oc(=O)n(c23)C1,CHEMBL11729,6.05
+C=CCNC1Cc2cccc3[nH]c(=O)n(c23)C1,CHEMBL1202410,6.44
+CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CN3,CHEMBL268274,7.1
+CCCN(CCC)C1Cc2cccc3c2n(c(=O)n3C)C1,CHEMBL12515,6.03
+COc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL339954,7.39
+COc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,CHEMBL130327,8.36
+Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1,CHEMBL130501,7.34
+Cn1cc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc21,CHEMBL131356,7.82
+COc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1,CHEMBL130659,8.74
+C1=C(c2ccccc2)CCN(CCCCCCc2c[nH]c3ccccc23)C1,CHEMBL130614,8.37
+C1=C(c2ccccc2)CCN(CCCCCc2c[nH]c3ccccc23)C1,CHEMBL419957,7.89
+Fc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,CHEMBL338710,8.8
+Clc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL131711,7.68
+Cc1[nH]c2ccccc2c1CCCCN1CC=C(c2ccccc2)CC1,CHEMBL338849,8.27
+C1=C(c2ccccc2)CCN(CCCc2c[nH]c3ccccc23)C1,CHEMBL131841,7.92
+Oc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1,CHEMBL130502,8.6
+C1=C(c2ccccc2)CCN(CCc2c[nH]c3ccccc23)C1,CHEMBL127609,7.09
+Fc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1,CHEMBL132270,8.4
+Clc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,CHEMBL132446,8.51
+C=CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL318111,9.62
+C=CCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL319557,7.9
+CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,CHEMBL330274,7.42
+C=CCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL1788212,8.7
+C=CCN1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3,CHEMBL1744043,6.81
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC3)c2)CC1,CHEMBL291846,7.89
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCOCC3)c2)CC1,CHEMBL304435,7.02
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL64702,8.2
+CCCc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL292752,7.42
+CC(C)Oc1ccccc1N1CCN(C(C)c2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL58299,6.91
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,CHEMBL301465,8.96
+O=C(c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1,CHEMBL294129,7.11
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)NC3CCCCC3)c2)CC1,CHEMBL60411,7.33
+N#Cc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL62024,7.2
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCCC3)c2)CC1,CHEMBL303982,8.28
+CC(=O)N(C)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL61963,6.8
+O=C(c1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1)N1CCCCC1,CHEMBL59853,6.91
+O=C(c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1,CHEMBL61470,6.17
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(N)=O)c2)CC1,CHEMBL60110,6.84
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1,CHEMBL61926,7.52
+CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL62150,7.62
+CC(C)Oc1ccccc1C1(O)CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL61478,7.43
+CCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL59167,7.8
+CC(C)Oc1cc(F)ccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL60675,7.72
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3=O)c2)CC1,CHEMBL279837,7.41
+CC(C)Oc1ccccc1N1CCN(CCCCc2ccc(C(=O)N3CCCCC3)cc2)CC1,CHEMBL61975,7.8
+CCOc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL59855,7.24
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1,CHEMBL292107,8.27
+COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1,CHEMBL64274,6.7
+O=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1,CHEMBL61816,7.82
+O=C(c1cccc(CN2CCN(c3ccccc3C(F)(F)F)CC2)c1)N1CCCCC1,CHEMBL413546,7.8
+O=C(c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1)N1CCCCC1,CHEMBL61117,6.46
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=S)N3CCCCC3)c2)CC1,CHEMBL60122,7.7
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCC3)c2)CC1,CHEMBL441795,7.46
+CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,CHEMBL64528,9.05
+O=C(c1cccc(CN2CCN(c3ccccc3F)CC2)c1)N1CCCCC1,CHEMBL64210,6.58
+CCN(CC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL64227,7.85
+COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,CHEMBL268258,7.28
+O=C(c1cccc(CN2CCN(c3nsc4ccccc34)CC2)c1)N1CCCCC1,CHEMBL59878,7.39
+C=CCN1CC[C@H]2c3cccc(OC)c3CC[C@H]21,CHEMBL280955,7.6
+CCCN1CC[C@@H]2c3cccc(OC)c3CC[C@H]21,CHEMBL280137,7.2
+C=CCN1CCC2c3cccc(O)c3CC[C@@H]21,CHEMBL275543,6.59
+CCCN1CC[C@@H]2c3cccc(O)c3CC[C@H]21,CHEMBL24588,7.48
+C=CCN1CCC2c3cccc(OC)c3CC[C@H]21,CHEMBL10570,7.38
+C=CCN1CCC2c3c(cccc3OC)CC[C@@H]21,CHEMBL418705,6.57
+C=CCN1CC[C@@H]2c3cccc(OC)c3CC[C@H]21,CHEMBL24222,7.0
+C=CCN1CCC2c3cccc(O)c3CC[C@H]21,CHEMBL10408,7.31
+C=CCN1CCC2c3c(cccc3OC)CC[C@H]21,CHEMBL10270,8.28
+C=CCN1CC[C@@H]2c3cccc(O)c3CC[C@H]21,CHEMBL25483,7.27
+C=CCN1CC[C@@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL286205,7.89
+C=CCN1CC[C@@H]2Cc3c(cccc3OC)C[C@@H]21,CHEMBL11294,6.37
+COc1cccc2c1C[C@H]1CCN(CC3CC3)[C@H]1C2,CHEMBL273601,6.13
+Oc1cccc2c1C[C@H]1CCN(CC3CC3)[C@@H]1C2,CHEMBL11771,6.93
+C=CCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]21,CHEMBL267557,7.33
+COc1cccc2c1C[C@H]1CCN(Cc3ccccc3)[C@H]1C2,CHEMBL275057,6.33
+C=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21,CHEMBL287134,6.82
+CCCN1CC[C@H]2c3ccccc3CC[C@H]21,CHEMBL25690,6.26
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL290039,6.82
+COc1ccccc1N1CCN(CCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL46535,6.44
+COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,CHEMBL42810,6.97
+COc1ccccc1N1CCN(CCN2C(=O)C3CCCCN3C2=O)CC1,CHEMBL296713,6.61
+O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL43332,6.38
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL42644,6.89
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL417709,7.04
+O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL296413,6.21
+O=C(NC[C@@H]1CCCN1Cc1ccc(F)cc1)c1cc(I)cc2c1OCC2,CHEMBL431384,9.97
+CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC,CHEMBL308524,10.72
+CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1OCCF,CHEMBL305844,7.89
+COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC,CHEMBL73683,9.83
+C(#Cc1cccnc1)CCN1CCN(c2ccccn2)CC1,CHEMBL432972,5.27
+C(#Cc1ccc2[nH]ccc2c1)CCN1CC=C(c2ccccc2)CC1,CHEMBL109199,6.71
+C(#Cc1ccc2c(c1)OCCO2)CCN1CC=C(c2ccccc2)CC1,CHEMBL108375,6.9
+C(#Cc1ccccn1)CCN1CC=C(c2ccccc2)CC1,CHEMBL110488,6.87
+C(#Cc1cccnc1)CCN1CC=C(c2cccs2)CC1,CHEMBL108462,6.59
+C(#Cc1cnc2ccccc2c1)CCN1CC=C(c2ccccc2)CC1,CHEMBL108790,7.52
+COc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1,CHEMBL108530,6.49
+C(#Cc1cccnc1)CCCN1CC=C(c2ccccc2)CC1,CHEMBL321828,7.25
+C(#Cc1cnc2ccccc2c1)CCCN1CC=C(c2ccccc2)CC1,CHEMBL108186,7.4
+Fc1ccc(N2CCN(CCC#Cc3cccnc3)CC2)cc1,CHEMBL110843,5.78
+C(#Cc1cncc2ccccc12)CCN1CC=C(c2ccccc2)CC1,CHEMBL324445,7.14
+C(#Cc1ccc2occc2c1)CCN1CC=C(c2ccccc2)CC1,CHEMBL419021,6.36
+C(#Cc1ccccc1)CCN1CC=C(c2ccccc2)CC1,CHEMBL110324,6.55
+Nc1ccccc1C#CCCN1CC=C(c2ccccc2)CC1,CHEMBL321858,6.74
+Oc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1,CHEMBL109171,7.27
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL280063,7.0
+Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15601,6.7
+Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21,CHEMBL16123,7.0
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21,CHEMBL15456,7.0
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21,CHEMBL15941,5.0
+Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21,CHEMBL15637,7.0
+Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL415985,6.0
+Cn1c(=O)sc2cc(CCCCN3CCC(c4ccccc4)CC3)ccc21,CHEMBL15986,7.52
+CCCN(CCC)[C@@H]1Cc2cccc3ccc(=O)n(c23)C1,CHEMBL24978,7.73
+C=CCN1CC[C@@H]2c3cccc(O)c3CC[C@@H]21,CHEMBL566133,6.59
+CCCN1CCC2Cc3c(O)cccc3CC21,CHEMBL2114337,6.53
+C=CCN1CCC2c3c(O)cccc3CCC21,CHEMBL10048,7.6
+CCCN(CCC)[C@@H]1Cc2cccc3c2N(CC(=O)N3)C1,CHEMBL27399,7.55
+C=CCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL278285,7.6
+CCCN1CC[C@H]2c3cccc(OC)c3CC[C@@H]21,CHEMBL2051769,7.2
+C=CCN1CCC2c3cccc(OC)c3CC[C@@H]21,CHEMBL276825,7.0
+CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C,CHEMBL27441,6.517
+CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4c3C(=CC4)C[C@H]2N(C)C1,CHEMBL285341,9.02
+CCCN1CCC2Cc3c(O)cccc3C[C@H]21,CHEMBL25359,7.77
+Cc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@H](NC(=O)C(C)(C)C)CN1C,CHEMBL25013,9.13
+C=CCN1CC[C@H]2Cc3c(O)cccc3C[C@H]21,CHEMBL24050,7.33
+CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(c23)C1,CHEMBL281248,7.41
+C=CCN1CCC2Cc3c(cccc3OC)CC21,CHEMBL2114338,6.37
+CCCN1CCC2Cc3c(cccc3OC)C[C@H]21,CHEMBL278091,6.06
+CN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21,CHEMBL25074,9.33
+CCCN1C[C@H]2c3c(cccc3OC)CC[C@H]21,CHEMBL283956,6.48
+C=CCN1CCC2c3c(cccc3OC)CCC21,CHEMBL273412,7.89
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1,CHEMBL331006,4.44
+O=C1c2ccccc2C(=O)N1CCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL119698,4.28
+c1ccc(OCCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL119047,7.0
+CC(C)n1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1,CHEMBL119889,5.58
+C(=C/c1ccccc1)\CN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL119485,5.61
+c1ccc(CCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL333840,5.59
+Fc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL119811,5.68
+c1ccc(CCCCN2C3CCC2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1,CHEMBL331500,5.74
+c1ccc2c3c([nH]c2c1)CC1CCC3N1CCCCc1nccs1,CHEMBL115582,5.65
+O=C1c2ccccc2C(=O)N1CCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2,CHEMBL119725,4.91
+c1ccc(OCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL332593,5.59
+Clc1ccc(OCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1Cl,CHEMBL118289,6.19
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL116710,5.6
+Clc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1Cl,CHEMBL325619,5.46
+CC/C=C/N1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL325845,6.15
+c1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL119048,5.89
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1Cc1ccccc1I,CHEMBL323910,5.27
+CN(CCN1C2CCC1c1c([nH]c3ccccc13)C2)C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL117748,5.42
+c1ccc(CCN2C3CCC2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1,CHEMBL118665,5.79
+c1ccc(CN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL118288,5.44
+c1ccc(C(CCN2C3CCC2c2c([nH]c4ccccc24)C3)c2ccccc2)cc1,CHEMBL331611,5.34
+CCCN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL119495,4.95
+c1ccc(CCCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL332035,6.17
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1CCCN1Cc2ccccc2C1,CHEMBL116711,5.75
+OCCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2,CHEMBL119409,4.43
+c1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL119804,6.08
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1CCCc1cccnc1,CHEMBL325168,4.91
+c1ccc2c(c1)CN(CCN1C3CCC1c1c([nH]c4ccccc14)C3)C2,CHEMBL116207,5.7
+c1ccc(-n2c3c(c4ccccc42)C2CCC(C3)N2)cc1,CHEMBL118445,5.0
+Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1Cc1ccccc1,CHEMBL117567,5.62
+CN1C2CCC1c1c([nH]c3ccccc13)C2,CHEMBL118276,4.78
+c1ccc(CCCCN2C3CCC2c2c(n(-c4ccccc4)c4ccccc24)C3)cc1,CHEMBL433022,5.8
+Fc1ccc2[nH]c3c(c2c1)CN(CCCc1ccncc1)CC3,CHEMBL442395,8.22
+Clc1ccc(OCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,CHEMBL324092,6.28
+Cn1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1,CHEMBL119075,5.74
+c1csc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1,CHEMBL119867,6.21
+CCCNC1CCc2cc(F)ccc2C1,CHEMBL302373,6.79
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1,CHEMBL302994,6.75
+CCCN(CCC)C1CCc2cc(F)c3c(c(C=O)cn3C)c2C1,CHEMBL71319,5.99
+CCCN(CCC)C1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1,CHEMBL303269,6.58
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL71395,6.69
+CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1,CHEMBL306869,7.48
+CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1,CHEMBL69562,7.85
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL441256,7.19
+CCCNC1CCc2ccc3[nH]ccc3c2C1,CHEMBL305976,7.32
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69943,7.82
+CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL69729,7.48
+c1ccc(CCCNCC2CCc3ccc4[nH]ccc4c3C2)cc1,CHEMBL70980,7.49
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL306197,8.32
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3,CHEMBL69560,7.03
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL70606,7.66
+C=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL309121,7.38
+CCCN(C)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71409,7.48
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL420748,7.82
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1788200,8.19
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL71145,8.26
+c1cc2c3c(ccc2[nH]1)CCC(N1CCCCCC1)C3,CHEMBL73112,7.0
+NC(=O)C1(NC2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL356075,7.37
+CN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL146225,6.52
+O=C(CCCN1CCC2(CC1)C(=O)NCN2C1CCCCC1)c1ccc(F)cc1,CHEMBL147449,9.15
+CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O,CHEMBL148749,6.64
+CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL148358,7.89
+CC(C)N1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL357924,6.4
+CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL146591,7.34
+CC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CHEMBL147418,6.4
+CN1CNC(=O)C12CCN(CCCOc1ccc(F)cc1)CC2,CHEMBL267204,6.13
+CN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL148413,6.66
+CCN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2,CHEMBL342963,6.77
+CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL150162,6.89
+C[S+](C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL44394,6.55
+COc1ccc2c(c1)C(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)CCO2,CHEMBL14499,6.79
+COc1cccc2c1C(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)CCO2,CHEMBL14349,7.54
+COc1ccc2c(c1)OCCC2CN1CCC2(CC1)C(=O)NCN2c1ccccc1,CHEMBL14896,6.56
+COc1cccc2c1C(CNCCCc1ccccc1)CCO2,CHEMBL418541,6.55
+COc1cccc2c1OCCC2CNCCCc1ccccc1,CHEMBL275247,6.21
+c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1,CHEMBL39900,4.98
+O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2,CHEMBL41830,5.26
+CCCCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2115227,6.2
+CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@H](C)C2,CHEMBL2114239,6.19
+CCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2115229,7.02
+CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2114238,6.4
+CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL196677,5.57
+CCCCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL2114240,7.23
+CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2115231,8.02
+CCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@H](C)C2,CHEMBL2115228,6.68
+CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@H](C)C2,CHEMBL2115232,7.68
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@H](C)C2,CHEMBL2114235,7.64
+CCCCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2114234,8.17
+CCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2,CHEMBL2114236,8.03
+CCCCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL2115233,5.85
+Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl,CHEMBL104834,5.07
+CCCNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(C)c2O,CHEMBL543389,5.58
+NC[C@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL538520,5.71
+Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN(C)C,CHEMBL545264,4.74
+CNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(C)c2O,CHEMBL544099,5.34
+NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O,CHEMBL543390,6.24
+NC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O,CHEMBL100572,5.95
+O=C1C2C3C=CC(CC3)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3215739,5.7
+O=C1C2C3C=CC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216189,5.96
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1,CHEMBL543959,6.31
+O=C1C2C3C=CC(C4C=CC43)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216636,6.87
+O=C1C2C3C=CC(C3)C2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL3215971,7.07
+O=C1C2C3C=CC(C4CC34)C2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL3216644,5.85
+O=C1C2C3C=CC(C4CC34)C2S(=O)(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL552874,5.99
+O=C1C2C3CCC(O3)C2S(=O)(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1,CHEMBL545359,5.48
+OCCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL553060,5.84
+CC(C)N1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL555279,6.05
+CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL544618,9.66
+CC(C)CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL540577,6.31
+Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)NCC3,CHEMBL541862,5.92
+Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC1CC1)CC3,CHEMBL541867,9.37
+CCCN1CCC[C@@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL90359,6.55
+CCCN1CCC[C@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL110821,5.165
+Fc1ccc2[nH]c3c(c2c1)CN(CCc1cnccn1)CC3,CHEMBL1743951,7.2
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2ccc4ccccc4n2)CC3)cc1,CHEMBL1743957,9.0
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCCCc2ccnc4ccccc24)CC3)cc1,CHEMBL1743956,9.0
+Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccccn1)CC3,CHEMBL1743935,7.59
+Fc1ccc(C(CCCN2CCc3[nH]c4ccc(F)cc4c3C2)c2ccc(F)cc2)cc1,CHEMBL1743955,7.74
+c1cnc(N2CCN(CCCN3CCc4[nH]c5ccccc5c4C3)CC2)nc1,CHEMBL1743947,7.22
+c1ccc(C2CN(CCc3ccccn3)Cc3c2[nH]c2ccccc32)cc1,CHEMBL1743954,6.22
+c1ccc(C2CN(CCCCc3ccncc3)Cc3c2[nH]c2ccccc32)cc1,CHEMBL1743960,6.39
+c1ccc2nc(CCN3CCc4[nH]c5ccccc5c4C3)ccc2c1,CHEMBL1743950,6.48
+Clc1ccc2[nH]c3c(c2c1)CN(CCCCc1ccncc1)CC3,CHEMBL1743959,6.97
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2cnccn2)CC3)cc1,CHEMBL1743958,8.3
+Clc1ccc2[nH]c3c(c2c1)CN(CCCN1CCN(c2ncccn2)CC1)CC3,CHEMBL1743934,7.26
+Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccncc1)CC3,CHEMBL1743952,6.96
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2ccccn2)CC3)cc1,CHEMBL1743943,8.15
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCCCc2ccncc2)CC3)cc1,CHEMBL1743945,8.15
+Clc1ccc2[nH]c3c(c2c1)CN(CCc1ccc2ccccc2n1)CC3,CHEMBL1743962,7.09
+c1ccc(C2CN(CCCc3cccnc3)Cc3c2[nH]c2ccccc32)cc1,CHEMBL1743953,6.85
+Clc1ccc2[nH]c3c(c2c1)CN(CCc1ccccn1)CC3,CHEMBL1743941,6.99
+Fc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3,CHEMBL1743949,6.98
+Clc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3,CHEMBL1743938,6.9
+Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2ccncc2)CC3)cc1,CHEMBL1743937,7.92
+Fc1ccc2[nH]c3c(c2c1)CN(CCCCc1ccncc1)CC3,CHEMBL1743939,6.84
+Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccc2ccccc2n1)CC3,CHEMBL1743942,6.73
+CCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL162767,7.12
+FCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL354455,7.33
+CC(C)=CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL163469,7.74
+C=CCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL423612,7.26
+CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL161940,7.47
+COCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL350145,6.6
+Brc1cccc2c1[C@@H]1CCN(CC3CC3)[C@@H]1CC2,CHEMBL163134,6.92
+CCCN1CC[C@H]2c3c(cccc3C(=O)C(C)C)CC[C@H]21,CHEMBL421848,7.21
+C=CCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL164195,8.49
+CCCC(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2,CHEMBL349604,7.66
+ClCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL421839,7.14
+CN1CC[C@H]2c3c(Br)cccc3CC[C@H]21,CHEMBL161891,7.39
+CCCN1CC[C@H]2c3c(cccc3C(C)=O)CC[C@H]21,CHEMBL351234,7.04
+CCCN1CCC[C@@H](c2ccc(O)c(O)c2)C1,CHEMBL1907814,7.92
+CCCN1CCC[C@H](c2ccc(O)c(O)c2)C1,CHEMBL1907969,7.96
+CN1CCc2cc(O)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL56100,5.62
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@H]21,CHEMBL58422,5.52
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL298406,6.29
+COc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1N(C)CC2,CHEMBL292451,5.61
+CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21,CHEMBL56666,5.25
+CN1CCc2ccc(O)cc2[C@H]2c3ccccc3CC[C@@H]21,CHEMBL294221,5.1
+COc1cc2c(cc1O)CCN(C)[C@H]1CCc3ccccc3[C@H]21,CHEMBL294215,5.19
+Cc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1N(C)CC2,CHEMBL58205,5.82
+CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@H]21,CHEMBL294012,4.79
+CN1CCc2cc(Cl)c(O)cc2C2c3ccccc3CCC21,CHEMBL59139,5.39
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL435869,6.45
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL144210,6.16
+COc1ccccc1N1CCN(CCCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL147954,6.81
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL358580,6.1
+COc1ccccc1N1CCN(CCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,CHEMBL424115,6.78
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL356965,6.44
+O=C(c1cccc(CN2CCC(c3ccccc3)C2)c1)N1CCCCC1,CHEMBL281214,6.11
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccccc2)C1,CHEMBL28831,6.71
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccccc2)C1,CHEMBL282822,7.11
+O=C(c1cccc(CN2CCC(c3ccc(Cl)cc3)C2)c1)N1CCCCC1,CHEMBL280534,6.48
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(F)cc2)C1,CHEMBL417661,6.58
+O=C1c2ccccc2CN1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28884,6.73
+O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(c2ccc(Cl)cc2)C1,CHEMBL28946,6.49
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304767,7.21
+C=CCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304984,7.23
+CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71640,6.64
+CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL420191,7.05
+CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL304426,7.207999999999999
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1,CHEMBL1744041,8.24
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788198,7.21
+CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL71469,6.82
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL2112317,6.07
+CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL70680,7.89
+CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL72062,7.6
+CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL423127,6.87
+CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788197,8.24
+CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1,CHEMBL72285,8.26
+CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744039,7.55
+CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL312525,7.22
+CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL305837,7.85
+CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL303921,7.55
+CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1744040,7.89
+CN(C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1,CHEMBL1788196,6.6
+CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL63449,5.44
+CCCN(CCC)C1CCc2cc3cc[nH]c3cc2C1,CHEMBL305341,6.46
+CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1,CHEMBL26998,6.08
+CCCN(CCC)[C@H]1CCc2cccc(O)c2C1,CHEMBL41436,5.29
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1,CHEMBL65274,6.42
+c1cnc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)nc1,CHEMBL275278,6.24
+FC(F)(F)c1ccc(CN2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)cc1,CHEMBL12755,5.92
+c1ccc2nc(CCCCN3CCc4c([nH]c5ccccc45)C3)ccc2c1,CHEMBL12533,6.97
+Fc1ccc(C(CCCN2CCc3c([nH]c4ccccc34)C2)c2ccc(F)cc2)cc1,CHEMBL12416,6.84
+c1ccc2c3c([nH]c2c1)CN(CCCc1ccncc1)CC3,CHEMBL440456,5.95
+Fc1ccc2[nH]c3c(c2c1)CCN(CCCCc1ccnc2ccccc12)C3,CHEMBL13120,6.71
+Clc1cccc(N2CCN(CCCn3c4c(c5ccccc53)CCN(CCCc3cccnc3)C4)CC2)c1,CHEMBL12564,6.51
+c1ccc2c(CCCCN3CCc4c([nH]c5ccccc45)C3)ccnc2c1,CHEMBL12312,6.76
+Clc1ccc2[nH]c3c(c2c1)CCN(CCc1ccncc1)C3,CHEMBL273618,6.11
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)cc1,CHEMBL12460,6.84
+c1cncc(CCCN2CCc3c([nH]c4ccccc34)C2)c1,CHEMBL274410,5.57
+FC(F)(F)c1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)c1,CHEMBL12726,6.39
+Clc1cccc(N2CCN(CCCn3c4c(c5ccccc53)CCN(CCc3ccccn3)C4)CC2)c1,CHEMBL12429,6.67
+c1ccc(Cn2c3c(c4ccccc42)CCN(CCc2ccccn2)C3)cc1,CHEMBL267775,6.73
+Fc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3,CHEMBL12662,6.67
+c1ccc2c3c([nH]c2c1)CN(CCCCCCCc1ccncc1)CC3,CHEMBL12347,6.6
+c1ccc2c3c([nH]c2c1)CN(CCCCc1ccncc1)CC3,CHEMBL274446,6.225
+c1ccc2nc(CCN3CCc4c([nH]c5ccccc45)C3)ccc2c1,CHEMBL274781,6.81
+OC1(c2ccc(Cl)cc2)CCN(CCCn2c3c(c4ccccc42)CCN(CCc2ccccn2)C3)CC1,CHEMBL12491,7.04
+O=C(CCCn1c2c(c3ccccc31)CCN(CCc1ccccn1)C2)c1ccc(F)cc1,CHEMBL416708,6.93
+Fc1ccc2[nH]c3c(c2c1)CCN(CCCCc1ccncc1)C3,CHEMBL267773,6.14
+COc1ccc2c(c1)C(CCCN1CCN(C3CCCCC3)CC1)CCC2,CHEMBL75444,6.32
+COc1cccc2c1CCCC2CCCCN1CCN(C2CCCCC2)CC1,CHEMBL77220,5.44
+COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL53325,6.22
+COc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1,CHEMBL75878,5.37
+COc1cccc2c1CCCC2CCCCCN1CCN(C2CCCCC2)CC1,CHEMBL306365,5.61
+COc1cccc2c1CCCC2CCCCCCN1CCN(C2CCCCC2)CC1,CHEMBL74811,5.46
+COc1cccc2c1CCCC2N1CCN(C2CCCCC2)CC1,CHEMBL309064,5.94
+COc1cccc2c1CCCC2CCN1CCN(C2CCCCC2)CC1,CHEMBL74858,5.79
+COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL435949,6.36
+CCCN(CCC)C1CCC2=C(CCC/C2=N\O)C1,CHEMBL132575,5.65
+CCCN(CCC)C1CCc2c(ccc(O)c2O)C1,CHEMBL11845,8.52
+CCCN(CCC)C1CCC2=C(CCC/C2=N\OC)C1,CHEMBL130398,5.64
+Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL176169,6.9
+CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,CHEMBL275696,6.28
+CN1CCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL426763,9.37
+O=C1NCCN1CCN1CCN(C2Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL367087,6.9
+CN1CCN(C2=Cn3cccc3Sc3ccc(F)cc32)CC1,CHEMBL366679,8.07
+CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2,CHEMBL367875,5.42
+CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1,CHEMBL367045,7.763
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,7.68
+CN1CCN(C2=Cn3c(C=O)ccc3Sc3ccccc32)CC1,CHEMBL362060,5.87
+COCc1ccc2n1CC(N1CCN(C)CC1)c1cc(Cl)ccc1S2,CHEMBL175226,5.84
+CN1CCN(C2=Cn3cccc3Sc3ccc(Br)cc32)CC1,CHEMBL369367,9.35
+CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1,CHEMBL367180,6.07
+CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1,CHEMBL177455,8.46
+CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,CHEMBL7617,9.0
+COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC,CHEMBL340471,9.42
+COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,CHEMBL122533,10.44
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1,CHEMBL1169525,10.77
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC,CHEMBL2112607,10.55
+COc1cc(N)c(Cl)cc1C(=O)N1CC2CCCC(C1)N2Cc1ccccc1,CHEMBL122445,10.48
+COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC,CHEMBL2112608,10.7
+COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC,CHEMBL124612,10.15
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC,CHEMBL2112605,10.42
+COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL125237,9.02
+Oc1cc2c(cc1Cl)CC[C@@H](CNCc1ccccc1)O2,CHEMBL134343,7.52
+c1ccc(CNCC2CCc3ccccc3O2)cc1,CHEMBL134655,7.29
+Cc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@H](NC(=O)C(C)(C)C)CN1C,CHEMBL336390,9.025
+Fc1ccc(CNCC2CCc3ccccc3O2)cc1,CHEMBL135211,7.13
+Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2,CHEMBL135725,7.18
+O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,CHEMBL408681,6.4
+Clc1ccc(OCCNCc2cccs2)c2c(Cl)c[nH]c12,CHEMBL64509,7.665
+Clc1ccc(OCCNCc2ccccc2)c2cc[nH]c12,CHEMBL64134,7.985
+O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(Cl)c2N1,CHEMBL61665,7.545
+Fc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1,CHEMBL64345,7.265
+Clc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1,CHEMBL60361,7.32
+Clc1ccc(OCCNCc2ccccc2)c2c(Cl)c[nH]c12,CHEMBL294204,7.925
+c1ccc(CCCCNCCOc2cccc3[nH]ccc23)cc1,CHEMBL59737,8.06
+O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(Cl)c2N1,CHEMBL294538,8.01
+O=C(c1c[nH]c2c(Cl)ccc(OCCNCc3ccccc3)c12)C(F)(F)F,CHEMBL60840,7.5
+COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C=CC(C5CC45)C3C2=O)CC1,CHEMBL1202507,7.8
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202513,7.07
+O=C1C2C3CCC(C4CCC43)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL28406,7.19
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1,CHEMBL29218,5.63
+O=C1C2C3C=CC(CCCC3)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL412258,6.46
+O=C1C2C3CCC(C4CC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202494,6.85
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1,CHEMBL424409,5.72
+O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL284203,6.38
+O=C1C2C3CCC(C4CCC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202512,7.28
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1,CHEMBL29155,6.16
+O=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL28352,6.61
+CC(C)=C1C2C=CC1C1C(=O)N(CCCCN3CCN(c4cncc(Cl)n4)CC3)C(=O)C21,CHEMBL281215,6.01
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL1202504,6.31
+O=C1C2C3CCC(C4CCC43)C2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1,CHEMBL31319,7.13
+O=C1C2CCCCC2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL28453,6.43
+COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1,CHEMBL42539,7.08
+COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,CHEMBL76168,6.03
+COc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1,CHEMBL25215,9.24
+COc1ccc(CCCCNCCOc2cc(C)cc3c2OCCC3)cc1,CHEMBL21475,8.75
+COc1ccc(CCCCNCCOc2ccc(F)c3c2OCCC3)cc1,CHEMBL278806,8.45
+COc1ccc(CCCCNCCOc2cc(O)cc3c2OCCC3)cc1,CHEMBL22802,8.75
+COc1ccc(CCCCNCCOc2cc(Cl)cc3c2OCCC3)cc1,CHEMBL22682,9.31
+COc1ccc(CCCCNCCOc2cc(OC)cc3c2OCCC3)cc1,CHEMBL25663,8.76
+COc1ccc(CCCCNCCOc2c(F)ccc3c2OCCC3)cc1,CHEMBL22328,7.67
+CCN1CCC[C@H]1CNC(=O)c1cc(I)cc2c1OCC2,CHEMBL48450,9.855
+CCN1CCC[C@H]1CNC(=O)c1cc2cc(I)ccc2cc1OC,CHEMBL301133,6.77
+CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc2ccccc12,CHEMBL296978,6.29
+CCN1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2cc1OC,CHEMBL49898,7.09
+CCN1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2cc1O,CHEMBL48721,6.55
+CCN1CCC[C@H]1CNC(=O)c1cccc2c1OCC2,CHEMBL301399,6.87
+CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OC,CHEMBL50484,7.52
+COc1ccccc1N1CCN(CCOC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL542983,7.87
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL553497,6.89
+O=C(N[C@@H](Cc1ccccc1)CN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL148617,5.77
+C[C@H](CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2,CHEMBL356575,6.82
+COc1ccccc1N1CCN(CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CHEMBL538791,6.75
+COc1ccccc1N1CCN(CCCOC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL545562,7.46
+O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL545793,6.78
+O=C(N[C@@H](Cc1ccccc1)CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL545096,5.47
+COc1ccccc1N1CCN(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL543692,6.7
+O=C(N[C@H](COCc1ccccc1)CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL539052,7.12
+O=C(OCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL540865,6.15
+COc1ccccc1N1CCN(CCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CHEMBL554204,7.03
+COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL543932,7.67
+O=C(N[C@H](Cc1ccccc1)CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL541345,5.85
+O=C(N[C@H](Cc1ccccc1)CN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL146343,7.7
+COc1ccccc1N1CCN(CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL539818,7.62
+CCN1CCC[C@@H]1CNC(=O)c1c(OC)ccc(I)c1O,CHEMBL8674,7.52
+O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1,CHEMBL554628,7.26
+COc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(C)C)cc3)[nH]2)CC1,CHEMBL432330,7.23
+COc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1,CHEMBL58962,7.6
+COc1ccccc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)[nH]2)CC1,CHEMBL301035,8.36
+COc1ccccc1N1CCN(Cc2ccc(-c3c(F)cccc3F)[nH]2)CC1,CHEMBL56548,8.96
+COc1ccccc1C1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1,CHEMBL57945,9.0
+COc1ccccc1-c1ccc(CN2CCN(c3ccccc3OC)CC2)[nH]1,CHEMBL60593,8.19
+Fc1ccc(-c2ccc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]2)cc1,CHEMBL411722,7.72
+O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1,CHEMBL59171,7.92
+Fc1ccc(-c2ccc(CN3CCC(c4ccccc4)CC3)[nH]2)cc1,CHEMBL292642,7.96
+OCCN1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1,CHEMBL299283,4.51
+COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2-c2ccccc2)CC1,CHEMBL300993,6.8
+COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1,CHEMBL61365,9.12
+COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2C)CC1,CHEMBL57985,7.7
+CCCn1c(CN2CCN(c3ccccc3OC)CC2)ccc1-c1ccc(F)cc1,CHEMBL291553,6.96
+Fc1ccc(-c2ccc(CN3CCN(c4cccc5ccoc45)CC3)[nH]2)cc1,CHEMBL292187,9.35
+c1ccc(-c2ccc(CN3CCN(c4cccc5c4OCCCO5)CC3)[nH]2)cc1,CHEMBL61294,9.17
+COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2CCO)CC1,CHEMBL59457,7.28
+Fc1ccc(-c2ccc(CN3CCN(c4ccc(F)cc4)CC3)[nH]2)cc1,CHEMBL57901,7.8
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1,CHEMBL58099,6.92
+O=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1,CHEMBL58613,8.29
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1,CHEMBL423712,7.7
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1,CHEMBL135135,8.3
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(C)O)c2)CC1,CHEMBL341402,7.25
+Cc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL439607,6.52
+Cc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1,CHEMBL340268,7.06
+Cc1ccccc1N1CCN(Cc2cccc(C(O)C(C)C)c2)CC1,CHEMBL135107,7.05
+Cc1ccccc1N1CCN(Cc2cccc(C(O)C3CCCCC3)c2)CC1,CHEMBL134304,7.8
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CNC3=S)c2)CC1,CHEMBL334767,7.51
+CCC(C)(O)c1cccc(CN2CCN(c3ccccc3C)CC2)c1,CHEMBL135129,6.7
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)c2)CC1,CHEMBL416703,6.92
+CCCCNCc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)cc1,CHEMBL3392290,7.49
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CNC3=O)c2)CC1,CHEMBL443546,7.64
+CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CC(=O)NC3=O)c2)CC1,CHEMBL135938,7.05
+CC(=O)OCc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1,CHEMBL135676,7.29
+C[N+](C)(C)NCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL21398,5.31
+C[N+](C)(N)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL21564,6.09
+CCCN1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1,CHEMBL311730,5.2
+N#Cc1cccc([C@@H]2CCCN(CC3CC3)C2)c1,CHEMBL328894,5.51
+CCCN1CCC[C@@H](c2cccc(N)c2)C1,CHEMBL93679,5.7
+CCCN1CCC[C@@H](c2cccc(CC#N)c2)C1,CHEMBL93917,5.91
+CCN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL90798,5.63
+CCCN1CCC[C@@H](c2cccc(C(=O)OC)c2)C1,CHEMBL93900,5.66
+CCc1sccc1N1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL93570,6.99
+CCCN1CCC[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)C1,CHEMBL329443,5.47
+CCCCN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL96191,6.21
+CC(C)N1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL93383,6.14
+CCCN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL92183,5.94
+CCCN1CCC[C@@H](c2cccc(-c3ccsc3)c2)C1,CHEMBL314536,6.12
+N#Cc1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)c1,CHEMBL94811,7.1
+CCCN1CCC[C@@H](c2cccc(CO)c2)C1,CHEMBL93101,6.39
+CCCN1CCC[C@@H](c2cccc(OC)c2)C1,CHEMBL93582,5.46
+N#Cc1cccc([C@@H]2CCCNC2)c1,CHEMBL93682,5.57
+C=CCN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL93212,5.72
+CN1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL90662,5.08
+CCCN1CCC[C@@H](c2cccc(OS(C)(=O)=O)c2)C1,CHEMBL93594,5.38
+N#Cc1cccc([C@@H]2CCCN(CCc3ccccc3)C2)c1,CHEMBL93646,6.98
+CCCN1CCC[C@@H](c2cccc(OCC(F)(F)F)c2)C1,CHEMBL93946,5.78
+CCCN1CCC[C@@H](c2cccc(C(C)=O)c2)C1,CHEMBL90797,5.18
+CCC(C)N1CCC[C@@H](c2cccc(C#N)c2)C1,CHEMBL413483,5.98
+CCCN1CCC[C@@H](c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)C1,CHEMBL92630,5.88
+CCCN1CCC[C@@H](c2cccc(Br)c2)C1,CHEMBL92817,6.27
+O=S(=O)(Oc1cccc([C@@H]2CCCN(CCc3ccccc3)C2)c1)C(F)(F)F,CHEMBL328119,7.4
+CCCN1CCC[C@@H](c2ccccc2)C1,CHEMBL315890,5.83
+CCCc1cccc([C@@H]2CCCN(CCC)C2)c1,CHEMBL328785,6.41
+CCCN1CCC[C@@H](c2cccc(SC)c2)C1,CHEMBL92938,6.07
+CCCN1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1,CHEMBL328448,4.93
+CCCN1CCC2c3cccc(OS(=O)(=O)C(F)(F)F)c3CCC21,CHEMBL92682,7.09
+CCCN1CCC[C@@H](c2cccc(C)c2)C1,CHEMBL93234,6.03
+CCCN1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL328431,5.2
+CCN1CCC[C@@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL329139,5.93
+CCCN1CCC[C@@H](c2ccccc2OS(=O)(=O)C(F)(F)F)C1,CHEMBL93701,7.04
+C#Cc1cccc([C@@H]2CCCN(CCC)C2)c1,CHEMBL93283,6.15
+CCCN1CCC[C@@H](c2cccc(C=O)c2)C1,CHEMBL92578,5.95
+CN1CCC[C@@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1,CHEMBL94224,4.93
+CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1,CHEMBL110239,6.58
+CN1CCc2cc(O)c(Cl)cc2CC1,CHEMBL340006,6.58
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCCCC2)C1,CHEMBL336532,5.92
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCCC2)C1,CHEMBL422796,5.75
+CN1CCc2cc(Cl)c(O)cc2C(C2=CCCCC2)C1,CHEMBL131054,5.8
+CCCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL130851,5.94
+CN1CCc2cc(Cl)c(O)cc2C(C2=CCCC2)C1,CHEMBL340855,5.81
+CCSC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL338237,5.57
+CN1CCc2cc(Cl)c(O)cc2C(C2C=CC=CC=C2)C1,CHEMBL128649,5.74
+C=CCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL334728,6.55
+CN1CCc2cc(Cl)c(O)cc2C(C2CCCC2)C1,CHEMBL339342,5.69
+C#CCC1CN(C)CCc2cc(Cl)c(O)cc21,CHEMBL127843,6.2
+CN1CCc2cc(Cl)c(O)cc2C2(CCCC2)C1,CHEMBL336610,5.65
+CN1CCc2cc(Cl)c(O)cc2C(C2C=CCCC2)C1,CHEMBL130328,6.24
+CCCN1CC[C@H]2c3c(ccc4ccoc34)CC[C@H]21,CHEMBL328107,6.82
+CCCN(CCC)C1CCc2c(ccc3ccoc23)C1,CHEMBL96735,7.74
+CCCN(CCC)C1CCc2ccc3occc3c2C1,CHEMBL314548,7.19
+CCCN(CCC)C1CCc2ccc3ccoc3c2C1,CHEMBL93186,7.49
+CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C,CHEMBL433002,7.34
+COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3cccc(OC)c32)CC1,CHEMBL283211,7.4
+COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26677,8.52
+COc1cccc(C(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL26135,7.25
+COc1cc(N)c(Cl)cc1C(=O)NCCN1CCN(c2ccccc2OC)CC1,CHEMBL26758,7.49
+COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL286725,6.85
+COc1cccc2c1N1CCN(C)CC1c1ccccc1C2,CHEMBL324270,7.55
+COc1cccc2c1N1CCN(C)C[C@@H]1c1ccccc1C2,CHEMBL111184,6.34
+COc1cccc2c1N1CCN(C)C[C@H]1c1ccccc1C2,CHEMBL113238,7.7
+CN1CCN2c3ncccc3Cc3ccccc3C2C1,CHEMBL654,5.84
+Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2,CHEMBL298285,6.19
+c1ccc(CC2NCCc3ccccc32)cc1,CHEMBL21640,5.45
+Oc1ccc(CC2NCCc3ccccc32)cc1O,CHEMBL44877,5.06
+COc1cc2c(cc1Br)CCN(CCCCN(C)C)CC2c1ccccc1,CHEMBL135834,5.6
+NCCCC(=O)N1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL422086,5.13
+NCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL133094,5.37
+CCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL132545,5.63
+O=CNCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL137636,5.69
+NCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL137637,5.6
+COc1cc2c(cc1Cl)CCN(CCCCN(C)C)CC2c1ccccc1,CHEMBL132981,5.04
+CNCCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,CHEMBL108480,5.45
+CCCc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL348014,7.89
+Cn1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1CN1CCCC1=O,CHEMBL153219,7.18
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL152776,8.02
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2-c2ccccc2)CC1,CHEMBL152424,7.1
+Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)ccc1CN1CCCC1=O,CHEMBL357532,7.0
+CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1,CHEMBL347782,8.48
+Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)ccc1CN1CCCCC1=O,CHEMBL153451,7.45
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1,CHEMBL346168,9.19
+CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL357286,8.34
+CCOc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL348241,8.03
+CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL347334,8.17
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1,CHEMBL347056,8.3
+CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1,CHEMBL152458,8.64
+CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL153136,8.96
+Cn1c(CN2CCN(c3ccccc3C#N)CC2)ccc1CN1CCCC1=O,CHEMBL152204,6.0
+CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1,CHEMBL155506,8.85
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL153490,7.26
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL345506,8.48
+Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL151966,6.78
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1,CHEMBL434512,8.8
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1,CHEMBL152363,8.15
+CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1,CHEMBL152311,9.35
+COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)[nH]2)CC1,CHEMBL152336,7.27
+CCc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1,CHEMBL153335,7.65
+CCCCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1,CHEMBL348002,8.51
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL337181,9.92
+COc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL135722,10.33
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccc(I)cc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL335714,9.67
+Cc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1,CHEMBL134545,10.17
+CCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL136942,10.24
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1I)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL135500,10.2
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CN2c1ccccc1)c1ccc(F)cc1,CHEMBL135860,9.92
+COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1,CHEMBL335606,10.06
+CC(C)CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL334349,10.41
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1F)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL137309,10.37
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL134400,10.64
+CCCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL135316,10.21
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccc(F)cc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL538404,10.16
+Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL135832,10.48
+O=C(CCCN1CCC2(CC1)C(=O)N(CCc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL337149,10.46
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1,CHEMBL137648,10.64
+CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL135917,10.54
+CC(C)CCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL344399,10.2
+CCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CHEMBL136852,10.44
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1,CHEMBL71920,6.27
+CCCN(CCC)C1CCc2ccc3c(CC(F)(F)F)c[nH]c3c2C1,CHEMBL110032,5.63
+CCCN(CCC)C1CCc2ccc3c(c2C1)NCC3,CHEMBL109268,6.19
+CCCN(CCC)C1CCc2ccc3cc[nH]c3c2C1,CHEMBL308143,6.84
+CCCN(CCC)C1CCc2cc3c(C=O)c[nH]c3cc2C1,CHEMBL113378,6.15
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1,CHEMBL71474,7.14
+CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1,CHEMBL70985,6.42
+CCCN(CCC)C1CCc2ccc3c(c2C1)CC(=O)N3,CHEMBL71091,7.96
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL304573,8.36
+CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1,CHEMBL302263,6.26
+CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL70652,6.7
+CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1,CHEMBL70882,7.07
+CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1,CHEMBL71247,6.33
+CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL305743,8.55
+CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1,CHEMBL71299,6.29
+CCCN(CCC)C1CCc2c(ccc(F)c2N)C1,CHEMBL71676,7.07
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,CHEMBL70710,8.11
+CCCc1c[nH]c2c(F)cc3c(c12)CC(N(CCC)CCC)CC3,CHEMBL71663,8.23
+CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1,CHEMBL71176,7.32
+CN1CCc2c([nH]c3ccccc23)Cc2[nH]c3ccccc3c2CC1,CHEMBL62529,7.1
+CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,CHEMBL441618,8.22
+COc1cc2c(cc1OC)Cc1[nH]c3ccccc3c1CCN(C)CC2,CHEMBL63063,6.14
+c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1,CHEMBL179648,8.44
+CN1CCN(C2=Cn3cccc3Sc3sccc32)CC1,CHEMBL180319,8.08
+CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1,CHEMBL179775,6.24
+CN1CCN(C2=Cc3cc(Cl)ccc3Cn3cccc32)CC1,CHEMBL179557,7.15
+Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1,CHEMBL178564,6.03
+N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,CHEMBL85606,5.55
+O=C1c2ccccc2CCC1CN1CCC(Cc2ccccc2)CC1,CHEMBL434905,5.96
+O=C1c2ccccc2OCC1CN1CCC(Cc2ccccc2)CC1,CHEMBL178519,5.96
+COc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2,CHEMBL179371,6.06
+c1ccc(CC2CCN(CC3Cc4ccccc4C3)CC2)cc1,CHEMBL179145,6.24
+c1ccc(CC2CCN(CC3CCc4ccccc4C3)CC2)cc1,CHEMBL180327,5.94
+c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1,CHEMBL179373,5.6
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccc(C)cc4)[nH]c3c2=O)CC1,CHEMBL190525,7.7
+COc1ccc(-c2cc3[nH]c(=O)n(CCCN4CCN(c5ccccc5OC)CC4)c(=O)c3[nH]2)cc1,CHEMBL190034,8.68
+COc1ccc(-c2cc3[nH]c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c3[nH]2)cc1,CHEMBL2113056,8.65
+O=c1[nH]c2cc[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL190384,6.49
+O=c1[nH]c2cc(-c3ccccc3Cl)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1,CHEMBL190301,7.56
+COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccc(Cl)cc4)[nH]c3c2=O)CC1,CHEMBL189437,8.44
+CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1,CHEMBL361875,5.92
+COc1cccc(OC)c1-c1cccc2c1CC[C@H](N(C)C)C2,CHEMBL363466,6.62
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1,CHEMBL186112,6.97
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL186316,6.29
+CCCN(CCC)[C@@H]1COc2c(cccc2-c2ccccc2OC)C1,CHEMBL361287,5.68
+CCCN(CCC)[C@H]1COc2c(cccc2-c2ccc(OC)cc2)C1,CHEMBL186758,6.13
+O=C1c2ccccc2CCCN1CCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1,CHEMBL273921,6.63
+O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1,CHEMBL370758,6.72
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL191226,6.17
+CCCN[C@H]1CCc2nc(N)sc2C1,CHEMBL301265,8.51
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,6.14
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.14
+Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,CHEMBL221692,8.4
+CC1(C)Oc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL219486,8.91
+C1=C(c2cncc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1,CHEMBL221920,9.35
+CC1(C)Cc2cccc(OCCNCc3cncc(C4=CCCC4)c3)c2O1,CHEMBL384657,9.56
+CC1(C)COc2c(OCCNCc3cccc(C4=CCCC4)c3)cccc21,CHEMBL221183,9.09
+CCC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL221131,7.94
+C1=C(c2cccc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1,CHEMBL218313,8.95
+CC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1,CHEMBL218261,9.38
+C1=C(c2cccc(CNCCOc3cccc4c3OCO4)c2)CCC1,CHEMBL441546,8.59
+C1=C(c2cccc(CNCCOc3cccc4c3OCCO4)c2)CCC1,CHEMBL375297,9.11
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CC2)c1,CHEMBL219111,9.22
+CC(C)Oc1ccccc1OCCNCc1cccc(C2CCCC2)c1,CHEMBL413777,9.25
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCC2)c1,CHEMBL220809,9.3
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCC2)c1,CHEMBL221743,8.81
+CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCCC2)c1,CHEMBL221957,8.51
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccco2)c1,CHEMBL376634,9.47
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccsc2)c1,CHEMBL386988,9.56
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2cccs2)c1,CHEMBL425810,9.25
+CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccccc2)c1,CHEMBL218217,9.71
+O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,CHEMBL218166,8.81
+Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,CHEMBL220808,7.72
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222301,5.89
+COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1,CHEMBL279841,6.31
+O=C(N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2,CHEMBL232449,5.75
+O=C(CC1CC2CCC1C2)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL232247,5.81
+O=C(C1CCCCC1)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL390659,5.98
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CHEMBL232246,5.95
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1,CHEMBL232036,5.86
+COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,CHEMBL232035,5.44
+O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL231825,4.67
+O=C(CC1CC2CCC1C2)N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL390037,6.11
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1,CHEMBL408589,5.67
+O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1,CHEMBL398209,4.9
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1,CHEMBL208905,5.75
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1,CHEMBL209007,6.06
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1,CHEMBL378298,5.68
+COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1,CHEMBL207493,6.04
+O=C1CCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL398181,5.11
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706925,6.46
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706924,6.97
+C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCc2cc(C(N)=O)ccc21,CHEMBL3706923,7.59
+N#Cc1ccc2c(N3CCN(CC[C@@H]4OCCc5cc(C(N)=O)ccc54)CC3)cccc2c1,CHEMBL391273,7.06
+C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL233210,6.54
+NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc3cc(F)ccc3c2)CC1,CHEMBL234449,6.15
+C[C@H]1CN(c2ccc3cc(F)ccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391272,5.93
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL234448,7.11
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21,CHEMBL391271,7.15
+C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(C(N)=O)ccc21,CHEMBL234447,8.33
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL233567,5.22
+CN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3,CHEMBL444368,5.15
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL233566,5.87
+COc1cc2c3c(c1)-c1c(ccc(C)c1O)C[C@H]3N(C)CC2,CHEMBL392447,5.42
+O=C(CCCN1CCN2CC3C(CC2C1)c1ccccc1N3CCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL393466,5.65
+O=C(CCCN1CCN2CC3Nc4ccccc4C3CC2C1)c1ccc(F)cc1,CHEMBL393622,7.03
+O=C(CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccc(F)cc1,CHEMBL136711,7.88
+S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1,CHEMBL236929,7.38
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1,CHEMBL237135,7.82
+COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1,CHEMBL237134,8.06
+c1ccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)cc1,CHEMBL396882,7.12
+FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1,CHEMBL237133,6.44
+COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1,CHEMBL396881,8.77
+CC1C(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1C,CHEMBL240111,5.44
+CC1C(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1C,CHEMBL240110,5.36
+O=C1C2CC=CCC2C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL239899,5.33
+O=C1C2CC=CCC2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,CHEMBL239898,5.57
+O=C1C2=C(CCCC2)C(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CHEMBL392051,5.58
+CCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3,CHEMBL118254,7.1
+Oc1cccc2c1-c1cccc3c1[C@@H](C2)NCC3,CHEMBL332332,6.0
+CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3,CHEMBL119593,6.6
+CCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3,CHEMBL257394,6.74
+CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(C)=O)c1-3,CHEMBL255229,7.14
+CCCN1CCc2cc(F)cc3c2[C@H]1Cc1cccc(OC=O)c1-3,CHEMBL258372,7.41
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL404137,8.42
+CCCN1CCc2cc(SC)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL258371,8.43
+COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,CHEMBL404136,6.12
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,CHEMBL228082,5.55
+COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,CHEMBL388342,6.43
+COc1cc2c3c(c1OC)Cc1ccccc1CC3NCC2,CHEMBL254147,4.89
+CCCN1CCc2cc(OC)c(OC)c3c2C1Cc1ccccc1C3,CHEMBL404241,4.85
+COc1cc2c3c(c1OC)Cc1ccccc1CC3N(Cc1ccccc1)CC2,CHEMBL253949,5.31
+Oc1cc2c3c(c1O)Cc1ccccc1CC3NCC2,CHEMBL253948,5.1
+CCCN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL404037,5.17
+CCN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL253947,4.8
+CN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1C3,CHEMBL253738,4.82
+COc1cc2c3c(c1)Cc1ccccc1CC3NCC2,CHEMBL402736,4.72
+CCCN1CCc2cc(OC)cc3c2C1Cc1ccccc1C3,CHEMBL253737,4.85
+CCN1CCc2cc(OC)cc3c2C1Cc1ccccc1C3,CHEMBL253736,5.01
+COc1cc2c3c(c1)Cc1ccccc1CC3N(C)CC2,CHEMBL402735,5.09
+Oc1cc2c3c(c1)Cc1ccccc1CC3NCC2,CHEMBL253530,4.7
+CCCN1CCc2cc(O)cc3c2C1Cc1ccccc1C3,CHEMBL402517,4.4
+CCN1CCc2cc(O)cc3c2C1Cc1ccccc1C3,CHEMBL253529,4.82
+CN1CCc2cc(O)cc3c2C1Cc1ccccc1C3,CHEMBL404865,5.05
+CN1CCc2ccc3c(=O)[nH]c4cccc5c4c3c2[C@H]1C5,CHEMBL253319,5.21
+CN1CCc2ccc3[nH]c(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL253318,7.26
+CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5,CHEMBL122485,6.57
+CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5,CHEMBL124419,6.27
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,CHEMBL27251,5.65
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N,CHEMBL281048,6.59
+CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27247,5.1
+CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282375,5.44
+CO[C@@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281923,7.15
+CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL281924,8.15
+C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL27132,7.41
+C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,CHEMBL282863,7.72
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O,CHEMBL417473,7.59
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@]3(C)O,CHEMBL27309,6.74
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O,CHEMBL285352,6.68
+CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O,CHEMBL26751,7.62
+CN1CCc2ccc3c4c2[C@@]1(C)Cc1cccc(c1-4)C3,CHEMBL403844,7.08
+COc1cc2c(cc1OC)-c1c(OC)c(O)c(I)c3c1[C@H](C2)N(C)CC3,CHEMBL401690,6.08
+COc1cc2c(cc1OC)-c1c(OC)c(O)c(Br)c3c1[C@H](C2)N(C)CC3,CHEMBL401689,6.21
+COc1cc2c(cc1OC)-c1c(OC)c(OC)c(I)c3c1[C@H](C2)N(C)CC3,CHEMBL401567,5.35
+COc1cc2c(cc1OC)-c1c(OC)c(OC)c(Br)c3c1[C@H](C2)N(C)CC3,CHEMBL403032,5.62
+COc1cc2c(cc1O)C[C@H]1c3c(c(I)c(O)c(OC)c3-2)CCN1C,CHEMBL256075,7.17
+COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C,CHEMBL225853,6.13
+CCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL405369,7.55
+COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2,CHEMBL270426,6.63
+S=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL272603,5.98
+CCCN1CCc2cc(OCCO)cc3c2[C@H]1Cc1cccc(O)c1-3,CHEMBL480149,7.01
+CN1CCc2cc(O)cc3c2[C@H]1Cc1cccc(OCCO)c1-3,CHEMBL480526,5.48
+CCCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3,CHEMBL480525,6.64
+CCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)N(C)CC3,CHEMBL520573,6.19
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccccc1-3,CHEMBL480524,6.64
+COc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2,CHEMBL520262,6.14
+COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1,CHEMBL477200,7.59
+COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1,CHEMBL476722,7.33
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1,CHEMBL514074,7.43
+COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1,CHEMBL477765,7.23
+c1cnc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL479026,6.27
+c1ccc(N2CCN(CCCSc3nc4ccccc4o3)CC2)nc1,CHEMBL517962,6.37
+c1ccc(N2CCN(CCCSc3nc4ccccc4s3)CC2)nc1,CHEMBL478413,6.34
+COc1cccc([C@H]2CC[C@@H](NCCOc3ccccn3)CC2)c1,CHEMBL487359,6.11
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4cccc5ccccc45)CC3)CC2)c1,CHEMBL487360,5.88
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL485728,5.62
+COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL485729,5.67
+COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL485929,6.1
+O=C(O)CN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL468498,6.04
+CN1CCc2cc(-c3cccc4c3oc3ccccc34)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL465696,5.79
+CN(C)c1ccc(-c2cc3c4c(c2)-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1,CHEMBL3216443,6.62
+Cc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL507567,7.68
+CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL458579,8.38
+CN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL458397,7.93
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL467540,6.58
+CCCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2nc(N)sc2C1,CHEMBL468017,7.252999999999999
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1,CHEMBL468016,6.643
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cn[nH]c2C1,CHEMBL467768,5.59
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nn[se]c2C1,CHEMBL467767,6.72
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nnsc2C1,CHEMBL466561,6.13
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2nocc2C1,CHEMBL469182,6.09
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2oncc2C1,CHEMBL469181,6.04
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2[nH]ncc2C1,CHEMBL468834,5.74
+C#CCN(CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2nc(N)sc2C1,CHEMBL468833,7.46
+C#CCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1,CHEMBL513352,7.09
+CCCN(CCCCN1CCN(c2ccccc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL468022,6.11
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL156639,6.85
+CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL511711,7.26
+CN1CCc2cc(N)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL276042,7.7
+CN1CCc2cc(F)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL18598,9.37
+COc1cc2c3c(c1)-c1c(ccc(O)c1O)CC3N(C)CC2,CHEMBL2115032,7.13
+CCCOc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL517491,7.12
+CCOc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL465055,7.36
+CCCCOc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL449461,7.22
+CN1CCc2cc(OCCO)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL457275,6.46
+CN1CCc2cc(OCCOCCO)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL516151,6.23
+CN1CCc2cc(OCCOCCOc3cc4c5c(c3)-c3c(ccc(O)c3O)C[C@H]5N(C)CC4)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL444149,4.77
+CN1CCc2cc(OCCOc3cc4c5c(c3)-c3c(ccc(O)c3O)C[C@H]5N(C)CC4)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL442926,6.46
+CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL492883,6.48
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2cc3ccccc3o2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494511,7.17
+Nc1nc2c(s1)C[C@@H](NCC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL494510,6.17
+Nc1nc2c(s1)C[C@@H](N(CCC1CCCCC1)CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,CHEMBL494509,5.92
+CC(C)CCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494309,6.46
+CCCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL494308,7.26
+CCCN(CC[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL495327,6.51
+CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1,CHEMBL492664,8.57
+COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3,CHEMBL495573,5.45
+Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL495572,7.12
+Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl,CHEMBL522044,6.67
+Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl,CHEMBL497988,7.2
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,CHEMBL496531,6.91
+O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1,CHEMBL497574,6.64
+N#Cc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc54)C3=O)CC2)c1,CHEMBL497573,6.47
+N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,CHEMBL497604,6.07
+O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1,CHEMBL461236,5.98
+COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3,CHEMBL461023,5.99
+COc1cccc2c1C1CCN(CCCCNC(=O)C3=Cc4ccccc4CN3)CC1=N2,CHEMBL517730,5.19
+CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(OC(C)=O)c1-3,CHEMBL513174,7.72
+CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(CCC)CC3,CHEMBL468056,7.05
+COc1cc2c3c(c1)-c1c(cccc1OC(C)=O)C[C@H]3N(C)CC2,CHEMBL468677,6.78
+CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3,CHEMBL482276,6.72
+Oc1cccc2c1C[C@@H]1CCCN(CCN3CCN(c4cccc(Cl)c4Cl)CC3)[C@H]1C2,CHEMBL456979,6.87
+Oc1cccc2c1C[C@@H]1CCCN(CCN3CCN(c4ccccc4)CC3)[C@H]1C2,CHEMBL514411,5.77
+Oc1cccc2c1CC[C@H]1[C@H]2CCCN1CCN1CCN(c2ccccc2)CC1,CHEMBL516296,7.47
+Oc1cccc2c1CC[C@@H]1[C@@H]2CCCN1CCN1CCN(c2ccccc2)CC1,CHEMBL513931,6.08
+Oc1ccc2c(c1)C[C@H]1[C@@H](CCCN1CCCCN1CCN(c3ccccc3)CC1)C2,CHEMBL456336,6.54
+Oc1ccc2c(c1)C[C@H]1[C@@H](CCCN1CCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,CHEMBL464183,6.47
+Oc1ccc2c(c1)C[C@@H]1[C@@H](CCCN1CCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,CHEMBL517014,6.83
+Oc1ccc2c(c1)C[C@@H]1[C@@H](CCCN1CCN1CCN(c3ccccc3)CC1)C2,CHEMBL463576,5.48
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL514885,6.597
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL456811,5.7
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL456597,6.61
+Oc1ccc2c(c1)[C@@H]1CCCN(CCN3CCN(c4ccccc4)CC3)[C@H]1CC2,CHEMBL456596,6.66
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2c(O)cccc2C1,CHEMBL457025,6.62
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL457024,7.59
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1,CHEMBL456825,7.39
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1,CHEMBL458088,6.09
+CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21,CHEMBL455497,5.56
+CCCN(CCC)[C@@H]1Cc2cccc(O)c2C[C@H]1C,CHEMBL15136,6.66
+Oc1ccc2c(c1)C[C@H]1[C@@H](CCCN1CCN1CCN(c3ccccc3)CC1)C2,CHEMBL464182,5.6
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL550089,6.94
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL549350,7.0
+CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL551776,6.84
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL563131,7.18
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL551959,7.52
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL556269,6.8
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1,CHEMBL551960,7.187
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1,CHEMBL556685,7.23
+CCCN(CCN1CCN(C(=O)c2[nH]nc3ccccc23)CC1)C1CCc2c(O)cccc2C1,CHEMBL561307,7.55
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3o2)CC1)C1CCc2c(O)cccc2C1,CHEMBL549968,6.88
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3s2)CC1)C1CCc2c(O)cccc2C1,CHEMBL559459,7.11
+CCCN(CCN1CCN(C(=O)c2cnc3ccccc3c2)CC1)C1CCc2c(O)cccc2C1,CHEMBL561511,6.8
+CCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL562460,6.94
+CCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL564909,7.85
+CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL562935,8.82
+CCCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL550180,8.04
+CCCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL550792,6.72
+CCCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL560721,8.7
+CCCCC1NCCc2cc(Cl)c(OC)cc21,CHEMBL574418,6.11
+CCCCC1c2cc(OC)c(Cl)cc2CCN1C,CHEMBL574110,5.42
+CCCCC1NCCc2cc(Cl)c(O)cc21,CHEMBL574111,7.08
+CCCCC1c2cc(O)c(Cl)cc2CCN1C,CHEMBL574112,6.4
+CCCCC1NCCc2cc(O)c(Cl)cc21,CHEMBL574296,7.22
+COc1cc2c(cc1Cl)CCNC2c1ccccc1,CHEMBL574340,5.21
+COc1cc2c(cc1Cl)CCN(C)C2c1ccccc1,CHEMBL574557,5.67
+COc1cc2c(cc1Cl)CCNC2Cc1ccccc1,CHEMBL572720,6.01
+COc1cc2c(cc1Cl)CCN(C)C2Cc1ccccc1,CHEMBL573412,5.82
+Oc1cc2c(cc1Cl)CCNC2Cc1ccccc1,CHEMBL574695,7.165
+COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565423,6.08
+COc1ccccc1N1CCN(CCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL585503,6.46
+Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL567496,6.12
+COc1ccccc1N1CCN(CCCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1,CHEMBL565405,6.84
+Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081687,9.01
+Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccnnc1,CHEMBL1081867,8.7
+Cc1nc(C)c(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)s1,CHEMBL1081746,9.19
+Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C,CHEMBL1081409,9.05
+Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3F)C2)n1C,CHEMBL1081023,8.38
+CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O,CHEMBL1098614,5.41
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1096275,4.81
+O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1098609,5.21
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1,CHEMBL1098286,6.17
+COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL1098287,6.02
+O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,CHEMBL1096620,5.74
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1,CHEMBL1172205,9.0
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1,CHEMBL1172204,7.15
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1,CHEMBL1172206,7.57
+Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1171823,7.96
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1,CHEMBL1171644,6.8
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL1171646,7.47
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)n1,CHEMBL1171824,7.62
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)c1,CHEMBL1172734,7.7
+c1ccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)cc1,CHEMBL1173017,7.39
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL1173018,7.36
+Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)n4)CC3)CC2)c1,CHEMBL1173077,7.48
+COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1,CHEMBL1173143,8.4
+CCCN(CCC)CCc1cccc2c1CC(=O)N2,CHEMBL589,5.57
+CCCN(CCN1CCN(c2nccc3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL571992,6.57
+CCCN(CCN1CCN(c2ccccn2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254689,6.99
+CCCN(CCN1CCN(c2ncccn2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254772,6.78
+CCCN(CCN1CCN(c2cccnc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254773,7.66
+CCCN(CCN1CCN(c2ccncc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254861,7.17
+CCCN(CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254862,7.23
+CCCN(CCN1CCN(c2ccc(I)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1254946,7.33
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2c(O)cccc2C1,CHEMBL1254947,7.27
+CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2c(O)cccc2C1,CHEMBL1255028,7.88
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2ccc(O)cc2C1,CHEMBL1253770,7.215
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,6.66
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,6.21
+OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1036,6.63
+COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1,CHEMBL1774101,6.37
+Cn1c(CN2CCC(c3ccccc3F)CC2)nc2ccccc21,CHEMBL607689,7.03
+Cn1c(CN2CCC(c3ccc(F)cc3)CC2)nc2ccccc21,CHEMBL1774103,7.62
+Cn1c(CN2CCC(c3ccc(Cl)cc3F)CC2)nc2ccccc21,CHEMBL1774107,7.04
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,CHEMBL593745,6.25
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ncccc21,CHEMBL1774108,6.39
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cnccc21,CHEMBL1774109,6.17
+COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1,CHEMBL1774112,5.61
+Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3F)CC2)nc2ncccc21,CHEMBL1774221,5.75
+Cn1c(CN2CCC(c3ccc(OC(F)(F)F)cc3F)CC2)nc2ncccc21,CHEMBL1774222,5.93
+C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CCN1Cc1nc2ncccc2n1C,CHEMBL1774224,6.23
+Cn1c(CN2[C@H]3CC[C@@H]2CC(c2ccc(C(F)(F)F)cc2)C3)nc2ncccc21,CHEMBL1774225,6.45
+C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F,CHEMBL1774229,5.79
+O=c1c2ccccc2nnn1OCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783349,7.07
+O=C1C2C3C=CC(C3)C2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1,CHEMBL1783351,6.58
+N#C/N=C(\NCCCN1CCN(c2cccc3ccccc23)CC1)c1ccncc1,CHEMBL1783352,5.8
+CN1CCc2cc(SC[C@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3216980,6.7
+CN1CCc2cc(SC[C@@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3216523,7.26
+CN1CCc2cc(SCCN)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL3215641,8.02
+CN1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1802234,6.24
+COC(=O)[C@@H](N)CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2,CHEMBL3216759,8.0
+CN1CCc2cc(SCCC(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,CHEMBL1802236,6.4
+CN1CCc2c3c(cc4c2[C@H]1Cc1ccc(O)c(O)c1-4)SCCC3=O,CHEMBL1802237,6.38
+COc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084420,6.0
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c(OC)c1,CHEMBL3084422,6.19
+COc1ccc(OC)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084423,5.96
+COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1OC,CHEMBL3084424,4.16
+COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1,CHEMBL3084425,4.88
+COc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc(OC)c1OC,CHEMBL3084426,4.28
+COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3084428,6.29
+COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349052,6.76
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-],CHEMBL3349053,4.72
+COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1,CHEMBL3349054,7.74
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12,CHEMBL3349055,4.18
+O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1,CHEMBL3349056,6.69
+COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349059,5.62
+COc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349060,4.91
+COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1,CHEMBL3349061,6.99
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1cccc2ccccc12,CHEMBL3349062,5.4
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCO1)c1ccc2ccccc2c1,CHEMBL3349063,5.92
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12,CHEMBL3349064,5.54
+O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1,CHEMBL3349065,7.08
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC,CHEMBL3349066,8.03
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1OC,CHEMBL3349067,7.94
+COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC,CHEMBL3349068,7.55
+N#C/N=C(\NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1,CHEMBL1927095,7.08
+O=C1CSC(=O)N1CCCCCCCCNCC1CCc2ccccc2O1,CHEMBL1926760,6.39
+O=C1C2CCCN2C(=O)N1Cc1cccc(CNCC2CCc3ccccc3O2)c1,CHEMBL1926757,7.4
+O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,CHEMBL1949963,7.4
+O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1,CHEMBL1949967,6.79
+O=S(=O)(c1cnc2ccccc2c1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949976,7.25
+O=S(=O)(c1cncc2ccccc12)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL1949977,7.22
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1,CHEMBL2024521,7.03
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccccc3Cl)CC2)CC1,CHEMBL2024522,7.7
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC1,CHEMBL2024523,7.27
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,CHEMBL2024524,6.41
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL2024525,6.97
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(Cl)ccc3Cl)CC2)CC1,CHEMBL2024675,8.09
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL2024676,6.96
+CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1,CHEMBL2024677,7.69
+CCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL269004,7.127999999999999
+CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152629,6.57
+CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152630,6.74
+CCCN(CCN1CCN(Cc2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152631,7.09
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152632,7.33
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152633,7.41
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152634,6.87
+CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2c(O)cccc2C1,CHEMBL2152745,7.12
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152746,6.02
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152747,5.97
+CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152748,5.59
+CCCN(CCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152749,6.03
+CCCN(CCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152750,6.27
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152751,5.82
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152752,6.04
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152753,5.88
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152754,5.91
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL2152755,5.99
+CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL2152756,5.58
+CCCN(CCN1CCN(C(=O)c2c[nH]c3ccc(O)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152757,5.97
+CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1,CHEMBL2152758,6.88
+CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206265,8.7
+CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206264,8.6
+CCCN(CCCCCCCCCc1ccccc1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206268,6.85
+CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1,CHEMBL2203317,7.16
+CCCN(CCCCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206267,7.26
+CCCN(CCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206266,7.96
+CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206273,8.41
+CCCN(CCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206272,8.23
+CCCN(CCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206271,7.12
+CCCN(CCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206270,7.15
+CCCN(CCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1,CHEMBL2206269,7.8
+N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2,CHEMBL65280,6.69
+Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,CHEMBL2333732,6.28
+Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL597601,6.415
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387629,5.97
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(C)cc2)C1,CHEMBL2387630,6.2
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(OC)cc2)C1,CHEMBL2387631,6.3
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387632,7.0
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1,CHEMBL2387633,7.19
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1,CHEMBL2387634,7.41
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NC(C)=O)cc2C1,CHEMBL2387635,5.89
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NC(=O)c3ccccc3)cc2C1,CHEMBL2387636,6.2
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1,CHEMBL2387637,7.04
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1,CHEMBL2387701,7.14
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3cc[nH]c3cc2C1,CHEMBL2387702,6.9
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3,CHEMBL2387703,4.8
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3nc[nH]c3cc2C1,CHEMBL2387704,5.89
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc3nc[nH]c3c2C1,CHEMBL2387705,6.28
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3[nH]c(=O)[nH]c3cc2C1,CHEMBL2387706,6.38
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3[nH]c(=S)[nH]c3cc2C1,CHEMBL2387707,6.64
+CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3nc[nH]c3cc2C1,CHEMBL2387708,6.35
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(N)cc2C1,CHEMBL2387710,5.57
+CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(N)cc2C1,CHEMBL2387709,6.22
+CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(N)cc2C1,CHEMBL252342,6.2
+O=C1CC(c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2O1,CHEMBL2387242,6.29
+O=c1cc(-c2ccccc2)c2ccc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387241,6.01
+Cc1cc(=O)oc2cc(OC/C=C/CN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387239,7.77
+Cc1cc(=O)oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387238,6.91
+Cc1cc(=O)oc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387237,6.93
+O=c1cc(-c2cccs2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387236,5.63
+COc1cccc(-c2cc(=O)oc3cc(OCCCCN4CCC(c5noc6cc(F)ccc56)CC4)ccc23)c1,CHEMBL2387235,6.1
+O=c1cc(-c2ccc(F)cc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387234,6.2
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)c2oc1=O,CHEMBL2387233,7.97
+Cc1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc2oc(=O)cc(C)c12,CHEMBL2387232,6.34
+Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387230,8.28
+Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387229,8.59
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C)CC1,CHEMBL2387228,6.07
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1,CHEMBL2387227,6.92
+Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O,CHEMBL2385102,8.4
+CC(C)c1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387246,5.63
+CCCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387245,8.41
+CCc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387244,5.71
+O=c1cc(C(F)(F)F)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387267,5.52
+O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387265,7.83
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1,CHEMBL2387250,6.25
+O=c1ccc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1,CHEMBL2387249,7.35
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc12,CHEMBL2387248,5.55
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,CHEMBL2387258,5.73
+Cc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1C,CHEMBL2387257,5.86
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc12,CHEMBL2387256,6.85
+COc1ccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CHEMBL2387255,6.38
+COc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1,CHEMBL2387254,6.81
+COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CHEMBL2387253,8.85
+Cc1ccc(S(=O)(=O)N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CHEMBL2387252,5.8
+Cc1cc(=O)oc2cc(OCCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)ccc12,CHEMBL2387251,6.74
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4nc5ccccc5s4)CC3)ccc12,CHEMBL2387262,6.62
+Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,CHEMBL2387260,8.31
+Cc1cc(=O)oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc12,CHEMBL2387259,6.75
+Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414358,6.31
+Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414357,6.6
+Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414356,6.17
+Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414355,6.1
+Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,CHEMBL2414354,5.72
+CN(C)CCc1cc2c(c3c1ccc1ccccc13)OCO2,CHEMBL492418,7.185
+CN(C)CCc1cc(O)c(O)c2c1ccc1ccccc12,CHEMBL2414992,7.36
+COc1cc(CCN(C)C)c2ccc3ccccc3c2c1OC,CHEMBL1186488,6.49
+CN1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3,CHEMBL36654,7.08
+CN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1-3,CHEMBL2414991,7.38
+COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2,CHEMBL2414990,6.72
+Oc1cccc2c1CN1CCc3cc4c(cc3C1C2)OCO4,CHEMBL2425378,7.505
+Oc1ccc2c(c1)CC1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2425377,5.14
+Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,CHEMBL2425376,7.05
+Oc1ccc2c(c1)CC1c3cc(O)c(O)cc3CCN1C2,CHEMBL2425375,6.405
+COc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,CHEMBL2425374,6.425
+COc1ccc2c(c1)CC1c3cc(OC)c(OC)cc3CCN1C2,CHEMBL2425373,5.18
+COc1ccc2c(c1)CC1c3cc4c(cc3CCN1C2)OCO4,CHEMBL2425372,5.91
+COc1ccc2c(c1)CC1c3cc(O)c(O)cc3CCN1C2,CHEMBL2425371,7.12
+COc1ccc2c(c1)CC1c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3CCN1C2,CHEMBL2425370,4.385
+Oc1ccc2c(c1)CC1c3cc(O)c(Cl)cc3CCN1C2,CHEMBL2425369,6.73
+COc1ccc2c(c1)CC1c3cc(OC)c(Cl)cc3CCN1C2,CHEMBL2425368,5.695
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,6.18
+Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL325262,6.89
+Clc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL3093270,7.11
+Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL3093269,6.08
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,6.49
+Clc1ccccc1N1CCN(CCc2ccccc2)CC1,CHEMBL3093268,7.17
+c1ccc(CCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL145867,6.03
+CCCCCCNC[C@H]1CCc2ccc(O)cc2O1,CHEMBL3115585,9.15
+CCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21,CHEMBL2106804,9.22
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCCC2,CHEMBL3120699,6.2
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)c(Cl)cc2c2c1CCC2,CHEMBL3120698,6.84
+O=c1oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120697,7.72
+Cc1c(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc2c3c(c(=O)oc12)CCC3,CHEMBL3120696,7.9
+O=c1oc2cc(OCCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120695,6.16
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)CC1,CHEMBL3120693,6.12
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2Cl)CCC4)CC1,CHEMBL3120691,6.8
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1,CHEMBL3120690,6.24
+O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2c1CCC2,CHEMBL3120688,7.61
+O=c1oc2cc(OCCCCN3CCC(c4nc5ccccc5o4)CC3)ccc2c2c1CCC2,CHEMBL3120165,5.72
+O=c1oc2cc(OCCCCN3CCN(c4nsc5ccccc45)CC3)ccc2c2c1CCC2,CHEMBL3120686,6.28
+COc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1,CHEMBL3120683,5.98
+COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CHEMBL3120682,8.25
+Cc1cccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1C,CHEMBL3120680,5.8
+O=c1oc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c2c1CCC2,CHEMBL3120678,5.72
+CCCN(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125998,5.78
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)ncc2C1,CHEMBL3125997,4.88
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)ncc2C1,CHEMBL3125996,6.13
+CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125995,7.15
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2c(O)cccc2C1,CHEMBL3125994,7.56
+CCCN(CCCCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125993,6.25
+CCCN(CCN1CCN(c2ccc(-c3ccccc3O)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125992,6.68
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1,CHEMBL3125991,5.82
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3125990,6.43
+CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3124951,6.46
+CCCN(CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125989,6.64
+CCCN(CCN1CCN(c2ccc(-c3ccccc3OC)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125988,6.56
+CCCN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3125987,6.46
+CCCN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125986,6.33
+CCCN(CCN1CCN(c2ccc(-c3ccc(OC)cc3)cc2)CC1)C1CCc2nc(N)sc2C1,CHEMBL3125985,6.67
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233142,7.49
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3)c1ccc(F)cc1,CHEMBL3233143,7.52
+CCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233144,7.18
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3Cc1ccccc1)c1ccc(F)cc1,CHEMBL3233147,7.07
+COc1cc2c3c(c1)N(C)CCN3[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)C[C@@H]21,CHEMBL3233149,7.34
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccccc3)CC[C@@H]12,CHEMBL3233406,7.37
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCOc3ccc(F)cc3)CC[C@@H]12,CHEMBL3233409,6.67
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCNC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233410,6.12
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12,CHEMBL3233411,6.76
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233412,6.72
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3[nH]nc4cc(F)ccc34)CC[C@@H]12,CHEMBL3233413,7.57
+Cc1ccn2c(=O)c(CCN3CC[C@H]4[C@@H](C3)c3cccc5c3N4CCN5C)c(C)nc2c1,CHEMBL3233416,5.52
+CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233419,7.02
+CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233420,7.01
+CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12,CHEMBL3233421,7.28
+CN1CCN2c3c(cccc31)[C@@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,CHEMBL3233423,6.83
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,CHEMBL3233427,7.57
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1,CHEMBL3233429,7.15
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3)c1ccc(F)cc1,CHEMBL3233431,7.3
+O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,CHEMBL3233432,7.39
+O=C(CCCN1CC[C@H]2c3cccc4c3N(CCO4)[C@H]2CC1)c1ccc(F)cc1,CHEMBL3233433,7.16
+Cn1c(=O)c2c(ncn2CCCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361003,5.11
+Cn1c(=O)c2c(ncn2CCCN2CCc3ccccc3C2)n(C)c1=O,CHEMBL3361002,5.57
+Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3361001,7.4
+COc1ccccc1N1CCN(CCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3361000,7.48
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+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O,CHEMBL3360998,7.14
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+Cn1c(=O)c2c(ncn2CCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360996,6.71
+COc1ccccc1N1CCN(CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360995,7.19
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+Cn1c(=O)c2c(ncn2CCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,CHEMBL3360993,5.5
+COc1ccccc1N1CCN(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1,CHEMBL3360992,6.03
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+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,6.59
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,7.15
+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1,CHEMBL3590093,7.1
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+COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1,CHEMBL3590089,7.23
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+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612361,7.7
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612360,7.85
+CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612359,7.01
+CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612358,6.92
+c1ccc2oc(-c3ccc(OCCCN4CCN(c5nsc6ccccc56)CC4)cc3)nc2c1,CHEMBL3634814,6.06
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6cc(Cl)ccc6o5)cc4)CC3)noc2c1,CHEMBL3634816,6.18
+Cc1cc(-c2nc3ccccc3o2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,CHEMBL3634817,5.8
+COc1cc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1-c1nc2ccccc2o1,CHEMBL3634818,5.92
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634813,7.66
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+Fc1ccc2c(C3CCN(CCCCOc4ccc(-c5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634822,5.66
+Fc1ccc2c(C3CCN(CCCOc4ccc(Cc5nc6ccccc6o5)cc4)CC3)noc2c1,CHEMBL3634821,7.97
+Fc1ccc2c(C3CCN(CCCOc4ccc(-c5nc6ccccc6o5)c(F)c4)CC3)noc2c1,CHEMBL3634819,6.84
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(C)=O)CC3)CC2)n1,CHEMBL3701893,7.46
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(N)=O)CC3)CC2)n1,CHEMBL3701894,7.46
+CCNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(C)=O)CC3)CC2)n1,CHEMBL3701895,7.46
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(=O)N4CCOCC4)CC3)CC2)n1,CHEMBL3701896,8.0
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+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(CCC(N)=O)CC3)CC2)n1,CHEMBL3701898,8.0
+CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(=O)N(C)C)CC3)CC2)n1,CHEMBL3701899,7.46
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(CN3CCC(c4noc5cc(F)ccc45)CC3)C2)cc1,CHEMBL3740680,5.96
+O=S(=O)(c1cccs1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742136,5.89
+O=S(=O)(c1ccc2ccccc2c1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740811,5.86
+O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)c1,CHEMBL3740759,6.12
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3739523,6.23
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3741292,8.06
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740256,7.49
+N#Cc1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742368,6.72
+O=S(=O)(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3742391,6.68
+Cc1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3739935,5.89
+O=S(=O)(c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741553,5.6
+COc1ccc(C(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3740636,5.92
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741140,6.71
+O=C(c1ccc(F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740807,7.06
+O=C(c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741596,5.89
+O=C(NCc1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3741924,5.9
+O=C(Nc1ccc(Cl)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1,CHEMBL3740925,7.07
+Cc1ccc(NC(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1,CHEMBL3742070,6.75
+N#CCN(CCN1CCN(c2ccc3cc[nH]c3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3742140,6.76
+N#CCN(CCN1CCN(c2ccc3[nH]ccc3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740778,7.06
+CCCN(CCN1CCN(c2cc(F)c3[nH]ccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740760,6.81
+CCCN(CCN1CCN(c2c(Cl)ccc3[nH]ccc23)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740286,7.13
+CCCN(CCN1CCN(c2ccc3cc[nH]c3c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1,CHEMBL3740041,7.79
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(F)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740829,6.0
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3741175,5.93
+CCCN(CCN1CCN(Cc2c[nH]c3cccc(OC)c23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3742273,5.73
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740143,6.07
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3742127,6.42
+CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1,CHEMBL3740474,5.79
+O=C(NCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3765471,5.77
+O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccncc1,CHEMBL3763474,5.85
+O=C(NCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccncc1,CHEMBL3763331,7.58
diff --git a/chembl_200/CHEMBL344.csv b/chembl_200/CHEMBL344.csv
new file mode 100644
index 0000000000000000000000000000000000000000..5927aa8951b3fcf08ce71b4b0be44fb6a67aedd5
--- /dev/null
+++ b/chembl_200/CHEMBL344.csv
@@ -0,0 +1,1431 @@
+N#Cc1cccc([C@H]2CC[C@@H](N(CCN3CC[C@@H](O)C3)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)c1,CHEMBL366161,5.69
+N#Cc1cccc([C@H]2CC[C@H](N(CCN3CC[C@@H](O)C3)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)c1,CHEMBL192923,6.67
+C[C@]1(c2cccc(C#N)c2)CC[C@H](N(CCN2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1,CHEMBL191388,6.41
+N#Cc1cccc(C2=CCC(N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1,CHEMBL190875,8.52
+N#Cc1cccc([C@@]23CC[C@@H](N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL188084,5.93
+N#Cc1cccc([C@]23CC[C@@H](N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL193260,8.067
+N#Cc1cccc([C@]23CC[C@@H](N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(Cl)c4)C[C@H]2C3)c1,CHEMBL190068,7.99
+N#Cc1cccc([C@@]23CC[C@@H](N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(Cl)c4)C[C@@H]2C3)c1,CHEMBL193164,8.06
+N#Cc1ccccc1[C@]12CC[C@@H](N(CCN3CC[C@@H](O)C3)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)[C@H]1C2,CHEMBL364500,8.15
+N#Cc1ccc([C@]23CC[C@@H](N(CCN4CCCC4)C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]2C3)cc1,CHEMBL372721,7.74
+CN1CCN(CCCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(C#N)cc4)C[C@H]23)CC1,CHEMBL190842,8.57
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1,CHEMBL179203,6.69
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2cccc(Cl)c2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL369392,7.59
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1,CHEMBL433608,6.52
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1,CHEMBL178998,6.62
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL179152,6.89
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL360732,7.7
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1,CHEMBL176230,5.97
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F,CHEMBL427484,4.65
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL176024,7.62
+CCNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL179425,8.37
+CN(C)CCC(CNC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL424961,9.08
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL360303,5.91
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1,CHEMBL175653,6.87
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2cccc(F)c2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL366934,7.43
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1,CHEMBL177955,7.0
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1,CHEMBL425521,4.73
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL179325,7.3
+COc1cccc(NC(=O)NCC(CCN2CCC(N3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1,CHEMBL175581,4.96
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2ccc(Cl)cc2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL179872,6.55
+Cc1cccc(NC(=O)NCC(CCN2CCC(N3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1,CHEMBL180009,5.17
+O=C(NCC(CCN1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1,CHEMBL435329,5.78
+CN(C)CCC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL175709,8.96
+N#Cc1cccc(-c2ccc(C(CCNC3CCCC3)CNC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1,CHEMBL176088,8.46
+CNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL179493,8.59
+CN(C)CCC(CNC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL177426,8.04
+CN(C)CCC(CNC(=O)Nc1cccc(F)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL367532,8.92
+CN(C)CCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL179326,8.33
+N#Cc1ccc(-c2ccc(C(CCNC3CCCC3)CNC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1,CHEMBL177900,7.34
+CN(C)CCC(CNC(=O)Nc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL175943,8.13
+CC(C)NCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL368417,8.25
+N#Cc1cccc(-c2ccc(C(CCN3CCCCC3)CNC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1,CHEMBL2112988,8.27
+CN(C)CCC(CNC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL175993,9.06
+CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL361215,9.01
+CN(C)CCC(CNC(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1,CHEMBL176548,8.62
+O=C(NCC(CCNC1CCCC1)c1ccc(-c2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL177981,6.91
+N#Cc1cccc(-c2ccc(N(C(=O)Nc3cc(Cl)cc(Cl)c3)C3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL364871,8.595
+O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)C1CCN(C2CCCC2)CC1,CHEMBL190219,7.7
+O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)C1CCN(C2CCCC2)CC1,CHEMBL363459,6.71
+O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(Cl)c2)cc1)C1CCN(C2CCCC2)CC1,CHEMBL433591,7.9
+N#Cc1cccc(-c2ccc(N(C(=O)Nc3ccccc3)C3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL188088,6.63
+N#Cc1cccc(-c2ccc(N(C(=O)Nc3cccc(Cl)c3)C3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL187721,8.24
+COc1cccc(NC(=O)N(c2ccc(-c3cccc(C#N)c3)cc2)C2CCN(C3CCCC3)CC2)c1,CHEMBL187719,7.01
+COc1ccc(NC(=O)N(c2ccc(-c3cccc(C#N)c3)cc2)C2CCN(C3CCCC3)CC2)cc1,CHEMBL371809,6.86
+N#Cc1cccc(-c2ccc(N(C(=O)Nc3ccc(F)c(Cl)c3)C3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL364162,8.8
+N#Cc1cccc(-c2ccc(N(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL363044,8.72
+CCN1CCC(N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c2ccc(-c3cccc(C#N)c3)cc2)CC1,CHEMBL191079,8.15
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+O=C(CNC1(c2ccc(-c3c(Cl)cccc3Cl)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210255,5.78
+O=C(CNC1(c2ccc(-c3cc(Cl)ccc3Cl)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL212093,7.28
+O=C(CNC1(c2ccc(-c3cc(F)cc(F)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL212750,6.85
+O=C(CNC1(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL211504,6.1
+O=C(CNC1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL208970,5.67
+O=C(CNC1(c2ccc(-c3ccccc3F)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210344,6.75
+O=C(CNC1(c2ccc(-c3ccccc3Cl)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210408,6.16
+O=Cc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL210531,7.68
+O=C(CNC1(c2ccc(-c3cccc(F)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL384676,7.0
+COc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL211139,7.11
+O=C(CNC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL209935,7.12
+O=C(CNC1(c2ccc(-c3cccc(Cl)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL377976,7.2
+O=C(CNC1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210818,6.55
+O=C(CNC1(c2ccc(-c3ccc(F)cc3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210436,6.74
+O=C(CNC1(c2ccc(-c3ccc(Cl)cc3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL210857,5.85
+O=C(CNC1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL212210,5.49
+N#Cc1ccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)cc1,CHEMBL378009,6.28
+O=C(CNC1(c2ccc(-c3ccccc3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1,CHEMBL379797,6.62
+N#Cc1cccc(-c2ccc(C3(OCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL413578,7.31
+N#Cc1cccc(-c2ccc(C3(OCC(=O)Nc4cc(Cl)cc(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL210274,8.7
+CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(C2CCCC2)CC1,CHEMBL211285,8.4
+CN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(C2CCCC2)CC1,CHEMBL377738,7.74
+CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)C1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(C2CCCC2)CC1,CHEMBL378994,8.05
+CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(C2CCCC2)CC1,CHEMBL379489,7.8
+N#Cc1cccc(-c2ccc(C3(NCC(=O)Nc4cc(F)cc(F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL209828,8.52
+N#Cc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL210715,8.52
+N#Cc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(C(F)(F)F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL208275,7.8
+N#Cc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL378180,7.64
+N#Cc1cccc(-c2ccc(C3(NCC(=O)Nc4cc(Cl)cc(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL212159,8.52
+N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4cc(F)cc(F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL378972,7.4
+N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL378269,6.89
+N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL380275,7.52
+N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4cc(Cl)cc(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1,CHEMBL210343,7.38
+CN(C)C1CCN(c2ccc(-c3coc4cc(C5=CCC6OCCOC6C5)ccc4c3=O)cn2)C1,CHEMBL213459,8.27
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccccc5)ccc4c3=O)cn2)C1,CHEMBL209542,8.39
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(F)cc5)ccc4c3=O)cn2)C1,CHEMBL438792,8.7
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1,CHEMBL378230,8.52
+CCc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,CHEMBL377479,8.06
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1,CHEMBL213540,8.0
+COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,CHEMBL212758,9.22
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3=O)cn2)C1,CHEMBL438615,7.62
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1,CHEMBL211736,7.85
+Cc1cc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)ccc1Cl,CHEMBL209416,8.0
+Cc1cc(Cl)ccc1-c1ccc2c(=O)c(-c3ccc(N4CCC(N(C)C)C4)nc3)coc2c1,CHEMBL214221,8.15
+COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)c(C)c1,CHEMBL385141,8.48
+COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)c(OC)c1,CHEMBL209905,7.8
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc6c(c5)OCO6)ccc4c3=O)cn2)C1,CHEMBL213949,8.33
+COc1ccncc1-c1ccc2c(=O)c(-c3ccc(N4CCC(N(C)C)C4)nc3)coc2c1,CHEMBL213933,7.74
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5cnccc5C(F)(F)F)ccc4c3=O)cn2)C1,CHEMBL378283,7.54
+CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1,CHEMBL534717,8.8
+CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1,CHEMBL213932,8.85
+CN(C)C1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1,CHEMBL387055,6.92
+CN(C)C1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1,CHEMBL209895,7.62
+CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccccc5)ccc4c3=O)cn2)C1,CHEMBL213641,8.14
+CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1,CHEMBL211619,7.55
+CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccc(F)cc5)ccc4c3=O)cn2)C1,CHEMBL213642,7.89
+Cc1ccc(Oc2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,CHEMBL214223,7.72
+CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1,CHEMBL210069,8.68
+COc1ccc(Oc2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,CHEMBL265365,6.86
+CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccc6c(c5)CCO6)ccc4c3=O)cn2)C1,CHEMBL214252,7.11
+CCNC(=O)Nc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)c1,CHEMBL375386,7.55
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C(C)(C)C)c4)C[C@H]23)CC1,CHEMBL434571,6.94
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C5CC5)c4)C[C@H]23)CC1,CHEMBL214254,8.17
+CC(C)C(=O)Nc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)c1,CHEMBL265089,7.82
+CCC(=O)Nc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)c1,CHEMBL215338,8.51
+CC(=O)Nc1ccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)cc1,CHEMBL213187,8.32
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(N)cc4)C[C@H]23)CC1,CHEMBL214907,8.36
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCCC5)c4)C[C@H]23)CC1,CHEMBL213840,7.24
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCC5)c4)C[C@H]23)CC1,CHEMBL377570,7.6
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(NC(=O)OCc5ccccc5)cc4)C[C@H]23)CC1,CHEMBL375132,6.86
+CNC(=O)c1ccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)[C@H]2C3)cc1,CHEMBL213649,7.77
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(S(C)(=O)=O)cc4)C[C@H]23)CC1,CHEMBL379978,8.07
+COc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)c1,CHEMBL210155,8.57
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1,CHEMBL379535,8.59
+COC(=O)c1ccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)[C@H]2C3)cc1,CHEMBL212922,8.27
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1,CHEMBL386552,7.89
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4nccs4)C[C@H]23)CC1,CHEMBL386512,7.25
+COc1ccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)[C@H]2C3)cn1,CHEMBL377664,8.07
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(N)noc5c4)C[C@H]23)CC1,CHEMBL209964,7.68
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(=O)[nH]c4)C[C@H]23)CC1,CHEMBL212979,7.37
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5onc(N)c5c4)C[C@H]23)CC1,CHEMBL378439,7.34
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(c4)CC(=O)N5)C[C@H]23)CC1,CHEMBL264350,7.82
+Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccccc2)cc1C,CHEMBL216192,8.11
+CS(=O)(=O)N1CCC(C2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,CHEMBL379201,6.14
+CC(=O)N1CCC(C2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,CHEMBL215850,6.03
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCCC3)CC2)c1,CHEMBL215259,8.0
+CC(C)N1CCC(C2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,CHEMBL384172,7.46
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCC3)CC2)c1,CHEMBL211984,7.82
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(CC3CC3)CC2)c1,CHEMBL215728,8.03
+COc1ccccc1CN1CCC(C2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,CHEMBL384115,7.8
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(Cc3ccoc3)CC2)c1,CHEMBL386411,7.85
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCSC3)CC2)c1,CHEMBL379002,8.15
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCOCC3)CC2)c1,CHEMBL379391,8.19
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCCCC3)CC2)c1,CHEMBL408332,8.01
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(CCCCCO)CC2)c1,CHEMBL378428,8.17
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(Cc3ccccc3)CC2)c1,CHEMBL262175,7.62
+CN1CCC(C2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,CHEMBL386041,7.66
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCNCC2)c1,CHEMBL425434,7.59
+O=C(CN1CCc2cc(-c3ccsc3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL425791,6.94
+O=C(CN1CCc2cc(-c3ccc[nH]3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL212230,6.34
+O=C(CN1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL379940,7.34
+O=C(CN1CCc2cc(-c3cccnc3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL384738,7.64
+O=C(CN1CCc2cc(-c3ccncc3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL215666,7.62
+O=C(CN1CCc2cc(-c3cccc4cccnc34)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL387025,6.1
+O=C(CN1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL384116,7.06
+O=Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCC3)CC2)c1,CHEMBL210167,7.11
+O=C(CN1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL377251,7.11
+O=C(CN1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL379457,6.72
+COc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCC3)CC2)c1,CHEMBL379004,7.02
+O=C(CN1CCc2cc(-c3cccc(Cl)c3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL214750,7.37
+O=C(CN1CCc2cc(-c3cccc(F)c3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL213050,7.14
+N#Cc1ccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCC3)CC2)cc1,CHEMBL263771,6.97
+O=C(CN1CCc2cc(-c3ccccc3)ccc2C1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL213383,6.77
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C3C2CCN(C3CCCC3)CC2)c1,CHEMBL212941,7.96
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(F)cc(C(F)(F)F)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL213464,7.27
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL212508,7.6
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(F)c(F)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL385947,7.46
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cccc(Cl)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL263975,7.35
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(Cl)cc2)C32CCN(CC3CC3)CC2)c1,CHEMBL212136,6.86
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(F)c(Cl)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL212756,7.62
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL212142,6.92
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL215118,6.86
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(F)cc(F)c2)C32CCN(CC3CC3)CC2)c1,CHEMBL215619,7.2
+CC(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CCN2CC(=O)Nc1cc(Cl)cc(Cl)c1,CHEMBL214185,6.08
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN(Cc3ccoc3)CC2)c1,CHEMBL215501,7.44
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+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN(C3CCCC3)CC2)c1,CHEMBL211978,7.8
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+CN1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CCN2CC(=O)Nc1cc(Cl)cc(Cl)c1,CHEMBL385218,7.42
+N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCNCC2)c1,CHEMBL386759,7.23
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+COc1cc(NC(=O)c2cccc(-c3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C,CHEMBL214584,5.3
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+COc1cc(NC(=O)c2ccc(-c3ccccc3C)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL213370,7.4
+COc1cc(NC(=O)c2cccc(Cc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C,CHEMBL213923,6.8
+COc1cc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL213922,7.1
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+COc1cc(NC(=O)c2ccc(-c3ccccc3)c(C)c2)ccc1OCCN(C(C)C)C(C)C,CHEMBL377658,6.8
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL212032,7.6
+COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C,CHEMBL385253,7.1
+COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL215141,6.7
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL385254,7.5
+CCc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(CC)CC,CHEMBL214494,7.3
+CCN(CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)O,CHEMBL386111,6.6
+CCN(CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)=O,CHEMBL214715,7.5
+Cc1cc(OCCN(C(C)C)C(C)C)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL214417,7.6
+CC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1F)C(C)C,CHEMBL213171,6.4
+Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL213386,7.2
+CC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(C)C,CHEMBL426147,7.2
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCCC1,CHEMBL213767,7.4
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL213255,7.55
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C)Cc1ccccc1,CHEMBL438966,7.3
+CCN(CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC,CHEMBL214968,7.5
+COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C)C,CHEMBL215493,7.3
+COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL441855,7.8
+CCN(CC)CCOc1ccc(N(CC)C(=O)c2ccc(-c3ccccc3)cc2)cc1OC,CHEMBL215898,6.6
+CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC,CHEMBL2110360,7.7
+COc1cc(N(C)C(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C,CHEMBL214527,6.4
+COc1cc(N(C)C(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL386600,7.1
+COc1cc(N(C)C(=O)c2ccc(C3CCCCC3)cc2)ccc1OCCN(C(C)C)C(C)C,CHEMBL213198,7.0
+COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL425263,7.7
+CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1OC,CHEMBL212890,7.7
+COc1cc(-n2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL214123,6.1
+COc1cc(-n2cnc3cc(-c4ccccc4)sc3c2=O)ccc1OCCN1CCCC1,CHEMBL214276,7.7
+COc1cc(-n2nnc3cc(Oc4ccccc4)ccc3c2=O)ccc1OCCN1CCCC1,CHEMBL216054,7.1
+COc1cc(-n2nnc3ccc(Oc4ccccc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL214081,7.4
+COc1cc(-n2nnc3cc(-c4ccccc4)ccc3c2=O)ccc1OCCN1CCCC1,CHEMBL384489,7.6
+COc1cc(-n2cnc3cc(Oc4ccccc4)ccc3c2=O)ccc1OCCN1CCCC1,CHEMBL215261,7.3
+COc1cc(-n2cnc3ccc(Oc4ccccc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL217610,6.5
+COc1cc(-n2cnc3cc(-c4ccccc4)ccc3c2=O)ccc1OCCN1CCCC1,CHEMBL386925,7.7
+COc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL386753,6.0
+COc1cc(N2C(=O)c3ccc(Sc4ccccc4)cc3C2=O)ccc1OCCN1CCCC1,CHEMBL217210,7.5
+COc1cc(N2C(=O)c3ccc(Nc4ccccc4)cc3C2=O)ccc1OCCN1CCCC1,CHEMBL386050,7.8
+COc1cc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)ccc1OCCN1CCCC1,CHEMBL215508,7.7
+COc1cc(N2C(=O)c3ccc(-c4ccccc4)cc3C2=O)ccc1OCCN(C(C)C)C(C)C,CHEMBL438637,6.9
+COc1cc(N2Cc3ccc(-c4ccccc4)cc3C2=O)ccc1OCCN(C(C)C)C(C)C,CHEMBL215257,6.4
+CC(C)N(CCOc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1)C(C)C,CHEMBL441696,5.7
+O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2oc3ccccc3c2c1,CHEMBL214504,5.6
+CC(C)N(CCOc1ccc(N(C)C(=O)c2ccc3c(c2)CCc2ccccc2-3)cc1)C(C)C,CHEMBL214941,6.5
+O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2c(c1)CCc1ccccc1-2,CHEMBL215075,6.0
+CC(C)N(CCOc1ccc(N(C)C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1)C(C)C,CHEMBL377541,6.4
+O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2,CHEMBL387081,6.3
+CC(C)N(CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1)C(C)C,CHEMBL215614,6.7
+CCN1CCN(Oc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2OC)CC1,CHEMBL212488,7.1
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC12CCCN(CC1)C2,CHEMBL212487,7.3
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@H]1CCCC[C@@H]1N(C)C,CHEMBL383972,5.6
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC[C@@H]1CCCN1C,CHEMBL383971,7.4
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC[C@H]1CCCN1C,CHEMBL385054,7.1
+COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC1CCN(C)C1,CHEMBL218030,7.2
+COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)cc2)c(C)c1,CHEMBL385496,8.27
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N[C@@H](C)COC)C4)C3)cc2)cc1,CHEMBL214078,7.875
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N[C@@H](C)C(C)C)C4)C3)cc2)cc1,CHEMBL215754,8.4
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N5CCOCC5)C4)C3)cc2)cc1,CHEMBL215945,7.18
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N5CCCCC5)C4)C3)cc2)cc1,CHEMBL214660,8.4
+COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCOCC5)C4)C3)s2)cc1,CHEMBL384282,8.0
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCOCC5)C4)C3)s2)cc1,CHEMBL217300,8.65
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N(C)CC(F)(F)F)C4)C3)s2)cc1,CHEMBL217544,6.3
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC)C4)C3)s2)cc1,CHEMBL215446,8.21
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N(C)C)C4)C3)s2)cc1,CHEMBL267797,8.3
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N(C)C5CCOCC5)C4)C3)s2)cc1,CHEMBL214497,8.56
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCO)C4)C3)cc2)cc1,CHEMBL215359,7.495
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCC5CCOCC5)C4)C3)s2)cc1,CHEMBL215308,8.1
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC(C)C)C4)C3)cc2)cc1,CHEMBL214227,7.98
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC(C)C)C4)C3)s2)cc1,CHEMBL214774,7.98
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCOCC5)C4)C3)cc2)cc1,CHEMBL214126,8.3
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCCC5)C4)C3)s2)cc1,CHEMBL265255,8.75
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N)C4)C3)cc2)cc1,CHEMBL214650,7.72
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1CCN(C(=O)N2CC[C@@H](NC3CCC(C)(C)CC3)C2)C1,CHEMBL214649,5.42
+CN(C(=O)c1ccc(-c2ccccc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H](NC3CCC(C)(C)CC3)C2)C1,CHEMBL384145,7.6
+CCOc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)cc1,CHEMBL386969,7.8
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H](NC3CCC(C)(C)CC3)C2)C1,CHEMBL215067,8.415
+COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)c(C)c1,CHEMBL383933,8.61
+CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H]1CCN(C(=O)N2CC[C@@H](NC3CCC(C)(C)CC3)C2)C1,CHEMBL384622,8.71
+Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)cc1,CHEMBL442064,8.8
+COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)cc1,CHEMBL386454,9.025
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)cc1,CHEMBL214513,9.175
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCCC3CCCCC3)C2)C1,CHEMBL425082,7.21
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)s2)cc1,CHEMBL384234,7.69
+COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)s2)c(C)c1,CHEMBL387013,8.68
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCCC3CCCCC3)C2)C1,CHEMBL215550,7.67
+CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)cc2)cc1,CHEMBL384181,8.305
+CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cccc2c1,CHEMBL214499,6.99
+CN1CCN(Cc2cnc3c(Cn4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)cccc3c2)CC1,CHEMBL386507,6.96
+CN(CC(=O)N(C)C)Cc1cnc2c(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cccc2c1,CHEMBL215635,6.87
+CS(=O)(=O)N1CCN(Cc2cnc3c(Cn4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)cccc3c2)CC1,CHEMBL384302,6.11
+O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(CN3CCC(O)CC3)cnc12,CHEMBL384548,7.29
+O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(CN3CCCC3)cnc12,CHEMBL384156,7.04
+CCN(CC)Cc1cnc2c(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cccc2c1,CHEMBL215040,6.9
+CN(C)Cc1cnc2c(Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cccc2c1,CHEMBL214790,6.71
+CN(Cc1cccc2cc(CN3CCCCC3)cnc12)C(=O)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL215321,7.51
+CN1CCN(Cc2cnc3c(CNC(=O)c4ccc(-c5ccc(F)cc5)nc4)cccc3c2)CC1,CHEMBL217699,5.45
+O=C(NCc1cccc2cc(CN3CC[C@H](O)C3)cnc12)c1ccc(-c2ccc(F)cc2)nc1,CHEMBL384079,5.94
+O=C(NCc1cccc2cc(CN3CCC(O)CC3)cnc12)c1ccc(-c2ccc(F)cc2)nc1,CHEMBL215873,6.1
+O=C(NCc1cccc2cc(CN3CCOCC3)cnc12)c1ccc(-c2ccc(F)cc2)nc1,CHEMBL215131,4.7
+CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)nc3)cccc2c1,CHEMBL213817,6.51
+CN(C)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)nc3)cccc2c1,CHEMBL216038,6.38
+CS(=O)(=O)C1CCN(Cc2cnc3c(CNC(=O)c4ccc(-c5ccc(F)cc5)cc4)cccc3c2)CC1,CHEMBL214916,6.51
+O=C(NCc1cccc2cc(CN3CC[C@H](O)C3)cnc12)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL214717,6.85
+O=C(NCc1cccc2cc(CN3CCC(O)CC3)cnc12)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL214667,6.71
+O=C(NCc1cccc2cc(CN3CCOCC3)cnc12)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL214547,5.85
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](N)C2)C1,CHEMBL380036,7.29
+CN[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1,CHEMBL209526,7.275
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCC3CCC3)C2)C1,CHEMBL212135,7.97
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCC3CCCCC3)C2)C1,CHEMBL385363,7.915
+CC1CCC(N[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1,CHEMBL215920,7.885
+CC(=O)N1CCC(N[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1,CHEMBL215624,7.68
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCc3ccccc3)C2)C1,CHEMBL261955,7.775
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCCc3ccccc3)C2)C1,CHEMBL211746,8.005
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCOc3ccc(F)cc3)C2)C1,CHEMBL379275,7.725
+Cc1ccc(CN[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)o1,CHEMBL209584,6.96
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCc3ccccn3)C2)C1,CHEMBL214318,6.74
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCn3cccc3)C2)C1,CHEMBL213898,7.4
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](NCCCC(F)(F)F)C2)C1,CHEMBL377208,7.795
+CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](N(C)C)C2)C1,CHEMBL384245,7.47
+CCN(C)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1,CHEMBL386449,7.27
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+CN(C(=O)c1ccc(-c2ccc(C#N)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H](NCCCc3ccccc3)C2)C1,CHEMBL379166,7.31
+CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H](NCCCc3ccccc3)C2)C1,CHEMBL212715,7.725
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+CSc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@H](NCCCc5ccccc5)C4)C3)cc2)cc1,CHEMBL213052,8.41
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+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3cc(Br)ccc3C2)CC1,CHEMBL216209,6.74
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3cc(C#N)ccc3C2)CC1,CHEMBL216066,6.47
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+COc1ccc2c(c1)CC(N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2,CHEMBL216286,7.04
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3ccc(S(C)(=O)=O)cc3C2)CC1,CHEMBL217114,5.89
+CNS(=O)(=O)c1ccc2c(c1)CC(N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2,CHEMBL217618,5.52
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+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3ccc(N)cc3C2)CC1,CHEMBL426339,6.59
+CC(=O)Nc1ccc2c(c1)CC(N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2,CHEMBL217574,8.22
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+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3ccc(C#N)cc3C2)CC1,CHEMBL384701,8.07
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+CC(C)(C)OC(=O)N1CCC(CN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,CHEMBL412801,5.94
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+CS(=O)(=O)N1CCC(CN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,CHEMBL216681,8.82
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+CS(=O)(=O)N1CCC(CN(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,CHEMBL216368,8.17
+CN1CCN(CCCN(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@H]23)CC1,CHEMBL216570,8.25
+CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@H]23)CC1,CHEMBL383901,8.17
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@H]23)CC1,CHEMBL216068,7.68
+CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4ccc(C#N)cc4)C[C@H]23)CC1,CHEMBL383976,7.94
+CN1CCN(CCCN(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4ccc(C#N)cc4)C[C@H]23)CC1,CHEMBL217761,8.31
+CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1,CHEMBL215277,7.86
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1,CHEMBL214583,7.79
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+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CO)c4)C[C@@H]3C2)CC1,CHEMBL386039,7.15
+CN(C)Cc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)c4nc5cc(Cl)c(Cl)cc5[nH]4)C[C@H]2C3)c1,CHEMBL386035,8.31
+CN(C)Cc1cccc([C@]23CC[C@@H](N(CCCN4CCN(C)CC4)c4nc5cc(F)c(F)cc5[nH]4)C[C@H]2C3)c1,CHEMBL215695,6.48
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCCC5)c4)C[C@@H]3C2)CC1,CHEMBL386311,7.59
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1,CHEMBL215273,6.36
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1,CHEMBL217132,5.52
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCCCC5)c4)C[C@@H]3C2)CC1,CHEMBL268385,6.39
+CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCOCC5)c4)C[C@@H]3C2)CC1,CHEMBL410566,7.85
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCOCC5)c4)C[C@@H]3C2)CC1,CHEMBL264906,7.67
+CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCN(C)CC5)c4)C[C@@H]3C2)CC1,CHEMBL214858,6.49
+O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL217637,7.96
+O=C(Nc1cccc(F)c1)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O,CHEMBL408198,7.66
+CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1,CHEMBL217861,7.11
+CN(C)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1,CHEMBL217605,7.09
+CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)cc1,CHEMBL425445,6.3
+CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3C2=O)cc1,CHEMBL384546,5.61
+CN(C(=O)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O)c1ccc(F)cc1,CHEMBL217140,5.28
+O=C(Nc1ccc(F)cc1)c1cc2n(c1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O,CHEMBL217351,6.2
+O=C(c1ccc(F)cc1)c1cc2n(c1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O,CHEMBL217196,6.83
+O=C1c2cc(Cc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL216242,6.64
+O=C1c2cc(CCc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL450942,7.82
+O=C1c2cc(-c3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1,CHEMBL216280,7.64
+CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Cl)cc3)CC1=O)C2,CHEMBL384400,8.44
+CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(C(F)(F)F)c3)CC1=O)C2,CHEMBL214323,7.03
+CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2,CHEMBL384000,7.49
+CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCS3)CC1=O)C2,CHEMBL215526,7.33
+O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCC(C(F)(F)F)CC3)ccc2C1,CHEMBL216486,5.06
+O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(Cn3ccnc3)ccc2C1,CHEMBL214983,4.28
+O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CNCC(F)(F)F)ccc2C1,CHEMBL216103,4.0
+C[C@H]1CCC[C@@H](C)N1Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(F)cc3)CC1=O)C2,CHEMBL215266,4.21
+O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCOCC3)ccc2C1,CHEMBL217875,4.82
+CS(=O)(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N2CCN(CCc4ccc(F)cc4)CC2=O)C3)CC1,CHEMBL384030,4.52
+O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1,CHEMBL216959,4.03
+CC(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N2CCN(CCc4ccc(F)cc4)CC2=O)C3)CC1,CHEMBL386717,4.8
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2,CHEMBL216821,8.13
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2,CHEMBL215278,7.96
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)nc1)C2,CHEMBL217820,7.92
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cn1)C2,CHEMBL215660,7.7
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)nc1)C2,CHEMBL216314,6.74
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cn3)cc1)C2,CHEMBL216741,7.74
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccc3)cn1)C2,CHEMBL216406,6.93
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2,CHEMBL267320,6.85
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccncc3)cc1)C2,CHEMBL216050,5.61
+CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3cccnc3)cc1)C2,CHEMBL216187,6.05
+CN(CC(=O)N(C)C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2,CHEMBL214432,7.62
+CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2,CHEMBL424895,6.84
+CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1,CHEMBL217860,6.12
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+N#Cc1cccc([C@]23CC[C@@H](N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)CC2C3)c1,CHEMBL441726,8.36
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+CN1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc6c(c5)OCCO6)sc4c3=O)C2)C1,CHEMBL232231,6.84
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+CN1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(OC(F)(F)F)cc5)sc4c3=O)C2)C1,CHEMBL231815,7.41
+CN1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)C2)C1,CHEMBL396193,7.77
+Cc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CCN(C)C5)C4)c(=O)c3s2)c(C)c1,CHEMBL231814,7.31
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+CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(C2CCOCC2)C1,CHEMBL395957,6.81
+CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@@H]1CCN(C2CCOCC2)C1,CHEMBL234929,7.16
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+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CCC2CCOCC2)C1,CHEMBL232823,8.15
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+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CC2CCOC2)C1,CHEMBL232209,8.4
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+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(C2CCCC2)C1,CHEMBL232662,8.4
+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(C2CCC2)C1,CHEMBL389295,9.0
+CC(C)N1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)C2)C1,CHEMBL232257,8.3
+CN1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)C2)C1,CHEMBL394823,8.0
+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CCCc2ccccc2)C1,CHEMBL233889,8.22
+CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCNC1,CHEMBL394822,7.77
+N#Cc1cccc([C@]23CC[C@@H](N(CCCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)c1,CHEMBL236888,7.66
+NCc1ncc([C@]23CC[C@@H](N(CCCN4CC5CC4CN5)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C2C3)s1,CHEMBL237532,7.14
+C[C@H]1CN[C@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@@H]1CC[C@]2(c3cnc(CN)s3)CC12,CHEMBL237531,7.88
+C[C@H]1CN[C@H](C)CN1CCCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[C@]2(c3cnc(CN)s3)CC12,CHEMBL393959,7.72
+NCc1ncc([C@]23CC[C@@H](N(CCCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C2C3)s1,CHEMBL237318,7.77
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+NCc1ncc([C@]23CC[C@@H](N(CCN4CC[C@H](O)C4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C2C3)s1,CHEMBL237098,7.0
+NCc1ncc([C@]23CC[C@@H](N(CCN4CCCC4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C2C3)s1,CHEMBL236889,6.97
+NCc1cnc([C@]23CC[C@@H](N(CCN4CCCC4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)CC2C3)s1,CHEMBL429393,6.37
+C[C@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@]3(c4cnc(CN)s4)C[C@H]23)[C@H](C)CN1,CHEMBL391496,8.4
+C[C@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@@]3(c4cnc(CN)s4)C[C@@H]23)[C@H](C)CN1,CHEMBL442244,6.77
+C[C@H]1CN[C@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@]2(c3cnc(CN)s3)C[C@H]12,CHEMBL237959,8.21
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+NCc1ncc([C@@]23CC[C@H](N(CCCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(C(F)(F)F)c4)[C@@H]2C3)s1,CHEMBL442084,6.78
+Cc1ccc(CN2CCC(NC(=O)NCc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1,CHEMBL241375,6.265
+Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4cccc(C#N)c4)cc3)CC2)cc1,CHEMBL238605,5.2
+COc1ccccc1-c1ccc(CN(CC(=O)C(C)(C)O)C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1,CHEMBL399004,5.22
+Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1,CHEMBL241589,5.23
+Cc1ccc(CN2CCC(NC(=O)NCc3ccc(-c4ccccc4)cc3)CC2)cc1,CHEMBL393078,5.575
+Cc1ccc(CN2CCC(NC(=O)NCc3ccc(-c4cccc(C#N)c4)cc3)CC2)cc1,CHEMBL241588,6.73
+COc1ccccc1-c1ccc(CNC(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1,CHEMBL241587,6.37
+COc1ccc(-c2ccc(CNC(=O)NC3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1,CHEMBL241376,5.84
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4ccccc4)cc3)C(=O)NC(C)C)CC2)cc1,CHEMBL399210,6.59
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4cccc(C#N)c4)cc3)C(=O)NC(C)C)CC2)cc1,CHEMBL240116,6.29
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)C)cc2)cc1,CHEMBL239905,6.56
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)C(=O)NC(C)C)CC2)cc1,CHEMBL239904,6.5
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1,CHEMBL240341,6.02
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL240339,6.595
+COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1,CHEMBL392013,6.67
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)COC(C)=O)cc2)cc1,CHEMBL392012,6.23
+CC(=O)OCC(C)(C)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL240126,6.375
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1,CHEMBL240912,6.41
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL396448,5.97
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1,CHEMBL396447,5.92
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1,CHEMBL391920,6.77
+CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL392015,6.67
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4ccccc4)cc3)C(=O)NC(C)(C)CO)CC2)cc1,CHEMBL240940,6.84
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4cccc(C#N)c4)cc3)C(=O)NC(C)(C)CO)CC2)cc1,CHEMBL392156,7.365
+COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)CO)cc1,CHEMBL240939,6.6
+COc1ccc(-c2ccc(CN(CCC3CCN(Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)CO)cc2)cc1,CHEMBL441148,6.69
+Cc1ccc(CN2CCC(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)C(=O)NC(C)(C)CO)CC2)cc1,CHEMBL239871,7.015
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1,CHEMBL240287,6.76
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL391618,6.11
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1,CHEMBL391203,6.78
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1,CHEMBL240537,6.84
+CCC(CO)(CO)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL239468,6.83
+O=C1N/C(=C\c2ccc(CN3CCC(O)C3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1,CHEMBL392403,6.75
+CC(=O)N1CCN(Cc2ccc(/C=C3\NC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2)CC1,CHEMBL248267,5.69
+CN(C)CCNCc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1,CHEMBL248266,6.15
+O=C1N/C(=C\c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1,CHEMBL247764,6.45
+CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1,CHEMBL247566,6.47
+O=C1N/C(=C\c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1,CHEMBL440229,6.66
+COc1cc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OCCN1CCCC1,CHEMBL394311,6.0
+COc1cc(N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL246992,6.44
+COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL246794,6.79
+COc1cc(N2CC(=O)N(c3ccc(-c4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1,CHEMBL394310,6.38
+COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL246590,5.96
+COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL246790,7.0
+COc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL395699,6.59
+COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1,CHEMBL246588,7.09
+Cc1ccccc1SCN(CCc1ccccc1)CSc1ccccc1C,CHEMBL398687,5.12
+CC(C)N(CCCNC(=O)c1cc2sccc2n1C)Cc1ccccc1,CHEMBL251948,4.68
+CCN(CC)CCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12,CHEMBL251947,4.92
+CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccc(OC)cc1,CHEMBL399302,4.95
+COc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1,CHEMBL430208,5.09
+Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(Cl)c2)n1,CHEMBL251946,5.11
+CCCCCCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c1ccc(C)cc1,CHEMBL252145,5.77
+Cc1ccc(S(=O)(=O)CN(Cc2ccccc2)CS(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL399303,5.12
+Cc1ccc2c(c1)nc(C)n2C1CCN(CCCc2cccc(NC(=O)C(C)C)c2)CC1,CHEMBL403730,7.6
+CO[C@@H]1CN(C[C@H]2Cc3ccc(C#N)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)ccc21,CHEMBL257280,8.52
+CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)ccc21,CHEMBL257906,8.0
+CO[C@@H]1CN(CC2Cc3ccccc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21,CHEMBL257905,7.33
+CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21,CHEMBL269939,8.3
+COC(=O)Nc1ccc2c(c1)C[C@@H](CN1CC[C@@H](n3c(C)nc4cc(C)ccc43)[C@H](OC)C1)C2,CHEMBL270151,7.7
+CO[C@@H]1CN(C[C@@H]2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21,CHEMBL258260,7.51
+CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc21,CHEMBL255112,8.28
+CO[C@@H]1CN(C[C@H]2Cc3ccc(C#N)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)c(F)cc21,CHEMBL257733,9.3
+COc1cc(-c2c[nH]c3nc(-c4ccc(Cl)cc4)cn3c2=O)ccc1OCCN1CCCC1,CHEMBL469789,7.11
+CCN(CC)Cc1ccc2c(c1)CCC(N1CCN(CCc3ccc(F)cc3)CC1=O)C2,CHEMBL506480,8.52
+CN[C@@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1,CHEMBL512657,8.48
+Cn1cc(CCN2CCCC2)c2ccc(-n3ccc4nc(-c5ccc(Cl)cc5)sc4c3=O)cc21,CHEMBL469343,8.5
+O=C(NCc1ccccc1)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL565119,5.25
+O=C(NCC1CC1)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL550683,4.86
+CCC(NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1,CHEMBL564409,5.74
+C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1,CHEMBL550545,7.0
+C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1,CHEMBL538215,5.46
+CC(CNC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1,CHEMBL561092,4.93
+C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C1CCCCC1,CHEMBL560953,5.45
+CC(NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1,CHEMBL557070,5.38
+Cc1ccccc1CNC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL557071,5.03
+C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1,CHEMBL556661,5.59
+C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1,CHEMBL561011,5.29
+Cc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)c2ccccc12,CHEMBL538211,5.85
+C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3cccc4c3OCO4)CC2)cc1)c1ccc(Br)cc1,CHEMBL560290,4.76
+C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccco3)CC2)cc1)c1ccc(Br)cc1,CHEMBL550744,4.81
+C[C@@H](NC(=O)c1ccc(C=C2CCN(CC3CCCCC3)CC2)cc1)c1ccc(Br)cc1,CHEMBL556868,4.44
+C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1,CHEMBL560689,5.71
+CC(c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL561148,5.63
+CC1CN(Cc2ccc3c(c2)OCO3)CCN1Cc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1,CHEMBL560888,5.34
+COc1ccccc1[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL552229,5.69
+COc1cccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1,CHEMBL538711,6.58
+O=C(N[C@@H]1CCc2ccccc21)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL551149,5.33
+C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Cl)cc1,CHEMBL538968,6.97
+C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1,CHEMBL552432,7.29
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1,CHEMBL563412,7.7
+CCC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1,CHEMBL557473,6.72
+O=C(Cc1ccc2c(c1)CCO2)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL563223,6.88
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1)c1ccc(I)cc1,CHEMBL539227,6.1
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4cccnc4c3)CC2)cc1)c1ccc(I)cc1,CHEMBL549395,8.3
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4ccccc4n3)CC2)cc1)c1ccc(I)cc1,CHEMBL555875,6.51
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4cncnc4c3)CC2)cc1)c1ccc(I)cc1,CHEMBL539737,7.52
+COc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)cc1,CHEMBL561694,6.83
+Cc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)c(C)c1,CHEMBL552292,6.98
+COc1ccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1,CHEMBL562016,6.11
+Cc1ccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1,CHEMBL552498,5.97
+CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4nccnc4c3)CC2)cc1)c1ccc(I)cc1,CHEMBL558277,7.4
+CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)C(c1ccc(F)c(F)c1)N1CCN(S(C)(=O)=O)CC1=O,CHEMBL538424,9.56
+CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O,CHEMBL557629,10.47
+COC[C@H]1OC(OCc2ccc(Cl)cc2)[C@H](NC(=O)CCCNC(=N)N)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O,CHEMBL1254556,5.92
+COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCNC(=N)N)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O,CHEMBL1254630,5.74
+COC[C@H]1OC(OCc2ccc(Cl)cc2)[C@H](NC(=O)CCCNC(=N)N)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O,CHEMBL1254711,5.59
+COC[C@H]1OC(OCCc2ccccc2)[C@H](NC(=O)CCCNC(=N)N)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O,CHEMBL1254796,5.46
+COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCNC(=N)N)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O,CHEMBL1253625,5.29
+COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCNC(=N)N)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O,CHEMBL1253626,5.2
+COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CNC(=N)N)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O,CHEMBL1254883,5.18
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccccc4)CC2C3)c1,CHEMBL1255054,6.88
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4cccc(F)c4)CC2C3)c1,CHEMBL1255055,7.7
+COc1cccc(NC(=O)N(CCN2CC[C@@H](O)C2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)c1,CHEMBL1253793,6.43
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)cc4)CC2C3)c1,CHEMBL1253794,7.27
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4cc(F)cc(F)c4)CC2C3)c1,CHEMBL1253875,7.82
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(F)c(F)c4)CC2C3)c1,CHEMBL1253876,7.7
+Cc1ccc(NC(=O)N(CCN2CC[C@@H](O)C2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)cc1F,CHEMBL1253961,7.32
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccc(OCOc5ccccc5)c(OCOc5ccccc5)c4)CC2C3)c1,CHEMBL1253628,6.87
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4cccc([N+](=O)[O-])c4)CC2C3)c1,CHEMBL1253962,7.22
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4cccc(Br)c4)CC2C3)c1,CHEMBL1254054,7.47
+N#Cc1cccc([C@]23CCC(N(CCN4CC[C@@H](O)C4)C(=O)Nc4cccc(Cl)c4)CC2C3)c1,CHEMBL1254055,7.57
+N#Cc1cccc(NC(=O)N(CCN2CC[C@@H](O)C2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)c1,CHEMBL1254146,7.04
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254147,8.3
+CC(C)N(CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254240,8.57
+CC(C)N(CCN(C(=O)Nc1cccc(Br)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254241,8.24
+CC(C)N(CCN(C(=O)Nc1cccc(F)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254326,8.68
+CC(C)N(CCN(C(=O)Nc1cccc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254327,8.22
+CC(C)N(CCN(C(=O)Nc1cccc(C#N)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254398,8.12
+CC(C)N(CCN(C(=O)Nc1cc(F)cc(F)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254399,8.35
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(F)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254479,8.55
+CC(C)N(CCN(C(=O)Nc1ccc(F)cc1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254480,7.98
+CC(=O)C1CCCN1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254560,7.64
+N#Cc1cccc([C@]23CCC(N(CCN4CCC[C@H]4CO)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254561,7.82
+N#Cc1cccc([C@]23CCC(N(CCN4CCC[C@@H]4CO)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254634,8.16
+COC1CCN(CCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1253196,7.82
+N#Cc1cccc([C@]23CCC(N(CCN4CCCC(O)C4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254713,7.66
+N#Cc1cccc([C@]23CCC(N(CCN4C=CC=CC=C4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254714,7.82
+N#Cc1cccc([C@]23CCC(N(CCN4CCOCC4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254797,7.96
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(F)c1)C1CC[C@]2(c3cccc(Br)c3)CC2C1)C(C)C,CHEMBL1254798,8.11
+COC(=O)c1cccc([C@]23CCC(N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(F)c4)CC2C3)c1,CHEMBL1254885,7.47
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(CO)c3)CC2C1)C(C)C,CHEMBL1254886,7.32
+CO/N=C/c1cccc([C@]23CCC(N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254972,8.39
+CCO/N=C/c1cccc([C@]23CCC(N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1255056,7.54
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(CNS(C)(=O)=O)c3)CC2C1)C(C)C,CHEMBL1253795,7.74
+CC(=O)NCc1cccc([C@]23CCC(N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1253877,7.51
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(CN4CC[C@H](O)C4)c3)CC2C1)C(C)C,CHEMBL1253963,7.68
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(CN4CCN(C)CC4)c3)CC2C1)C(C)C,CHEMBL1253629,7.27
+CCN(CC)Cc1cccc([C@]23CCC(N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254056,7.34
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(CN(C)C)c3)CC2C1)C(C)C,CHEMBL1254148,7.89
+CC(C)N(CCO)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254149,8.06
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)[C@H](C)CO,CHEMBL1254242,8.03
+CC(C)N(CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)[C@@H](C)CO,CHEMBL1254243,8.28
+CC(C)N(CCF)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254328,7.92
+CC(C)N(CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C,CHEMBL1254329,8.62
+CC(C)N(CCO)CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254400,8.8
+CC(C)N(CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)[C@@H](C)CO,CHEMBL1254401,8.8
+CC(C)NCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254481,8.72
+N#Cc1cccc([C@]23CCC(N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)CC2C3)c1,CHEMBL1254482,8.36
+CC1CC[C@@H](CO)N1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254562,7.96
+CC1CC[C@@H](CO)N1CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254563,8.92
+N#Cc1cccc([C@]23CCC(N(CC4CCN(C5CCOCC5)CC4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254635,8.06
+CNC(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1254715,6.74
+CC(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1254799,6.51
+CS(=O)(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1254887,8.14
+CS(=O)(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1254973,8.27
+CCS(=O)(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1255057,7.68
+CS(=O)(=O)N1CCC(CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1253796,7.59
+CS(=O)(=O)N1CCC(CN(C(=O)Nc2cccc(F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1253878,8.01
+CS(=O)(=O)N1CCC(CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CC1,CHEMBL1253630,7.1
+CS(=O)(=O)N1CCCC(CN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)C1,CHEMBL2021397,6.68
+CS(=O)(=O)N1CCCCC1CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1,CHEMBL1254057,6.53
+CN(C)Cc1cccc([C@]23CCC(N(CC4CCN(S(C)(=O)=O)CC4)C(=O)Nc4ccc(F)c(Cl)c4)CC2C3)c1,CHEMBL1254150,7.82
+CN(C)Cc1cccc([C@]23CCC(N(CC4CCN(S(C)(=O)=O)CC4)C(=O)Nc4cc(Cl)nc(Cl)c4)CC2C3)c1,CHEMBL1254244,8.48
+CS(=O)(=O)N1CCC(CN(C(=O)Nc2cc(Cl)nc(Cl)c2)C2CC[C@]3(c4cccc(CN5CC[C@H](O)C5)c4)CC3C2)CC1,CHEMBL1253631,8.05
+CC1CCC(C2=CCC(N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)S1,CHEMBL1254402,7.07
+CC(=O)C1CCC(C2=CCC(N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)S1,CHEMBL1254403,7.51
+C[N+]1(CCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CCCC1,CHEMBL1254564,7.8
+C[N+]1(CCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CC[C@]3(c4cccc(C#N)c4)CC3C2)CCCCC1,CHEMBL1254636,7.82
+COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1,CHEMBL214957,8.55
+CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C2CCC3(c4ccc(C#N)cc4)CC23)CC1,CHEMBL1289614,8.92
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1289283,8.59
+Cc1ccccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1,CHEMBL1289718,6.27
+Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1,CHEMBL1289824,7.62
+O=c1cc(-c2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1289940,6.56
+O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1289941,7.82
+O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290041,8.3
+O=c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290042,7.64
+O=c1cc(-c2ccc(Cl)cc2Cl)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290150,8.47
+O=c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290151,8.24
+COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(Cl)c1,CHEMBL1290261,8.55
+COc1cc(Cl)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1,CHEMBL1290262,7.72
+Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1,CHEMBL1290378,8.41
+COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(F)c1,CHEMBL1290379,7.0
+O=c1cc(-c2ccc(C(F)(F)F)cc2F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1287838,7.8
+O=c1cc(-c2ccc(Cl)cc2F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290484,7.21
+O=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290593,7.96
+O=c1cc(-c2cc3ccccc3s2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290594,7.6
+Cn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2ccccc21,CHEMBL1290712,7.89
+Cn1ccc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21,CHEMBL1290713,7.59
+O=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1289044,6.57
+CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(F)cn5)cc4=O)ccc23)C1,CHEMBL1290046,6.15
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCNC2,CHEMBL1290045,6.89
+COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)c(C)c1,CHEMBL1289946,7.85
+COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CNCC4)c(=O)c1,CHEMBL1289945,7.77
+CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)ccc23)C1,CHEMBL1289830,7.85
+CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1,CHEMBL1289829,8.08
+COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1,CHEMBL1289723,7.85
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CCNC2,CHEMBL1289722,7.96
+CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1,CHEMBL1289620,8.25
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CCNC2,CHEMBL1289619,7.96
+CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)ccc23)C1,CHEMBL1289512,8.12
+CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)ccc23)C1,CHEMBL1289511,7.6
+CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1,CHEMBL1289396,8.28
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2,CHEMBL1289395,8.31
+COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)c(C)c1,CHEMBL1289279,8.12
+COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCNC4)c(=O)c1,CHEMBL1289278,8.15
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CNCC2,CHEMBL1289166,8.14
+CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)cc1,CHEMBL1289051,8.62
+COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)cc1,CHEMBL1290720,8.59
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CNCC2,CHEMBL1290719,8.38
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CNCC2,CHEMBL1290601,8.57
+CN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1,CHEMBL1290600,8.11
+Cn1c2c(c3ccc(-n4ccc(-c5ccccc5)cc4=O)cc31)CNCC2,CHEMBL1290491,7.82
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)cc31)CNCC2,CHEMBL1290490,8.38
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)cc31)CNCC2,CHEMBL1290382,8.17
+CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1,CHEMBL1290381,6.77
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CCO)CC2,CHEMBL1290265,8.44
+CN1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1,CHEMBL1290264,8.35
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNC3,CHEMBL1290155,8.42
+O=c1c2cc(-c3ncccn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290722,5.77
+O=c1c2cc(-c3ccccc3Cl)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290384,7.55
+O=c1c2cc(-c3ccccn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290721,7.23
+COc1cc(Cl)ccc1-c1cc2c(=O)n(-c3ccc4c(cnn4CCN4CCCC4)c3)ccc2o1,CHEMBL1290603,7.32
+O=c1c2cc(-c3ccc(Cl)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290383,8.28
+O=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290267,8.21
+O=c1c2cc(-c3cccc(Cl)c3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290492,7.42
+O=c1c2cc(-c3ccc(Cl)cc3F)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290602,8.38
+O=c1c2cc(-c3ccc(Cl)cc3Cl)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290493,7.85
+O=c1c2cc(-c3ccccc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,CHEMBL1290266,8.01
+CN(C)CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21,CHEMBL1289282,8.33
+CN(C)CCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21,CHEMBL1289399,7.9
+CN(C)CC(O)Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21,CHEMBL1289400,7.42
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1,CHEMBL1289515,8.33
+CO[C@H]1CCN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1,CHEMBL1289516,8.03
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2C[C@@H]2CCCN2)c1,CHEMBL1289623,7.92
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2C[C@@H](O)CN2)c1,CHEMBL1289624,7.48
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC[C@@H]2CO)c1,CHEMBL1289169,8.51
+COC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21,CHEMBL1289054,7.95
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2=NCCN2)c1,CHEMBL1289053,7.65
+CN1CCN=C1Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21,CHEMBL1289726,7.52
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1,CHEMBL1289727,7.36
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1,CHEMBL1289833,7.76
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCNCC2)c1,CHEMBL1289834,7.61
+N[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1,CHEMBL2011537,8.22
+C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21,CHEMBL2032049,9.22
+COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1,CHEMBL3601377,7.85
+COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1,CHEMBL3618348,8.05
+CCS(=O)(=O)C[C@@H](O)COc1ccc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)cc1OC,CHEMBL3616496,7.55
+COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(O)C1CC1,CHEMBL3618347,7.77
+COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)O,CHEMBL3618346,7.89
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1,CHEMBL3618345,8.19
+CCS(=O)(=O)C[C@@H](O)COc1ccc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)cc1OC,CHEMBL3618344,7.82
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1N1CC[C@@H](O)C1,CHEMBL3618343,8.04
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OC[C@H](O)C1CC1,CHEMBL3618342,8.19
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(O)C1CC1,CHEMBL3618341,7.89
+CCS(=O)(=O)C[C@@H](O)COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC,CHEMBL3618340,8.62
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1,CHEMBL3618339,8.47
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1N1C[C@H](O)[C@H](O)C1,CHEMBL3618338,8.51
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1N1CC[C@@H](O)C1,CHEMBL3618337,8.32
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(C)(C)O,CHEMBL3618336,8.64
+O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CCC(O)CC2)nc1,CHEMBL3618335,7.92
+O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CCC(N3CC(O)C3)C2)nc1,CHEMBL3618334,9.1
+O=c1c2cc(-c3ccc(Cl)cn3)cn2ncn1-c1ccc(N2CC[C@@H](O)C2)nc1,CHEMBL3618333,6.91
+O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CC[C@@H](O)C2)nc1,CHEMBL3618332,8.28
+O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CC(O)C2)nc1,CHEMBL3618331,7.82
+CNC1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1,CHEMBL3618330,9.4
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCC(O)C1CC1,CHEMBL3618329,7.59
+COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1,CHEMBL3618328,7.89
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1,CHEMBL3618327,8.46
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCCN1CCCC1,CHEMBL3618326,8.36
+COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL3618325,9.15
+COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1,CHEMBL3618324,9.3
+COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC,CHEMBL3618323,7.12
+COc1ccc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC,CHEMBL3618322,7.07
+COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC,CHEMBL3618321,7.68
+COc1cc(-n2ccc(COc3ccccn3)cc2=O)ccc1OCC(C)(C)O,CHEMBL3651707,5.63
+COc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1OC,CHEMBL3651708,7.54
+COc1cc(-n2ccc(CNc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O,CHEMBL3651709,6.3
+COc1cc(-n2ccc(-c3ccc(C(F)(F)F)cc3)cc2=O)ccc1OCC(C)(C)O,CHEMBL3651711,8.15
+COc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCCO,CHEMBL3651710,8.52
+COc1cc(-n2ccc(SCc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O,CHEMBL3651712,8.4
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN1CCCC21,CHEMBL3675274,7.832999999999999
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN1CCCCC21,CHEMBL3675275,7.51
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CCN1CCCCC21,CHEMBL3675276,6.32
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCN1CCCCC21,CHEMBL3675277,7.35
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCN1CCCCC21,CHEMBL3675278,7.7
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCN1CCCCC21,CHEMBL3675279,5.76
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN1CCCCCC21,CHEMBL3675280,7.33
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN1CCCC1C2,CHEMBL3675281,8.09
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN1CCCC1C2,CHEMBL3675282,8.01
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCN3C5)c(=O)c2)cn1,CHEMBL3675283,7.23
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCN1CC2,CHEMBL3675284,6.82
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1,CHEMBL3675285,7.12
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3,CHEMBL3675286,8.15
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C1CCCN1CC2,CHEMBL3675287,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCN1CC2,CHEMBL3675288,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCN1CC2,CHEMBL3675289,7.96
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1,CHEMBL3675290,7.89
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCCN1CC2,CHEMBL3675291,8.08
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C1CCCCN1CC2,CHEMBL3675292,7.68
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCCC53)c(=O)c2)cn1,CHEMBL3675293,7.72
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,CHEMBL3675294,8.22
+O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,CHEMBL3675295,7.85
+O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,CHEMBL3675296,7.92
+O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,CHEMBL3675297,7.47
+O=c1cc(OCc2ccc(F)cc2F)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,CHEMBL3675298,7.92
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCCN1C3,CHEMBL3675299,8.07
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CN1CCCC1C2,CHEMBL3675300,8.08
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCN3C5)c(=O)c2)cn1,CHEMBL3675301,7.66
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CN1CCCC1C2,CHEMBL3675302,7.62
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCCN3C5)c(=O)c2)cn1,CHEMBL3675303,7.51
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CN1CCCCC1C2,CHEMBL3675304,7.62
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCCN3C5)c(=O)c2)cn1,CHEMBL3675305,6.71
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CN1CCCCC1C2,CHEMBL3675306,8.15
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN1CCCCC1C2,CHEMBL3675307,7.86
+O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3,CHEMBL3675308,8.07
+O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3,CHEMBL3675309,7.85
+O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3,CHEMBL3675310,7.85
+O=c1cc(OCc2ccc(Cl)cc2F)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3,CHEMBL3675311,7.72
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCN1CCCC21,CHEMBL3675312,7.59
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675313,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675314,7.68
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675315,7.8
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675316,8.0
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675317,7.33
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)C1CCCN1CC2,CHEMBL3675318,7.82
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680171,7.8
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680172,7.43
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680173,7.77
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680174,7.48
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680175,7.59
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680176,7.51
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCCC1C2,CHEMBL3680177,6.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3693989,7.962999999999999
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3693990,7.61
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3693991,7.82
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3640807,8.235
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3693992,7.907
+Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3693993,7.17
+O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1,CHEMBL3693995,7.6
+O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1,CHEMBL3693996,7.64
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(C2)N1,CHEMBL3693997,7.67
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C1CCCC(C2)N1,CHEMBL3693998,8.03
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCC(C2)N1,CHEMBL3693999,7.33
+Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(C2)N1,CHEMBL3694000,7.55
+Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1,CHEMBL3694001,7.14
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCC(C2)N1,CHEMBL3694002,7.89
+O=c1cc(OCc2ccccn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1,CHEMBL3694003,7.6
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3694004,7.77
+CN1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3694005,8.01
+CC(=O)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3694006,6.88
+CC(C)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3694007,7.92
+CC(=O)N1C2CCC1c1c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc13)C2,CHEMBL3694008,7.12
+CC(=O)N1C2CCC1c1c([nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3694009,7.01
+CN1C2CCCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3694010,7.85
+CCN1C2CCCC1c1c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3640804,7.82
+Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)C1CCC(C2)N1,CHEMBL3640805,7.77
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)cn1,CHEMBL3640806,7.23
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCC(C2)N1,CHEMBL3640808,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640809,7.68
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCC(C2)N1,CHEMBL3640810,7.31
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCCC(C2)N1,CHEMBL3640811,7.52
+CN1C2CCC1c1c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc13)C2,CHEMBL3640812,7.57
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640813,7.42
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640814,6.96
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640815,7.59
+Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)nc31)C1CCC(C2)N1,CHEMBL3640816,7.0
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640817,7.85
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640818,7.55
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)C1CCC(C2)N1,CHEMBL3640819,7.72
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCCC2,CHEMBL3665334,8.28
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CNCCC2,CHEMBL3665335,7.96
+CN1CCCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1,CHEMBL3665336,8.3
+CCN1CCCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1,CHEMBL3665337,8.3
+CC(C)N1CCCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1,CHEMBL3665338,8.03
+CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCNC5)c(=O)c2)cc1,CHEMBL3665339,8.31
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCNC5)c(=O)c2)cn1,CHEMBL3665340,7.76
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCNC5)c(=O)c2)cn1,CHEMBL3665341,7.97
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3,CHEMBL3665342,8.24
+O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3,CHEMBL3665343,7.91
+O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3,CHEMBL3665344,7.53
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C(=O)NCCC2,CHEMBL3665345,7.0
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CNCCC2,CHEMBL3665329,7.86
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCNCC2,CHEMBL3665346,8.14
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CCNCC2,CHEMBL3665347,8.0
+CC(C)N1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CC1,CHEMBL3665348,7.75
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNCC2,CHEMBL3665349,8.05
+CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1,CHEMBL3665350,7.94
+Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCNCC5)c(=O)c2)cn1,CHEMBL3639642,7.59
+CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)ccc23)CC1,CHEMBL3665351,7.33
+Cn1c2c(c3ccc(-n4ncc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2,CHEMBL3665352,7.13
+CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1,CHEMBL3665353,7.22
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)nc4=O)cc31)CCNCC2,CHEMBL3665354,7.77
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCNCC2,CHEMBL3665355,8.13
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)cc31)CCNCC2,CHEMBL3665356,7.62
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)cc31)CCNCC2,CHEMBL3665357,8.11
+Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CCNCC2,CHEMBL3665358,7.89
+CC(=O)N1CCc2[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2CC1,CHEMBL3665359,6.95
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CCNCC2,CHEMBL3665360,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CCNCC2,CHEMBL3665361,7.57
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)cc31)CCNCC2,CHEMBL3665362,8.14
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CCNCC2,CHEMBL3665363,6.79
+Cn1c2c(c3ccc(N4CCN(CCc5ccccn5)CC4=O)cc31)CNCCC2,CHEMBL3665364,7.36
+Cn1c2c(c3ccc(-n4ncc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCCC2,CHEMBL3665365,7.68
+CC(=O)N1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1,CHEMBL3665366,7.24
+CC(=O)N1CCCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc3n2C)C1,CHEMBL3665367,7.22
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CNCCC2,CHEMBL3665368,8.3
+Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CNCCC2,CHEMBL3665369,8.34
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)cc31)CNCCC2,CHEMBL3665370,7.96
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)cc31)CNCCC2,CHEMBL3665371,8.14
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CNCCC2,CHEMBL3665372,7.66
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CNCCC2,CHEMBL3665373,8.09
+CN1CCCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc3n2C)C1,CHEMBL3665374,7.92
+CN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1,CHEMBL3665375,8.06
+CN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc3n2C)C1,CHEMBL3665376,8.07
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN(C1CCC1)CCC2,CHEMBL3665377,8.12
+CCN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1,CHEMBL3665378,8.03
+CN1CCCc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)C1,CHEMBL3665379,8.0
+Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CN(C1CCC1)CCC2,CHEMBL3665380,7.85
+CCN1CCCc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)C1,CHEMBL3665381,8.01
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CCNCC2,CHEMBL3665382,7.96
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2,CHEMBL3665383,7.54
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CCNCC2,CHEMBL3665384,6.63
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CCNCC2,CHEMBL3665385,7.16
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CCNCC2,CHEMBL3665386,7.48
+Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)nc31)CCNCC2,CHEMBL3665387,7.28
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CCNCC2,CHEMBL3665388,7.89
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CCNCC2,CHEMBL3665389,7.96
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)nc31)CCNCC2,CHEMBL3665390,7.96
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CCN(C1CCC1)CC2,CHEMBL3665391,7.8
+CCN1CCc2c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1,CHEMBL3665392,8.16
+CN1CCc2c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1,CHEMBL3665393,8.06
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCCC2,CHEMBL3665394,7.82
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCCC2,CHEMBL3665395,8.19
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCCC2,CHEMBL3665396,7.76
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCCC2,CHEMBL3665397,7.59
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CNCCC2,CHEMBL3665398,7.96
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CNCCC2,CHEMBL3665399,8.11
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CNCCC2,CHEMBL3665400,8.04
+Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CCNCC2,CHEMBL3665401,7.89
+CN1CCc2c(n(C)c3cc(N4CCN(CCc5ccc(F)cc5)CC4=O)ccc23)CC1,CHEMBL3665402,7.89
+CCN1CCc2c(n(C)c3cc(N4CCN(CCc5ccc(F)cc5)CC4=O)ccc23)CC1,CHEMBL3665403,7.77
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)cc31)CCNCC2,CHEMBL3665404,8.0
+Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CCNCC2,CHEMBL3665405,8.0
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)cc31)CCNCC2,CHEMBL3665406,7.66
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)cc31)CNCCC2,CHEMBL3665407,8.22
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C(=O)NCCC2,CHEMBL3665408,6.83
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)cc31)CNCCC2,CHEMBL3665409,8.12
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)cc31)CNCCC2,CHEMBL3665410,7.74
+Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CNCCC2,CHEMBL3665411,8.01
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CNCCC2,CHEMBL3665412,7.22
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)nc31)CCNCC2,CHEMBL3665413,8.02
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)nc31)CCNCC2,CHEMBL3665414,7.92
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CCNCC2,CHEMBL3665415,7.15
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)nc31)CNCCC2,CHEMBL3665416,8.05
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)nc31)CNCCC2,CHEMBL3665417,8.23
+Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CNCCC2,CHEMBL3665418,7.36
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CCNCC2,CHEMBL3665309,7.84
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CCNCC2,CHEMBL3665310,8.0
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2,CHEMBL3665311,8.15
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2,CHEMBL3665312,7.93
+Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2,CHEMBL3665313,6.88
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL3665314,8.22
+O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL3665315,6.83
+O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL3665316,5.86
+Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCNCC2,CHEMBL3665317,7.87
+Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNCC5)c(=O)c2)cn1,CHEMBL3665318,7.31
+O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL3665319,7.94
+O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,CHEMBL3665320,7.99
+CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1,CHEMBL3665321,8.02
+CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1,CHEMBL3665322,7.98
+CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1,CHEMBL3665323,7.86
+CC(C)N1CCc2[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2CC1,CHEMBL3665324,8.14
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCNC2,CHEMBL3665325,7.93
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCCNC2,CHEMBL3665326,7.83
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CCCNC2,CHEMBL3665327,6.62
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CNCCC2,CHEMBL3665328,8.33
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CNCCC2,CHEMBL3665330,8.33
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CNCCC2,CHEMBL3665331,8.19
+Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)CNCCC2,CHEMBL3665332,7.37
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CNCCC2,CHEMBL3665333,8.21
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCC2,CHEMBL3651066,8.15
+Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)nc31)CNCC2,CHEMBL3651067,7.33
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCC2,CHEMBL3651068,7.82
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CNCC2,CHEMBL3651069,6.98
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCC2,CHEMBL3651070,7.82
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCC2,CHEMBL3651071,7.15
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CNCC2,CHEMBL3651072,7.48
+CC(=O)N1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc3n2C)C1,CHEMBL3651073,7.11
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CNCC2,CHEMBL3651074,8.33
+CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc3n2C)C1,CHEMBL3651075,7.15
+CC1Cc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)nc3n2C)CN1,CHEMBL3651076,7.24
+CC1Cc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc3n2C)CN1,CHEMBL3651077,8.035
+CC1Cc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc3n2C)CN1,CHEMBL3651078,7.6
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2,CHEMBL3651079,7.77
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CNCC2,CHEMBL3651080,8.08
+O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)nc1n2CCNC1,CHEMBL3651081,7.21
+CC(C)N1CCn2c(nc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1,CHEMBL3651082,7.03
+O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3,CHEMBL3651083,7.68
+O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3,CHEMBL3651084,7.52
+O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3,CHEMBL3651085,6.21
+O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3,CHEMBL3651086,5.48
+O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3,CHEMBL3651087,7.64
+CC(C)N1CCc2nc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccn3c2C1,CHEMBL3651088,7.72
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C(=O)NCC2,CHEMBL3651089,6.99
+CC(=O)N1Cc2c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1C,CHEMBL3651090,7.09
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN1CCC2C1,CHEMBL3673555,8.19
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN1CCC2CC1,CHEMBL3673556,8.23
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN1CCC2CC1,CHEMBL3673557,7.36
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CN1CCC2CC1,CHEMBL3673558,7.64
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CN1CCC2CC1,CHEMBL3673559,6.91
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CN1CCC2CC1,CHEMBL3673560,7.96
+Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCC2CC1,CHEMBL3673561,7.54
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCC2CC1,CHEMBL3673562,7.82
+Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CN1CCC2CC1,CHEMBL3673563,7.82
+Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC2CC1,CHEMBL3673564,7.6
diff --git a/chembl_200/CHEMBL3473.csv b/chembl_200/CHEMBL3473.csv
new file mode 100644
index 0000000000000000000000000000000000000000..54d735bbc117f74f6d32bba0dfd7d93b0e0129dc
--- /dev/null
+++ b/chembl_200/CHEMBL3473.csv
@@ -0,0 +1,404 @@
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Br)cc3)CC2)CC1,CHEMBL178576,7.18
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Cl)cc3)CC2)CC1,CHEMBL180651,6.85
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(F)cc3)CC2)CC1,CHEMBL178771,6.95
+COc1ccc(CC2CCN(C3CCN(C(=O)Cc4ccccc4C)CC3)CC2)cc1,CHEMBL181230,6.1
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cccc(Cl)c3)CC2)CC1,CHEMBL440750,6.89
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cc(F)cc(F)c3)CC2)CC1,CHEMBL181827,5.65
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cc(Cl)cc(Cl)c3)CC2)CC1,CHEMBL181232,6.03
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL362700,7.4
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cccc(Cl)c3Cl)CC2)CC1,CHEMBL178286,6.99
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Cl)cc3Cl)CC2)CC1,CHEMBL369287,7.25
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1,CHEMBL181290,6.6
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Cl)cc3F)CC2)CC1,CHEMBL178916,6.84
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Cl)c(F)c3)CC2)CC1,CHEMBL181678,6.72
+Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cc(F)cc(Cl)c3)CC2)CC1,CHEMBL181794,6.3
+Cc1ccccc1NC(=O)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL181894,7.0
+Nc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,CHEMBL180599,6.91
+Nc1ccc(C(=O)N2CCC(N3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,CHEMBL180122,6.87
+O=C(c1cnnc2ccccc12)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL362017,7.34
+O=C(c1ccc2ncccc2c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL362649,7.52
+O=C(c1ccnc2ccccc12)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL180813,7.42
+O=C(c1cccc2cccnc12)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL178875,7.17
+O=C(c1nccc2ccccc12)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL180988,6.85
+O=C(c1cnc2ccccc2c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL359850,6.34
+O=C(c1cccc2[nH]ccc12)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL425875,6.95
+O=C(c1ccc2[nH]ccc2c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1,CHEMBL178367,6.92
+CC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL178136,7.54
+C=C[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL178887,7.64
+O=C(c1ccc2ncccc2c1)N1CCC(N2CC[C@H](Cc3ccc(Cl)c(Cl)c3)[C@H](CF)C2)CC1,CHEMBL178422,7.34
+CCO[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181379,7.48
+CS(=O)(=O)N[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL361620,6.0
+CC(=O)N[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL180989,6.79
+CS(=O)(=O)NC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181789,6.48
+CC(=O)NC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL362401,6.69
+CO[C@@H]1CN(C2CCN(C(=O)c3cnnc4ccccc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181929,7.07
+CO[C@@H]1CN(C2CCN(C(=O)c3ccnc4ccccc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL180621,7.59
+CO[C@@H]1CN(C2CCN(C(=O)c3cccc4cccnc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL362040,7.74
+CO[C@@H]1CN(C2CCN(C(=O)c3nccc4ccccc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181034,7.7
+CO[C@@H]1CN(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL441848,7.32
+CO[C@@H]1CN(C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181137,7.47
+CO[C@@H]1CN(C2CCN(C(=O)c3ccc4cnccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL179490,7.46
+CO[C@@H]1CN(C2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,CHEMBL181273,7.82
+COc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(Br)cc3)CC2)CC1,CHEMBL180939,6.39
+Cc1ccccc1C(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL187779,7.22
+CC(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL189158,6.27
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1,CHEMBL191418,6.97
+COc1ccccc1C(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL190646,7.04
+Cc1ccccc1CC(=O)NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1,CHEMBL189917,7.07
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ccccc2c1,CHEMBL366199,7.32
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc12,CHEMBL372868,7.24
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1,CHEMBL426089,7.64
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2cccnc12,CHEMBL193354,7.48
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1nccc2ccccc12,CHEMBL189206,7.47
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc12,CHEMBL190852,7.1
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cnnc2ccccc12,CHEMBL190048,7.0
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2[nH]ccc2c1,CHEMBL190436,7.54
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2[nH]ccc12,CHEMBL425548,7.44
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2nc[nH]c2c1,CHEMBL366143,7.33
+O=C(NCC1CCCN(C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1,CHEMBL190894,6.4
+O=C(NCC1CCCN(C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1,CHEMBL192584,6.41
+O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)cc3)CC2)C1)c1ccc2ncccc2c1,CHEMBL190362,7.02
+CC(c1ccc(Cl)c(Cl)c1)N1CCC(N2CCCC(CNC(=O)c3ccc4ncccc4c3)C2)CC1,CHEMBL192757,7.13
+O=C(NCC1CCCN(C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1,CHEMBL189680,6.74
+O=C(NCC1CCCN(C2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1,CHEMBL190312,6.12
+CC1(N2CCCC(CNC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL190149,7.3
+CC1CN(Cc2ccc(Cl)c(Cl)c2)CCC1N1CCCC(CNC(=O)c2ccc3ncccc3c2)C1,CHEMBL191464,8.14
+Clc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL369351,6.96
+Brc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL183429,7.05
+Fc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL360738,5.85
+FC(F)(F)c1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL182889,5.8
+CCc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL369778,5.85
+CCOc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL183229,5.35
+C(=C1\CCN2Cc3ccccc3N=C12)\c1ccccc1-c1ccccc1,CHEMBL183052,5.54
+FC(F)(F)Oc1ccccc1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL359918,5.49
+Clc1cccc(Cl)c1/C=C1\CCN2Cc3ccccc3N=C12,CHEMBL360075,5.74
+Fc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1,CHEMBL180493,6.03
+CN(C)c1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1,CHEMBL434151,5.85
+Clc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1,CHEMBL183441,5.77
+Clc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)cc1Cl,CHEMBL181195,6.14
+CCC1C/C(=C\c2ccccc2Cl)C2=Nc3ccccc3CN21,CHEMBL180721,6.85
+CCCCC1C/C(=C\c2ccccc2Br)C2=Nc3ccccc3CN21,CHEMBL181984,6.6
+Fc1ccc(C2C/C(=C\c3ccccc3Br)C3=Nc4ccccc4CN32)cc1,CHEMBL362032,5.1
+N=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1Cl,CHEMBL361761,7.46
+N=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL361606,7.55
+N=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1I,CHEMBL183461,7.12
+CCc1ccccc1/C=C1\CCn2c1nc1ccccc1c2=N,CHEMBL180446,6.44
+COc1ccc(/C=C2\CCn3c2nc2ccccc2c3=N)cc1,CHEMBL183519,5.41
+C/N=c1/c2ccccc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL360560,6.51
+N#C/N=c1/c2ccccc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL182719,5.21
+N=c1c2ccsc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL361149,7.55
+N=c1c2c(C3CC3)csc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL183520,6.54
+CC(C)(C)c1csc2nc3n(c(=N)c12)CC/C3=C\c1ccccc1Br,CHEMBL361430,5.92
+Cc1sc2nc3n(c(=N)c2c1C)CC/C3=C\c1ccccc1Br,CHEMBL360268,6.59
+N=c1c2c3c(sc2nc2n1CC/C2=C\c1ccccc1Br)CCCC3,CHEMBL181367,6.46
+Cc1oc2nc3n(c(=N)c2c1C)CC/C3=C\c1ccccc1Br,CHEMBL183478,6.57
+N=c1c2cccnc2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL360308,6.09
+Nc1c2ncnc-2nc2n1CC/C2=C\c1ccccc1Br,CHEMBL2113024,6.08
+COc1ccc(C(CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL175547,6.08
+CC(C)(C)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL179752,6.08
+O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL176281,6.03
+COc1ccc(C(CNCCc2cc(C)cc(C)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194283,7.3
+COc1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195671,7.21
+Clc1cc(Cl)cc(CCNCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)c1,CHEMBL365551,7.1
+COc1ccccc1CCNCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL193850,6.93
+FC(F)(F)c1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193507,6.89
+Cc1ccc(NC(=O)NCC(CC(C)C)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL195495,6.75
+CC(C)(C)c1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193938,6.65
+CC(C)(C)c1ccc(C(CNCCc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195293,6.64
+CC(C)CC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1,CHEMBL426822,6.53
+Cc1cc(C)cc(NC(=O)NCC(CC(C)C)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL195202,6.5
+Cc1ccc(NC(=O)NCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195610,6.5
+Cc1cc(C)cc(NC(=O)NCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1,CHEMBL195214,6.49
+COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194161,6.46
+CC(C)(C)c1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193973,6.46
+CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL365596,6.46
+COc1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL427357,6.41
+CC(C)CC(CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL193916,6.37
+COc1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL365806,6.32
+O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccccc1,CHEMBL195291,6.32
+COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1,CHEMBL195657,6.31
+Cc1cc(C)cc(CCNCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1,CHEMBL195081,6.29
+Cc1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193828,6.26
+COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL195406,6.22
+COc1ccc(C(CNCCc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL191959,6.2
+COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193633,6.11
+FC(F)(F)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL372858,6.11
+Fc1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL192412,6.05
+COc1ccccc1C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1,CHEMBL194044,6.05
+COc1ccc(C(CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194022,6.04
+COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193809,6.04
+COc1ccc(C(CNCCc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL363181,6.03
+CC(C)(C)c1ccc(C(CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL373092,6.01
+CN(C)c1ccc(C(CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL191696,6.01
+COc1ccc(C(CNC(=O)Nc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL192162,5.99
+Cc1ccc(NC(=O)NCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL192751,5.97
+CN(C)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193975,5.97
+O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1,CHEMBL193332,5.95
+CC(C)(C)c1ccc(C(CNC(=O)Nc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195427,5.95
+Fc1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL194885,5.92
+O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1,CHEMBL194025,5.88
+O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1,CHEMBL194715,5.84
+COc1ccc(C(CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL366231,5.82
+COc1ccccc1CCNCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1,CHEMBL363409,5.8
+CN(C)c1ccc(C(CNCCc2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193991,5.78
+COc1ccc(NC(=O)NCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193810,5.77
+CN(C)c1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195353,5.76
+CN(C)c1ccc(CCNCC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193656,5.75
+COc1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193827,5.7
+CC(C)(C)c1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL365584,5.69
+COc1ccccc1NC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C)CC1,CHEMBL193369,5.47
+COc1ccccc1C(CNC(=O)Nc1ccc(C)cc1)N1CCN(c2ccccc2)CC1,CHEMBL370244,5.45
+COc1ccccc1NC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL373158,5.44
+CN1CCN(C(CNCCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL365369,5.33
+Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194086,5.27
+COc1ccccc1CC(=O)NCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1,CHEMBL194886,5.22
+O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1,CHEMBL194026,5.2
+CN1CCN(C(CNC(=O)Nc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1,CHEMBL191828,5.11
+COc1ccccc1CC(=O)NCC(c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1,CHEMBL372725,5.05
+COc1ccc(NC(=O)NCC(c2ccccc2OC)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL193871,4.98
+COc1ccc(C(CNCCc2ccc(F)cc2)N2CCN(C)CC2)cc1,CHEMBL195197,4.93
+COc1ccc(NC(=O)NCC(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193334,4.83
+CN1CCN(C(CNCCc2ccccc2)c2ccccc2)CC1,CHEMBL195093,4.66
+Cc1ccc(CC(=O)NCC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL194070,4.57
+CN(C)c1ccc(C(CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL372493,4.46
+COc1ccc(C(CNC(=O)Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193818,4.4
+O=C(Cc1cc(Cl)cc(Cl)c1)NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1,CHEMBL192384,4.2
+COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL195480,6.67
+CN(C)c1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL191693,6.51
+COc1ccccc1C(CNCCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1,CHEMBL364047,6.46
+Cc1ccc(CCNCC(c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL194435,6.36
+FC(F)(F)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194135,6.32
+CN(C)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL193535,6.22
+COc1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL372496,5.98
+CC(C)(C)c1ccc(C(CNC(=O)Nc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL191719,5.95
+O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1,CHEMBL193931,5.9
+FC(F)(F)c1ccc(CCNCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194040,5.88
+COc1ccc(C(CNC(=O)Nc2ccc(C)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL434918,5.65
+CN1CCN(C(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(N(C)C)cc2)CC1,CHEMBL192045,5.42
+CN1CCN(C(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL191824,5.29
+COc1ccccc1C(CNC(=O)Nc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1,CHEMBL192066,5.27
+O=C(NCC(c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,CHEMBL193592,5.26
+Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL192385,5.1
+CN1CCN(C(CNCCc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1,CHEMBL195488,5.05
+COc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL195533,5.01
+CC(C)(C)c1ccc(C(CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1,CHEMBL194943,4.99
+Cc1ccc(NC(=O)NCC(c2ccc(C(F)(F)F)cc2)N2CCN(C)CC2)cc1,CHEMBL193732,4.97
+CC(C)(C)c1ccc(C(CNC(=O)Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL195473,4.95
+Cc1ccc(CCNCC(c2ccccc2)N2CCN(C)CC2)cc1,CHEMBL425377,4.94
+Cc1cc(F)ccc1OC1CCN(CC2CCN([C@@](C)(Cc3ccc(F)cc3)C(=O)O)CC2)CC1,CHEMBL2158793,8.7
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+N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl,CHEMBL2207669,8.4
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+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12,CHEMBL2208430,8.6
+COc1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)ccc1N,CHEMBL2208427,8.4
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc(=O)[nH]c2ccccc12,CHEMBL2208434,8.1
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cnnc2ccccc12,CHEMBL2208435,7.9
+CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1,CHEMBL2208428,7.8
+N#Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208423,7.7
+N#Cc1cccc(OC[C@@H](O)CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208424,7.5
+CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,CHEMBL2208437,7.1
+O=C(Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1,CHEMBL2208416,7.0
+COc1cccc(SC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208421,6.9
+N#Cc1ccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL2208417,6.9
+N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208422,6.8
+O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1,CHEMBL2208418,6.8
+O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1,CHEMBL2208425,6.7
+CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)s1,CHEMBL2208426,6.6
+N#Cc1cccc(OC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208419,6.6
+N#Cc1cccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208436,6.5
+N#Cc1cccc(OCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL2208420,6.1
+CCc1[nH]c2cc(C)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355945,7.34
+CCc1[nH]c2cc(O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355946,7.07
+CCc1[nH]c2cc(OC)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355947,6.72
+CCc1[nH]c2cc(C(N)=O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355948,6.51
+CCc1[nH]c2cc(C(=O)O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355949,5.4
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1C,CHEMBL3355950,7.42
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccccc1,CHEMBL3355951,7.17
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1CC(=O)O,CHEMBL3355952,7.21
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(C(=O)O)cc1,CHEMBL3355953,8.31
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(-c2nn[nH]n2)cc1,CHEMBL3355954,8.33
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1Cc1ccc(C(=O)O)cc1,CHEMBL3355955,5.16
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(C(=O)O)cn1,CHEMBL3355956,7.8
+CCOC(=O)Cn1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc21,CHEMBL3355957,7.09
+CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)cc1,CHEMBL3355958,6.92
+CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)nc1,CHEMBL3355959,7.27
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cccc(C(=O)O)n1,CHEMBL3355960,8.3
+CCOC(=O)c1cccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)n1,CHEMBL3355961,7.22
+CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cc(C(=O)O)ccn1,CHEMBL3355962,8.3
+CCOC(=O)c1ccnc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)c1,CHEMBL3355963,7.01
+CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)[nH]c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1,CHEMBL3355964,7.96
+CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)n(-c3ccc(C(=O)O)cn3)c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1,CHEMBL3355965,8.4
+CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)n(-c3ccc(C(=O)OC)cn3)c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1,CHEMBL3355966,7.47
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccccc2)CC1,CHEMBL3355933,7.22
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C)cc2)CC1,CHEMBL3355934,7.49
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(O)cc2)CC1,CHEMBL3355935,7.11
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(OC)cc2)CC1,CHEMBL3355936,7.02
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C(N)=O)cc2)CC1,CHEMBL3355937,6.35
+Cc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355938,7.48
+OCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355939,7.0
+COC(C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355940,8.37
+CCOC(=O)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355941,6.32
+CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355942,7.51
+OCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355943,7.18
+COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355944,8.32
+CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1,CHEMBL3355932,8.24
+CNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670791,7.63
+Cc1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670792,7.16
+COc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670793,7.33
+Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670794,7.17
+CCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670795,6.71
+CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3639696,7.14
+CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670796,7.98
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl,CHEMBL3670797,8.07
+Cc1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670798,9.05
+Cc1cc(C(=O)N2CCOCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670799,8.22
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670800,8.49
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCCC4)ccn3)CC2)ccc1Cl,CHEMBL3670801,8.33
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCOCC4)ccn3)CC2)ccc1Cl,CHEMBL3670802,7.72
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)N(C)c3ccccn3)CC2)ccc1Cl,CHEMBL3670803,5.85
+Cc1cc(C(=O)NCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670804,8.46
+Cc1cc(C(=O)N2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670805,8.17
+Cc1cc(C(=O)NCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670806,8.37
+Cc1cc(C(=O)NCC(F)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670807,8.34
+CCC(C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670808,8.4
+CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670809,8.28
+Cc1cc(C(=O)N(C)C(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670810,8.64
+Cc1cc(C(=O)NC2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670811,8.38
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Br)c(C)c3)CC2)n1,CHEMBL3670812,8.24
+CCc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670813,8.08
+COc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670814,6.64
+CCCCc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670815,6.38
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1,CHEMBL3670816,7.75
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C(C)C)n3)CC2)ccc1Cl,CHEMBL3670817,8.39
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(F)c(C)c3)CC2)n1,CHEMBL3670818,7.15
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1,CHEMBL3670819,7.06
+Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C4CC4)n3)CC2)ccc1Cl,CHEMBL3670820,8.64
+CCc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C)n3)CC2)ccc1Cl,CHEMBL3670821,8.1
+C#Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,CHEMBL3670822,8.1
+Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3cc(C)c(Cl)c(C)c3)CC2)n1,CHEMBL3670823,7.21
+CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1,CHEMBL3670824,8.77
diff --git a/chembl_200/CHEMBL3510.csv b/chembl_200/CHEMBL3510.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6926d1bd58622afdc857c69df97534197a5499da
--- /dev/null
+++ b/chembl_200/CHEMBL3510.csv
@@ -0,0 +1,502 @@
+Nc1ccc(S(N)(=O)=O)cc1,CHEMBL21,5.27
+Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL266240,6.24
+Cn1nc(S(N)(=O)=O)sc1=N,CHEMBL6753,6.61
+NCc1ccc(S(N)(=O)=O)cc1,CHEMBL419,5.49
+Nc1nnc(S(N)(=O)=O)s1,CHEMBL265674,6.55
+Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL7146,7.12
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL268439,7.89
+NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL6685,7.32
+Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL6633,7.05
+Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL6853,6.74
+NS(=O)(=O)c1ccc(CO)cc1,CHEMBL6919,5.42
+NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL6784,5.49
+Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL7092,7.68
+CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL19,7.37
+NS(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL414,6.11
+NNc1ccc(S(N)(=O)=O)cc1,CHEMBL7204,5.84
+NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL7087,5.54
+Nc1ccccc1S(N)(=O)=O,CHEMBL6705,5.19
+Nc1cccc(S(N)(=O)=O)c1,CHEMBL6852,5.32
+Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL418,6.17
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL218490,7.57
+CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL220491,7.62
+Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL6724,7.82
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,7.48
+CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL220492,5.84
+Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL268177,7.1
+NS(=O)(=O)Cc1noc2ccccc12,CHEMBL750,5.28
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,7.6
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL216245,7.97
+CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217454,7.13
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL410510,7.11
+CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL217304,7.12
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL217288,7.97
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(COC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215156,7.14
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL384644,7.19
+CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3cc(CNC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL215105,6.87
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL216312,7.97
+COC(=O)[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216214,6.81
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL217683,6.98
+COC(=O)[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL216563,7.03
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217303,7.12
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL215182,7.15
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217232,6.99
+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL216210,7.11
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL392485,7.96
+CC(=O)O[C@@H]1[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL231897,7.17
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL231896,7.0
+CC(=O)O[C@@H]1[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL394021,7.15
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL214926,7.02
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL216208,7.19
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL386416,7.26
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL386266,7.06
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL425274,7.24
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL383897,6.91
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL385152,8.0
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL387076,7.96
+C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL217569,7.08
+C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL386542,7.95
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395981,7.68
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)NCc5ccc(S(N)(=O)=O)cc5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395734,6.1
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL233019,6.27
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4Cl)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232816,6.2
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(S(N)(=O)=O)c4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232617,5.46
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232616,5.88
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL390035,5.63
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,5.46
+OB(O)c1ccccc1,CHEMBL21485,4.04
+O=[As](O)(O)c1ccccc1,CHEMBL364571,4.08
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,7.32
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,7.28
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,5.31
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,5.38
+Oc1ccccc1O,CHEMBL280998,4.31
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,4.97
+N#Cc1ccc(O)cc1,CHEMBL66381,4.54
+Nc1ccc(O)cc1,CHEMBL1142,5.0
+O=C(O)c1ccccc1O,CHEMBL424,4.3
+Oc1cc(F)ccc1F,CHEMBL261219,4.47
+Oc1ccc(O)cc1,CHEMBL537,4.38
+Oc1cccc(O)c1,CHEMBL24147,4.97
+COc1cc2c(cc1OC)C(c1ccccc1)N(S(N)(=O)=O)CC2,CHEMBL466841,5.41
+COc1cc2c(cc1OC)C(c1ccc(Br)cc1)N(S(N)(=O)=O)CC2,CHEMBL466842,5.15
+COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2,CHEMBL468729,5.05
+COc1cc2c(cc1OC)C(c1ccc(C#N)cc1)N(S(N)(=O)=O)CC2,CHEMBL468730,5.52
+COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(S(N)(=O)=O)CC2,CHEMBL511425,5.16
+COc1cc2c(cc1OC)C(c1ccc(C)cc1)N(S(N)(=O)=O)CC2,CHEMBL468106,5.15
+COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2,CHEMBL468105,5.27
+COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2,CHEMBL466647,6.68
+COc1cc2c(cc1OC)C(c1cccc(N)c1)N(S(N)(=O)=O)CC2,CHEMBL511554,5.18
+COc1cc2c(cc1OC)C(c1ccc(N)cc1)N(S(N)(=O)=O)CC2,CHEMBL469148,5.51
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,6.12
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,7.89
+NS(=O)(=O)c1ccc2c(c1)CCC2,CHEMBL364869,8.19
+NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL457996,8.24
+NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL186263,7.09
+CC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL184674,6.17
+CC(=O)NC1Cc2ccc(S(=O)(=O)O)cc2C1,CHEMBL454461,7.17
+CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL359768,6.07
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,6.18
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,6.6
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,7.32
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,6.47
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,CHEMBL184361,7.62
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,8.14
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)cc(F)c1F)C2,CHEMBL186963,9.33
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,7.21
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,8.3
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,7.4
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,8.66
+CCCCCCCCCC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL456889,5.99
+COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL500454,8.25
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2,CHEMBL364127,8.57
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,6.37
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,6.33
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,6.65
+CCCCCCCCOS(N)(=O)=O,CHEMBL24261,6.41
+CCCCCCCCCCOS(N)(=O)=O,CHEMBL153094,6.15
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,6.22
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,6.07
+COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C,CHEMBL572366,5.14
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,6.33
+O=c1ccc2ccccc2o1,CHEMBL6466,7.32
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.05
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,5.05
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,5.07
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,5.06
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,5.25
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,5.08
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,5.06
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.09
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,5.07
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,5.49
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,5.42
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,7.32
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,5.11
+COC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL567896,7.38
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,7.39
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,5.21
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,5.21
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,7.34
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,7.4
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.04
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.15
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.03
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.06
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.18
+Oc1ccccc1,CHEMBL14060,4.94
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.27
+O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CHEMBL6246,5.05
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,8.15
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL77517,6.98
+CCOc1ccncc1S(N)(=O)=O,CHEMBL1165319,7.28
+NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,CHEMBL1165726,7.22
+Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1,CHEMBL1165071,7.15
+NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,CHEMBL1164504,6.8
+CSc1ccncc1S(N)(=O)=O,CHEMBL1165117,7.01
+N#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164420,6.85
+C#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164486,7.25
+NS(=O)(=O)c1cnccc1SCc1ccccc1,CHEMBL1164472,7.17
+NC(=O)CSc1ccncc1S(N)(=O)=O,CHEMBL1163376,6.85
+C=CCNc1ccncc1S(N)(=O)=O,CHEMBL1164966,6.84
+CC1CC=NN1c1ccncc1S(N)(=O)=O,CHEMBL1163382,6.82
+CNNc1ccncc1S(N)(=O)=O,CHEMBL1164878,7.02
+NNc1ccncc1S(N)(=O)=O,CHEMBL1164967,7.03
+NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1,CHEMBL1165061,6.83
+N#Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165062,7.03
+Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165822,7.29
+NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1,CHEMBL1165695,7.08
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,9.05
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209038,8.12
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,8.29
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,6.16
+NCCNCCCNCCN,CHEMBL1214193,4.44
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,6.13
+NCCCCCCN,CHEMBL303004,6.19
+NCCCCCN,CHEMBL119296,6.3
+NCCNCCN,CHEMBL303429,5.0
+NCCNc1cccc2ccccc12,CHEMBL1214195,6.23
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,5.99
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,5.17
+CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F,CHEMBL1212954,4.07
+CC(=O)NCCNc1cccc2ccccc12,CHEMBL1214323,4.47
+NCCNCCNCCN,CHEMBL609,4.92
+NCCCNCCCCNCCCN,CHEMBL23194,6.07
+NCCCCNCCCN,CHEMBL19612,6.0
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,6.08
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,4.92
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,4.93
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,4.94
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,4.93
+CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23285,6.14
+CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083756,6.19
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1085092,6.18
+CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085095,6.19
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1084064,6.17
+CCC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CHEMBL1083382,7.18
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)CC,CHEMBL1084702,6.21
+CCC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083684,7.21
+CCC(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085033,7.11
+CCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085034,8.26
+CCC(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL73460,7.09
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,CHEMBL574782,7.34
+CCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085467,7.11
+CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1084856,6.11
+CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1085093,8.14
+CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1085094,7.15
+CCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1084063,8.19
+CCC(C)C(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1083381,8.16
+CCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL1083383,7.15
+CC(C)(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1084951,7.19
+CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1082898,6.16
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CHEMBL366069,7.46
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187901,7.62
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187274,7.81
+NS(=O)(=O)c1ccc(Nc2nc(NCC(=O)O)nc(NCC(=O)O)n2)cc1,CHEMBL1813206,8.14
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL191045,8.03
+COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813207,8.15
+COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1738792,8.19
+NS(=O)(=O)c1ccc(Nc2nc(NCCC(=O)O)nc(NCCC(=O)O)n2)cc1,CHEMBL1813208,9.04
+CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O,CHEMBL1813209,8.0
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813210,8.13
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1,CHEMBL1738787,8.42
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1,CHEMBL1813211,7.56
+CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813212,6.23
+COC(=O)CNc1nc(NCC(=O)OC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813213,8.04
+CC(Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813214,8.05
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL1813215,7.77
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813216,7.14
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,7.98
+COC(=O)CNc1nc(Cl)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190733,7.63
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL190024,7.75
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813217,7.11
+CC(Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813218,8.06
+NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813219,8.12
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,8.39
+NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1,CHEMBL1817905,7.01
+CN(C)c1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817904,7.06
+Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817903,6.98
+Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O,CHEMBL1817902,6.95
+NS(=O)(=O)c1cnccc1-[n+]1ccccc1,CHEMBL1817901,6.82
+NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1242890,7.03
+COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O,CHEMBL1817906,7.12
+NS(=O)(=O)c1cnccc1-n1ccccc1=O,CHEMBL1817907,7.09
+COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,CHEMBL1817672,7.06
+NS(=O)(=O)c1cnccc1Oc1ccncc1S(N)(=O)=O,CHEMBL1817908,6.9
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,8.11
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,8.08
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,8.31
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,7.84
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccccc1,CHEMBL1923674,8.1
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Br)cc1,CHEMBL1923675,8.08
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Cl)cc1,CHEMBL1923676,7.27
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C#N)cc1,CHEMBL1923677,7.7
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(F)cc1,CHEMBL1923678,8.17
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C)cc1,CHEMBL1923679,8.11
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc([N+](=O)[O-])c1,CHEMBL1923680,8.2
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc([N+](=O)[O-])cc1,CHEMBL1923681,8.02
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc(N)c1,CHEMBL1923682,8.15
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(N)cc1,CHEMBL1923683,8.07
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,7.44
+OC(=S)c1ccccc1,CHEMBL1955873,5.34
+[O-][n+]1ccccc1S,CHEMBL1356238,5.54
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,5.38
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,7.8
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,7.32
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956743,8.08
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956744,8.07
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956745,8.06
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956746,7.99
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956747,6.9
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956748,6.09
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956749,8.06
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956750,7.97
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956751,8.1
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956752,8.07
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956753,8.06
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956754,7.98
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956755,8.07
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956756,8.07
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956757,8.04
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956758,7.97
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956759,7.39
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956760,7.8
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956761,8.1
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956762,8.1
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956763,6.9
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956764,6.89
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956765,6.97
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956766,8.09
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956767,8.01
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956768,8.07
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956769,8.11
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956770,8.07
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956771,7.26
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956772,7.36
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956773,8.08
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956774,8.07
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.48
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.55
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.71
+COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2048917,8.37
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2,CHEMBL2048918,6.99
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)NCC2,CHEMBL2048919,6.95
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)N(S(N)(=O)=O)CC2,CHEMBL2048920,7.06
+COc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048921,7.3
+CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048922,8.07
+CCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048923,7.29
+NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1,CHEMBL2048924,7.65
+COc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048925,8.05
+CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048926,7.75
+CCCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048927,8.06
+NS(=O)(=O)c1ccc(C2=NCCc3cc(O)ccc32)cc1,CHEMBL2048928,7.33
+COc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048929,8.07
+CCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048930,8.06
+CCCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048931,7.82
+NS(=O)(=O)c1ccc(C2NCCc3cc(O)ccc32)cc1,CHEMBL2048932,7.25
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048933,8.28
+CCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048934,8.17
+CCCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048935,8.04
+NS(=O)(=O)c1ccc(C2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1,CHEMBL2048936,7.61
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,6.97
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,6.07
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,6.15
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,6.26
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,6.1
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,6.03
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.19
+Nc1cccc(O)c1,CHEMBL269755,5.14
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,6.15
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,6.26
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,6.13
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,6.2
+COc1ccc(OC)cc1,CHEMBL1668604,5.17
+COc1ccccc1OC,CHEMBL1668603,5.17
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.14
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.1
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.08
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.07
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.08
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.11
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,6.19
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.11
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.07
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.05
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,6.16
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.08
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.09
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.12
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.19
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.08
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.11
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,6.1
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,4.17
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.48
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.13
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.07
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,4.15
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,6.09
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.11
+COC(=O)c1ccc(O)cc1,CHEMBL325372,5.39
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.15
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.37
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.64
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.34
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.25
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.23
+COC(=O)CCNS(=O)(=O)Oc1ccccc1O,CHEMBL466083,5.07
+COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL2335234,5.27
+CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC,CHEMBL511132,5.09
+COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL450699,5.23
+CCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL199831,5.08
+COC(=O)[C@@H](NS(=O)(=O)N[C@H](C(=O)OC)C(C)C)C(C)C,CHEMBL471637,5.1
+COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC,CHEMBL501961,5.12
+COC(=O)CCNS(=O)(=O)NCCC(=O)OC,CHEMBL461137,5.08
+O=S(=O)(N1CCOCC1)N1CCOCC1,CHEMBL388326,4.31
+O=S(=O)(NC1CCCCC1)NC1CCCCC1,CHEMBL388325,5.0
+O=S(=O)(NC1CC1)NC1CC1,CHEMBL229189,5.06
+CCCCNS(=O)(=O)NCCCC,CHEMBL229137,5.01
+O=S(=O)(NCc1ccccc1)NCc1ccccc1,CHEMBL229190,4.45
+CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C,CHEMBL375030,4.28
+CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1,CHEMBL229904,4.39
+CCCN(CCC)S(N)(=O)=O,CHEMBL229954,5.15
+NS(=O)(=O)NCc1ccccc1,CHEMBL168526,6.08
+CCCC(CCC)COS(N)(=O)=O,CHEMBL2335233,6.07
+CCCCCCOS(N)(=O)=O,CHEMBL2335232,6.09
+COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC,CHEMBL2387066,6.66
+COc1cccc(CCNS(N)(=O)=O)c1OC,CHEMBL2387067,6.74
+COc1ccc(CCNS(N)(=O)=O)cc1OC,CHEMBL2387068,7.51
+COc1ccc(CCNS(N)(=O)=O)cc1,CHEMBL2387069,8.15
+COc1ccccc1CCNS(N)(=O)=O,CHEMBL2387070,6.8
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,5.61
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,4.9
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1,CHEMBL2391081,5.14
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2)O1,CHEMBL250638,5.03
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,5.47
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,6.9
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,6.67
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,5.48
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,6.66
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,7.38
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,6.86
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092810,7.6
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092811,6.83
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092812,7.12
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092813,7.23
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3092814,7.3
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092815,7.35
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092816,7.8
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092817,7.17
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092818,7.45
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092819,7.96
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL437092,7.8
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL272877,7.7
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092934,6.34
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092935,6.86
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092936,7.17
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092938,7.11
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3092937,7.34
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092939,7.63
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092940,7.4
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092941,6.75
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092942,6.92
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092943,6.59
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL269852,6.98
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL270990,7.3
+C#Cc1cccc(S(N)(=O)=O)c1,CHEMBL1232090,6.93
+C#Cc1ccc(S(N)(=O)=O)cc1,CHEMBL272881,7.19
+NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,CHEMBL3098848,8.12
+NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1,CHEMBL3098849,7.71
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,6.47
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,5.27
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,6.11
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,6.62
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,7.18
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,6.46
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,7.15
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,7.32
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,7.23
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1,CHEMBL3613783,7.41
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(O)ccc32)cc1,CHEMBL3613782,7.19
+COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3613781,8.1
+NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1,CHEMBL3613780,8.02
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1,CHEMBL3613779,7.21
+COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2,CHEMBL3613778,7.19
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1,CHEMBL3613777,8.24
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2,CHEMBL3613776,8.14
+NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1,CHEMBL3613775,7.24
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,6.19
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,6.22
+COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O,CHEMBL457076,6.11
+COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,CHEMBL481245,6.14
+COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O,CHEMBL3628210,6.12
+O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1,CHEMBL1095574,6.09
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,6.43
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,6.51
+COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632825,9.17
+CC(C)(C)OC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632826,9.47
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3632827,9.12
+NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632828,7.86
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCO)cc2)cc1,CHEMBL3632829,9.16
+NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3632830,9.39
+Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632831,8.43
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,CHEMBL3632832,9.08
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1,CHEMBL3632833,9.11
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1,CHEMBL3632834,7.79
+COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632835,8.17
+COC(=O)c1ccc(C(O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632836,9.38
+COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632837,8.34
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632838,9.03
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632839,8.4
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632840,9.08
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632841,8.44
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632842,8.07
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632843,8.43
+Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632844,9.59
+Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632845,9.17
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3741011,7.39
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,7.48
+NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1,CHEMBL3741975,7.89
+NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1,CHEMBL3740300,7.27
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc(S(N)(=O)=O)c5)nn4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3740484,7.5
+COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL3754723,8.1
+COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752196,7.64
+COC(=O)CCNS(=O)(=O)NCCc1ccccc1,CHEMBL3752390,8.14
+COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1,CHEMBL3754060,8.12
+CCCCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL3754185,8.21
+COC(=O)CCNS(=O)(=O)NCC(C)C,CHEMBL3752852,8.2
+COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C,CHEMBL3752046,8.13
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752328,8.19
+COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C,CHEMBL3754636,8.11
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C,CHEMBL3752037,8.11
+O=S(=O)(O)NC1CCCCC1,CHEMBL273977,8.18
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,6.42
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,8.21
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,8.4
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,8.36
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,8.21
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,8.34
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,8.34
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,8.14
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,8.17
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,8.36
diff --git a/chembl_200/CHEMBL3571.csv b/chembl_200/CHEMBL3571.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f670f66a99cd5f71723439a1d52416f11bbc4535
--- /dev/null
+++ b/chembl_200/CHEMBL3571.csv
@@ -0,0 +1,774 @@
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL422633,5.86
+CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL422637,5.76
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL138927,6.21
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL138040,5.5
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL138921,6.54
+CC/C=C\C/C=C\C/C=C/C/C=C\CCCCC(=O)NCCc1ccc(O)c(O)c1,CHEMBL343285,5.61
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(O)CO,CHEMBL140841,5.45
+CCCCC/C=C\C/C=C\C/C=C\CCCCCOC(CO)CO,CHEMBL140960,4.86
+CCCCC/C=C\C/C=C\CCCCCCCCOC(CO)CO,CHEMBL140928,4.65
+CCCCCCCC/C=C\CCCCCCCCOC(CO)CO,CHEMBL341733,4.59
+CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL71401,9.34
+CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL73060,9.31
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL411626,9.09
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)CCCO,CHEMBL59467,5.68
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)CCCO,CHEMBL301998,6.44
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL465,7.343
+CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2,CHEMBL109692,6.22
+CCCCCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL328379,6.1
+CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C,CHEMBL2112646,7.64
+CC(C)(C)CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21,CHEMBL2112647,8.92
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O,CHEMBL325195,6.87
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2)cc1O,CHEMBL118646,7.23
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2(Cl)Cl)cc1O,CHEMBL122190,6.18
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl,CHEMBL120669,8.9
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1,CHEMBL476325,9.49
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2(Br)Br)cc1O,CHEMBL121353,6.72
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Br)Br,CHEMBL118631,9.15
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2,CHEMBL111340,8.21
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)CC21,CHEMBL432107,9.86
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc12,CHEMBL113230,7.347
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)CC21,CHEMBL111099,7.535
+Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL327822,7.71
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL328970,7.66
+Cc1c(C(=O)N[C@@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2112364,6.92
+Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL93328,7.99
+Cc1c(C(=O)NO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL91666,5.79
+CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL330030,7.88
+CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL92800,7.855
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15874,8.79
+CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL90026,7.27
+CCCCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL558341,7.34
+Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL15779,6.435
+Cc1c(C(=O)NCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL90040,6.825
+CCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL93564,6.99
+Cc1c(C(=O)NN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL94239,6.325
+CCCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL419138,7.16
+CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL314197,7.575
+CNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL88548,6.315
+Cc1c(C(=O)NNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL327587,7.415
+Cc1c(C(=O)N[C@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2111564,6.965
+Cc1c(C(=O)NCCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL93879,6.805
+CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL74415,6.545
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc2c(c1)OCO2,CHEMBL348404,8.15
+COc1ccc(-c2c(Br)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Cl)cc1,CHEMBL156146,8.21
+O=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL160963,8.05
+COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Cl)cc1,CHEMBL351146,8.1
+COc1ccc(-c2c(C)c(C(=O)NCCN3CCCC3CCN)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL156981,6.42
+COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2F)cc1,CHEMBL349563,7.42
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Br,CHEMBL349088,8.85
+COc1ccc(-c2c(C)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL434084,8.15
+COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL160723,8.39
+COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2OC)cc1,CHEMBL345216,6.36
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(O)cc1,CHEMBL157201,6.98
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL476833,8.13
+COc1ccc(-c2c(F)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Cl)cc1,CHEMBL158967,7.74
+COc1ccc(-c2c(Br)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL161163,8.28
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OC2CCCN2C(=O)OC(C)(C)C)cc1,CHEMBL2112914,6.41
+Cc1c(C(=O)Nn2cccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL167661,7.77
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1I,CHEMBL165134,7.27
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL286188,7.77
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL33652,7.495
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc([N+](=O)[O-])cc1,CHEMBL349512,7.24
+Cc1c(C(=O)N(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL285473,7.185
+CCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL354476,6.74
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,CHEMBL36250,7.24
+Cc1c(C(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL352460,6.9
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1N,CHEMBL424527,6.46
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1[N+](=O)[O-],CHEMBL349513,6.59
+Cc1c(C(=O)Nc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL35657,7.51
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1,CHEMBL285153,6.91
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(N)cc1,CHEMBL349955,7.09
+Cc1c(C(=O)N2CCN(C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL422034,6.49
+Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL36569,8.11
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL34201,7.875
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1cccn1C,CHEMBL417158,6.91
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1cccs1,CHEMBL285061,5.52
+CCCCCc1cc2c(c3c1CCCO3)C1CC=CC[C@H]1C(C)(C)O2,CHEMBL113247,6.44
+C=C1CC[C@@H]2C(C1)c1c(cc(CCCCC)c3c1OCCC3)OC2(C)C,CHEMBL114078,6.05
+CCCCCc1cc2c(c3c1CCCO3)C1CC(=O)CC[C@H]1C(C)(C)O2,CHEMBL109758,7.05
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CC)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL120644,7.95
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCC)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL262559,7.84
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL119914,8.55
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCI)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL119942,7.39
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL121118,8.66
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCI)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL116769,8.66
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL85071,8.64
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL120778,8.72
+CCCCC/C=C\C/C=C\CCCCCCCC1=NCCO1,CHEMBL346428,5.09
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC1=N[C@H](C)CO1,CHEMBL357526,6.17
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)CC,CHEMBL151496,6.94
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)COC(C)=O,CHEMBL151717,6.38
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO,CHEMBL120526,7.692
+CCCCCCCC/C=C\CCCCCCCC1=NCCO1,CHEMBL151068,4.85
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)CO,CHEMBL356213,4.68
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)CCO,CHEMBL150849,6.905
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(O)NC(C)(C)CO,CHEMBL149691,6.77
+CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)CO,CHEMBL151084,4.6
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)C,CHEMBL150942,7.105
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC,CHEMBL151862,6.48
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(C)C,CHEMBL421967,7.03
+CCCCCC1CCc2c(cc3c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O3)C1,CHEMBL63553,6.4
+CCCCCCC1CCCc2c1cc1c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O1,CHEMBL303479,7.65
+CCCCCCC1CCCc2c1cc(O)c1c2OC(C)(C)[C@@H]2CC=C(C)C[C@@H]12,CHEMBL66161,6.27
+CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL126114,8.06
+CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL127848,8.92
+CCCCCC#Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL341511,8.24
+CCCCC/C=C\c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL441284,9.1
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N1CCCC(O)C1,CHEMBL140773,5.77
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)Nc1cccc(O)c1,CHEMBL141647,5.81
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1,CHEMBL434069,6.66
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=S)N[C@H](C)CO,CHEMBL142066,5.66
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccccc1O,CHEMBL137899,5.78
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCC(O)CC,CHEMBL343975,6.69
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC(CO)CO,CHEMBL141463,6.44
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=S)NCCO,CHEMBL342659,5.86
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1,CHEMBL108085,9.28
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3SCCS3)cc1OC2(C)C,CHEMBL111345,6.77
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCCS1,CHEMBL108392,8.74
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)Sc2ccccc2S1,CHEMBL322112,7.24
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL108868,9.35
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SC(C)C(C)S1,CHEMBL325135,7.49
+CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1,CHEMBL131627,9.96
+CCCCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO,CHEMBL122729,6.17
+CCCCC/C=C\C[C@@H](O)/C=C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL121778,6.82
+CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)NCCO,CHEMBL121779,6.17
+CCCCC[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO,CHEMBL331254,6.22
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC,CHEMBL15755,7.22
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NC(C)C,CHEMBL423602,8.14
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCC(C)C,CHEMBL158544,6.24
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCC,CHEMBL429055,7.93
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO,CHEMBL321585,7.465
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC(C)C(=O)NCCC,CHEMBL158649,8.13
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NC[C@@H](C)O,CHEMBL2110160,6.81
+CC/C=C/C/C=C\C/C=C/C/C=C\C/C=C/CCCC(=O)NCCO,CHEMBL161521,6.79
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCOC,CHEMBL75591,7.07
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)N[C@@H](C)CO,CHEMBL2110296,6.72
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)N[C@H](C)CO,CHEMBL2110161,7.51
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC,CHEMBL15873,7.47
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC,CHEMBL160350,8.16
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)O,CHEMBL158956,6.72
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)C(=O)NC(C)C,CHEMBL160975,8.08
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC(C)C(=O)NCCO,CHEMBL158468,7.49
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NC[C@H](C)O,CHEMBL2110295,7.33
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)C,CHEMBL16424,7.87
+CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,CHEMBL121316,5.82
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCC,CHEMBL15566,6.63
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCO,CHEMBL277297,7.52
+CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C\C/C=C/CCC(=O)NCCO,CHEMBL161520,6.49
+CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO,CHEMBL121229,7.275
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCCO,CHEMBL160717,6.3
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)CO,CHEMBL162244,6.805
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)CC,CHEMBL159181,6.35
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NCCO,CHEMBL423382,7.365
+CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL286222,7.64
+Cc1c(COCc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL287017,8.22
+CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C,CHEMBL432272,8.52
+CCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL36032,7.68
+CCCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL287472,7.33
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c([N+](=O)[O-])cccc12,CHEMBL36232,6.69
+CCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL287610,9.0
+Cc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL286302,7.77
+Cc1c(C(=O)NN2CCCCC2)nn(C2CCCCC2)c1-c1ccccc1,CHEMBL432857,6.41
+CCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL284331,6.73
+CCCCc1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1,CHEMBL285026,6.59
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(Cl)cc1,CHEMBL34805,6.96
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(N)cc2)c1-c1ccc(Cl)cc1,CHEMBL285964,7.14
+Cc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL35835,7.0
+CC(=O)c1ccc(-c2c(C)c(C(=O)Nc3ccccc3)nn2-c2ccccc2Cl)cc1,CHEMBL287353,8.15
+CCCCCc1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1,CHEMBL36553,5.87
+CCC(C)c1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1,CHEMBL32855,7.43
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+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c(Cl)cccc12,CHEMBL36579,6.13
+CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1,CHEMBL285259,7.2
+CCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1,CHEMBL32929,6.11
+Cc1c(COCCN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2113343,6.63
+CCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL35918,6.74
+CCCCCCC(O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL19691,7.06
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+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCF,CHEMBL62040,7.27
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCC,CHEMBL58281,6.905
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NC(C)C,CHEMBL59933,6.785
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(=O)NC(C)C,CHEMBL61107,6.0
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCCC,CHEMBL58543,5.77
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(=O)NCC,CHEMBL294826,5.66
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCC(C)C,CHEMBL305541,6.47
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCCOC,CHEMBL61450,6.13
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCC,CHEMBL59934,6.81
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)OCC,CHEMBL61407,6.66
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)CC,CHEMBL60995,5.88
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(C)C,CHEMBL60890,5.61
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)C,CHEMBL59064,6.06
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCO,CHEMBL450007,6.1
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC,CHEMBL61184,5.66
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCC,CHEMBL61768,5.97
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(=O)NCCC,CHEMBL61055,6.33
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)OCCF,CHEMBL61341,6.48
+C#CCOCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCC,CHEMBL61114,5.8
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCO,CHEMBL61115,6.46
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC,CHEMBL58019,5.37
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCF,CHEMBL60403,6.05
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC1CC1,CHEMBL61918,6.24
+C=CCOCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL58304,5.93
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NC,CHEMBL61660,6.36
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)OC(C)C,CHEMBL60449,5.91
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CCC(O)CC1,CHEMBL3084975,6.66
+CCCCCCCCCCCCCCCCCC(=O)NCCO,CHEMBL171447,6.66
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OCCN,CHEMBL187349,5.72
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO,CHEMBL146346,7.68
+CCCCCn1c(C)c(C(=O)Cc2ccccc2C)c2ccccc21,CHEMBL188494,7.64
+CCCCCn1cc(C(=O)Cc2ccccc2)c2ccccc21,CHEMBL365878,7.045
+CCCCCn1cc(C(=O)Cc2ccc(C)cc2)c2ccccc21,CHEMBL187354,6.75
+CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21,CHEMBL364820,7.54
+CCCCCn1c(C)c(C(=O)Cc2ccccc2)c2ccccc21,CHEMBL186525,6.91
+CCCCCn1c(C)c(C(=O)Cc2cccc(OC)c2)c2ccccc21,CHEMBL188887,7.21
+CCCCCn1c(C)c(C(=O)Cc2ccccc2OC)c2ccccc21,CHEMBL361088,7.6
+CCCCCn1c(C)c(C(=O)Cc2ccc(C)cc2)c2ccccc21,CHEMBL187771,6.13
+CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21,CHEMBL188031,7.96
+CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc21,CHEMBL186674,7.77
+CCCCCn1c(C)c(C(=O)Cc2ccc(OC)cc2)c2ccccc21,CHEMBL364111,5.78
+CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2ccccc21,CHEMBL188940,5.97
+CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc21,CHEMBL190469,7.41
+CCCCCn1cc(C(=O)Cc2ccccc2F)c2ccccc21,CHEMBL187883,7.64
+CCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2ccccc21,CHEMBL187412,6.37
+CCCCCn1c(C)c(C(=O)Cc2ccc(F)cc2)c2ccccc21,CHEMBL190127,5.54
+CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21,CHEMBL189035,8.1
+CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc21,CHEMBL361032,7.89
+CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc21,CHEMBL188822,7.42
+CCCCCn1c(C)c(C(=O)Cc2cccc(Cl)c2)c2ccccc21,CHEMBL188910,6.93
+CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc21,CHEMBL188819,6.41
+CCCCCn1c(C)c(C(=O)Cc2ccc(Cl)cc2)c2ccccc21,CHEMBL187813,5.8
+CCCCCn1cc(C(=O)Cc2ccccc2Br)c2ccccc21,CHEMBL363471,8.075
+CCCCCn1c(C)c(C(=O)Cc2ccccc2Br)c2ccccc21,CHEMBL187559,7.82
+CCCCCn1cc(C(=O)Cc2ccc(Br)cc2)c2ccccc21,CHEMBL190305,5.99
+CCCCCn1cc(C(=O)Cc2cccc(F)c2)c2ccccc21,CHEMBL189545,7.14
+CCCCCn1c(C)c(C(=O)Cc2ccc(Br)cc2)c2ccccc21,CHEMBL186332,5.47
+CCCCCn1c(C)c(C(=O)Cc2cccc(F)c2)c2ccccc21,CHEMBL427524,6.37
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL434351,8.17
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL371167,7.46
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C=C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL191324,7.31
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL372866,7.1
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL480107,7.53
+CCCCCCCC/C=C\CCCCCCCC(N)=O,CHEMBL15927,5.94
+CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL68641,9.085
+CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc21,CHEMBL436120,7.74
+CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL370573,8.0
+Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1CC1CCCCN1C,CHEMBL197257,5.54
+Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1CC1CCCCN1C,CHEMBL196592,5.74
+CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL364266,8.735
+CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL2093080,8.74
+CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL1788276,6.25
+Cc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12,CHEMBL370009,8.96
+CN1CCCCC1Cn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21,CHEMBL193331,9.15
+CN1CCCCC1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21,CHEMBL195297,8.77
+COc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12,CHEMBL195838,8.64
+CN1CCCCC1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21,CHEMBL371328,8.66
+CN1CCCCC1Cn1cc(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc21,CHEMBL194998,8.96
+CN1CCCCC1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21,CHEMBL364223,8.89
+CN1CCCCC1Cn1cc(C(=O)c2cccc3cc(O)ccc23)c2ccccc21,CHEMBL194314,8.4
+Cc1ccc2ccccc2c1C(=O)c1cn(CC2CCCCN2C)c2ccccc12,CHEMBL445392,8.11
+CN1CCCCC1Cn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21,CHEMBL196648,7.0
+CN1CCCCC1Cn1cc(C(=O)N2CCCC3CCCCC32)c2ccccc21,CHEMBL196834,7.92
+CN1CCCCC1Cn1nc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL194313,8.85
+CN1CCCCC1Cn1cc(C(=O)c2ccc([N+](=O)[O-])c3ccccc23)c2ccccc21,CHEMBL196364,7.91
+O=C(CCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCN=C=S)NC1CC1,CHEMBL2113101,8.89
+N#[N+][N-]CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1,CHEMBL2113102,9.05
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC1CC1,CHEMBL418353,8.615
+O=C1C(c2ccccc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL380415,6.61
+O=C1C(c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL201383,5.76
+O=C1C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1,CHEMBL381560,5.58
+O=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1,CHEMBL383287,6.51
+CCCCCCC(C)(C)c1cc(O)c(C2CC(C)CC[C@H]2C(C)C)c(O)c1,CHEMBL201767,7.77
+CCCCCc1cc(O)c(C2CC(C)CC[C@H]2C(C)C)c(O)c1,CHEMBL204497,6.84
+CCCCCCC(C)(C)c1cc(O)c(C2C=C(C)CC[C@H]2C(C)C)c(O)c1,CHEMBL202287,6.91
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O,CHEMBL383265,6.5
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCC2)cc1O,CHEMBL202653,6.59
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O,CHEMBL202652,6.12
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2ccc(C)cc2)cc1O,CHEMBL205685,6.2
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCCC3)cc1OC2(C)C,CHEMBL205888,8.08
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCC3)cc1OC2(C)C,CHEMBL206859,7.55
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cccc4ccccc34)cc1OC2(C)C,CHEMBL381492,7.93
+CCCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL205908,7.24
+CCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL203131,6.92
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C,CHEMBL382684,7.02
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccnc1,CHEMBL218956,6.72
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc2ccccc2c1,CHEMBL374254,6.48
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc2ccccc12,CHEMBL376028,7.39
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(C(F)(F)F)cc1,CHEMBL375791,6.66
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(Cl)cc1,CHEMBL219027,6.56
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(F)cc1,CHEMBL374292,7.39
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(OC)cc1,CHEMBL220413,6.55
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(CCCC)cc1,CHEMBL219580,7.38
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(CC)cc1,CHEMBL426706,7.47
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(C)cc1,CHEMBL385653,6.89
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc([N+](=O)[O-])c1,CHEMBL218253,7.0
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(C(F)(F)F)c1,CHEMBL219556,6.61
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(Cl)c1,CHEMBL374937,7.15
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(F)c1,CHEMBL220304,7.8
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(OC)c1,CHEMBL385994,7.28
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(C)c1,CHEMBL219243,7.17
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1C(F)(F)F,CHEMBL384897,7.11
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1Cl,CHEMBL216837,8.1
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1F,CHEMBL216857,8.11
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1OC,CHEMBL218202,7.54
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1CCCC,CHEMBL375802,7.22
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1CC,CHEMBL220352,7.77
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1C,CHEMBL220180,8.25
+CCCCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL219970,7.68
+CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL385940,7.85
+CCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL216836,7.22
+CCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL217969,6.39
+CCCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1,CHEMBL374982,7.96
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231565,8.41
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL231466,9.14
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL389118,9.03
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL231465,8.82
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231464,7.87
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL231369,8.0
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL390404,8.57
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL231368,9.32
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231367,7.74
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL231268,8.82
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(O)cc1-2,CHEMBL238359,8.59
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(OC)cc1-2,CHEMBL235585,8.27
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12,CHEMBL429797,6.4
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12,CHEMBL266712,6.44
+Cc1ccc(-c2ncc(C(=O)NCCCc3ccccc3)nc2-c2ccc(C)cc2)cc1,CHEMBL246063,7.1
+CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,CHEMBL393837,7.52
+Cc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1,CHEMBL245468,7.46
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1C(O)CCCC1O,CHEMBL246628,6.275
+CCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL260483,5.42
+CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL264412,6.24
+CCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL260253,6.51
+CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL408777,6.26
+CCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL259723,6.58
+CCCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,CHEMBL259518,6.25
+CCCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL265934,6.13
+CCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL265933,6.71
+CCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL260130,6.19
+CCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL261495,5.99
+CCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL261494,5.76
+CCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,CHEMBL260005,5.06
+CCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL262337,5.77
+CCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL262336,6.1
+CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL263386,5.53
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1,CHEMBL263385,5.68
+CCCCCCCCCCCCC/C=C/CC/C=C(\C)C(=O)NCCO,CHEMBL459704,4.71
+CCCCCCCCCCCCCCC[C@H]1O[C@]1(C)C(=O)NC(C)COC(C)=O,CHEMBL466777,4.75
+CCCCCCCCCCCCC/C=C/CC/C=C(\C)C(=O)NCCOC(C)=O,CHEMBL465162,4.73
+O=C(NN1CCCCC1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL473645,6.23
+Clc1ccc(-c2cnnn2-c2ccc(Cl)cc2)cc1,CHEMBL503677,5.16
+Clc1ccc(-c2cnnn2-c2ccc(Cl)cc2Cl)cc1,CHEMBL504920,5.85
+COC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,CHEMBL480564,5.36
+COC(=O)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL521409,7.18
+CCOC(=O)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL521266,6.74
+CCCOC(=O)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL480591,8.34
+O=C(Oc1ccccc1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL474442,7.96
+O=C(OCc1ccccc1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL474443,7.01
+O=C(OC1CCCCC1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL520927,6.62
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL526749,6.08
+COc1ccc(C2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C(C)Cl)C(C)C)cc1,CHEMBL526456,6.66
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)c1ccccc1Cl,CHEMBL522247,6.86
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)c1ccccc1C,CHEMBL497006,6.3
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)c1ccccc1F,CHEMBL521738,6.46
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)CC(C)C,CHEMBL496596,6.63
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)C1CCCC1,CHEMBL496597,6.22
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)C1CCC1,CHEMBL498424,6.67
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)C1CC1,CHEMBL498425,7.11
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)CC,CHEMBL521717,6.27
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)COC,CHEMBL496207,6.34
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)C(C)Cl,CHEMBL496812,7.34
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C(=O)C(C)Cl,CHEMBL496221,6.59
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(F)cc1)C(=O)C(C)Cl,CHEMBL495836,6.79
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C(=O)C(C)Cl,CHEMBL496032,7.35
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(OC)cc1)C(=O)C(C)C,CHEMBL498627,6.91
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)cc1OC2(C)C,CHEMBL492012,8.05
+CC1=CC[C@@H]2[C@@H](C1)c1c(ccc(C[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1O)OC2(C)C,CHEMBL489375,7.31
+CC1=CC[C@@H]2[C@@H](C1)c1c(ccc(C[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1O)OC2(C)C,CHEMBL521915,7.49
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)cc1OC2(C)C,CHEMBL489374,7.22
+CCNC1(C(N)=O)CN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)C1,CHEMBL498783,8.69
+CC(C)C(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL497557,9.39
+O=S1(=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1,CHEMBL496091,9.08
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\Cc1ccccc1,CHEMBL462607,6.46
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCc1ccccc1,CHEMBL462608,6.62
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCCc1ccccc1,CHEMBL516986,7.16
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccccc1,CHEMBL460307,7.88
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccccc1,CHEMBL460306,7.12
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCc1cccc2ccccc12,CHEMBL516628,6.17
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(F)c1,CHEMBL462593,7.52
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Cl)c1,CHEMBL460485,7.05
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Br)c1,CHEMBL460486,7.02
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(I)c1,CHEMBL460487,6.27
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCc1cccc(C(F)(F)F)c1,CHEMBL474531,6.55
+Cc1cccc(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL474532,6.46
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccccc1Br,CHEMBL474733,6.77
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccc(Br)cc1,CHEMBL473515,8.05
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccoc1,CHEMBL462219,7.92
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccoc1,CHEMBL462572,6.77
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccco1,CHEMBL516663,6.49
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1,CHEMBL462573,6.25
+CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL562668,8.55
+Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NN4CCCCC4)ncnc32)cc1,CHEMBL496770,8.44
+Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1,CHEMBL524087,7.92
+Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(N4CCCCC4)ncnc32)cc1,CHEMBL496352,8.38
+Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1,CHEMBL522235,8.68
+CN1CCN(c2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL498411,8.23
+CN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,CHEMBL496555,7.62
+CCOC(=O)/C(=C/C=C/c1ccccc1)C(=O)Oc1c(C2SCCS2)ccc2c1C=CC(C)(C)O2,CHEMBL512509,5.86
+O=C1C2=Cc3ccccc3OC2CC/C1=C\c1ccccc1O,CHEMBL470820,5.31
+Cc1ccc(C(C)C)c2cc(Cc3ccccc3)c(=O)oc12,CHEMBL470224,5.56
+COc1ccccc1Cc1cc2c(C(C)C)ccc(C)c2oc1=O,CHEMBL470018,5.21
+COc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O,CHEMBL470017,4.91
+COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1,CHEMBL470016,5.21
+COc1ccccc1Cc1cc2c(OC)cccc2oc1=O,CHEMBL505327,5.02
+COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)cc1,CHEMBL471249,5.21
+COc1cccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c1,CHEMBL511304,5.39
+COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O,CHEMBL471248,6.13
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3O)cc12,CHEMBL470212,5.96
+COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12,CHEMBL513034,5.68
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3Cl)cc12,CHEMBL470602,6.01
+COc1cc(C)cc2oc(=O)c(Cc3ccc(C)cc3)cc12,CHEMBL470619,5.04
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3C)cc12,CHEMBL470618,5.93
+COc1cc(C)cc2oc(=O)c(Cc3ccccc3)cc12,CHEMBL470199,5.46
+COc1cccc2oc(=O)c(Cc3ccccc3)cc12,CHEMBL471247,4.72
+O=c1oc2ccc3ccccc3c2cc1Cc1ccccc1,CHEMBL513763,5.38
+CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306529,8.02
+CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306764,6.78
+CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL561013,8.04
+CCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL558801,6.46
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL564066,7.97
+CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL563390,5.98
+CCCn1cc(C(=O)c2cccc3ccc(C)cc23)c2ccccc21,CHEMBL551833,6.67
+CCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL561349,7.2
+CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL565042,8.92
+CCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL550949,6.32
+CCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21,CHEMBL564888,8.35
+CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL497811,5.98
+CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL557004,9.16
+CCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL561089,6.91
+CCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21,CHEMBL561090,8.3
+CCCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL562895,6.6
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL551351,7.35
+CCCn1c(C)c(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL563670,5.8
+CCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL552087,5.63
+CCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL552088,8.18
+CCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21,CHEMBL564407,6.69
+CCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21,CHEMBL563929,7.36
+CCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12,CHEMBL539479,7.59
+CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21,CHEMBL564901,8.89
+CCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21,CHEMBL564302,9.19
+CCCc1ccc(C(=O)c2c(C)n(CCC)c3ccccc23)c2ccccc12,CHEMBL565194,7.28
+CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL549603,9.34
+CCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL562350,7.15
+CCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL557627,7.48
+CCCCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21,CHEMBL564622,8.82
+CCCCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL539994,8.07
+CCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL561894,6.47
+CCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL564623,5.87
+CCCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12,CHEMBL552499,6.46
+CCCCCn1cc(C(=O)c2ccc(CCCC)c3ccccc23)c2ccccc21,CHEMBL558474,7.85
+CCCCc1ccc(C(=O)c2c(C)n(CCC)c3ccccc23)c2ccccc12,CHEMBL552150,6.83
+CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccccc23)c2ccccc21,CHEMBL540248,7.38
+CCCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL540759,8.34
+CCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL562704,6.66
+CCCCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL562549,7.54
+CCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21,CHEMBL550419,6.12
+CCCCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21,CHEMBL562489,7.55
+CCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL556101,5.42
+CCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL564543,6.42
+CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21,CHEMBL524822,5.86
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL563081,8.52
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CCC2)cc1,CHEMBL2448073,8.15
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CCCC2)cc1,CHEMBL564705,7.82
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CCCCC2)cc1,CHEMBL551963,7.89
+O=C(NN1CCCCC1)c1cc(-c2ccc(C3CC3)cc2)n(-c2ccc(Cl)cc2Cl)n1,CHEMBL556686,7.8
+COc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL552050,8.52
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-c1ccc(C2CC2)cc1,CHEMBL551966,7.47
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2)c1-c1ccc(C2CC2)cc1,CHEMBL564132,6.72
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL559655,8.4
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL561914,8.1
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2F)c1-c1ccc(C2CC2)cc1,CHEMBL564570,7.96
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccc(C2CC2)cc1,CHEMBL551971,7.18
+Cc1c(C(=O)NN2CCCC2)nn(-c2ccccc2)c1-c1ccc(C2CC2)cc1,CHEMBL559855,6.92
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2F)c1-c1ccc(C2CC2)cc1,CHEMBL560370,7.85
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(C2CC2)cc1,CHEMBL552155,7.1
+CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL550982,8.4
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Br)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL562841,8.52
+CCc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1,CHEMBL560450,8.4
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNS(N)(=O)=O,CHEMBL568489,5.4
+CCCCC/C=C\C/C=C\CCCCCCCCNS(N)(=O)=O,CHEMBL570988,5.19
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNS(=O)(=O)NCCC,CHEMBL583108,5.63
+CCCCC/C=C\C/C=C\CCCCCCCCNS(=O)(=O)NCCC,CHEMBL569658,5.14
+CCCCCCCC/C=C\CCCCCCCCNS(N)(=O)=O,CHEMBL570566,5.72
+CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL374746,5.22
+Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL584261,8.28
+Cc1c(-c2ncn(C(C)C)c2CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL567811,7.72
+CCc1c(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)ncn1C(C)C,CHEMBL568007,7.42
+Cc1c(-c2ncn(C(C)C)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL577040,8.24
+Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL584889,8.74
+Cc1c(-c2cn(Cc3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL576230,7.85
+Cc1c(-c2cn(C3CCOCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL577477,7.6
+CCn1cnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1,CHEMBL565733,7.7
+Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL578576,8.31
+Cc1c(-c2cn(C(C)(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL576618,7.85
+Cc1c(-c2cn(C3CCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL579196,8.0
+Cc1c(-c2cn(C3CCCCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL585095,8.07
+Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL578969,8.96
+Cc1c(-c2cn(C3CC3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL583229,8.13
+Cc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL568221,7.72
+Cc1c(-c2nc[nH]c2C(C)C)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1,CHEMBL568229,7.51
+Cc1c(-c2nc(C(C)C)c[nH]2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL568230,8.02
+Cc1c(-c2c[nH]c(C(C)C)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL565742,8.14
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214374,5.74
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214375,4.65
+CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214434,5.0
+CC1(C)Oc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214436,4.1
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214500,4.82
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214501,4.0
+CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214503,4.0
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214559,7.64
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214560,6.26
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1,CHEMBL1213721,5.38
+CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1,CHEMBL1214644,5.36
+CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)cc1,CHEMBL1213722,6.19
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL1259227,6.48
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL947,8.66
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259243,8.91
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259244,8.75
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)SCCS1,CHEMBL1259000,8.18
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259001,8.95
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259018,9.08
+CC1(C)Oc2cc(C3(CCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259019,7.88
+CC1(C)Oc2cc(C3(CCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259037,8.99
+CC1(C)Oc2cc(C3(CCCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259038,8.3
+CC1(C)Oc2cc(C3(CCCCC#N)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259056,8.5
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259057,8.63
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)SCCS1,CHEMBL1259075,8.35
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)CCC1,CHEMBL1259076,9.8
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1259091,8.86
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1259092,8.82
+CCCCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277593,6.25
+CCCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277592,5.84
+CCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL1277499,5.94
+CCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,CHEMBL498346,5.5
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL371214,6.17
+N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F,CHEMBL1354658,7.26
+N#Cc1c(C(F)(F)F)ccc2c1oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c12,CHEMBL1834522,5.72
+N#Cc1c(C(F)(F)F)ccc2c1oc1ccc(OS(=O)(=O)CCCC(F)(F)F)cc12,CHEMBL1834523,5.6
+N#Cc1c(C(F)(F)F)ccc2c1oc1cc(OS(=O)(=O)CCCC(F)(F)F)ccc12,CHEMBL1834524,5.97
+N#Cc1c(C(F)(F)F)ccc2c1oc1c(OS(=O)(=O)CCCC(F)(F)F)cccc12,CHEMBL1834525,5.64
+N#Cc1c(C(F)(F)F)ccc2c1Oc1c(cccc1OS(=O)(=O)CCCC(F)(F)F)C2,CHEMBL1834526,4.84
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2,CHEMBL2010907,6.28
+CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCOC2,CHEMBL2010905,6.72
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2,CHEMBL2010902,7.33
+O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CC(F)(F)C1,CHEMBL2010900,7.18
+CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2,CHEMBL2010898,6.52
+CC1(C)Oc2cc(C(=O)c3ccccc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064052,6.01
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4o3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064055,5.87
+CC1(C)Oc2cc(C(=O)c3coc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064056,5.54
+CC1(C)Oc2cc(C(=O)c3ccsc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064058,5.98
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4s3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064059,6.81
+CC1(C)Oc2cc(C(=O)c3csc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064060,5.9
+CC1(C)Oc2cc(C(=O)c3cccc(F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064067,6.34
+CC1(C)Oc2cc(C(=O)c3cccc(C(F)(F)F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064068,7.21
+CC1(C)Oc2cc(C(=O)c3c[nH]c4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064069,5.98
+Cn1cc(C(=O)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)c2ccccc21,CHEMBL2064070,5.49
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@H]2Cc1ccccc1,CHEMBL2163929,6.92
+CC(C)[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163927,6.06
+CC(C)[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163926,7.02
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163580,6.19
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163579,6.62
+CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163578,6.04
+CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163577,6.9
+C[C@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163574,5.28
+C[C@@H]1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163573,5.45
+CCC1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163948,6.23
+CCC1COc2c(F)c(F)cc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163947,5.74
+CCC1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163946,6.34
+CC1(C)COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163945,6.56
+CC(C)C1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163944,6.44
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163943,6.32
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163942,7.0
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1,CHEMBL2163941,6.91
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163940,6.32
+CCCC1COc2ccc(C)c3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163939,6.06
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(C)(CC(C)(C6)C4)C5)cn1c23,CHEMBL2163938,6.32
+CCCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL2163937,6.62
+CCCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163935,7.87
+CCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23,CHEMBL2163933,5.79
+CCC1COc2cccc3c(=O)c(C(=O)Nc4ccncc4)cn1c23,CHEMBL2163932,5.86
+CCC1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23,CHEMBL2163930,6.37
+CCC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23,CHEMBL1814463,6.14
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCCC4)cn1c23,CHEMBL2163964,6.3
+CCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163963,6.01
+CC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23,CHEMBL2163960,5.58
+Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3C(c1ccccc1)CO2,CHEMBL2163958,5.8
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC56CC7CC(CC(C7)C5)C6)cn2c34)cc1,CHEMBL2163957,5.38
+Cc1ccc(C2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1,CHEMBL2163956,5.34
+CC1Oc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn(c23)C1c1ccccc1,CHEMBL2163954,5.58
+CC1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)C1c1ccccc1,CHEMBL2163953,5.45
+CC12CC3CC(C)(C1)CC(NC(=O)c1cn4c5c(cccc5c1=O)OCC4c1ccccc1)(C3)C2,CHEMBL2163952,6.26
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163951,6.17
+O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163950,6.43
+O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163949,5.94
+O=C(NC1CCCC1)c1cn2c3c(cccc3c1=O)OCC2c1ccccc1,CHEMBL2163965,6.82
+O=S(=O)(F)CCCCOc1ccc(OCc2ccccc2)cc1,CHEMBL2180822,6.98
+O=S(=O)(F)CCCCCc1ccc(O)cc1,CHEMBL2180821,6.72
+O=S(=O)(F)CCCCCCCc1ccc(O)cc1,CHEMBL2180818,6.79
+O=S(=O)(F)CCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL2180817,6.93
+O=S(=O)(F)CCCCCCCc1cccc(OCc2ccccc2)c1,CHEMBL2180831,6.47
+O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCOC2)c1c(F)cccc1C(F)(F)F,CHEMBL2205593,4.87
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1OC(F)(F)F,CHEMBL2205616,4.65
+O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1ccccc1C(F)(F)F,CHEMBL2205615,4.82
+FCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2237756,6.38
+OCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2237755,6.79
+CCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2237753,6.82
+COC(=O)Cn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2237750,6.61
+Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nnn2Cc2ccccc2)cc1,CHEMBL2237749,6.73
+ClCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237748,7.1
+FCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237747,7.1
+OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237746,6.18
+Clc1ccc(-c2nn(Cc3ccccc3)nc2-c2ccc(Cl)cc2Cl)cc1,CHEMBL2237745,6.64
+COC(=O)CCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237742,5.63
+N#CCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237741,6.63
+COC(=O)Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1,CHEMBL2237740,6.07
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccccc3)nc12,CHEMBL2316262,6.25
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12,CHEMBL2316261,6.07
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc21,CHEMBL2316259,7.28
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc21,CHEMBL2316284,7.78
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21,CHEMBL2316283,7.17
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21,CHEMBL2316282,7.01
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc21,CHEMBL2316281,5.83
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21,CHEMBL2316280,6.74
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21,CHEMBL2316279,6.73
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21,CHEMBL2316274,5.27
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316273,5.28
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21,CHEMBL2316272,5.25
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C(C)(C)C)nn(C)c21,CHEMBL2316271,5.46
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21,CHEMBL2316269,5.57
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(CC)nn(C)c21,CHEMBL2316268,5.95
+CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21,CHEMBL2316264,5.99
+CCCCCn1cc(C(=O)NC(C)CCC(C)C)c(=O)c2c(C)nn(C)c21,CHEMBL2316301,5.65
+CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316300,5.49
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21,CHEMBL2316299,6.08
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316298,5.79
+CCCCCn1cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316297,6.12
+CCCCCn1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316296,5.32
+CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316295,5.98
+Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1,CHEMBL2316292,5.34
+CCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316291,5.49
+CCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316287,6.08
+CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316286,5.81
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21,CHEMBL2316285,5.85
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(O)ccc21,CHEMBL2348476,7.05
+COc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348475,6.29
+Cc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348474,7.21
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(CO)ccc21,CHEMBL2348473,8.68
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(CO)=CC[C@H]21,CHEMBL2348472,8.14
+CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348471,7.78
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CCO)CC[C@H]21,CHEMBL2348470,7.39
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CC=O)CC[C@H]21,CHEMBL2348469,7.76
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CO)CC[C@H]21,CHEMBL2348468,7.52
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CCO)CC[C@H]21,CHEMBL2348467,8.07
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC=O)CC[C@H]21,CHEMBL2348466,7.88
+CO/C=C\[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348465,7.51
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC#N)CC[C@H]21,CHEMBL2348464,7.31
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CI)CC[C@H]21,CHEMBL2348463,6.62
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21,CHEMBL2348462,8.31
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL2346682,6.83
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2348461,7.62
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](C=O)CC[C@H]21,CHEMBL2348460,7.32
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](C=O)CC[C@H]21,CHEMBL2348459,7.28
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL2348458,6.76
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381785,6.05
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12,CHEMBL2381784,6.12
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381812,6.17
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381811,6.19
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12,CHEMBL2381810,6.14
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12,CHEMBL2381809,6.82
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381808,6.66
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(CC)cc12,CHEMBL2381807,6.32
+CCCCCn1cc(C(=O)NC2CCC(C)CC2)c(=O)n2nc(C)cc12,CHEMBL2381806,5.59
+CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12,CHEMBL2381805,5.43
+CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12,CHEMBL2381804,5.84
+CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381803,6.19
+CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12,CHEMBL2381802,5.8
+Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL2381801,7.82
+CCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21,CHEMBL2441475,7.89
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccccn1)N1CCCCC1,CHEMBL2441474,6.39
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1cccnc1)N1CCCCC1,CHEMBL2441473,5.99
+O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccncc1)N1CCCCC1,CHEMBL2441472,6.41
+CN(C)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441469,5.62
+COC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441468,5.73
+O=C(c1ccc2c(c1)c1ccccc1n2CC1CCOCC1)N1CCCCC1,CHEMBL2441467,7.71
+COCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441466,5.84
+CS(=O)(=O)NCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441464,5.83
+O=C(OCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21)N1CCS(=O)(=O)CC1,CHEMBL2441463,5.65
+O=C(c1ccc2c(c1)c1ccccc1n2CCCN1CCS(=O)(=O)CC1)N1CCCCC1,CHEMBL2441462,5.62
+O=C(c1ccc2c(c1)c1ccccc1n2CCCCl)N1CCCCC1,CHEMBL2441459,6.91
+O=C(c1ccc2c(c1)c1ccccc1n2CCCl)N1CCCCC1,CHEMBL2441458,5.63
+CCOC(=O)CCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441457,5.3
+CCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441456,7.2
+CCCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441455,6.03
+CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441454,6.62
+CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441453,6.22
+CCCCCn1c2ccccc2c2cc(C(=O)NCC(C)(C)C)ncc21,CHEMBL2441452,7.36
+CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21,CHEMBL2441451,6.45
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ncc21,CHEMBL2441450,6.87
+CCCCCn1c2ccccc2c2cc(C(=O)OCC)ncc21,CHEMBL2441449,5.73
+CCCCCn1c2ccccc2c2cc(CN3CCN(C)CC3)ccc21,CHEMBL2441447,6.61
+CCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21,CHEMBL2441446,6.91
+CCCCCn1c2ccccc2c2cc(C(=S)N3CCCCC3)ccc21,CHEMBL2441445,7.39
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21,CHEMBL2441266,5.82
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCS(=O)(=O)CC3)ccc21,CHEMBL2441265,6.17
+CCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21,CHEMBL2441264,5.48
+CCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21,CHEMBL2441263,6.54
+CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21,CHEMBL2441262,6.17
+CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccncc3)ccc21,CHEMBL2441261,6.97
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCNCC3)ccc21,CHEMBL2441260,6.55
+CCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21,CHEMBL2441257,5.84
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21,CHEMBL2441256,6.91
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCOCC3)ccc21,CHEMBL2441255,7.22
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21,CHEMBL2441253,6.36
+CCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21,CHEMBL2441252,6.98
+CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21,CHEMBL2441251,7.11
+CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104354,7.57
+CCCCOC(=O)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104356,8.8
+CCCCOC(=O)C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL3104362,9.15
+CCCCOC(=O)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104358,9.22
+CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104360,9.52
+Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL381689,6.36
+O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12,CHEMBL3221197,5.7
+O=C1N2CCCCSC2=NC1(c1ccccc1)c1ccccc1,CHEMBL3220952,5.4
+O=C1N=C2SCCCCN2C1(c1ccccc1)c1ccccc1,CHEMBL3220951,4.67
+O=C1N2CCCSC2=NC1(c1ccccc1)c1ccccc1,CHEMBL3220950,5.11
+O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N=C2SCCCCN12,CHEMBL3221202,6.14
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCCN12,CHEMBL3221201,5.6
+O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)N=C2SCCCCN12,CHEMBL3221199,5.61
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCCN12,CHEMBL3221198,6.09
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12,CHEMBL3221190,6.26
+O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCN12,CHEMBL3221188,5.08
+O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCN12,CHEMBL3221187,5.37
+O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCN12,CHEMBL3221186,5.18
+O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCCN12,CHEMBL3221196,5.44
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(OO)C[C@@H]21,CHEMBL3233404,8.92
+CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2,CHEMBL2111116,8.54
+CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21,CHEMBL408430,6.55
+CC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21,CHEMBL495528,5.59
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCOC(=O)C[C@@H]21,CHEMBL3265175,7.0
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)OC[C@@H]21,CHEMBL3265176,8.34
+C[C@H](CO)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1,CHEMBL3398548,6.125
+O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccc(I)cc1)NCCO,CHEMBL3398547,6.145
+O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1)NCCO,CHEMBL3398546,6.13
+CC1(C)Oc2cc(C34CC5CC(CC(C(N)=O)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416120,6.53
+COC(=O)NC12CC3CC(C1)CC(c1cc(O)c4c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]41)(C3)C2,CHEMBL3416121,7.54
+CC1(C)Oc2cc(C34CC5CC(CC(C#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416122,7.34
+CC1(C)Oc2cc(C34CC5CC(CC(N=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416124,7.32
+CC1(C)Oc2cc(C34CC5CC(CC([N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416125,7.73
+CC1(C)Oc2cc(C34CC5CC(CC(CC#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416126,8.59
+CC1(C)Oc2cc(C34CC5CC(CC(CN=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416128,8.52
+CC1(C)Oc2cc(C34CC5CC(CC(C[N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416129,8.36
+CCCCCCC(C)(C)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL3605054,8.59
+C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O,CHEMBL3810140,6.07
diff --git a/chembl_200/CHEMBL3594.csv b/chembl_200/CHEMBL3594.csv
new file mode 100644
index 0000000000000000000000000000000000000000..cca8d8b94a143e53811724d6c3f0865a65c2dd1a
--- /dev/null
+++ b/chembl_200/CHEMBL3594.csv
@@ -0,0 +1,2532 @@
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,4.8
+NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,CHEMBL17,7.306
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL218490,7.28
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL268439,7.42
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,CHEMBL77517,7.62
+Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL6724,6.57
+Nc1nnc(S(N)(=O)=O)s1,CHEMBL265674,7.39
+Nc1cccc(S(N)(=O)=O)c1,CHEMBL6852,6.62
+Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL268177,6.55
+Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL7092,6.58
+Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL6853,6.61
+NS(=O)(=O)c1ccc(CO)cc1,CHEMBL6919,7.68
+Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL269122,7.47
+CCOc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL18,7.457999999999999
+CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL220491,7.412000000000001
+NS(=O)(=O)c1cccc2cccnc12,CHEMBL268809,7.49
+NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL6784,7.66
+Nc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1,CHEMBL6946,7.7
+Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL7146,7.62
+NCc1ccc(S(N)(=O)=O)cc1,CHEMBL419,6.99
+NNc1ccc(S(N)(=O)=O)cc1,CHEMBL7204,6.533
+NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL6685,7.85
+NS(=O)(=O)c1cccc2ccccc12,CHEMBL6648,7.52
+Nc1ccccc1S(N)(=O)=O,CHEMBL6705,7.48
+Cn1nc(S(N)(=O)=O)sc1=N,CHEMBL6753,7.52
+Nc1ccc(S(N)(=O)=O)cc1,CHEMBL21,6.547999999999999
+Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL6633,7.8
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL69149,7.54
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL51668,7.77
+NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]cc(Cl)c23)cc1,CHEMBL71000,7.62
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL122708,7.52
+Nc1c(Br)cc(S(N)(=O)=O)cc1Br,CHEMBL306195,7.17
+Nc1c(I)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL68506,7.39
+Nc1c(F)cc(S(N)(=O)=O)cc1Cl,CHEMBL70873,7.92
+Nc1c(F)cc(S(N)(=O)=O)cc1I,CHEMBL69813,7.47
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL68639,7.34
+Nc1c(Br)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL69229,7.41
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl,CHEMBL70020,7.57
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL302706,7.62
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL304322,6.67
+Nc1c(Cl)cc(S(N)(=O)=O)cc1I,CHEMBL68605,7.2
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL23435,7.15
+Nc1c(I)cc(S(N)(=O)=O)cc1I,CHEMBL67755,7.07
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL69347,6.69
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,7.41
+Nc1c(Cl)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL305488,7.64
+Nc1c(Br)cc(S(N)(=O)=O)cc1I,CHEMBL430600,7.07
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1I,CHEMBL441054,6.68
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL307698,7.34
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL304757,7.57
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL308459,6.71
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL22540,7.11
+Nc1c(Cl)cc(S(N)(=O)=O)cc1Br,CHEMBL430810,7.48
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1F,CHEMBL278603,7.1
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I,CHEMBL308677,7.68
+Nc1c(F)cc(S(N)(=O)=O)cc1Br,CHEMBL303648,7.16
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL282021,7.12
+Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br,CHEMBL70524,7.33
+NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F,CHEMBL75747,8.02
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL306118,8.26
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL76563,7.82
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL265534,8.07
+NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1,CHEMBL76956,9.1
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)cc(F)c1F,CHEMBL76607,7.98
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1,CHEMBL75620,8.32
+NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL308631,8.02
+NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL75855,7.9
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL305726,8.15
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1,CHEMBL309592,7.8
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL77359,8.49
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1,CHEMBL76626,8.12
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1,CHEMBL307939,8.37
+NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,CHEMBL74491,7.62
+NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1,CHEMBL77284,8.14
+CCCCCOS(N)(=O)=O,CHEMBL358643,6.9
+C#CCCOS(N)(=O)=O,CHEMBL152967,6.2
+CCCCCCCCCCCOS(N)(=O)=O,CHEMBL356681,7.77
+CCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152907,7.82
+NS(=O)(=O)OCc1ccccc1,CHEMBL440912,7.85
+CCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL152962,7.66
+C[C@]12CCC3C(C(=O)C=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL422864,7.12
+CCCCCCCCCCCCOS(N)(=O)=O,CHEMBL153027,8.05
+Cc1ccc(COS(N)(=O)=O)cc1,CHEMBL154865,7.89
+C=CCCOS(N)(=O)=O,CHEMBL346884,6.41
+CCCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL450930,6.92
+NS(=O)(=O)OCC(F)(F)F,CHEMBL153068,6.34
+NS(=O)(=O)OCCc1ccccc1,CHEMBL436261,7.92
+NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F,CHEMBL357533,6.55
+C[C@]12CCC3C(C1CCC2=O)[C@H](O)C=C1CC(OS(N)(=O)=O)CC[C@@]13C,CHEMBL345776,7.19
+CC1(C)OCC(C2OC3OC(C)(C)OC3[C@H]2OS(N)(=O)=O)O1,CHEMBL302593,7.41
+NS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl,CHEMBL303942,7.43
+CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1,CHEMBL68257,7.37
+NS(=O)(=O)OCCOc1ccc(-n2ccnc2)cc1,CHEMBL544763,7.59
+NS(=O)(=O)Oc1ccc(I)cc1,CHEMBL24120,7.64
+NS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1,CHEMBL69322,7.29
+CC(C)(C)c1ccc(OS(N)(=O)=O)cc1,CHEMBL69948,7.48
+NS(=O)(=O)Oc1ccc2ccccc2c1,CHEMBL67749,7.4
+NS(=O)(=O)Oc1ccccc1,CHEMBL24259,7.2
+NS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F,CHEMBL68536,7.33
+NS(=O)(=O)Oc1ccc(Cl)cc1,CHEMBL23350,7.74
+COc1ccc(OS(N)(=O)=O)cc1,CHEMBL71872,7.47
+CC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL68590,7.35
+CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2COS(N)(=O)=O,CHEMBL71549,7.49
+N#Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24119,7.39
+Cc1ccc(OS(N)(=O)=O)cc1,CHEMBL24210,7.23
+NS(=O)(=O)Oc1ccc(C(F)(F)F)cc1,CHEMBL303601,7.27
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL221802,7.24
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,CHEMBL220493,7.49
+C[C@]12CCC3C(CC=C4CC(OS(N)(=O)=O)CC[C@@]43C)C1CCC2=O,CHEMBL71371,7.36
+NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL23258,7.44
+NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1,CHEMBL417287,7.3
+NS(=O)(=O)Oc1ccc(Br)cc1,CHEMBL283121,7.72
+NS(=O)(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CHEMBL71873,7.41
+NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL191109,7.54
+NS(=O)(=O)c1ccc(CNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL372888,7.59
+NS(=O)(=O)c1ccc(CCNC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1,CHEMBL186522,7.62
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(F)c1,CHEMBL187974,7.52
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Cl)c1,CHEMBL366082,7.49
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(Br)c1,CHEMBL187919,7.46
+NS(=O)(=O)c1ccc(NC(=S)/N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c(I)c1,CHEMBL187947,7.51
+NS(=O)(=O)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL188002,7.47
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)cc1,CHEMBL360604,7.7
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)s1,CHEMBL361496,7.8
+Cc1ncc(CO)c(CNc2nc(NCCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL193008,6.19
+CN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL190023,8.82
+CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL192834,8.89
+CN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1,CHEMBL189523,8.82
+CCN(CC)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL191576,8.23
+CCN(CC)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL193178,8.12
+CCN(CC)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)n1,CHEMBL440026,8.2
+CCCN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190538,7.98
+CCCN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL190907,7.9
+CCCN(C)c1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCC)n1,CHEMBL189681,7.86
+NS(=O)(=O)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL372442,6.6
+NS(=O)(=O)c1ccc(CNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL366276,6.71
+NS(=O)(=O)c1ccc(CCNc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,CHEMBL190464,6.95
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,9.0
+COC(=O)CNc1nc(Cl)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190733,8.85
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL190024,8.845
+Nc1nc(N)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL363874,8.92
+Nc1nc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364754,9.0
+NN=c1nc(NN)[nH]c(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190550,8.82
+NN=c1nc(NN)[nH]c(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190721,8.85
+NN=c1nc(NN)[nH]c(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371403,8.89
+CCNc1nc(NCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL191380,8.6
+CCNc1nc(NCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL364919,8.54
+CC(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL366223,7.89
+CC(C)Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL191884,7.8
+CC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C)n1,CHEMBL189527,7.74
+CCCNc1nc(NCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL193513,7.25
+CCCNc1nc(NCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL434909,7.11
+CCCNc1nc(NCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL192950,6.9
+CCCCNc1nc(NCCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190531,6.73
+CCCCNc1nc(NCCCC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL371632,6.68
+CCCCNc1nc(NCCCC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190056,6.69
+CCN(CC)CCNc1nc(NCCN(CC)CC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL190278,6.76
+NS(=O)(=O)c1ccc(Nc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL190329,6.54
+NS(=O)(=O)c1ccc(CNc2nc(NCCN3CCNCC3)nc(NCCN3CCNCC3)n2)cc1,CHEMBL426625,6.56
+Cc1ncc(CO)c(CNc2nc(NCc3c(CO)cnc(C)c3O)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1O,CHEMBL365380,6.41
+Cc1ncc(CO)c(CNc2nc(NCc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)n2)c1O,CHEMBL192670,6.37
+CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]c1=S,CHEMBL197042,4.01
+CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]c1=S,CHEMBL370105,4.94
+Cc1ccc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[nH]c2=S)cc1,CHEMBL196284,4.22
+Nc1n[nH]c(=S)s1,CHEMBL372507,5.03
+CC(=O)Nc1n[nH]c(=S)s1,CHEMBL382111,5.02
+CCCn1c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]c1=S,CHEMBL196544,5.01
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL364081,8.17
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL362989,8.25
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195509,8.32
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195147,8.17
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193964,8.27
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1,CHEMBL195811,8.32
+CN1CCN(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC1,CHEMBL195194,8.3
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1,CHEMBL195978,8.19
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1,CHEMBL365344,8.3
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCc3ccccn3)cc2)cc1,CHEMBL196435,8.28
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL196198,8.34
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL196285,8.21
+NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL196608,7.43
+NS(=O)(=O)c1ccc(C/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL197104,7.49
+NS(=O)(=O)c1ccc(CC/N=C/c2coc3ccccc3c2=O)cc1,CHEMBL373184,7.59
+Cc1ccc2occ(/C=N/c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL381243,7.32
+Cc1ccc2occ(/C=N/Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL193907,7.35
+Cc1ccc2occ(/C=N/CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL197031,7.43
+NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1,CHEMBL195615,7.68
+Cc1ccc2occ(/C=N/c3nccc(Nc4ccc(S(N)(=O)=O)cc4)n3)c(=O)c2c1,CHEMBL372497,7.62
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(F)(F)F)cc1/N=C/c1coc2ccccc2c1=O,CHEMBL193924,7.52
+Cc1ccc2occ(/C=N/c3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)c(=O)c2c1,CHEMBL196697,7.49
+O=C(O)O,CHEMBL1161632,5.07
+N#CO,CHEMBL1161700,4.4
+C#N,CHEMBL183419,5.4
+NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL361827,7.82
+NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL180323,6.76
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL179136,8.1
+CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL368235,8.08
+CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL367844,8.07
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL369179,8.49
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL369045,8.07
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,CHEMBL367378,8.27
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL176283,8.1
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1,CHEMBL178948,8.15
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,CHEMBL175881,7.62
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2c3ccccc3-c3ccccc32)cc1,CHEMBL179021,7.89
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL359546,7.46
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL175486,7.49
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL175866,8.24
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL180111,8.21
+NS(=O)(=O)c1ccc(C(=O)NNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL179047,8.27
+COC(=O)c1ccccc1S(N)(=O)=O,CHEMBL148680,6.17
+NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL361191,6.26
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1,CHEMBL179137,7.12
+Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccccc1S(N)(=O)=O,CHEMBL179682,7.08
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2S(N)(=O)=O)cc1,CHEMBL175503,7.15
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(F)cc1,CHEMBL175432,7.19
+NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL180012,7.14
+NNc1ccc(S(N)(=O)=O)cc1F,CHEMBL176180,6.87
+NNc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL176203,6.83
+CC(=O)NNc1ccccc1S(N)(=O)=O,CHEMBL175652,6.76
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,CHEMBL73962,7.342
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(N=C=S)cc2)s1,CHEMBL187034,7.64
+CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL362499,7.89
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)s1,CHEMBL187259,8.0
+CN1CCN(NC(=S)Nc2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)CC1,CHEMBL363931,8.49
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1,CHEMBL187372,8.52
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)s1,CHEMBL365507,7.72
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)s1,CHEMBL427329,7.74
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1,CHEMBL445650,7.7
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(O)C(O)c3ccc([N+](=O)[O-])cc3)cc2)s1,CHEMBL185170,7.74
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCCN3CCN(CCCNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4)CC3)cc2)s1,CHEMBL435094,8.34
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CHEMBL366069,9.82
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187901,6.91
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1,CHEMBL187274,6.86
+NS(=O)(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL183153,6.85
+NS(=O)(=O)c1ccc(CNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL185473,6.44
+NS(=O)(=O)c1ccc(CCNc2nc(=O)[nH]c(=O)[nH]2)cc1,CHEMBL359997,6.26
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,6.82
+CNc1nc(NC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186504,8.89
+CNc1nc(NC)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL184107,8.96
+COc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL365860,6.82
+COc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL185549,6.81
+COc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OC)n1,CHEMBL184923,6.79
+CCOc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL363543,9.92
+CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL183945,9.47
+CCOc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(OCC)n1,CHEMBL366086,7.92
+CC(COS(N)(=O)=O)COS(N)(=O)=O,CHEMBL181357,5.69
+NS(=O)(=O)OCc1ccc(COS(N)(=O)=O)cc1,CHEMBL360714,7.21
+CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183701,8.02
+Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1,CHEMBL183240,7.15
+NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1,CHEMBL182429,7.0
+C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)C5CC[C@]43C)C12,CHEMBL2113026,7.55
+NS(=O)(=O)OCCCCOS(N)(=O)=O,CHEMBL353258,4.27
+NS(=O)(=O)OCCCCCCOS(N)(=O)=O,CHEMBL182276,7.88
+NS(=O)(=O)OCCCCCCCOS(N)(=O)=O,CHEMBL182440,8.0
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,8.4
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,8.15
+NS(=O)(=O)OCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL361421,7.49
+NS(=O)(=O)OCCCCCCCCCCCCCCCCOS(N)(=O)=O,CHEMBL181753,6.28
+CC(OS(N)(=O)=O)C(C)OS(N)(=O)=O,CHEMBL170139,5.88
+NS(=O)(=O)Cc1noc2ccccc12,CHEMBL750,8.292
+CN1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL183763,6.63
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1,CHEMBL183775,6.74
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL182637,6.62
+CC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182476,6.71
+NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL182523,6.61
+NS(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,CHEMBL180943,6.74
+CC1CCN(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL182185,7.05
+NS(=O)(=O)c1ccc(NC(=O)CCCN2CCOCC2)cc1,CHEMBL360041,6.61
+NS(=O)(=O)c1ccc(NC(=O)CCCCN2CCOCC2)cc1,CHEMBL183450,6.79
+NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1,CHEMBL182634,7.66
+CC1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL183442,7.46
+NS(=O)(=O)c1nnc(NC(=O)CN2CCN(Cc3ccccc3)CC2)s1,CHEMBL183705,7.17
+CN1CCN(CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL179897,7.51
+CN1CCN(CCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1,CHEMBL360097,7.48
+CC1(C)OB(c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL189113,7.28
+CC1(C)OB(c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL193199,7.08
+CC1(C)OB(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL373325,7.38
+CC1(C)OB(c2ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)OC1(C)C,CHEMBL189729,8.12
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,7.09
+CC1(C)OB(c2ccc(OS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190448,7.1
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)OC1(C)C,CHEMBL190392,7.1
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Br)cc2)OC1(C)C,CHEMBL190314,7.05
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3Cl)cc2)OC1(C)C,CHEMBL191799,7.09
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3F)cc2)OC1(C)C,CHEMBL193191,8.0
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3I)cc2)OC1(C)C,CHEMBL192997,8.03
+CC1(C)OB(c2ccc(NC(=S)Nc3cccc(S(N)(=O)=O)c3)cc2)OC1(C)C,CHEMBL190622,7.09
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)OC1(C)C,CHEMBL364903,7.08
+CC1(C)OB(c2ccc(NC(=S)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)OC1(C)C,CHEMBL189065,8.14
+CC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL687,6.87
+NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1,CHEMBL417648,6.95
+CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL278395,6.97
+CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23591,7.08
+CC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23417,6.86
+CCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL283097,7.1
+CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL23285,6.87
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL23559,7.14
+CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL193648,6.95
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL23796,7.28
+CC(=O)Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL193825,7.43
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1,CHEMBL23238,7.4
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1,CHEMBL194350,7.59
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1,CHEMBL254833,7.68
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1,CHEMBL22374,7.74
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL365558,8.52
+NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1,CHEMBL370526,7.85
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl,CHEMBL363168,6.84
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,CHEMBL194634,7.68
+NS(=O)(=O)c1nnc(NS(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL382075,7.8
+NS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1,CHEMBL197412,7.89
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL195946,7.82
+CC1=CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL195947,7.89
+CCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL539940,6.44
+O=S1(=O)C=Cc2ccc(S(=O)(=O)NCC3CC3)cc21,CHEMBL196433,7.12
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2,CHEMBL194528,8.0
+CCCCOC1CS(=O)(=O)c2cc(S(N)(=O)=O)ccc21,CHEMBL371155,8.51
+NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1,CHEMBL196202,8.55
+NS(=O)(=O)c1ccc2c(c1)C=CS2(=O)=O,CHEMBL195035,7.89
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL196871,7.54
+CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL309431,7.8
+CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL196677,7.51
+NS(=O)(=O)C(F)(F)c1ccccc1,CHEMBL371870,5.07
+NS(=O)(=O)Cc1ccccc1,CHEMBL369953,5.03
+Cc1ccc(C(F)(F)S(N)(=O)=O)cc1,CHEMBL199464,6.6
+NS(=O)(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1,CHEMBL370159,5.62
+NS(=O)(=O)C(F)(F)c1ccccc1Br,CHEMBL199493,5.03
+NS(=O)(=O)C(F)(F)c1cccc(Br)c1,CHEMBL200673,5.83
+NS(=O)(=O)C(F)(F)c1ccc(Br)cc1,CHEMBL370854,5.11
+Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12,CHEMBL198913,6.62
+Cc1cc(=O)oc2cc(C(F)(F)S(N)(=O)=O)ccc12,CHEMBL198891,6.71
+C[C@]12CC[C@@H]3c4ccc(CS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628081,6.68
+C[C@]12CC[C@@H]3c4ccc(C(F)(F)S(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL1628004,5.76
+CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208532,8.43
+CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL208531,8.47
+CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL205743,5.63
+CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL204740,5.7
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,CHEMBL184361,7.48
+NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,CHEMBL204990,7.52
+CCCC(CCC)C(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL381730,6.55
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL205867,8.475
+NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1,CHEMBL206830,6.97
+CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL204941,7.43
+CC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1,CHEMBL184674,6.54
+CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21,CHEMBL359768,6.71
+O=C(NO)Nc1ccc(Cl)c(Cl)c1,CHEMBL213348,6.27
+NC(=O)NO,CHEMBL467,4.64
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)NN)cc1Cl,CHEMBL215276,5.47
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)NN)cc1Cl,CHEMBL387480,5.84
+COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL380158,5.79
+COC(=O)CS(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O,CHEMBL212811,5.74
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)C(C)C(=O)O)cc1Cl,CHEMBL385073,5.3
+Cc1cc(S(N)(=O)=O)c(S(=O)(=O)CC(=O)O)cc1Cl,CHEMBL215355,5.26
+CCOC(=O)c1cc(S(N)(=O)=O)c(S)cc1Cl,CHEMBL215990,7.25
+NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S,CHEMBL215291,7.39
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1S,CHEMBL386517,7.84
+NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(C(=O)N2CCCC2)cc1S(N)(=O)=O,CHEMBL214993,6.12
+NS(=O)(=O)c1cc2c(cc1S)NCNS2(=O)=O,CHEMBL215916,6.945
+NS(=O)(=O)c1cc2c(cc1SSc1cc3c(cc1S(N)(=O)=O)S(=O)(=O)NCN3)NCNS2(=O)=O,CHEMBL215776,6.11
+CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2,CHEMBL215917,6.86
+NS(=O)(=O)c1ccc(NC(=O)CCS)cc1,CHEMBL214201,7.19
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2F)c(F)c1,CHEMBL212944,7.1
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(F)c1,CHEMBL212440,7.82
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(Cl)c1,CHEMBL213777,7.14
+NS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1,CHEMBL373666,8.06
+NS(=O)(=O)c1ccc(CCNC(=O)CCSSCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL215936,7.15
+NS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1,CHEMBL215810,7.25
+NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL377107,7.74
+NS(=O)(=O)c1nnc(NC(=O)CCS)s1,CHEMBL377326,8.44
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCSSCCC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,CHEMBL436936,8.03
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCS,CHEMBL427654,8.49
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL418037,6.19
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1,CHEMBL386049,8.04
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL353498,6.14
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1,CHEMBL214745,8.05
+CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CHEMBL26,7.374
+NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL209732,7.11
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL425274,6.74
+CC(=O)OC[C@H]1O[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL383897,5.91
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL385152,6.35
+CC(=O)OC[C@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL387076,6.37
+C#CCOC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL217569,6.98
+C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL386542,6.95
+NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL216319,7.02
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL217359,6.94
+NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL217166,6.38
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL386318,6.99
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+NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL2113266,7.08
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+NS(=O)(=O)c1ccc(-n2cc(COC3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL223215,6.99
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+CC(NOCc1ccc(Cl)cc1)C(=O)NO,CHEMBL228229,5.04
+O=C(CNOCc1ccc(Cl)cc1)NO,CHEMBL227566,5.06
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+CCON(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,CHEMBL376841,5.05
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+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL234737,7.59
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL234735,7.89
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL234530,7.92
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+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL388671,8.42
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL388453,8.19
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+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,7.06
+NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,CHEMBL328560,7.37
+CC(=O)OC[C@H]1O[C@H](NS(N)(=O)=O)C=C[C@@H]1OC(C)=O,CHEMBL394471,8.05
+O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)Nc1n[nH]c(=S)s1,CHEMBL236146,5.9
+O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)Nc1n[nH]c(=S)s1,CHEMBL236145,5.14
+O=C(N/N=C1\C(=O)Nc2ccccc21)Nc1n[nH]c(=S)s1,CHEMBL392816,5.03
+CC(C)C/C=N/NC(=O)Nc1n[nH]c(=S)s1,CHEMBL235506,5.05
+O=C(N/N=C/c1ccco1)Nc1n[nH]c(=S)s1,CHEMBL235505,5.24
+O=C(N/N=C/c1cccnc1)Nc1n[nH]c(=S)s1,CHEMBL395370,5.3
+O=C(NN=C(c1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL235708,5.07
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+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(Br)cc1,CHEMBL235501,5.16
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(Cl)cc1,CHEMBL391990,5.07
+COc1ccc(/C(C)=N/NC(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL235913,4.7
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccc(O)cc1,CHEMBL235701,4.68
+C/C(=N\NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1,CHEMBL235692,5.13
+CN(C)c1ccccc1/C=N/NC(=O)Nc1n[nH]c(=S)s1,CHEMBL235485,5.47
+O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1n[nH]c(=S)s1,CHEMBL391326,5.0
+O=C(N/N=C/c1ccccc1[N+](=O)[O-])Nc1n[nH]c(=S)s1,CHEMBL235035,4.62
+O=C(N/N=C/c1ccc(F)cc1)Nc1n[nH]c(=S)s1,CHEMBL394750,5.12
+O=C(N/N=C/c1ccc(Br)cc1)Nc1n[nH]c(=S)s1,CHEMBL235474,4.66
+O=C(N/N=C/c1cccc(Br)c1)Nc1n[nH]c(=S)s1,CHEMBL235473,5.0
+O=C(N/N=C/c1ccccc1Cl)Nc1n[nH]c(=S)s1,CHEMBL394748,4.54
+COc1cc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)ccc1O,CHEMBL235471,4.59
+COc1ccc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL235236,4.62
+COc1cccc(/C=N/NC(=O)Nc2n[nH]c(=S)s2)c1,CHEMBL394938,5.15
+O=C(N/N=C/c1ccc(O)cc1)Nc1n[nH]c(=S)s1,CHEMBL235466,5.15
+O=C(N/N=C/c1ccccc1)Nc1n[nH]c(=S)s1,CHEMBL235465,4.64
+NNC(=O)Nc1n[nH]c(=S)s1,CHEMBL237422,5.03
+O=[As](O)(O)c1ccccc1,CHEMBL364571,4.26
+Oc1cc(F)cc(F)c1,CHEMBL259068,6.03
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,6.99
+NS(=O)(=O)c1ccc(-c2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1,CHEMBL409306,7.55
+NS(=O)(=O)c1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1,CHEMBL259682,8.27
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,CHEMBL411092,6.92
+COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL270335,8.08
+CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270334,7.07
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+CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL270994,7.0
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+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL269852,6.92
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL34016,8.11
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,6.99
+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)CC(=O)O)s1,CHEMBL432083,8.08
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+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)s1,CHEMBL34546,8.07
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL34526,8.09
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(=O)O)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)cc1,CHEMBL285436,8.14
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC(=O)O)c1,CHEMBL285962,8.1
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,6.38
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,7.44
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,7.64
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL256303,7.39
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL257832,8.15
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1[O],CHEMBL439243,7.52
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC(C)(C)N1[O],CHEMBL257192,6.66
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2Cl)CC(C)(C)N1[O],CHEMBL436648,7.85
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2F)CC(C)(C)N1[O],CHEMBL404221,7.66
+CC1(C)CC(NC(=S)Nc2cccc(S(N)(=O)=O)c2)CC(C)(C)N1[O],CHEMBL255710,6.88
+CC1(C)CC(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257386,7.41
+CC1(C)CC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL403152,7.46
+CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1[O],CHEMBL257163,7.39
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,4.15
+N#Cc1ccc(O)cc1,CHEMBL66381,4.25
+O=C(O)c1ccccc1O,CHEMBL424,4.1
+Oc1cc(F)ccc1F,CHEMBL261219,4.16
+Oc1ccc(O)cc1,CHEMBL537,4.49
+Oc1cccc(O)c1,CHEMBL24147,4.16
+NS(=O)(=O)c1ccc(CNC(=O)NC2CC2c2ccccc2)cc1,CHEMBL453731,5.74
+N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,CHEMBL508489,6.52
+NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL461600,6.54
+NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL461601,5.97
+NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL511186,6.54
+C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3,CHEMBL517746,5.56
+CC1CCN(N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCC(C)CC2)CC1,CHEMBL461791,7.05
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL461963,8.0
+NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1,CHEMBL461964,7.21
+COc1cc2c(cc1OC)C(c1ccccc1)N(S(N)(=O)=O)CC2,CHEMBL466841,5.07
+COc1cc2c(cc1OC)C(c1ccc(Br)cc1)N(S(N)(=O)=O)CC2,CHEMBL466842,5.09
+COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2,CHEMBL468729,5.12
+COc1cc2c(cc1OC)C(c1ccc(C#N)cc1)N(S(N)(=O)=O)CC2,CHEMBL468730,5.3
+COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(S(N)(=O)=O)CC2,CHEMBL511425,5.25
+COc1cc2c(cc1OC)C(c1ccc(C)cc1)N(S(N)(=O)=O)CC2,CHEMBL468106,5.17
+COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2,CHEMBL468105,5.19
+COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2,CHEMBL466647,6.32
+COc1cc2c(cc1OC)C(c1cccc(N)c1)N(S(N)(=O)=O)CC2,CHEMBL511554,5.09
+COc1cc2c(cc1OC)C(c1ccc(N)cc1)N(S(N)(=O)=O)CC2,CHEMBL469148,5.17
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498758,8.21
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL499111,8.12
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL504121,8.11
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL496880,8.1
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL484530,8.09
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL519447,8.07
+CC(=O)OC[C@H]1O[C@@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL517088,8.07
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL444912,8.03
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498757,8.02
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL525195,8.01
+CC(=O)OC[C@H]1O[C@@H](S(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL480302,8.0
+CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL470399,7.0
+CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H]1O,CHEMBL472077,7.0
+NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL498750,6.59
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,7.47
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,7.74
+Nc1ccc(S(O)(O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL456724,7.42
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL501130,7.62
+CC(=O)OC[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL505415,7.12
+COC(=O)[C@H]1O[C@@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL468346,7.64
+CC(C)[C@H](C(=O)NO)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL471537,8.48
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,8.19
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,7.12
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,7.38
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)s1,CHEMBL561947,7.9
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)s1,CHEMBL550815,6.65
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL568705,5.41
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL579226,5.385
+COC(=O)[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL584312,5.38
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573459,5.39
+CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL573460,5.39
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL569170,5.39
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL569412,5.38
+NS(=O)(=O)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL583958,5.4
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL570125,5.38
+NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CHEMBL569168,5.37
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,6.45
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,5.52
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,5.29
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,5.21
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,5.21
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL568416,5.24
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,7.32
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.19
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,5.39
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,5.24
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,5.37
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,5.31
+CCCOc1ccc2ccc(=O)oc2c1,CHEMBL568516,5.09
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,5.02
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.01
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,5.08
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,5.03
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,5.08
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,5.27
+COC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL567896,5.06
+NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1,CHEMBL379206,8.19
+Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL16909,8.22
+CNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL571371,8.31
+CN(C)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL277836,8.18
+NS(=O)(=O)c1ccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)cc1,CHEMBL274704,8.27
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL569804,8.46
+NS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1,CHEMBL571385,8.21
+Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL570615,8.23
+CN(C)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL576908,8.19
+NS(=O)(=O)c1cccc(/N=N/c2ccc(NCS(=O)(=O)O)cc2)c1,CHEMBL570257,7.24
+CN(CS(=O)(=O)O)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1,CHEMBL569350,7.2
+O=S(=O)(O)CNc1ccccc1,CHEMBL569351,5.29
+CN(CS(=O)(=O)O)c1ccccc1,CHEMBL571598,5.23
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,5.09
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.16
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,5.01
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.1
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.27
+O=C(O)c1ccc(O)cc1,CHEMBL441343,5.43
+Oc1ccccc1,CHEMBL14060,5.06
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.15
+CCN(CC)C(=S)S,CHEMBL107217,5.85
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1093729,7.1
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090012,7.09
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091319,7.08
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089371,7.08
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092028,7.06
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094036,7.05
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1094037,7.05
+COC(=O)[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091781,7.05
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092775,7.04
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093298,7.03
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092715,7.03
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1091806,7.02
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1090030,7.02
+COC(=O)[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1089370,7.02
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091073,7.02
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1090010,7.02
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1088997,7.01
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1091779,7.01
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092714,7.01
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093297,7.01
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1089329,7.01
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1092374,7.0
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SNCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091318,7.0
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1089372,7.0
+NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1090011,7.0
+COC(=O)[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1093054,6.99
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1092027,6.99
+CC(=O)OC[C@H]1O[C@@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1089015,6.98
+NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1088998,6.97
+CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1091780,6.97
+NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085238,8.47
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085555,8.46
+NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085047,8.07
+NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn(O)c(=O)n2)cc1,CHEMBL1085048,8.39
+NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1,CHEMBL1165695,7.79
+Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165822,8.24
+N#Cc1cc2c(cc1Cl)SC(=NNc1ccncc1S(N)(=O)=O)NS2(=O)=O,CHEMBL1165062,8.14
+NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1,CHEMBL1165061,8.12
+NNc1ccncc1S(N)(=O)=O,CHEMBL1164967,8.31
+CNNc1ccncc1S(N)(=O)=O,CHEMBL1164878,7.8
+CC1CC=NN1c1ccncc1S(N)(=O)=O,CHEMBL1163382,8.11
+C=CCNc1ccncc1S(N)(=O)=O,CHEMBL1164966,7.92
+NC(=O)CSc1ccncc1S(N)(=O)=O,CHEMBL1163376,7.93
+NS(=O)(=O)c1cnccc1SCc1ccccc1,CHEMBL1164472,7.52
+C#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164486,8.2
+N#CCSc1ccncc1S(N)(=O)=O,CHEMBL1164420,7.93
+CSc1ccncc1S(N)(=O)=O,CHEMBL1165117,7.33
+NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O,CHEMBL1164504,7.33
+NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1,CHEMBL1163951,8.02
+NS(=O)(=O)c1cnccc1Sc1nnns1,CHEMBL1165005,8.11
+Cn1nnnc1Sc1ccncc1S(N)(=O)=O,CHEMBL1165072,8.34
+NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-],CHEMBL1165118,8.12
+Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1,CHEMBL1165071,6.5
+NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,CHEMBL1165726,8.04
+NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1,CHEMBL1163599,8.1
+N#Cc1ccc(Oc2ccncc2S(N)(=O)=O)cc1,CHEMBL1164572,8.14
+CCOc1ccncc1S(N)(=O)=O,CHEMBL1165319,6.52
+COc1ccncc1S(N)(=O)=O,CHEMBL1165321,8.24
+COc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL477822,7.06
+COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)cc(=O)oc2c1,CHEMBL492022,7.23
+COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL514556,6.95
+COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,CHEMBL478669,7.04
+COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc(=O)oc2c1,CHEMBL489182,7.85
+O=c1ccc2cc(O)ccc2o1,CHEMBL243263,6.72
+O=c1cc(O)c2ccccc2o1,CHEMBL301141,6.39
+O=c1ccc2ccc(O)cc2o1,CHEMBL51628,6.32
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209038,8.19
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,7.31
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,6.51
+NCCCCCCN,CHEMBL303004,6.39
+NCCCCCN,CHEMBL119296,6.42
+NCCNCCN,CHEMBL303429,4.97
+NCCNc1cccc2ccccc12,CHEMBL1214195,6.29
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,6.92
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,4.94
+CC(=O)NCCNc1cccc2ccccc12,CHEMBL1214323,4.91
+NCCNCCNCCN,CHEMBL609,4.41
+NCCCNCCCCNCCCN,CHEMBL23194,4.88
+NCCCCNCCCN,CHEMBL19612,5.86
+NCCNCCCNCCN,CHEMBL1214193,4.32
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,6.09
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.01
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,5.39
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,5.3
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,4.99
+COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1241532,7.02
+NS(=O)(=O)c1cn(-c2ncnc3nc[nH]c23)ccc1=O,CHEMBL1240620,7.17
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])c3nonc23)ccc1=O,CHEMBL1242891,8.16
+NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1242890,8.28
+NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O,CHEMBL1242889,8.24
+NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O,CHEMBL1242794,6.93
+NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL1242793,7.92
+NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL1242792,8.0
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O,CHEMBL1242706,8.07
+NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O,CHEMBL1242705,8.01
+NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL1242704,7.93
+NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240574,7.19
+NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O,CHEMBL1240573,8.11
+Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL1240572,8.15
+Nc1nc(N)c2nc(CNc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254767,8.68
+Nc1nc(N)c2nc(CNCCc3ccc(S(N)(=O)=O)cc3)cnc2n1,CHEMBL1254856,8.33
+Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3)cnc2n1,CHEMBL1254939,8.6
+CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1255024,8.43
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270137,6.62
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270138,6.88
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270242,6.87
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270243,7.05
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270340,6.7
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270341,8.0
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270437,7.96
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270438,6.88
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270531,7.52
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270532,6.9
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270632,6.9
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270733,6.83
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270836,7.66
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270938,6.86
+Cc1c(C(=O)NCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270939,7.08
+Cc1c(C(=O)NCCCN(C)C)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271040,6.95
+Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271041,7.17
+Cc1c(C(=O)NCCN2CCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271145,6.82
+Cc1c(C(=O)NCCN2CCCCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271249,6.78
+Cc1c(C(=O)NCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269034,6.68
+Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1271456,6.7
+Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1269924,6.73
+Cc1c(C(=O)NCCCN2CCOCC2)cc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL1270032,7.0
+CCC(=O)c1c(OC)ccc2ccc(=O)oc12,CHEMBL1288621,7.42
+CCOc1ccc2ccc(=O)oc2c1C(=O)CC,CHEMBL1288622,7.33
+CCCOc1ccc2ccc(=O)oc2c1C(=O)CC,CHEMBL1288623,7.3
+CCCOc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL1288596,7.25
+CCC(=O)c1c(O)ccc2ccc(=O)oc12,CHEMBL1288557,7.24
+CCCCOc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL1288620,7.21
+CC(=O)c1c(OCCC23CC4CC(CC(C4)C2)C3)ccc2ccc(=O)oc12,CHEMBL1290219,7.19
+CCOc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL1288595,7.15
+CC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12,CHEMBL1290111,7.14
+CC(=O)c1c(O)ccc2ccc(=O)oc12,CHEMBL446518,7.14
+COc1ccc2ccc(=O)oc2c1C(C)=O,CHEMBL1288594,7.11
+CCOc1cc2oc(=O)ccc2cc1C(C)=O,CHEMBL1288559,5.13
+CCCOc1cc2oc(=O)ccc2cc1C(C)=O,CHEMBL1288560,5.12
+COc1cc2oc(=O)ccc2cc1C(C)=O,CHEMBL1288558,5.11
+CCC(=O)c1cc2ccc(=O)oc2cc1O,CHEMBL1288535,5.1
+CC(=O)c1cc2ccc(=O)oc2cc1O,CHEMBL1288534,5.1
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.08
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,5.35
+COc1ccccc1OC,CHEMBL1668603,5.06
+COc1ccc(OC)cc1,CHEMBL1668604,5.38
+COc1ccc(OC)c(OC)c1,CHEMBL1668605,5.39
+O=C(O)c1cc(O)cc(O)c1,CHEMBL95308,5.36
+O=C(O)c1cccc(O)c1,CHEMBL65369,5.34
+COc1cccc(OC)c1C(=O)O,CHEMBL488609,5.04
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL25600,6.24
+NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL1643289,7.38
+NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1,CHEMBL1643290,7.23
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CHEMBL1615281,7.35
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL1446150,7.24
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,CHEMBL1643291,7.16
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL1643292,7.61
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL1337519,8.21
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL1643293,7.28
+NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL316779,8.27
+COc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643294,6.33
+CC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643295,8.27
+CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1615280,9.3
+CC(C)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643296,6.27
+CCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643297,6.42
+CCCCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643298,9.1
+CCCCCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643299,7.33
+N#Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1643300,8.22
+N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1643301,9.52
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL1643302,7.16
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL1643303,7.18
+NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL1614844,9.05
+COc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1,CHEMBL1643304,7.13
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CHEMBL1643305,6.99
+NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1,CHEMBL1615215,8.14
+Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1643306,8.16
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1,CHEMBL1643307,8.15
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1688317,8.05
+NS(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688316,6.3
+NS(=O)(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688315,7.28
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1688314,7.21
+NS(=O)(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL1688313,8.07
+CO[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688312,8.08
+CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688311,6.2
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1688310,8.11
+CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COS(N)(=O)=O,CHEMBL1688309,7.12
+CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL1688308,7.07
+CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL1688307,7.11
+CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1688306,7.14
+NS(=O)(=O)c1ccc(C(=O)OCCCCO[N+](=O)[O-])cc1,CHEMBL1778431,6.78
+NS(=O)(=O)c1ccc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)cc1,CHEMBL1778432,6.6
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL1778433,7.96
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCCCO[N+](=O)[O-])c2)s1,CHEMBL1738778,6.63
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL1778434,6.75
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCCCO[N+](=O)[O-])cc2)s1,CHEMBL1778435,8.0
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778436,7.96
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1778437,7.03
+NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1,CHEMBL1777820,7.08
+NS(=O)(=O)c1ccc(OCCCCO[N+](=O)[O-])cc1,CHEMBL1778438,7.6
+NS(=O)(=O)c1ccc(OCCCCCO[N+](=O)[O-])cc1,CHEMBL1778439,7.07
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1797783,8.03
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL1797784,8.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797785,8.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL1797786,8.02
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL1797787,7.04
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1F,CHEMBL1797788,7.05
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL1797789,7.04
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797790,8.11
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1797791,8.05
+CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1797792,8.07
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807496,8.205
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807497,8.22
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807498,8.3
+CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1NS(N)(=O)=O,CHEMBL1807499,8.28
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL1807501,6.04
+NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CHEMBL1807502,5.9
+C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL1807503,5.5
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1807504,7.89
+CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1807505,7.8
+NS(=O)(=O)c1ccc(Nc2nc(NCC(=O)O)nc(NCC(=O)O)n2)cc1,CHEMBL1813206,8.08
+COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813207,8.03
+COC(=O)CNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1738792,8.09
+NS(=O)(=O)c1ccc(Nc2nc(NCCC(=O)O)nc(NCCC(=O)O)n2)cc1,CHEMBL1813208,8.05
+CC(Nc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1)C(=O)O,CHEMBL1813209,9.02
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813210,8.05
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1,CHEMBL1738787,9.12
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1,CHEMBL1813211,7.46
+CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813212,6.95
+COC(=O)CNc1nc(NCC(=O)OC)nc(NCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL1813213,8.04
+CC(Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813214,8.07
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCCC(=O)O)n2)cc1,CHEMBL1813215,7.47
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813216,7.02
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(=O)O)n2)cc1,CHEMBL1813217,7.04
+CC(Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC(C)C(=O)O)n1)C(=O)O,CHEMBL1813218,8.08
+NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1,CHEMBL1813219,8.05
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,8.89
+NS(=O)(=O)c1cnccc1Oc1ccncc1S(N)(=O)=O,CHEMBL1817908,8.05
+COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,CHEMBL1817672,7.87
+NS(=O)(=O)c1cnccc1-n1ccccc1=O,CHEMBL1817907,7.99
+COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O,CHEMBL1817906,8.06
+NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1,CHEMBL1817905,7.74
+CN(C)c1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817904,8.05
+Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1,CHEMBL1817903,8.0
+Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O,CHEMBL1817902,8.13
+NS(=O)(=O)c1cnccc1-[n+]1ccccc1,CHEMBL1817901,8.12
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,7.73
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,7.62
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,7.99
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,7.71
+NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1,CHEMBL1836399,7.16
+Cc1ccc(C#Cc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1836400,7.17
+COc1cccc(C#Cc2ccc(S(N)(=O)=O)cc2)c1,CHEMBL1836401,8.19
+NS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1,CHEMBL1836402,8.8
+NS(=O)(=O)c1ccc(C#Cc2cccc(F)c2)cc1,CHEMBL1836403,8.24
+NS(=O)(=O)c1cccc(C#Cc2ccccc2)c1,CHEMBL1836404,8.16
+Cc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1,CHEMBL1836405,8.96
+COc1cccc(C#Cc2cccc(S(N)(=O)=O)c2)c1,CHEMBL1836406,8.77
+NS(=O)(=O)c1cccc(C#Cc2cccc(F)c2)c1,CHEMBL1836407,9.0
+NS(=O)(=O)c1ccccc1C#Cc1ccccc1,CHEMBL1836408,5.2
+Cc1ccc(C#Cc2ccccc2S(N)(=O)=O)cc1,CHEMBL1836409,5.07
+NS(=O)(=O)c1ccccc1C#Cc1cccc(F)c1,CHEMBL1836410,5.07
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836634,7.04
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C#CCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1834000,7.14
+NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL1836633,7.15
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836632,7.17
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836631,7.05
+NS(=O)(=O)c1ccc(-n2nnc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836630,7.21
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836624,8.14
+NS(=O)(=O)c1ccc(-n2nnc(CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2I)cc1,CHEMBL1836629,8.19
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836628,7.21
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836627,7.0
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836626,7.01
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836625,7.15
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1836623,7.02
+CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1836622,8.21
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccccc1,CHEMBL1923674,7.11
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Br)cc1,CHEMBL1923675,7.22
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(Cl)cc1,CHEMBL1923676,7.66
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C#N)cc1,CHEMBL1923677,8.15
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(F)cc1,CHEMBL1923678,7.51
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(C)cc1,CHEMBL1923679,8.12
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc([N+](=O)[O-])c1,CHEMBL1923680,7.8
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc([N+](=O)[O-])cc1,CHEMBL1923681,8.3
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1cccc(N)c1,CHEMBL1923682,7.74
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(N)cc1,CHEMBL1923683,7.92
+O=C1C=CCCO1,CHEMBL55078,5.87
+O=c1cccco1,CHEMBL1934663,5.8
+Cc1cc(C)oc(=O)c1,CHEMBL372284,5.61
+O=C1CCCCO1,CHEMBL452383,5.44
+CC1CCC(=O)O1,CHEMBL195593,6.04
+O=C1C=CCO1,CHEMBL166223,5.35
+COC1=CC(=O)OC1,CHEMBL370888,5.47
+S=c1cccco1,CHEMBL1934664,5.13
+Cc1cc(C)oc(=S)c1,CHEMBL1934665,5.02
+O=C(O)/C=C/CCO,CHEMBL1934666,5.94
+Cc1cc(=O)oc2cc(O)ccc12,CHEMBL12208,6.25
+Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12,CHEMBL1172750,8.04
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)ccc12,CHEMBL1938469,6.7
+Cc1cc(=O)oc2cc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)ccc12,CHEMBL1938470,5.49
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1441570,6.43
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1393422,7.03
+Cc1cc(=O)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938471,6.46
+Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CHEMBL1938472,6.09
+COc1cc2oc(=O)ccc2cc1C(O)CC(C)C,CHEMBL1938473,4.26
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,7.09
+OC(=S)c1ccccc1,CHEMBL1955873,5.25
+[O-][n+]1ccccc1S,CHEMBL1356238,5.76
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,5.19
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,7.24
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,7.8
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956743,8.16
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956744,8.13
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956745,6.35
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL1956746,8.06
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956747,8.14
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956748,8.24
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956749,6.36
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956750,8.48
+CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956751,8.13
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956752,8.12
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956753,6.91
+CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956754,8.04
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956755,8.12
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956756,8.14
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956757,6.44
+CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL1956758,8.05
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956759,6.55
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956760,8.06
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956761,8.06
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956762,6.95
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956763,8.15
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956764,8.16
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956765,8.55
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,CHEMBL1956766,6.92
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956767,8.08
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956768,8.08
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956769,8.68
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956770,6.94
+NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956771,6.59
+NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956772,8.08
+NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956773,8.05
+NS(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,CHEMBL1956774,6.95
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1,CHEMBL1957175,6.1
+CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1,CHEMBL1957176,6.07
+Oc1ccc2oc(=S)ccc2c1,CHEMBL1957177,6.1
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1,CHEMBL1957178,6.07
+CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1,CHEMBL1957179,6.02
+Oc1ccc2ccc(=S)oc2c1,CHEMBL1955879,6.11
+C=CCOc1ccc2oc(=O)ccc2c1,CHEMBL1957172,6.03
+C=CCOc1ccc2ccc(=O)oc2c1,CHEMBL432745,6.14
+C=CCOc1cc(=O)oc2ccccc12,CHEMBL1957180,6.68
+C=CCOc1ccc2oc(=S)ccc2c1,CHEMBL1957181,5.49
+C=CCOc1ccc2ccc(=S)oc2c1,CHEMBL1957182,5.49
+C=CCOc1cc(=S)oc2ccccc12,CHEMBL1957183,5.52
+O=c1ccc2ccc(OCCO)cc2o1,CHEMBL1957184,6.04
+Cc1ccc(S(=O)(=O)OCCOc2ccc3ccc(=O)oc3c2)cc1,CHEMBL1957185,6.28
+O=c1ccc2ccc(OCCF)cc2o1,CHEMBL1957186,6.17
+CC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL1951641,6.41
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1,CHEMBL1957187,6.21
+Cc1cc(=O)oc2cc(NC(=O)OC(C)(C)C)ccc12,CHEMBL1957188,6.01
+Cc1cc(=O)oc2cc(N)ccc12,CHEMBL270672,5.12
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.47
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.62
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638,5.375
+O=c1c(O)c(-c2ccccc2)oc2ccccc12,CHEMBL294009,5.255
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915,5.31
+O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL117,5.575
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.02
+S=C(S)Nc1ccccc1,CHEMBL2023162,8.38
+S=C(S)NN1CCOCC1,CHEMBL2023163,7.54
+CN1CCN(NC(=S)S)CC1,CHEMBL2023164,7.66
+CCC(C)NC(=S)S,CHEMBL2023165,8.34
+S=C(S)NCCN1CCOCC1,CHEMBL2023166,8.35
+S=C(S)NCCN(CCNC(=S)S)CCNC(=S)S,CHEMBL2023167,7.56
+S=C(S)NCc1ccccc1,CHEMBL2023168,7.72
+S=C(S)NCc1ccncc1,CHEMBL2023169,7.59
+S=C(S)NCCN1CCCCC1,CHEMBL2023170,8.44
+S=C(S)Nc1nccs1,CHEMBL2023171,7.9
+O=C(O)CNC(=S)S,CHEMBL2023172,7.24
+S=C(S)NCCCn1ccnc1,CHEMBL2023718,8.37
+CN(C)C(=S)S,CHEMBL569460,6.15
+S=C(S)N1CCCC1,CHEMBL2021946,7.15
+CC(C)CN(CC(C)C)C(=S)S,CHEMBL2023719,8.35
+CCCN(CCC)C(=S)S,CHEMBL2023720,7.27
+CCCCN(CCCC)C(=S)S,CHEMBL2023721,7.3
+CCCCCCN(CCCCCC)C(=S)S,CHEMBL2023722,7.56
+CCCCN(CC)C(=S)S,CHEMBL2023723,7.59
+OCCN(CCO)C(=S)S,CHEMBL2023724,8.37
+CN(C(=S)S)c1ccccc1,CHEMBL2023725,7.55
+CN(Cc1ccccc1)C(=S)S,CHEMBL2023726,7.28
+S=C(S)N1CCOCC1,CHEMBL2023727,8.21
+S=C(S)N1CCN(C(=S)S)CC1,CHEMBL2023728,7.43
+N#CC1(c2ccccc2)CCN(C(=S)S)CC1,CHEMBL2023729,6.12
+O=C(O)[C@@H]1CCCN1C(=S)S,CHEMBL2023730,8.39
+COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2048917,8.42
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2,CHEMBL2048918,6.68
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)NCC2,CHEMBL2048919,6.89
+COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)N(S(N)(=O)=O)CC2,CHEMBL2048920,7.12
+COc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048921,8.19
+CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048922,8.09
+CCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2048923,8.08
+NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1,CHEMBL2048924,7.38
+COc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048925,7.74
+CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048926,8.14
+CCCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048927,7.79
+NS(=O)(=O)c1ccc(C2=NCCc3cc(O)ccc32)cc1,CHEMBL2048928,7.29
+COc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048929,7.81
+CCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048930,8.04
+CCCOc1ccc2c(c1)CCNC2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048931,8.04
+NS(=O)(=O)c1ccc(C2NCCc3cc(O)ccc32)cc1,CHEMBL2048932,7.17
+COc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048933,8.19
+CCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048934,7.28
+CCCOc1ccc2c(c1)CCN(S(N)(=O)=O)C2c1ccc(S(N)(=O)=O)cc1,CHEMBL2048935,8.11
+NS(=O)(=O)c1ccc(C2c3ccc(O)cc3CCN2S(N)(=O)=O)cc1,CHEMBL2048936,8.1
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(I)cc2)cc1,CHEMBL2047800,8.22
+N#Cc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047801,8.24
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL2047805,8.283
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL2047808,8.283
+CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047809,8.177
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1,CHEMBL2047810,8.355
+Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047811,8.218
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047812,8.265
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1,CHEMBL2047814,8.24
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1,CHEMBL2047815,8.2
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,CHEMBL2047817,8.22
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL2047818,8.265
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1,CHEMBL2047819,8.285
+COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1,CHEMBL2047820,8.22
+Cc1ccc(CNC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1,CHEMBL2047829,8.22
+CSc1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1,CHEMBL2047834,8.24
+CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CHEMBL2047836,8.265
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1,CHEMBL2047837,8.285
+NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccs2)cc1,CHEMBL2047841,8.24
+NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,CHEMBL2047842,8.315
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1,CHEMBL2047843,8.285
+NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1,CHEMBL2047845,8.22
+O=C(O)/C(O)=C/C(=O)c1ccccc1,CHEMBL467389,5.17
+O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL499273,5.16
+COC(=O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1,CHEMBL2070203,5.16
+O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccccc2)c2ccccc12,CHEMBL1673089,5.08
+O=C(O)/C(O)=C(\O)C(=O)O,CHEMBL41028,5.17
+CC(=O)c1c(C(=O)O)n(C)c2cc3c(cc12)OCO3,CHEMBL2070204,4.78
+COc1ccccc1C(=O)CC(=O)/C=C(\O)C(=O)O,CHEMBL2070205,6.14
+COC(=O)/C(O)=C/C(=O)CC(=O)c1ccccc1OC,CHEMBL2070206,5.12
+CCn1cc(-c2cc(C(=O)O)[nH]n2)c2ccccc21,CHEMBL2070207,5.11
+O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070208,5.21
+COC(=O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1,CHEMBL2070209,5.03
+O=C(O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070210,5.11
+COC(=O)/C(O)=C1/C(=O)Nc2ccccc21,CHEMBL2070211,5.1
+COC(=O)/C(O)=C1/C(=O)N(c2ccccc2)c2ccccc21,CHEMBL2070212,5.09
+CCn1cc(C2=C(O)C(=O)NC2=O)c2ccccc21,CHEMBL2070213,5.18
+O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070202,4.79
+O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2[nH]1,CHEMBL2070214,4.82
+O=C(O)c1ccccc1Nc1ccccc1,CHEMBL23832,7.3
+NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL2148104,7.92
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164738,8.35
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL2164737,9.4
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL2164736,7.24
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2164735,7.28
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164734,7.19
+NS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164733,7.46
+NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2164732,7.57
+NS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164731,6.21
+NS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL2164730,7.19
+NS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2164729,7.19
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,5.49
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,5.63
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,5.59
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,5.73
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,5.66
+NS(=O)(=O)c1cn(CC(=O)NNC(=O)c2ccco2)ccc1=O,CHEMBL2203350,7.25
+Cc1ccc(S(=O)(=O)NNC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203349,7.93
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O,CHEMBL2203348,7.19
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O,CHEMBL2203347,7.41
+NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1=O,CHEMBL2203346,7.53
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1,CHEMBL2203345,7.51
+COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203344,7.06
+NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O,CHEMBL2203372,7.48
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O,CHEMBL2203371,7.22
+NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)ccc1=O,CHEMBL2203356,7.03
+Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2203355,7.76
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1=O,CHEMBL2203354,7.15
+Cc1ccc(-n2c(Cn3ccc(=O)c(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1,CHEMBL2203353,7.15
+NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1=O,CHEMBL2203352,7.12
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)C(C)(C)C1,CHEMBL2203351,7.18
+CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)CC1,CHEMBL2208446,7.11
+Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1,CHEMBL2203339,7.14
+CCN(c1ccccc1)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208445,7.3
+CN(C)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1,CHEMBL2208444,7.78
+Cc1noc(C)c1Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208443,7.64
+NS(=O)(=O)c1cn(CC2CC2)ccc1=O,CHEMBL2208442,7.07
+CCOC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208441,7.22
+N#CCCCn1ccc(=O)c(S(N)(=O)=O)c1,CHEMBL2208440,7.17
+NS(=O)(=O)c1cn(CCO)ccc1=O,CHEMBL2208439,7.26
+N=C(N)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL2323125,7.47
+N=C(N)Nc1ccc(C(=O)O)cc1,CHEMBL20767,5.59
+N=C(N)Nc1ccc(O)cc1,CHEMBL2323124,5.38
+COc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL2326522,7.31
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc2O1,CHEMBL2326521,7.32
+COc1ccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)cc1,CHEMBL2326520,7.74
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)ccc2O1,CHEMBL2326519,7.13
+CCN(CC)Cc1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326518,7.6
+O=S1(=O)C=Cc2cc(-n3cc(CO)nn3)ccc2O1,CHEMBL2326517,7.24
+C[Si](C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326516,7.22
+CCOC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326515,7.07
+COC(=O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL2326514,6.02
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccccc4)nn3)ccc2O1,CHEMBL2326513,7.54
+O=S1(=O)C=Cc2cc(Cl)cc(Cl)c2O1,CHEMBL2326512,5.49
+Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326511,7.34
+O=[N+]([O-])c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2321923,5.42
+O=S1(=O)C=Cc2cc(Br)ccc2O1,CHEMBL2326510,5.17
+O=S1(=O)C=Cc2c(ccc3ccccc23)O1,CHEMBL2326509,6.43
+O=S1(=O)C=Cc2cc(OCc3ccccc3)ccc2O1,CHEMBL2326508,6.56
+COS(=O)(=O)c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL2326507,6.49
+O=S1(=O)C=Cc2cc(O)ccc2O1,CHEMBL2326506,6.52
+Nc1cc(O)ccc1Cl,CHEMBL2333959,5.33
+Nc1cccc(O)c1,CHEMBL269755,5.31
+O=C(O)c1cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)ccc1NC(=S)NCCc1ccc(O)c(O)c1,CHEMBL2333956,5.17
+CC(C)OC(=O)/C=C/c1ccc(O)cc1,CHEMBL1940391,6.17
+CCOC(=O)/C=C/c1ccc(O)cc1,CHEMBL2074640,6.21
+COC(=O)/C=C/c1ccc(O)cc1,CHEMBL146816,6.07
+CC(C)OC(=O)c1cc(O)cc(O)c1,CHEMBL2333590,6.05
+CCOC(=O)c1cc(O)cc(O)c1,CHEMBL448695,6.04
+COC(=O)c1cc(O)cc(O)c1,CHEMBL486218,6.09
+CC(C)OC(=O)c1ccc(O)c(O)c1,CHEMBL2333589,6.1
+CCOC(=O)c1ccc(O)c(O)c1,CHEMBL486216,6.11
+COC(=O)c1ccc(O)c(O)c1,CHEMBL486027,6.1
+CC(C)OC(=O)c1c(O)cccc1O,CHEMBL2333588,6.1
+CCOC(=O)c1c(O)cccc1O,CHEMBL2333587,6.11
+COC(=O)c1c(O)cccc1O,CHEMBL2333586,6.09
+O=C(O)c1c(O)cccc1O,CHEMBL454808,5.23
+CC(C)OC(=O)c1cc(O)ccc1O,CHEMBL2333585,6.09
+CCOC(=O)c1cc(O)ccc1O,CHEMBL2333584,6.07
+COC(=O)c1cc(O)ccc1O,CHEMBL1978880,6.08
+O=C(O)c1cc(O)ccc1O,CHEMBL1461,5.18
+CC(C)OC(=O)c1ccc(O)cc1O,CHEMBL2333963,6.51
+CCOC(=O)c1ccc(O)cc1O,CHEMBL466810,6.09
+COC(=O)c1ccc(O)cc1O,CHEMBL486026,6.05
+O=C(O)c1ccc(O)cc1O,CHEMBL328910,4.17
+CC(C)OC(=O)c1ccc(O)cc1,CHEMBL2333962,5.13
+CCOC(=O)c1ccc(O)cc1,CHEMBL15841,5.09
+COC(=O)c1ccc(O)cc1,CHEMBL325372,5.26
+C=C(Cl)CN(CC(=C)Cl)S(=O)(=O)c1ccc(N)cc1,CHEMBL2333977,7.14
+C=C(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333976,7.05
+Nc1ccc(S(=O)(=O)NCCC(F)F)cc1,CHEMBL2333975,5.67
+Nc1ccc(S(=O)(=O)NCCC(F)Cl)cc1,CHEMBL2333974,5.61
+CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333973,7.33
+CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333972,5.61
+CC(=O)Nc1ccc(S(=O)(=O)NCC(C)F)cc1,CHEMBL2333971,5.36
+CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333970,7.08
+C=C(C)CNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333969,5.46
+CCCNS(=O)(=O)c1ccc(N)cc1,CHEMBL2333968,5.68
+CC1CN(C)S(=O)(=O)c2ccc(N)cc21,CHEMBL2333967,6.87
+CC(F)CNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333966,7.36
+NS(=O)(=O)c1ccc2c(c1)CCCN2,CHEMBL2333965,7.3
+C=CCNc1ccc(S(N)(=O)=O)cc1,CHEMBL2333964,5.85
+COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34,CHEMBL2334354,4.76
+C/C(=C\Cc1cc2ccc(=O)oc2cc1O)CO,CHEMBL2334353,5.01
+COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL225024,5.06
+COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C,CHEMBL1098016,5.09
+CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,CHEMBL303846,5.12
+COc1cc2oc(=O)ccc2cc1O,CHEMBL390320,5.13
+COc1cc2ccc(=O)oc2c(OC)c1OC,CHEMBL253551,5.18
+COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O,CHEMBL2334356,5.2
+C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O,CHEMBL2003049,5.39
+COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2,CHEMBL479462,5.46
+COc1ccc(-c2c3n(c4c(=O)oc5cc(OC)c(O)cc5c24)CCc2cc(OS(=O)(=O)O)c(OC)cc2-3)cc1O,CHEMBL2334357,5.49
+COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)cc1O,CHEMBL2334355,5.49
+COc1cc2ccc(=O)oc2cc1O,CHEMBL71851,6.02
+CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL1995684,6.05
+COc1c2c(c(OC)c3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL2334350,6.07
+COc1c(O)ccc2ccc(=O)oc12,CHEMBL2331585,6.07
+COc1cc2ccc(=O)oc2c(O)c1OC,CHEMBL2334351,6.07
+CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O,CHEMBL7121,6.08
+COc1c2c(c3ccc(=O)oc3c1/C=C/C(C)(C)O)OC(C)(C)C=C2,CHEMBL258230,6.11
+COc1cc(OC)c2ccc(=O)oc2c1OC,CHEMBL596221,6.12
+COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2,CHEMBL501358,6.13
+C=C(C)C(COC(=O)c1cccnc1)c1c(OC)ccc2ccc(=O)oc12,CHEMBL2334352,6.17
+C=C(C)/C=C/c1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2,CHEMBL2334004,6.21
+COc1cc2ccc(=O)oc2c(O)c1O,CHEMBL54909,6.21
+C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1,CHEMBL56918,6.22
+COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,CHEMBL293864,6.43
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.09
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.04
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.09
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.35
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.54
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.48
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.23
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.28
+N#Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272457,5.11
+Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O,CHEMBL272458,5.19
+C/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O,CHEMBL479638,4.99
+C/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O,CHEMBL479836,5.15
+COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1F,CHEMBL449451,4.99
+O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL475278,5.16
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl,CHEMBL1782957,5.22
+O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl,CHEMBL1782958,5.15
+COc1ccc2cc(-c3cc(CO)nn3-c3cccc(S(N)(=O)=O)c3)ccc2c1,CHEMBL2336618,7.54
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)c1,CHEMBL2336617,7.72
+NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccccc2)c1,CHEMBL2336616,7.51
+NS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1,CHEMBL2336615,7.68
+NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2CO)cc1,CHEMBL2336614,6.8
+COc1ccc2cc(-c3nn(-c4ccc(S(N)(=O)=O)cc4)cc3CO)ccc2c1,CHEMBL2336613,7.32
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccc4ccccc4c3)n2)cc1,CHEMBL2336612,7.31
+NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccccc3)n2)cc1,CHEMBL2336630,7.18
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3c(ccc4ccccc43)c2)cc1,CHEMBL2336629,5.73
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL2331608,7.57
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1Br,CHEMBL2336628,7.52
+COc1ccc2cc(-c3cc(CO)nn3-c3ccc(S(N)(=O)=O)cc3)ccc2c1,CHEMBL2336627,7.72
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)cc1,CHEMBL2336626,7.77
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1,CHEMBL2336625,6.6
+COc1ccccc1-c1cc(CO)nn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL2336624,7.49
+COc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL2336623,7.59
+COc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336622,7.7
+N#Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336621,7.57
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1,CHEMBL2336620,7.82
+Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2336619,7.66
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1,CHEMBL2336632,7.89
+NS(=O)(=O)c1ccc(-n2nc(CCO)cc2-c2ccccc2)cc1,CHEMBL2336631,7.64
+NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1,CHEMBL2336633,7.57
+C[C@@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2337527,6.05
+CC(=O)O[C@H]1[C@H](C)O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2337526,8.3
+CC(=O)C1=NN(c2ccccc2)/C(=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)S1,CHEMBL2337539,9.48
+N#CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=S)Nc1ccccc1,CHEMBL2337538,8.24
+N#C/C(=N\Nc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337537,8.02
+N=c1oc2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337536,7.89
+N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337535,8.02
+N#C/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337534,8.43
+N#C/C(=C\c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1347917,8.37
+N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337533,8.31
+CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337532,8.47
+N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337531,9.17
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337530,9.19
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O,CHEMBL2337529,8.27
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC,CHEMBL2337528,7.67
+COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1,CHEMBL2337134,8.11
+COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337133,9.02
+COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL2337132,7.69
+COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2337544,9.07
+COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL1594453,7.49
+N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337543,9.03
+N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337542,7.45
+N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337541,8.05
+N#CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2337540,8.28
+Cc1cc(Cl)ccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331760,8.48
+NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1,CHEMBL2331759,8.59
+COc1ccc(OC)c(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331758,8.58
+CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12,CHEMBL2331757,8.47
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1,CHEMBL2331756,8.47
+CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331755,8.58
+COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1,CHEMBL2331769,8.52
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1,CHEMBL2331768,8.61
+COc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c(C)c1,CHEMBL2331767,8.48
+Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1,CHEMBL2331766,8.44
+NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1,CHEMBL2331765,8.44
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL2331764,8.52
+NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL2331763,8.46
+CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1,CHEMBL2331762,8.46
+NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1,CHEMBL2331761,8.44
+NS(=O)(=O)c1ccc(CCN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2331569,7.07
+NS(=O)(=O)c1ccc(CN2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332768,7.3
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c(Cl)c1,CHEMBL2332769,7.77
+NS(=O)(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL2332770,7.08
+NS(=O)(=O)c1cccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)c1,CHEMBL2332771,7.49
+NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O,CHEMBL2332772,7.17
+NS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2348438,7.25
+NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2348439,7.29
+N#CNC(=S)S,CHEMBL2380755,6.17
+S=C(S)SCc1ccccc1,CHEMBL2380754,8.11
+S=C(S)OC1CC2CC1C1CCCC21,CHEMBL404954,6.19
+S=C(S)OCCC12CC3CC(CC(C3)C1)C2,CHEMBL2380753,6.11
+S=C(S)OCC12CC3CC(CC(C3)C1)C2,CHEMBL2380752,6.11
+S=C(S)OCCc1ccccn1,CHEMBL2380751,8.37
+S=C(S)OCC(c1ccccc1)c1ccccc1,CHEMBL2380750,7.24
+S=C(S)OCc1ccccc1,CHEMBL2380749,8.09
+CC(C)(C)OC(=O)NCCCCCCOC(=S)S,CHEMBL2380748,6.12
+CC(C)(C)OC(=O)NCCCCOC(=S)S,CHEMBL2380747,6.21
+CN(C)CCOCCOC(=S)S,CHEMBL2380746,6.08
+CN(C)CCOC(=S)S,CHEMBL2380745,6.12
+S=C(S)OC1CCCCC1,CHEMBL2380744,7.1
+S=C(S)OC1CCCC1,CHEMBL2380743,7.33
+CCCCCCCCOC(=S)S,CHEMBL2380742,7.14
+CCCCCOC(=S)S,CHEMBL2380741,6.39
+CC(C)CCOC(=S)S,CHEMBL2380740,6.49
+CC(C)OC(=S)S,CHEMBL2380739,6.27
+CCOC(=S)S,CHEMBL2380738,6.25
+COC(=S)S,CHEMBL2380737,6.2
+COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC,CHEMBL2387066,6.66
+COc1ccc(CCNS(N)(=O)=O)cc1OC,CHEMBL2387068,7.04
+COc1ccc(CCNS(N)(=O)=O)cc1,CHEMBL2387069,6.42
+COc1ccccc1CCNS(N)(=O)=O,CHEMBL2387070,7.39
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,5.45
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,4.8
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1,CHEMBL2391081,4.49
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1,CHEMBL2407713,7.87
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1,CHEMBL2407712,7.71
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Br)cc1,CHEMBL2407711,8.04
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1,CHEMBL2407710,8.33
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(Cl)c2)cc1,CHEMBL2407709,8.66
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1,CHEMBL2407708,8.11
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1,CHEMBL2407707,7.43
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1,CHEMBL2407715,7.27
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2F)cc1,CHEMBL2407714,7.35
+NS(=O)(=O)c1ccc(N2C(=O)CSC2c2ccccc2)cc1,CHEMBL2216818,7.67
+COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL2402764,9.51
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1,CHEMBL2402763,9.21
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1,CHEMBL2402762,8.89
+NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1,CHEMBL2402761,8.68
+COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1518649,9.6
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402760,9.24
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL1898609,8.92
+NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402759,8.19
+COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402758,9.35
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1,CHEMBL2402757,9.0
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402756,9.28
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402755,8.51
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1,CHEMBL2402754,9.21
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1,CHEMBL2402753,9.28
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1,CHEMBL2402752,8.92
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1,CHEMBL2402777,8.3
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1,CHEMBL2402776,9.39
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1,CHEMBL2402775,9.13
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1,CHEMBL2402774,8.2
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1,CHEMBL2402773,8.0
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1,CHEMBL2402772,8.74
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1,CHEMBL2402771,8.8
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(F)c1,CHEMBL2402770,8.11
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1,CHEMBL2402769,8.14
+COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL2402768,9.49
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1,CHEMBL2402767,9.36
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,CHEMBL2402766,7.14
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CHEMBL2402765,8.33
+N#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F,CHEMBL2414076,6.09
+CS(=O)(=O)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c(F)c1,CHEMBL2414075,6.85
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)s1,CHEMBL2414074,8.27
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl,CHEMBL2414073,7.09
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1,CHEMBL2414072,6.4
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1,CHEMBL2414071,7.2
+N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414070,7.53
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1,CHEMBL2414069,7.96
+NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1,CHEMBL2413089,7.05
+NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1,CHEMBL2414068,7.0
+COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414067,8.19
+CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414066,6.15
+Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1,CHEMBL2414065,7.36
+Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1,CHEMBL2414064,6.25
+NS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1,CHEMBL2414077,8.14
+NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL1232755,7.62
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Br)c1,CHEMBL2424829,8.06
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(Cl)c1,CHEMBL2424828,8.07
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c(F)c1,CHEMBL2424827,8.03
+NS(=O)(=O)c1ccccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O,CHEMBL2424826,6.63
+NS(=O)(=O)c1cccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1,CHEMBL2424825,7.62
+NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424832,7.8
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424831,7.91
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1,CHEMBL2424830,8.04
+NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,CHEMBL574782,7.08
+CCC[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C,CHEMBL2430111,7.02
+NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL573127,7.72
+NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1,CHEMBL574780,7.96
+CSc1nc(N)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436875,7.18
+CCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436874,7.5
+CCOC(=O)CCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436873,7.71
+CCCCc1c(C)nn(-c2ccncc2S(N)(=O)=O)c1C,CHEMBL2436872,7.31
+Cc1nn(-c2ccncc2S(N)(=O)=O)c(C)c1C,CHEMBL2436871,7.64
+Cc1cc(C)n(-c2ccncc2S(N)(=O)=O)n1,CHEMBL2436870,7.61
+NS(=O)(=O)c1cnccc1N1CCC(Cc2ccccc2)CC1,CHEMBL2436869,6.87
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL2436868,7.05
+NS(=O)(=O)c1cnccc1N1CCN(Cc2ccccc2)CC1,CHEMBL2436867,7.35
+NS(=O)(=O)c1cnccc1N1CCN(c2ncccn2)CC1,CHEMBL2436884,7.11
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1,CHEMBL2436883,6.95
+Cc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1,CHEMBL2436882,6.26
+COc1ccccc1N1CCN(c2ccncc2S(N)(=O)=O)CC1,CHEMBL2436881,6.19
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CHEMBL2436880,6.47
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2F)CC1,CHEMBL2436879,6.83
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(F)cc2)CC1,CHEMBL2436878,6.62
+NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL2436877,6.87
+NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1,CHEMBL2436876,6.91
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,6.67
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,6.7
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,6.64
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,6.68
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,7.65
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,7.66
+NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,CHEMBL574783,6.87
+Cc1nccn1CCCNS(N)(=O)=O,CHEMBL3087327,7.68
+NS(=O)(=O)NCCn1ccnc1[N+](=O)[O-],CHEMBL3087324,7.39
+Cc1ncc([N+](=O)[O-])n1CCOS(N)(=O)=O,CHEMBL3085793,8.08
+Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,CHEMBL3087323,7.69
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1cccc(S(N)(=O)=O)c1,CHEMBL3087322,8.11
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087321,8.08
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1,CHEMBL3087320,8.14
+Cc1ncc([N+](=O)[O-])n1CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3087319,8.14
+NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+](=O)[O-])c1,CHEMBL3087318,8.14
+NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087317,8.1
+NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087316,8.1
+NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1,CHEMBL3087315,7.15
+Oc1ccccc1CNc1ccccc1NCc1ccccc1O,CHEMBL3092750,6.66
+Oc1ccccc1CNCCCCCCNCc1ccccc1O,CHEMBL3092749,5.6
+Oc1ccccc1CNCCCCCNCc1ccccc1O,CHEMBL3092748,5.38
+Oc1ccccc1CNCCCCNCc1ccccc1O,CHEMBL3092747,5.36
+Oc1ccccc1CNCCCNCc1ccccc1O,CHEMBL1467754,5.47
+Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O,CHEMBL1985188,5.61
+Oc1ccccc1/C=N/CCCCCC/N=C/c1ccccc1O,CHEMBL1163022,5.36
+Oc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O,CHEMBL3092751,5.35
+Oc1ccccc1/C=N/CCCC/N=C/c1ccccc1O,CHEMBL593618,4.98
+Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O,CHEMBL593165,4.8
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092810,6.6
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092811,6.1
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092812,7.16
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092813,6.9
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3092814,6.03
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092815,6.23
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C,CHEMBL3092816,6.43
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC,CHEMBL3092817,6.47
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC,CHEMBL3092818,7.29
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC,CHEMBL3092819,8.29
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092934,6.14
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092935,6.4
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092936,6.23
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092938,6.06
+CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3092937,6.32
+NS(=O)(=O)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c1,CHEMBL3092939,7.11
+CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C,CHEMBL3092940,6.37
+CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC,CHEMBL3092941,6.02
+CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,CHEMBL3092942,6.2
+CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC,CHEMBL3092943,6.32
+C#Cc1cccc(S(N)(=O)=O)c1,CHEMBL1232090,7.18
+NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,CHEMBL3098848,7.27
+NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1,CHEMBL3098849,7.18
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,8.01
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,6.55
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccccc2)cc1Cl,CHEMBL3104369,8.33
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104164,6.59
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104163,6.5
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104162,6.71
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,CHEMBL3104161,6.38
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104160,6.51
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104159,6.57
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104158,6.45
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104157,7.05
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl,CHEMBL3104156,7.11
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104155,8.03
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104065,7.74
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104064,7.52
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104063,6.86
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104062,7.34
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc23)cc1Cl,CHEMBL3104061,7.55
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104060,7.99
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104059,7.74
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104058,7.82
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104057,7.21
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104056,7.59
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl,CHEMBL3104055,7.57
+Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104054,8.02
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104053,7.77
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104052,7.68
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104051,7.23
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104050,7.8
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl,CHEMBL3104049,7.48
+Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104368,7.87
+Cc1cc(S(=O)(=O)NC(N)=NNc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104367,8.09
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccccc2)cc1Cl,CHEMBL3104366,6.86
+Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccccc2)cc1Cl,CHEMBL3104365,7.85
+Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl,CHEMBL3104364,7.59
+NS(=O)(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O,CHEMBL3113924,5.11
+NS(=O)(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1,CHEMBL3113923,5.08
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1,CHEMBL3113922,6.06
+NS(=O)(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,CHEMBL3113926,5.0
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377772,5.05
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377773,5.06
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3cccc4ccccc34)ccc2O1,CHEMBL3114104,8.19
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)ccc2O1,CHEMBL3114103,8.09
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(F)c(Cl)c3)ccc2O1,CHEMBL3114102,8.16
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)cc3)ccc2O1,CHEMBL3114101,8.06
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3cccc(Br)c3)ccc2O1,CHEMBL3114100,7.25
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3114099,7.41
+COc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3114098,8.06
+Cc1cccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3114097,7.57
+Cc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3114096,8.04
+O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccccc3)ccc2O1,CHEMBL3114095,8.07
+Cc1nnnn1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3114094,7.18
+O=S1(=O)C=Cc2cc(-n3cnnn3)ccc2O1,CHEMBL3114093,7.16
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1,CHEMBL3121770,8.55
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1,CHEMBL3121766,7.39
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1,CHEMBL3121765,6.98
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1,CHEMBL3121764,7.05
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1,CHEMBL3121763,7.19
+COc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121762,6.37
+Cc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,CHEMBL3121761,6.45
+NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1,CHEMBL3121760,6.94
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1,CHEMBL3121759,6.94
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CHEMBL3121758,8.43
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1,CHEMBL3121757,7.12
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1,CHEMBL3121756,7.6
+COc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121755,8.19
+Cc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1,CHEMBL3121754,7.89
+NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,CHEMBL3121753,7.68
+NS(=O)(=O)c1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121752,8.05
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Br)cc3)n[nH]c2=S)cc1,CHEMBL3121772,8.12
+NS(=O)(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1,CHEMBL3121771,8.24
+COc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121769,8.09
+Cc1ccc(-c2n[nH]c(=S)n2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3121768,7.8
+NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,CHEMBL3121767,7.66
+COc1ccc(Nc2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3120745,8.07
+Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)n1,CHEMBL3120744,8.41
+Nc1cccnc1Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3120743,7.97
+NCCCNc1nc(NCCCN)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120742,7.74
+CN(CCO)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)CCO)n1,CHEMBL3120741,8.23
+CC(C)(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)(C)C)n1,CHEMBL3120740,7.71
+NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CHEMBL242764,7.47
+Nc1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120739,8.62
+Cc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)c1,CHEMBL3120738,7.99
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1,CHEMBL243806,7.7
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1,CHEMBL3120750,7.67
+NCCCNc1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120749,7.67
+CN(CCO)c1nc(Cl)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL3120748,8.92
+Cc1cccc(Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,CHEMBL3120747,8.29
+NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1,CHEMBL3120746,8.23
+O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Cl)cc1,CHEMBL1603618,6.64
+N#CCCCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125557,6.54
+CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL131790,6.4
+CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1545298,6.7
+O=C(O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125555,6.51
+C/C(CN1C(=O)c2ccccc2S1(=O)=O)=N\O,CHEMBL3125554,6.57
+O=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccc([N+](=O)[O-])cc2)no1,CHEMBL3125553,6.51
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)c(Cl)c1,CHEMBL3125548,6.41
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(F)c1,CHEMBL3125546,6.42
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(Br)c1,CHEMBL3125544,6.44
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1,CHEMBL3125542,7.96
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-],CHEMBL1470455,7.04
+N#Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL3125564,6.62
+CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125563,6.48
+CC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL415079,6.82
+C/C=C/CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125562,7.01
+C=CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125561,6.85
+C#CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125560,6.68
+N#CCN1C(=O)c2ccccc2S1(=O)=O,CHEMBL3125559,6.54
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(Cl)cc3)ccc2O1,CHEMBL3127574,8.04
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(Cl)c3)ccc2O1,CHEMBL3124967,8.06
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(F)cc3)ccc2O1,CHEMBL3127573,8.08
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(F)c3)ccc2O1,CHEMBL3127572,8.13
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3127571,8.14
+O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(C(F)(F)F)c3)ccc2O1,CHEMBL3127570,8.02
+COc1ccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3127569,8.08
+COc1cccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3127568,8.04
+Nc1ccccc1-c1cnnn1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3127566,8.02
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(F)c4)nn3)ccc2O1,CHEMBL3127563,8.05
+Nc1ccccc1-c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127560,8.1
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(Cl)cc4)nn3)ccc2O1,CHEMBL3127559,8.11
+CC(C)(C)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127556,7.98
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(OC(F)(F)F)cc3)ccc2O1,CHEMBL3127567,6.99
+O=S1(=O)C=Cc2cc(-n3nncc3-c3ccccc3)ccc2O1,CHEMBL3127565,7.17
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(F)cc4)nn3)ccc2O1,CHEMBL3127564,6.27
+O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)ccc2O1,CHEMBL3127562,6.87
+Nc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1,CHEMBL3127561,6.06
+O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(Cl)c4)nn3)ccc2O1,CHEMBL3127558,7.03
+CC(C)(O)c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1,CHEMBL3127557,7.2
+O=S1(=O)C=Cc2cc(-n3cc(C4CC4)nn3)ccc2O1,CHEMBL3127555,7.22
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126804,8.7
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126821,8.55
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1cccs1,CHEMBL3126813,8.68
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126811,8.64
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126809,7.31
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126808,8.26
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126807,8.15
+NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126806,8.08
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1,CHEMBL3126805,8.16
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126820,8.28
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1,CHEMBL3126819,8.03
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126818,7.77
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126817,7.64
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(OC)cc1,CHEMBL3126816,8.0
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1,CHEMBL3126815,7.91
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126814,7.79
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3126812,7.31
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1,CHEMBL3126825,8.28
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1,CHEMBL3126824,8.15
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126823,8.24
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1,CHEMBL3126822,8.38
+NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1,CHEMBL3126810,8.37
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccccc2)cc1,CHEMBL3235165,7.41
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)Cc2ccc(Cl)cc2)cc1,CHEMBL3235166,7.48
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccccc2)cc1,CHEMBL3235167,8.02
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(Cl)cc2)cc1,CHEMBL3235168,7.77
+NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(F)cc2)cc1,CHEMBL3235169,7.89
+Cc1ccc(C(=O)CN(/C=C/C(=O)C(F)(F)F)c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3235170,7.74
+CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235171,7.6
+CCOC(=O)NC(=S)N(CC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1,CHEMBL3235172,7.6
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1,CHEMBL3235173,7.47
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)cc1,CHEMBL3235174,7.6
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1,CHEMBL3235175,7.89
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)[nH]c2=S)cc1,CHEMBL3235176,7.43
+COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]2)cc1,CHEMBL3235177,7.52
+O=C1NS(=O)(=O)c2cc([N+](=O)[O-])ccc21,CHEMBL3233386,7.02
+Nc1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL2016952,6.21
+N#[N+][N-]c1ccc2c(c1)S(=O)(=O)NC2=O,CHEMBL3233387,6.33
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4)nn3)ccc21,CHEMBL3233388,6.32
+Cc1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233389,7.05
+O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4C(F)(F)F)nn3)ccc21,CHEMBL3233390,6.35
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)cc1,CHEMBL3233391,6.47
+Cc1cc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)ccc1F,CHEMBL3233392,7.32
+COc1ccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c(C)c1,CHEMBL3233393,7.02
+NS(=O)(=O)c1cccc(-c2cn(-c3ccc4c(c3)S(=O)(=O)NC4=O)nn2)c1,CHEMBL3233394,8.07
+O=C1NS(=O)(=O)c2cc(-n3cc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc21,CHEMBL3233395,7.31
+Cc1nn(C)c2nnc(S(C)(=O)=O)nc12,CHEMBL3261396,7.05
+Cc1nn(C)c2nnc(Nc3ccccc3)nc12,CHEMBL3261397,7.09
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12,CHEMBL3233061,6.19
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN)cc3)nc12,CHEMBL3237854,7.63
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCN4CCOCC4)cc3)nc12,CHEMBL3237857,6.08
+Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12,CHEMBL3237851,7.58
+Cc1nn(C)c2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,CHEMBL3237855,7.36
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291105,7.51
+NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291106,7.57
+Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291107,7.82
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl,CHEMBL3291108,8.41
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291109,7.99
+NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291110,8.32
+Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291111,8.26
+NS(=O)(=O)c1cc(-c2nnco2)c(Cl)cc1Cl,CHEMBL3291086,8.51
+Cc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1,CHEMBL3291087,8.55
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291088,8.01
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl,CHEMBL3291089,8.18
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291090,7.86
+NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291091,7.82
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl,CHEMBL3291092,7.88
+NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl,CHEMBL3291093,7.96
+Cc1ccc(-c2nnc(-c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cc1,CHEMBL3291094,8.33
+NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)s2)c(Cl)cc1Cl,CHEMBL3291095,7.87
+NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl,CHEMBL3291096,8.15
+NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl,CHEMBL3291097,8.15
+NS(=O)(=O)c1ccc(NC(=O)Nc2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1,CHEMBL3291098,7.8
+NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291099,7.66
+NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl,CHEMBL3291100,7.72
+NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl,CHEMBL3291101,7.9
+NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc32)c(Cl)cc1Cl,CHEMBL3291102,7.59
+NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl,CHEMBL3291103,7.42
+NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)cc1Cl,CHEMBL3291104,7.12
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N,CHEMBL3298343,8.2
+CCO/C=N/c1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3298344,8.41
+N=c1c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2ncn1N,CHEMBL3298345,8.57
+N#Cc1c(N)nn2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c12,CHEMBL3298346,8.62
+CCOC(=O)c1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298347,8.57
+CCOC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298348,8.52
+CC(=O)Cc1nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn2n1,CHEMBL3298349,8.51
+CCOC(=O)n1c(=O)nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn21,CHEMBL3298350,8.59
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nnnc32)cc1,CHEMBL3298351,8.55
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2N=CN2NC(=O)CN=C32)cc1,CHEMBL3298352,7.93
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc(O)c(=O)nc32)cc1,CHEMBL3298353,6.49
+CC1=CC(C)=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=N1,CHEMBL3298354,7.3
+N#CC1C=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC1=N,CHEMBL3298355,8.51
+CCOC(=O)C1=C(N)N=C2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3N=CN2N=C1,CHEMBL3298838,8.52
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c2ncn2nc4c5ccccc5nc-4nc32)cc1,CHEMBL3298839,8.57
+CC(=O)N1C(=O)/C(=N\n2cnc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)c2=N)c2ccccc21,CHEMBL3298840,8.51
+CC(=CC(=O)c1ccccc1)Nn1cnc2c(c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c1=N,CHEMBL3297802,8.55
+CC1=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=NC(c2ccccc2)=C1,CHEMBL3297803,8.44
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@@H]1OC(C)=O,CHEMBL3343177,7.05
+CC(=O)OC[C@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O,CHEMBL3343178,7.1
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)NO)OC1,CHEMBL3343179,7.27
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)NO)OC1,CHEMBL3343180,7.36
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)NO)O[C@H]1C,CHEMBL3343181,7.33
+O=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3343322,8.05
+O=S(=O)(NO)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3343323,7.36
+O=S(=O)(NO)NC1C=C[C@H](O)CO1,CHEMBL3343324,8.1
+O=S(=O)(NO)NC1C=C[C@@H](O)CO1,CHEMBL3343325,8.05
+C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O,CHEMBL3343326,8.1
+NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1,CHEMBL2377780,7.53
+NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377781,7.97
+O=C(O)c1ccc(N2C(=O)CCC2=O)cc1,CHEMBL2377782,6.3
+NS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377783,8.59
+NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377784,8.36
+O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1,CHEMBL2377785,8.35
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL2377786,8.39
+NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL520850,8.42
+O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CHEMBL312097,8.31
+Cc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377787,8.23
+Cc1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377788,8.48
+Cc1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377789,6.46
+CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377790,8.51
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O,CHEMBL2377791,8.62
+CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O,CHEMBL2377792,6.37
+NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377793,8.49
+NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377794,8.57
+O=C(O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1,CHEMBL2377795,7.38
+NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377796,8.51
+NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377770,8.59
+O=C(O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1,CHEMBL2377771,8.36
+O=C(O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,CHEMBL2377774,7.4
+NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377775,8.23
+NS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377776,8.54
+O=C(O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1,CHEMBL2377777,7.66
+NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377778,8.34
+NS(=O)(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL2377779,8.31
+O=C(O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CHEMBL1501298,8.23
+NS(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343261,7.55
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343262,6.79
+NS(=O)(=O)c1ccc(/N=C/c2csc3ccccc23)cc1,CHEMBL3343263,6.71
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)c(F)c1,CHEMBL3343264,7.55
+NS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1,CHEMBL3343265,6.78
+NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1,CHEMBL3343266,6.95
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1,CHEMBL3343267,6.61
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(S(=O)(=O)O)o2)cc1,CHEMBL3343268,6.71
+NS(=O)(=O)c1ccc(CC/N=C/c2cccc(Br)c2O)cc1,CHEMBL3343269,6.6
+COc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)c(O)c1,CHEMBL3343270,5.73
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(Br)cc2O)cc1,CHEMBL3343271,6.97
+COc1cc([N+](=O)[O-])ccc1/C=N/CCc1ccc(S(N)(=O)=O)cc1,CHEMBL3343272,6.81
+NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1,CHEMBL3343273,7.55
+CSc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343274,7.63
+N#Cc1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3343275,7.73
+NS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1,CHEMBL3343276,5.73
+NS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1,CHEMBL3343277,6.67
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342247,6.67
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342248,6.67
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342249,8.7
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342250,8.7
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)N2CC[C@@H](OS(N)(=O)=O)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3342251,8.7
+COC(=O)[C@@H]1C[C@@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342252,8.7
+COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL3342253,6.94
+NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342254,8.7
+NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3342255,8.7
+NS(=O)(=O)OC1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,CHEMBL3342256,7.96
+NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,CHEMBL3342257,8.7
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12,CHEMBL3354142,7.06
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12,CHEMBL3354141,7.64
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12,CHEMBL3354140,7.69
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CHEMBL3354139,7.05
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1,CHEMBL3354138,7.64
+Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12,CHEMBL3354137,7.04
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3354136,7.1
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3354135,7.16
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3354134,8.01
+Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL3354133,8.09
+Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3354132,8.04
+NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL3354131,8.02
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1,CHEMBL3354130,8.01
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1,CHEMBL3354129,7.61
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1,CHEMBL3354128,8.05
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3354127,8.02
+NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1,CHEMBL3354126,7.13
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356279,6.92
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356278,6.82
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356277,6.65
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356276,7.04
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2/C=N/O)cc1,CHEMBL3356275,6.87
+NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356274,6.94
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc([N+](=O)[O-])cc1,CHEMBL3356273,6.07
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(Cl)cc1,CHEMBL3356272,6.65
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccc(F)cc1,CHEMBL3356271,6.13
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356270,6.95
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C#N)cc1,CHEMBL3356269,6.73
+N#Cc1cn(-c2nc3ccc(S(N)(=O)=O)cc3s2)nc1-c1ccccc1,CHEMBL3356268,7.09
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356267,7.22
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356266,8.55
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356265,7.2
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3356264,6.07
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C(=O)O)cc1,CHEMBL3352855,6.96
+NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356263,6.12
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1,CHEMBL3356262,5.68
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(Cl)cc4)n3)sc2c1,CHEMBL3356261,5.77
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc(F)cc4)n3)sc2c1,CHEMBL3356260,5.99
+COc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356259,6.64
+Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1,CHEMBL3356258,6.16
+NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccccc4)n3)sc2c1,CHEMBL3356257,5.76
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccccc1,CHEMBL3342486,7.2
+COc1ccc(NC(=S)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342487,6.85
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Cl)cc1,CHEMBL3342488,7.04
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1,CHEMBL3342489,7.06
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(Br)cc1,CHEMBL3342490,7.04
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(I)cc1,CHEMBL3342491,6.34
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=S)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL3342492,7.29
+Cc1ccc(-n2c(N)c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3nc2=S)cc1,CHEMBL3342493,6.79
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NS(=O)(=O)c1ccccc1,CHEMBL3342494,6.07
+Cc1ccc(S(=O)(=O)Nc2c(C#N)c(-c3ccc(Br)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3342495,6.77
+Nc1[nH]c(=O)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342496,7.61
+Nc1[nH]c(=S)nc2c1c(-c1ccc(Br)cc1)cn2-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342497,7.37
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=S)[nH]c(=S)[nH]c32)cc1,CHEMBL3342498,8.15
+CC(=S)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342499,8.22
+Cc1nc(=S)c2c(-c3ccc(Br)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2[nH]1,CHEMBL3342500,8.27
+CC(=O)CC(=O)Nc1c(C#N)c(-c2ccc(Br)cc2)cn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3342501,8.26
+N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1,CHEMBL3342502,8.28
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=O)n(C(=O)c4ccccc4)c(-c4ccccc4)nc32)cc1,CHEMBL3342503,8.19
+NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c3c(=O)n(C(=O)c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)nc32)cc1,CHEMBL3342504,6.31
+CC(C)(C)OC(=O)NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359164,8.08
+CC(C)(C)OC(=O)NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359165,8.24
+CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359166,8.11
+CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359167,8.15
+CC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359168,8.16
+NCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359169,8.06
+NCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359170,7.75
+NCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359171,7.49
+NCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359172,8.18
+NCCCCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3359173,8.19
+NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359174,8.07
+NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359175,8.14
+NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3359176,8.06
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359177,8.02
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3359178,8.1
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,7.34
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,7.38
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,6.34
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,6.97
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,6.52
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,6.86
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL897,6.44
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1,CHEMBL3311028,6.65
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1,CHEMBL3311027,6.72
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CHEMBL3311026,6.58
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CHEMBL3311025,6.61
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CHEMBL3311024,6.7
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1,CHEMBL3311023,6.67
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1,CHEMBL3310916,6.67
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,CHEMBL3310915,6.77
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1,CHEMBL3310914,6.6
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1,CHEMBL3310913,6.59
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1,CHEMBL3310912,6.63
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC)cc1,CHEMBL3310911,6.78
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1,CHEMBL3323205,7.13
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3323206,7.6
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL3323207,7.64
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3323208,7.52
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323209,7.62
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3323210,7.69
+NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CHEMBL3323211,7.41
+COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323212,7.09
+CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3323213,7.09
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329921,6.11
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329922,6.12
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329923,6.17
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1,CHEMBL3329924,7.03
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC,CHEMBL3329925,6.11
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1,CHEMBL3329926,6.38
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329927,6.21
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL562109,6.08
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1,CHEMBL3329928,6.34
+COc1cccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1,CHEMBL3329929,5.41
+COc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL3329930,6.03
+COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1,CHEMBL3329931,6.31
+Cc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL469220,7.65
+NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1,CHEMBL513184,7.59
+NS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1,CHEMBL3326401,8.52
+CCCCCc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1,CHEMBL3326402,8.3
+NS(=O)(=O)c1ccc(-n2cc(CCBr)nn2)cc1,CHEMBL3326403,8.16
+NS(=O)(=O)c1ccc(-n2cc(CCCCl)nn2)cc1,CHEMBL3326404,8.21
+NS(=O)(=O)c1ccc(-n2cc(CCCCCl)nn2)cc1,CHEMBL3326405,8.27
+COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326406,6.9
+CC(C)(C)OC(=O)NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326407,7.98
+NCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,CHEMBL3326408,7.92
+Cc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326409,7.67
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(-c3ccccc3)nn2)c(F)c1F,CHEMBL3326410,7.61
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F,CHEMBL3326411,8.82
+CCCCCc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1,CHEMBL3326412,7.41
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCBr)nn2)c(F)c1F,CHEMBL3326413,8.28
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCl)nn2)c(F)c1F,CHEMBL3326414,8.33
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F,CHEMBL3326415,8.35
+COC(=O)c1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326416,6.94
+NS(=O)(=O)c1c(F)c(F)c(-n2cc(CO)nn2)c(F)c1F,CHEMBL3326417,7.89
+CC(C)(C)OC(=O)NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326418,7.87
+NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1,CHEMBL3326419,7.98
+C=CCN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3321764,6.94
+C=CCOC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322437,6.7
+C#CCOC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322438,6.6
+CC1=CC(OCC#N)=NS(=O)(=O)O1,CHEMBL3322439,7.33
+CCOC(=O)CN1C(=O)C=C(C)OS1(=O)=O,CHEMBL3322442,7.33
+CCOC(=O)COC1=NS(=O)(=O)OC(C)=C1,CHEMBL3322443,7.37
+CC1=CC(=O)N(Cc2ccccc2[N+](=O)[O-])S(=O)(=O)O1,CHEMBL3322444,7.39
+CC1=CC(OCc2ccccc2[N+](=O)[O-])=NS(=O)(=O)O1,CHEMBL3322445,7.39
+CC1=CC(=O)N(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322446,6.57
+CC1=CC(OCc2ccccc2Br)=NS(=O)(=O)O1,CHEMBL3322448,6.6
+CC1=CC(=O)N(Cc2cccc(Br)c2)S(=O)(=O)O1,CHEMBL3322449,6.55
+CC1=CC(=O)N(Cc2ccccc2F)S(=O)(=O)O1,CHEMBL3322450,6.55
+CC1=CC(=O)N(Cc2cccc(F)c2)S(=O)(=O)O1,CHEMBL3322451,6.56
+CC1=CC(=O)N(Cc2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3322522,6.51
+CC1=CC(=O)N(CC(=O)c2ccccc2)S(=O)(=O)O1,CHEMBL3322523,8.24
+CC1=CC(OCC(=O)c2ccccc2)=NS(=O)(=O)O1,CHEMBL3322524,7.82
+CC1=CC(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)O1,CHEMBL3322525,7.77
+CC1=CC(=O)NS(=O)(=O)O1,CHEMBL1351474,5.62
+Cc1nonc1S(N)(=O)=O,CHEMBL3309352,8.1
+Cc1c(S(N)(=O)=O)no[n+]1[O-],CHEMBL3309353,8.14
+C=C1NO[N+]([O-])=C1S(N)(=O)=O,CHEMBL3309354,8.19
+NS(=O)(=O)c1nonc1-c1ccccc1,CHEMBL3309355,8.2
+NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1,CHEMBL1215508,8.15
+NS(=O)(=O)c1c(-c2ccccc2)no[n+]1[O-],CHEMBL1215509,8.13
+COc1nonc1S(N)(=O)=O,CHEMBL3309356,8.24
+CCOc1nonc1S(N)(=O)=O,CHEMBL3309357,8.18
+CCCCOc1nonc1S(N)(=O)=O,CHEMBL3309358,8.32
+CC(C)COc1nonc1S(N)(=O)=O,CHEMBL3309359,8.41
+NS(=O)(=O)c1nonc1OCc1ccccc1,CHEMBL3309360,8.24
+NS(=O)(=O)c1nonc1Oc1ccccc1,CHEMBL3309361,8.2
+NS(=O)(=O)c1ccc(-c2nonc2-c2ccccc2)cc1,CHEMBL3309362,7.2
+NS(=O)(=O)c1ccc(-c2no[n+]([O-])c2-c2ccccc2)cc1,CHEMBL3309363,7.2
+NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309364,7.24
+NS(=O)(=O)c1ccc(-c2nonc2[N+](=O)[O-])cc1,CHEMBL3309365,7.26
+NS(=O)(=O)c1ccc(-c2c([N+](=O)[O-])no[n+]2[O-])cc1,CHEMBL3309366,7.26
+NS(=O)(=O)c1ccc(-c2nonc2Oc2ccccc2)cc1,CHEMBL3309367,7.15
+NS(=O)(=O)c1ccc(-c2c(Oc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309368,7.19
+NS(=O)(=O)c1ccc(-c2nonc2Sc2ccccc2)cc1,CHEMBL3309369,7.24
+NS(=O)(=O)c1ccc(-c2c(Sc3ccccc3)no[n+]2[O-])cc1,CHEMBL3309370,5.3
+NS(=O)(=O)c1ccc(-c2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309371,7.2
+NS(=O)(=O)c1ccc(-c2c(S(=O)(=O)c3ccccc3)no[n+]2[O-])cc1,CHEMBL3309372,7.46
+NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1,CHEMBL3309373,6.96
+NS(=O)(=O)c1ccc(OC=C2NO[N+]([O-])=C2c2ccccc2)cc1,CHEMBL3309374,7.32
+NC(=O)c1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309375,7.3
+NC(=O)C1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309376,7.49
+N#Cc1nonc1COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309377,7.97
+N#CC1=[N+]([O-])ONC1=COc1ccc(S(N)(=O)=O)cc1,CHEMBL3309378,7.95
+NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309853,8.14
+NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1,CHEMBL3309854,8.19
+O=S1(=O)C=Cc2cc(-c3ccccc3)ccc2O1,CHEMBL3402833,7.22
+Cc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402834,7.11
+Cc1ccccc1-c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3402835,7.15
+O=S1(=O)C=Cc2cc(-c3ccc(F)cc3)ccc2O1,CHEMBL3402836,7.02
+O=S1(=O)C=Cc2cc(-c3cccc(F)c3)ccc2O1,CHEMBL3402837,7.99
+COc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402838,7.15
+CC(C)Oc1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402839,8.01
+O=S1(=O)C=Cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2O1,CHEMBL3402840,7.12
+CC(C)(C)c1ccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3402841,8.04
+O=S1(=O)C=Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2O1,CHEMBL3402842,7.53
+O=S1(=O)C=Cc2cc(-c3cccc(C(F)(F)F)c3)ccc2O1,CHEMBL3402843,8.01
+COC(=O)c1cccc(-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,CHEMBL3402844,8.05
+O=S1(=O)C=Cc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1,CHEMBL3402845,8.03
+CCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,CHEMBL3356722,7.81
+CCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12,CHEMBL3401462,7.41
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261387,7.42
+CCOc1ccc(S(=O)(=O)NC(C)(CO)CO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401463,7.49
+CCOc1ccc(S(=O)(=O)NC(C)(C)CO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401464,7.5
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3401465,7.5
+CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261388,7.4
+CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261389,7.61
+CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261390,7.55
+CCOc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261391,7.39
+CCOc1ccc(S(=O)(=O)N2CCCNCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261392,7.51
+CCOc1ccc(S(=O)(=O)NCCN)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261393,7.48
+CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261394,7.4
+CCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3357169,7.37
+CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2C,CHEMBL3261395,7.42
+CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402958,8.09
+CCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402959,7.88
+CCCCOc1ccc(S(N)(=O)=O)cc1,CHEMBL1338403,8.0
+C=CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402960,7.87
+C#CCOc1ccc(S(N)(=O)=O)cc1,CHEMBL3402961,8.09
+NS(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL3402962,7.75
+NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1,CHEMBL3402963,8.13
+NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1,CHEMBL3402964,9.07
+NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1,CHEMBL3402965,8.46
+NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3402966,8.89
+NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1,CHEMBL3402967,8.62
+NS(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1,CHEMBL3402968,7.67
+NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1,CHEMBL3402969,7.47
+NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1,CHEMBL3402970,7.9
+NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1,CHEMBL3402971,9.05
+NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1,CHEMBL3402972,7.99
+C#CCN(CC#C)c1ccc(S(N)(=O)=O)cc1,CHEMBL3402973,8.05
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F,CHEMBL3402974,8.16
+CN(C)CCNC(=S)S,CHEMBL3400797,7.42
+OCCCNC(=S)S,CHEMBL3400798,9.04
+OCCCCNC(=S)S,CHEMBL3400799,9.01
+OCCCCCNC(=S)S,CHEMBL3400800,8.59
+S=C(S)NC1CN2CCC1CC2,CHEMBL3400801,7.03
+S=C(S)N[C@H]1CN2CCC1CC2,CHEMBL3400802,7.14
+S=C(S)N[C@@H]1CN2CCC1CC2,CHEMBL3400803,7.08
+S=C(S)N1CCCCC1,CHEMBL3400804,9.04
+OC1CCCN(C(=S)S)C1,CHEMBL3400805,8.12
+O=C(O)C1CCCCN1C(=S)S,CHEMBL3400156,7.14
+O=C(O)C1CCCN(C(=S)S)C1,CHEMBL3400806,7.17
+O=C(O)[C@@H]1CCCN(C(=S)S)C1,CHEMBL3400807,7.38
+O=C(O)[C@H]1CCCN(C(=S)S)C1,CHEMBL3400808,7.06
+O=C(O)C1CCN(C(=S)S)CC1,CHEMBL3400809,7.11
+CC(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400810,8.02
+CC(C)(C)C(=O)NC1CCCN(C(=S)S)C1,CHEMBL3400811,9.01
+CC1COCCN1C(=S)S,CHEMBL3400812,7.26
+O=C(O)C1COCCN1C(=S)S,CHEMBL3400813,8.17
+O=C(CN1CCN(C(=S)S)CC1)NC1CCCCC1,CHEMBL3400814,7.1
+S=C(S)NCCc1ccccc1,CHEMBL3400815,7.6
+NS(=O)(=O)c1ccc(CCNC(=S)S)cc1,CHEMBL3400816,9.04
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CHEMBL3416226,7.62
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,CHEMBL3416228,7.42
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CHEMBL3416229,7.7
+CCOC1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL2408560,7.68
+NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1,CHEMBL3040927,7.53
+Cc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1,CHEMBL3416230,7.49
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)S2)cc1,CHEMBL3416235,7.85
+O=C1N=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S/C1=C/c1coc2ccccc2c1=O,CHEMBL3416237,7.61
+O=C1N=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S/C1=C/c1coc2ccccc2c1=O,CHEMBL3416240,7.59
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccccc2)cc1,CHEMBL3416241,7.64
+Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccccc3)cc2)no1,CHEMBL3416242,7.6
+NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccc(Cl)cc2)cc1,CHEMBL3416247,7.74
+COc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423252,6.64
+Cc1cccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423251,6.53
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2)cc1,CHEMBL3423250,6.66
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)cc(Br)c2O)cc1,CHEMBL3423249,6.79
+NS(=O)(=O)c1ccc(CC/N=C\c2ccccc2O)cc1,CHEMBL3421649,6.86
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Br)ccc2O)cc1,CHEMBL3423253,6.73
+Cc1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423254,6.91
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1,CHEMBL3423255,6.97
+NS(=O)(=O)c1ccc(CC/N=C\c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423256,6.64
+NS(=O)(=O)c1ccc(CC/N=C\c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423257,6.72
+CN(C)c1ccc(/C=N\CCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423258,7.41
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3423267,8.39
+CN(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423268,8.46
+NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1,CHEMBL3423259,8.41
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3423260,8.39
+NS(=O)(=O)c1ccc(CCNCc2ccccc2)cc1,CHEMBL3264980,8.37
+Cc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3423261,8.43
+COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423262,8.37
+NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1,CHEMBL3423263,8.37
+Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3423264,7.99
+NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1,CHEMBL3423265,7.81
+NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3423266,8.54
+C[N+](C)(C)c1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426529,8.02
+CC(=O)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426530,7.76
+CC(C)(C)C(=O)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426531,8.25
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1,CHEMBL3426532,8.18
+Cc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1,CHEMBL3426533,8.05
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1Br,CHEMBL3426534,8.01
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1I,CHEMBL3426535,8.04
+O=C(Cc1ccccc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426536,7.09
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccs1,CHEMBL3426537,7.53
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccco1,CHEMBL3426538,7.48
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccnc1,CHEMBL3426539,7.98
+O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccncc1,CHEMBL3426540,8.11
+COc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426541,7.38
+N#Cc1ccc2c(c1)C=CS(=O)(=O)O2,CHEMBL3426542,7.47
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC)cc1,CHEMBL3586211,6.82
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCC(C)C2)cc1,CHEMBL3586212,6.73
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCC(C)CC2)cc1,CHEMBL3586213,5.69
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1,CHEMBL3586214,6.67
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1,CHEMBL3586215,5.9
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1,CHEMBL3586216,6.96
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,CHEMBL3586217,7.69
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1,CHEMBL3586218,7.21
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1,CHEMBL3586219,5.69
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1,CHEMBL3586220,7.63
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3586221,6.61
+CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585758,7.37
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1,CHEMBL3585757,6.39
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(Cl)c1,CHEMBL3585756,6.38
+CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585755,7.58
+CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585754,7.56
+CCOc1ccc(S(=O)(=O)NC[C@@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585753,7.45
+CCOc1ccc(S(=O)(=O)NC[C@H](C)O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585752,7.86
+CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585751,7.61
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585750,7.6
+CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CHEMBL3585749,7.54
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CHEMBL3585748,7.53
+Nc1cc(=O)nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)[nH]1,CHEMBL3594404,6.6
+NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(=O)cc(O)[nH]3)sc2c1,CHEMBL3594405,6.55
+Nc1nc(SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)nc2n[nH]cc12,CHEMBL3594406,6.76
+Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594407,6.61
+Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)n2N)cc1Cl,CHEMBL3594408,7.17
+Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594409,6.87
+NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1,CHEMBL3594410,8.32
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1N,CHEMBL3594411,6.56
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(N)c1C#N,CHEMBL3594412,6.53
+Nc1ncnc2c1cnn2CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CHEMBL3594413,8.55
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2ncnc(N)c12,CHEMBL3594414,8.57
+NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c(=O)nc[nH]c43)sc2c1,CHEMBL3594415,8.39
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2[nH]cnc(=O)c12,CHEMBL3594416,8.37
+N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1NC(=S)Nc1ccccc1,CHEMBL3594417,8.55
+CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(NC(=S)Nc2ccccc2)c1C#N,CHEMBL3594418,8.41
+NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(S(N)(=O)=O)cc4s3)sc2c1,CHEMBL3594419,8.68
+NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(C(=S)Nc4nc5ccc(S(N)(=O)=O)cc5s4)CC3)sc2c1,CHEMBL3594420,8.59
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)NCCN/C(=N/c1nc2ccc(S(N)(=O)=O)cc2s1)SC,CHEMBL3594421,8.6
+CS/C(=N\c1nc2ccc(S(N)(=O)=O)cc2s1)N1CCN(/C(=N/c2nc3ccc(S(N)(=O)=O)cc3s2)SC)CC1,CHEMBL3594422,8.64
+CCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL1412304,4.38
+CCCCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL3593604,4.41
+CC(C)(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL3593605,5.3
+Cc1ccc(-c2cc(C(=O)O)[nH]n2)c(C)c1,CHEMBL1532279,4.35
+Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1C,CHEMBL1570910,4.32
+Cc1cc(C)c(-c2cc(C(=O)O)[nH]n2)cc1C,CHEMBL3593606,4.63
+Cc1cc(C)c(C)c(-c2cc(C(=O)O)[nH]n2)c1C,CHEMBL3593607,5.3
+CC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)c(C(C)C)c1,CHEMBL3593609,4.8
+CC(C)c1cc(C(C)C)c(-c2cc(C(=O)O)[nH]n2)c(C(C)C)c1,CHEMBL3593610,4.41
+O=C(O)c1cc(-c2cccc(Br)c2)n[nH]1,CHEMBL3593799,4.63
+COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,CHEMBL1532040,4.31
+COc1cc(C)c(-c2cc(C(=O)O)[nH]n2)cc1C,CHEMBL3593801,4.65
+CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)NCCCCCOS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3601602,8.7
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1,CHEMBL3601881,6.56
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1,CHEMBL3601882,6.45
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CCCCC2)cc1,CHEMBL3601883,6.56
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1,CHEMBL3601884,6.71
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1,CHEMBL3601885,6.47
+N#Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601886,7.53
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3F)n2C2CCCCC2)cc1,CHEMBL3601887,7.07
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1,CHEMBL3601888,7.53
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1,CHEMBL3601889,7.49
+Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601890,7.64
+COc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1,CHEMBL3601891,7.78
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1,CHEMBL3601892,6.82
+NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1,CHEMBL3601893,6.45
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL3601530,7.98
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3601531,7.95
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3601532,7.21
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3601533,7.98
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601534,9.04
+Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1C,CHEMBL3601535,7.49
+COc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1,CHEMBL3601536,7.47
+COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1,CHEMBL3601537,6.94
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(Br)cc4)n3)CC2)cc1,CHEMBL3601538,6.94
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1,CHEMBL3601539,7.61
+NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cc5ccccc5o4)n3)CC2)cc1,CHEMBL3601540,8.17
+O=C(Nc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL3601541,6.95
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,CHEMBL3601542,6.92
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1,CHEMBL3601543,7.43
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL3601544,7.09
+Cc1cccc(N2CCN(C(=O)Nc3ccc(O)cc3)CC2)c1,CHEMBL3601545,6.26
+CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601464,7.17
+CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601463,7.51
+CC(=O)N1N=C(c2ccc(F)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601462,8.16
+COc1ccc(C2=NN(C(C)=O)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601461,7.24
+CC(=O)N1N=C(c2ccc(C)cc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601460,7.17
+CC(=O)N1N=C(c2ccccc2)CC1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl,CHEMBL3601459,7.2
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601395,7.35
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601394,7.48
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601393,7.35
+COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601392,7.28
+Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3c(C)nn(-c4ccc(S(N)(=O)=O)cc4)c3Cl)C2)cc1,CHEMBL3601391,7.15
+Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1,CHEMBL3601390,7.15
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1,CHEMBL3604417,7.82
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1,CHEMBL3604416,8.72
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1,CHEMBL3604415,7.21
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(=O)O)cc1,CHEMBL3604414,6.69
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1,CHEMBL3604413,7.59
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1,CHEMBL3604412,7.49
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CHEMBL3604411,7.51
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1,CHEMBL3604410,7.49
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1,CHEMBL3604409,7.57
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1,CHEMBL3604408,7.6
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL3604407,6.68
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1,CHEMBL3604406,7.59
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)O)cc1,CHEMBL3604405,7.57
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1,CHEMBL3604404,7.66
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(N)=O)cc1,CHEMBL3604515,7.7
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CS)C(N)=O)cc1,CHEMBL3604514,7.55
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1,CHEMBL3604513,7.7
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL3604512,7.57
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1,CHEMBL3604511,7.64
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1,CHEMBL3604510,7.68
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1,CHEMBL3604509,8.59
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL3604420,7.64
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1,CHEMBL3604419,7.6
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1,CHEMBL3604418,6.82
+Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1,CHEMBL3608870,7.64
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1,CHEMBL3608871,8.49
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)cc1,CHEMBL3608872,8.19
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1,CHEMBL3608873,8.77
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1,CHEMBL3608874,8.8
+Cc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1,CHEMBL3608875,6.56
+Cc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608876,6.5
+Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608877,6.55
+COc1ccc(-c2cnc(C)o2)cc1S(N)(=O)=O,CHEMBL3608878,6.56
+COc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O,CHEMBL3608879,6.36
+COc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O,CHEMBL3608880,8.51
+Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608881,7.37
+Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608882,8.43
+COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O,CHEMBL3608883,8.39
+COc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O,CHEMBL3608884,8.35
+Cc1ncc(-c2ccc(S(N)(=O)=O)s2)o1,CHEMBL3608885,7.98
+NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1,CHEMBL3608886,6.91
+NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1,CHEMBL3608887,6.81
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1,CHEMBL3608888,7.73
+NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1,CHEMBL3608889,7.44
+Cc1ncc(-c2csc(S(N)(=O)=O)c2)o1,CHEMBL3608890,7.58
+NS(=O)(=O)c1cc(-c2cnc(C3CC3)o2)cs1,CHEMBL3608891,7.88
+NS(=O)(=O)c1cc(-c2cnc(C3CCC3)o2)cs1,CHEMBL3608892,7.59
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1,CHEMBL3608893,7.82
+NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1,CHEMBL3608894,7.55
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1,CHEMBL3609195,6.36
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL1736901,6.34
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CHEMBL3609196,7.4
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL3609197,8.06
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CHEMBL3609198,8.0
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL3609199,6.63
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CHEMBL3609200,6.49
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,CHEMBL3609201,6.57
+COc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609475,6.63
+COc1cccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1,CHEMBL3609476,7.4
+COc1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL1714980,6.39
+CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CHEMBL3609477,6.89
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,CHEMBL3609478,6.31
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1,CHEMBL3609479,6.55
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,CHEMBL3609480,6.29
+N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CHEMBL3609481,6.69
+NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,CHEMBL3609482,6.87
+NS(=O)(=O)ONC(=O)OCc1ccccc1,CHEMBL3609430,7.24
+NOS(=O)(=O)NC(=O)OCc1ccccc1,CHEMBL3609431,7.11
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O,CHEMBL3609432,7.05
+CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O,CHEMBL3609433,7.12
+CC(=O)O[C@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609434,7.12
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)OC1,CHEMBL3609435,7.07
+CC(=O)O[C@@H]1C=CC(NS(=O)(=O)ON)O[C@H]1C,CHEMBL3609436,7.07
+NOS(=O)(=O)NC1C=C[C@H](O)[C@@H](CO)O1,CHEMBL3608320,7.07
+NOS(=O)(=O)NC1C=C[C@@H](O)[C@@H](CO)O1,CHEMBL3609437,7.21
+NOS(=O)(=O)NC1C=C[C@H](O)CO1,CHEMBL3609438,7.04
+NOS(=O)(=O)NC1C=C[C@@H](O)CO1,CHEMBL3609439,7.13
+C[C@@H]1OC(NS(=O)(=O)ON)C=C[C@H]1O,CHEMBL3609440,7.21
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613283,7.07
+CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H]1OC(C)=O,CHEMBL3613284,6.87
+CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H]1OC(C)=O,CHEMBL3613285,6.81
+NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1,CHEMBL3613286,6.61
+NS(=O)(=O)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL3613287,6.67
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1,CHEMBL3613783,8.03
+NS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(O)ccc32)cc1,CHEMBL3613782,7.38
+COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL3613781,8.19
+NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1,CHEMBL3613780,8.12
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1,CHEMBL3613779,7.55
+COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2,CHEMBL3613778,7.57
+NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1,CHEMBL3613777,8.3
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2,CHEMBL3613776,8.21
+NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1,CHEMBL3613775,7.77
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])cc1,CHEMBL3623631,5.99
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1,CHEMBL3623632,6.38
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(N)cc1,CHEMBL3623633,6.0
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(N)c1,CHEMBL3623634,6.04
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL3623635,6.24
+Cc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623636,7.0
+COc1ccc(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1,CHEMBL3623637,6.36
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL3623638,5.95
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)c(C)c1,CHEMBL3623639,7.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL3623640,6.55
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccccc2)c1,CHEMBL3623641,6.96
+Cc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623642,7.0
+COc1ccc(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1,CHEMBL3623643,6.1
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1,CHEMBL3623644,6.6
+Cc1cc(C)c(S(=O)(=O)Nc2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)c(C)c1,CHEMBL3623645,7.05
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,CHEMBL3623646,6.09
+O=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1,CHEMBL3623663,7.855
+O=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1,CHEMBL3623664,7.6
+O=c1ccc2ccc(OCc3cn(-c4cccc(Cl)c4)nn3)cc2o1,CHEMBL3623665,7.51
+O=c1ccc2ccc(OCc3cn(-c4cccc(Br)c4)nn3)cc2o1,CHEMBL3623666,7.56
+COc1cccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1,CHEMBL3623667,7.63
+O=c1ccc2ccc(OCc3cn(-c4ccc(F)cc4)nn3)cc2o1,CHEMBL3623668,7.62
+O=c1ccc2ccc(OCc3cn(-c4ccc(C(F)(F)F)cc4)nn3)cc2o1,CHEMBL3623669,7.64
+O=c1ccc2ccc(OCc3cn(-c4ccc(O)cc4)nn3)cc2o1,CHEMBL3623670,7.57
+O=C(O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623671,7.54
+NS(=O)(=O)c1ccc(-n2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1,CHEMBL3623672,7.84
+Cc1cc(=O)oc2cc(-n3cc(COc4ccc5ccc(=O)oc5c4)nn3)ccc12,CHEMBL3623673,7.64
+Cc1cc(=O)oc2cc(-n3cc(COc4ccccc4)nn3)ccc12,CHEMBL3623674,7.48
+Cc1cc(=O)oc2cc(-n3cc(CSc4ccccc4)nn3)ccc12,CHEMBL3623675,7.53
+Cc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12,CHEMBL3623676,7.46
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,6.03
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,6.01
+COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O,CHEMBL457076,5.99
+COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,CHEMBL481245,6.09
+COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O,CHEMBL3628210,6.0
+O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1,CHEMBL1095574,6.07
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,6.15
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,6.09
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2-c2ccccc2)cc1,CHEMBL3633380,8.13
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc2-c2ccccc2)cc1,CHEMBL3633381,7.7
+Cc1ccc2c(c1)/C(=N/NC(=O)c1cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n1)C(=O)N2,CHEMBL3633382,8.33
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633383,7.28
+NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2-c2ccccc2)cc1,CHEMBL3633379,8.06
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)c2-c2ccccc2)cc1,CHEMBL3633384,8.01
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)c2-c2ccccc2)cc1,CHEMBL3633385,8.11
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-c1ccccc1)C(=O)N2,CHEMBL3633386,8.48
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c2-c2ccccc2)cc1,CHEMBL3633547,7.8
+NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2-c2ccccc2)cc1,CHEMBL3633548,7.87
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633549,8.55
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633550,8.6
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633551,8.03
+COc1ccc2c(c1)/C(=N/NC(=O)c1cnn(-c3ccc(S(N)(=O)=O)cc3)c1N)C(=O)N2,CHEMBL3633552,8.46
+Nc1c(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633553,8.13
+Nc1c(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cnn1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3633554,7.7
+Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2,CHEMBL3633555,8.96
+COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632825,8.03
+CC(C)(C)OC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632826,7.15
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3632827,8.44
+NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632828,6.08
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)NCCO)cc2)cc1,CHEMBL3632829,8.08
+NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3632830,8.02
+Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3632831,6.425
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,CHEMBL3632832,7.2
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1,CHEMBL3632833,8.05
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1,CHEMBL3632834,6.28
+COC(=O)c1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632835,7.37
+COC(=O)c1ccc(C(O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632836,6.15
+COC(=O)c1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632837,7.12
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632838,8.07
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632839,6.35
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL3632840,7.5
+NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632841,7.07
+NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632842,6.17
+NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL3632843,6.15
+Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632844,8.04
+Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3632845,8.22
+C=CCNC(=S)NNC(=O)c1ccccc1O,CHEMBL3633783,6.12
+O=C(NNC(=S)NCc1ccccc1)c1ccccc1O,CHEMBL3633782,6.01
+Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1,CHEMBL3633781,5.9
+O=C(NNC(=S)Nc1ccccc1)c1ccccc1O,CHEMBL3633780,5.91
+CCNC(=S)NNC(=O)c1ccccc1O,CHEMBL3633779,6.06
+NC(=S)NNC(=O)c1ccccc1O,CHEMBL3633778,6.0
+C=CCNC(=S)NNC(=O)c1ccncc1,CHEMBL1479002,6.01
+O=C(NNC(=S)NCc1ccccc1)c1ccncc1,CHEMBL3633777,6.02
+Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1,CHEMBL3127420,5.95
+O=C(NNC(=S)Nc1ccccc1)c1ccncc1,CHEMBL1412565,6.5
+CCNC(=S)NNC(=O)c1ccncc1,CHEMBL1442294,6.05
+NC(=S)NNC(=O)c1ccncc1,CHEMBL3633776,6.01
+Cc1ncc([N+](=O)[O-])n1CCOS(=O)(=O)ON,CHEMBL3654431,8.08
+Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON,CHEMBL3654432,7.69
+NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1,CHEMBL3741011,7.59
+NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1,CHEMBL3741975,8.09
+NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1,CHEMBL3740300,7.43
+CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc(S(N)(=O)=O)c5)nn4)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CHEMBL3740484,7.61
+O=S(=O)(O)NC1CCCCC1,CHEMBL273977,7.09
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C,CHEMBL3752037,6.65
+COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C,CHEMBL3754636,6.72
+COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752328,7.55
+COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C,CHEMBL3752046,7.59
+COC(=O)CCNS(=O)(=O)NCC(C)C,CHEMBL3752852,7.5
+CCCCCCNS(=O)(=O)NCCC(=O)OC,CHEMBL3754185,7.01
+COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1,CHEMBL3754060,6.93
+COC(=O)CCNS(=O)(=O)NCCc1ccccc1,CHEMBL3752390,7.58
+COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1,CHEMBL3752196,7.53
+COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2,CHEMBL3754723,7.52
+Cc1ccc2c(n1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752481,8.09
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2cccnc2SC3)cc1,CHEMBL3754807,7.56
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752163,8.06
+COc1ccc2c(c1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752794,7.65
+NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1,CHEMBL3753359,8.15
+Cc1ccc2c(n1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3753066,7.03
+CN(CC(=O)O)c1ccc2c(c1)-c1cccnc1SC2,CHEMBL3752729,7.17
+COc1ccc2c(c1)SCc1ccc(NCC[C@H](N)C(=O)O)cc1-2,CHEMBL3753610,6.47
+COc1ccc2c(c1)SCc1ccc(NCC(=O)O)cc1-2,CHEMBL3753865,7.27
+COc1ccc2c(c1)SCc1ccc(N(C)CC(=O)O)cc1-2,CHEMBL3752864,7.39
+Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3752602,8.11
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1,CHEMBL3753927,8.2
+COc1ccc2c(c1)SCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2,CHEMBL3751874,8.13
+NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1,CHEMBL3752378,8.21
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,CHEMBL3760079,6.02
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1,CHEMBL3758997,6.44
+NS(=O)(=O)c1ccc(/N=C/c2ccccc2)cc1,CHEMBL408619,6.34
+Cc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758347,6.33
+COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL271911,6.05
+NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1,CHEMBL3758993,6.59
+Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL429915,7.63
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1,CHEMBL3759717,7.32
+NS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3758730,7.44
+NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758702,7.45
+CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL270671,7.38
+NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1,CHEMBL3758614,8.54
+NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1,CHEMBL3759587,8.64
+NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,CHEMBL2104196,8.66
+Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O,CHEMBL3758537,8.64
+COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL1579806,8.66
+NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1,CHEMBL3760099,8.59
+Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3758188,8.68
+NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1,CHEMBL248691,8.62
+NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3759307,8.6
+NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1,CHEMBL3758586,8.66
+CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3759945,8.62
+Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O,CHEMBL1489759,6.66
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1C(F)(F)F,CHEMBL3759443,6.21
+Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3758327,6.74
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1,CHEMBL3759629,7.72
+Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CHEMBL3759375,6.63
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1,CHEMBL3760060,7.29
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1,CHEMBL3759608,6.27
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cl)cc1,CHEMBL3759331,7.72
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Br)cc1,CHEMBL3758923,7.66
+O=C1c2ccccc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1,CHEMBL3759882,5.93
+COc1cccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CHEMBL3759447,5.8
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1,CHEMBL1391313,7.64
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1Cl,CHEMBL1472681,6.72
+CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1,CHEMBL3759099,6.58
+CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1,CHEMBL3758373,6.62
+CC1=CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3758420,6.68
+COc1cccc(C(=O)CN2C(=O)C=C(C)OS2(=O)=O)c1,CHEMBL3760047,6.79
+CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1,CHEMBL3759518,6.71
+CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1,CHEMBL3759567,5.61
+CC1=CC(=O)N(CC(=O)c2ccc(C#N)cc2)S(=O)(=O)O1,CHEMBL3759876,7.57
+CC1=CC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)O1,CHEMBL3758428,7.59
+CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1,CHEMBL3760113,6.58
+O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-],CHEMBL3758979,7.74
+O=C(O)CN1C(=O)c2ccccc2C1=O,CHEMBL2429920,6.65
+O=C1NCc2ccccc21,CHEMBL79350,6.76
+NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1,CHEMBL3759678,7.41
+S=c1ccc2ccccc2o1,CHEMBL3759409,5.17
+O=c1ccc2ccccc2s1,CHEMBL3760092,6.01
+S=c1ccc2ccccc2s1,CHEMBL3759932,4.71
+C#CCOc1ccc2ccc(=O)oc2c1,CHEMBL308819,5.87
+C#CCOc1ccc2ccc(=S)oc2c1,CHEMBL3758522,4.38
+S=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1,CHEMBL3758827,8.4
+C#CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL3121782,6.08
+C#CCCCOc1ccc2ccc(=S)oc2c1,CHEMBL3760055,6.66
+NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CHEMBL3765353,8.31
+Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3765191,6.8
+Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3764707,6.77
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3765561,6.62
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3763581,8.3
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3764098,6.71
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765057,6.68
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3765409,6.63
+Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3765390,6.7
+COc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764657,6.76
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1,CHEMBL3589744,6.66
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1,CHEMBL3589808,6.63
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1,CHEMBL3589200,6.62
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1,CHEMBL3765128,6.72
+NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1,CHEMBL3763750,7.83
+Cc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764056,7.78
+COc1ccc2c(c1)/C(=N/c1ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2,CHEMBL3764810,8.07
+NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3764182,9.68
+Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3764580,7.7
+CC(C)c1ccccc1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3763192,6.68
+NS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1,CHEMBL3763914,9.66
+NS(=O)(=O)c1ccc(-c2cccc(C=O)c2)cc1,CHEMBL3765495,7.01
+COC(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763795,6.8
+Nc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1,CHEMBL3763967,6.9
+N#Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3763508,6.64
+NS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1,CHEMBL3763884,6.67
+COc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CHEMBL3764506,6.59
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1,CHEMBL3764147,6.65
+NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1,CHEMBL3765255,6.62
+NS(=O)(=O)c1ccc(-c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)cc1,CHEMBL3763625,6.56
+NS(=O)(=O)c1ccc(-c2cccnc2)cc1,CHEMBL3763387,7.11
+NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1,CHEMBL3764628,9.74
+NS(=O)(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1,CHEMBL3764718,9.77
+NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1,CHEMBL3764921,6.59
+NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CHEMBL3765197,9.62
+NS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1,CHEMBL3764569,7.0
+NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1,CHEMBL3764340,6.91
+COc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc2c1,CHEMBL3765726,6.81
+NS(=O)(=O)c1ccc(-c2cc3ccccc3o2)cc1,CHEMBL3763167,9.43
+NS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1,CHEMBL3763841,9.68
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Cl)cccc3c2=O)cc1,CHEMBL3763168,7.36
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1,CHEMBL3763861,6.8
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Cl)cc3c2=O)cc1,CHEMBL3763880,7.46
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(Br)cccc3c2=O)cc1,CHEMBL3765244,8.33
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(Br)ccc3c2=O)cc1,CHEMBL3764181,6.79
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,CHEMBL3765404,6.56
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(I)cccc3c2=O)cc1,CHEMBL3765033,7.84
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3c(F)cccc3c2=O)cc1,CHEMBL3765739,7.34
+NS(=O)(=O)c1ccc(-n2c(=S)[nH]c3cc(F)ccc3c2=O)cc1,CHEMBL3763607,8.29
+Cc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3765657,7.45
+Cc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3765745,7.79
+Cc1cc(C)c2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764536,7.76
+COc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12,CHEMBL3763255,8.29
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1,CHEMBL3764423,7.35
+COc1ccc2[nH]c(=S)n(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,CHEMBL3764087,8.43
+COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1OC,CHEMBL3765532,7.31
+COc1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c(OC)c1OC,CHEMBL3763877,7.3
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805263,7.7
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3805601,7.55
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1,CHEMBL3804879,7.67
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805080,7.54
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805133,7.61
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806010,7.59
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805723,7.66
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805545,7.69
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3806081,7.7
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804902,8.64
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3806054,8.6
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3804909,7.58
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805892,8.63
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3805886,7.55
+NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3806068,7.64
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CHEMBL3805861,7.62
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1,CHEMBL3805418,7.6
+NS(=O)(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,CHEMBL3804869,7.63
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12,CHEMBL2316106,7.36
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4oc3=O)cn12,CHEMBL2316107,7.94
+NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12,CHEMBL2316108,7.6
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O,CHEMBL3805222,7.23
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Cl)ccc2oc1=O,CHEMBL3805906,8.63
+C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O,CHEMBL3805919,7.63
+NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809698,8.24
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(Cl)cc3)S2)cc1,CHEMBL3809527,8.14
+NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=N/Nc3ccc(C(=O)O)cc3)S2)cc1,CHEMBL3809540,8.19
+N=C(N)NS(=O)(=O)c1ccc(N/N=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1,CHEMBL3809123,8.07
+NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1,CHEMBL3808876,8.14
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)cs2)cc1,CHEMBL3808746,8.06
+NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1,CHEMBL3809207,8.25
+NS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1,CHEMBL3809959,8.17
+NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1,CHEMBL3808852,7.53
+N#Cc1c(-c2ccccc2)[nH]c(NNc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1=O,CHEMBL3810023,8.19
+Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613534,8.12
+Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809267,7.63
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1,CHEMBL3809038,7.6
+COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613544,7.31
+Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3810298,7.31
+Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809848,7.26
+c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613514,7.25
+Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3613524,7.19
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3808553,7.15
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1,CHEMBL3808953,7.13
+COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1,CHEMBL3809966,6.26
+NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)n2)cc1,CHEMBL3809086,6.19
+N#Cc1c(-c2ccc(Cl)cc2)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1=O,CHEMBL2382337,8.07
+CCC(Sc1nc(=O)c(C#N)c(-c2cccc(OC)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382405,7.62
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382402,7.72
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)cc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382401,8.01
+CC(Sc1nc(=O)c(C#N)c(-c2ccc(Cl)c(F)c2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CHEMBL2382403,7.43
+Nc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1,CHEMBL3818845,5.09
+Nc1ccccc1S(=O)(=O)N[N+](=O)[O-],CHEMBL3819173,6.38
+CN(C)c1ccc(S(=O)(=O)N[N+](=O)[O-])cc1,CHEMBL3819628,5.55
+NCc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1,CHEMBL3819545,5.22
+N#CCNc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1,CHEMBL3818392,5.7
+Nc1cc(S(=O)(=O)N[N+](=O)[O-])cc([N+](=O)[O-])c1O,CHEMBL3818221,5.06
+Nc1nnc(S(=O)(=O)N[N+](=O)[O-])s1,CHEMBL3819458,6.08
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,7.91
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,8.77
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,8.6
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,8.32
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,7.62
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,8.02
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,8.54
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,8.52
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,8.57
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,7.89
diff --git a/chembl_200/CHEMBL3602.csv b/chembl_200/CHEMBL3602.csv
new file mode 100644
index 0000000000000000000000000000000000000000..933ffbd3ecd38cbc11ec13104be82ee1add4c585
--- /dev/null
+++ b/chembl_200/CHEMBL3602.csv
@@ -0,0 +1,538 @@
+COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,CHEMBL52440,5.29
+CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1,CHEMBL74305,7.23
+CCN(CC)CCOCCOC(=O)C(C)c1ccccc1,CHEMBL309172,7.4
+CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1,CHEMBL451542,7.47
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1,CHEMBL74736,7.47
+O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73017,7.49
+O=C(NCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL307668,7.49
+CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL73501,7.57
+CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL75217,7.66
+O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,CHEMBL307628,7.41
+CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1,CHEMBL72506,7.57
+CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1,CHEMBL72219,7.62
+CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CC1,CHEMBL73762,7.35
+CCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1,CHEMBL440686,6.67
+CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1,CHEMBL308707,6.05
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL20377,9.47
+O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1,CHEMBL305881,7.36
+c1ccc(CCCCCNCCCCc2ccccc2)cc1,CHEMBL20153,8.7
+C=CCN1CCC2c3cc(O)ccc3CC1C2C,CHEMBL147585,7.17
+C[C@H](Cc1ccccc1)NCc1ccccc1,CHEMBL1907644,6.99
+C[C@H](Cc1ccccc1)NCCCc1ccccc1,CHEMBL20626,7.85
+C[C@H](Cc1ccccc1)NCCOc1ccccc1,CHEMBL1907648,7.49
+CC(Cc1ccccc1)NCCCCc1ccccc1,CHEMBL12047,8.41
+C[C@@H](Cc1ccccc1)NCCc1ccccc1,CHEMBL20804,8.32
+C[C@H](Cc1ccccc1)NCC1CC1,CHEMBL1907645,6.18
+C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1,CHEMBL20302,7.8
+C[C@H](Cc1ccccc1)NCCc1ccccc1,CHEMBL278585,7.34
+C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1,CHEMBL1907647,7.14
+CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1,CHEMBL521582,8.99
+OC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,CHEMBL60859,6.41
+c1ccc(CCN2CCN(c3ccccn3)CC2)cc1,CHEMBL143950,6.49
+CC1CCN(CCCc2ccccc2)CC1,CHEMBL357431,8.47
+c1ccc(CCCN2CCc3ccccc3C2)cc1,CHEMBL145921,7.86
+c1ccc(CCCN2CCCCC2)cc1,CHEMBL148108,6.84
+CC1CCCN(CCCc2ccccc2)C1,CHEMBL146239,8.28
+CC1CCN(CCc2ccccc2)CC1,CHEMBL343237,7.68
+CC1CCCN(CCc2ccccc2)C1,CHEMBL144552,8.38
+c1ccc(CCN2CCc3ccccc3C2)cc1,CHEMBL146238,8.23
+c1ccc(CCN2CCCCC2)cc1,CHEMBL75228,7.362999999999999
+c1ccc(CCCN2CCN(c3ccccn3)CC2)cc1,CHEMBL145867,7.082999999999999
+COc1cccc2c1CCCC2CCCN1CCN(Cc2ccccc2)CC1,CHEMBL54020,7.59
+COc1cccc2c1CCCC2CCCCN1CCN(C2=NCCCC2)CC1,CHEMBL50239,6.4
+c1ccc2c(c1)CCCC2CCCN1CCN(C2=NCCCC2)CC1,CHEMBL300408,6.95
+O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,CHEMBL346389,6.64
+CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL147152,4.47
+OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL358579,5.7
+COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL141209,5.46
+CCOC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148236,4.64
+OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL357179,5.6
+OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL434067,5.68
+N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL147151,6.12
+N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148276,5.8
+OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL137990,6.29
+OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL144662,5.07
+CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL147093,5.41
+Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,CHEMBL81602,7.19
+CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL358541,4.98
+COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL138809,5.89
+N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148289,5.33
+OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL138533,6.12
+CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL148009,5.15
+N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL147316,5.78
+CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL344348,5.36
+CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL148054,5.17
+O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL342351,5.0
+O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL95857,6.9
+O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL50880,6.72
+O[C@@H]1C[C@H]2CCCN(C/C=C/I)[C@@H]2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL95701,6.44
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL20730,7.58
+CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL305187,8.505
+COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL141278,6.51
+OC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL138103,7.08
+COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL138458,6.51
+Cc1ccccc1NC(=N)Nc1ccccc1C,CHEMBL282433,6.92
+c1ccc(COC2Cc3ccccc3C3(CCN(Cc4ccccc4)CC3)O2)cc1,CHEMBL140030,5.0
+COC1Cc2ccccc2C2(CCN(C/C=C/c3ccccc3)CC2)O1,CHEMBL138457,5.4
+c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1,CHEMBL138083,7.0
+O=C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL138286,5.94
+OC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL138560,6.97
+C1=Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL137979,6.52
+COC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL141743,6.39
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL343793,5.84
+CCOC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL138102,5.53
+C[C@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1,CHEMBL2112788,6.71
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1,CHEMBL2112784,6.45
+C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1,CHEMBL2112791,5.78
+C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)N1,CHEMBL2112789,6.17
+C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112787,6.74
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C,CHEMBL2112760,6.64
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,6.52
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1,CHEMBL2112783,6.84
+C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1,CHEMBL314726,5.7
+Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL281594,6.94
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,7.625
+C[C@]12N[C@H](Cc3ccccc31)c1ccccc12,CHEMBL284237,4.23
+CCCN(CCC)C1CCc2cccc(O)c2C1,CHEMBL56,5.28
+O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccccc1,CHEMBL354210,7.05
+O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(F)cc1,CHEMBL368061,6.72
+O=C(CCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(F)cc1,CHEMBL366388,7.52
+O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,CHEMBL49,7.32
+CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCCC1,CHEMBL356688,9.77
+CCCN(C/C=C/I)C1CCc2cc(O)ccc2C1,CHEMBL336851,7.55
+CCCN(C/C=C/I)C1COc2ccc(O)cc2C1,CHEMBL138015,6.31
+CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1,CHEMBL110239,8.49
+CCCN(CCC)C1CCc2ccc(O)cc2C1,CHEMBL285755,7.63
+CCCN(C/C=C/I)C1CCc2c(O)cccc2C1,CHEMBL263282,5.91
+Oc1ccc2c(c1)CC(NC/C=C/I)CC2,CHEMBL336326,8.77
+CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1,CHEMBL128890,5.33
+CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC,CHEMBL128930,5.28
+CCN(CC)CCNC(=O)c1cc(OC)ccc1I,CHEMBL339009,6.4
+Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,CHEMBL61479,8.33
+C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1,CHEMBL86830,5.93
+O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,CHEMBL160817,6.74
+COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,CHEMBL159022,6.83
+CC1C2Cc3ccc(NS(C)(=O)=O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL317354,5.72
+CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1,CHEMBL101607,6.475
+CC1C2Cc3ccc(I)cc3C1(C)CCN2Cc1ccccc1,CHEMBL100789,5.69
+CC(C)=CCN1CCC2(C)c3cc(F)ccc3CC1C2C,CHEMBL103157,7.05
+CC(C)CCN1CCC2(C)c3cc(F)ccc3CC1C2C,CHEMBL103156,7.25
+CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1,CHEMBL276078,6.395
+CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1,CHEMBL102406,6.08
+CC(C)=CCN1CCC2(C)c3ccccc3CC1C2C,CHEMBL330601,6.53
+CC1C2Cc3ccc(N(C)C)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103816,6.59
+CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1,CHEMBL99854,6.3
+CC(=O)Nc1ccc2c(c1)C1(C)CCN(Cc3ccccc3)C(C2)C1C,CHEMBL419343,5.85
+CC(C)=CCN1CCC2(C)c3cc(O)c(I)cc3CC1C2C,CHEMBL419161,6.84
+CC1C2Cc3cc(Cl)c(O)c(Cl)c3C1(C)CCN2Cc1ccccc1,CHEMBL103662,5.66
+CC1C2Cc3cc(Br)c(O)c(Br)c3C1(C)CCN2Cc1ccccc1,CHEMBL328608,5.7
+CC(C)=CCN1CCC2(C)c3c(ccc(O)c3Br)CC1C2C,CHEMBL103458,6.55
+CC1C2Cc3cc(Br)c(O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103715,5.91
+CC1C2Cc3cc(I)c(O)cc3C1(C)CCN2Cc1ccccc1,CHEMBL103707,6.22
+CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1,CHEMBL100463,6.12
+CC(C)=CCN1CCC2(C)c3c(cc(Br)c(O)c3Br)CC1C2C,CHEMBL102847,6.68
+CC(C)=CCN1CCC2(C)c3c(ccc(O)c3Cl)CC1C2C,CHEMBL318954,5.3
+CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1,CHEMBL103455,6.46
+CCCSc1nsnc1C1=CCN(C)CC1,CHEMBL167932,6.4
+Fc1cccc(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)c1,CHEMBL46396,8.48
+N#Cc1ccc(OCC2CCN(Cc3ccccc3I)CC2)cc1,CHEMBL44988,8.03
+FCCCN1CCC(COc2c(F)c(F)c(F)c(F)c2F)CC1,CHEMBL44304,8.77
+Ic1ccc(OCC2CCN(CC3CC3)CC2)cc1,CHEMBL44739,9.3
+Fc1ccc(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)cc1,CHEMBL287876,8.44
+FCCN1CCC(COc2ccc(I)cc2)CC1,CHEMBL45168,9.08
+N#Cc1ccc(OCC2CCN(CCCF)CC2)cc1,CHEMBL417001,8.37
+N#Cc1ccccc1CN1CCC(COc2ccc(I)cc2)CC1,CHEMBL295626,7.98
+OCCN1CCC(COc2ccc(I)cc2)CC1,CHEMBL46374,8.64
+FCCCN1CCC(COc2ccc(Br)cc2)CC1,CHEMBL45156,9.42
+N#Cc1ccc(OCC2CCN(CCF)CC2)cc1,CHEMBL46519,7.61
+N#Cc1ccc(OCC2CCN(Cc3ccccc3Br)CC2)cc1,CHEMBL295661,8.69
+Brc1ccc(OCC2CCN(CC3CC3)CC2)cc1,CHEMBL46880,9.22
+N#Cc1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1,CHEMBL46559,9.12
+N#Cc1cccc(CN2CCC(COc3ccc(I)cc3)CC2)c1,CHEMBL417899,8.54
+Brc1cccc(OCC2CCN(CC3CC3)CC2)c1,CHEMBL289196,9.06
+C[C@]12N[C@H](Cc3ccc(N=C=S)cc31)c1ccccc12,CHEMBL312471,5.32
+Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O,CHEMBL2103778,6.47
+Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,CHEMBL46,6.17
+COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,CHEMBL345820,6.47
+COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,CHEMBL196476,6.74
+O=c1oc2ccccc2n1CCN1CCN(C2CCCCC2)CC1,CHEMBL269876,8.16
+S=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL272603,8.89
+S=c1oc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL272854,8.31
+c1ccc2oc(SCCCCN3CCN(C4CCCCC4)CC3)nc2c1,CHEMBL408003,8.47
+O=c1sc2ccccc2n1CCCCCCN1CCN(C2CCCCC2)CC1,CHEMBL272608,8.18
+O=c1oc2ccccc2n1CCCCCCN1CCN(C2CCCCC2)CC1,CHEMBL272610,8.34
+O=c1sc2ccccc2n1CCCCCN1CCN(C2CCCCC2)CC1,CHEMBL406081,8.3
+O=c1oc2ccccc2n1CCCCCN1CCN(C2CCCCC2)CC1,CHEMBL406082,7.98
+O=c1sc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL270341,8.38
+O=c1oc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1,CHEMBL271772,7.95
+O=c1sc2ccccc2n1CCCN1CCN(C2CCCCC2)CC1,CHEMBL273084,8.25
+O=c1oc2ccccc2n1CCCN1CCN(C2CCCCC2)CC1,CHEMBL405925,8.28
+O=c1sc2ccccc2n1CCN1CCN(C2CCCCC2)CC1,CHEMBL271975,8.33
+CN1CCC(C#N)(c2ccccc2)CC1,CHEMBL495954,6.95
+N#CC1(c2ccccc2)CCN(CCCCc2ccccc2)CC1,CHEMBL495760,7.31
+N#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1,CHEMBL502461,9.42
+N#CC1(c2ccccc2)CCN(CCc2ccccc2)CC1,CHEMBL495759,8.48
+N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1,CHEMBL495549,9.39
+CC(C)CN1CCC(C#N)(c2ccccc2)CC1,CHEMBL486190,9.46
+C=C(C)CN1CCC(C#N)(c2ccccc2)CC1,CHEMBL495548,8.43
+CCCN1CCC(C#N)(c2ccccc2)CC1,CHEMBL473112,8.77
+C=CCN1CCC(C#N)(c2ccccc2)CC1,CHEMBL495955,8.66
+CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1,CHEMBL473989,7.68
+Cc1ccc(CN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1C,CHEMBL523473,7.68
+CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1,CHEMBL490214,6.7
+CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1,CHEMBL491834,7.37
+Cc1ccc(CN(C)CCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1C,CHEMBL491833,6.93
+CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1,CHEMBL484258,7.0
+CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,CHEMBL1627,9.1
+O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1,CHEMBL472979,8.447000000000001
+O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2Cl)CC1,CHEMBL472984,7.215
+O=c1oc2ccccc2n1CC1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL473783,10.007
+O=c1oc2ccccc2n1CC1CCN(Cc2ccc(Cl)cc2Cl)CC1,CHEMBL473975,6.59
+O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2F)CC1,CHEMBL473976,7.64
+O=c1oc2ccccc2n1CC1CCN(Cc2ccc(F)cc2)CC1,CHEMBL515571,8.41
+Cc1ccccc1CN1CCC(Cn2c(=O)oc3ccccc32)CC1,CHEMBL474175,7.505
+Cc1ccc(CN2CCC(Cn3c(=O)oc4ccccc43)CC2)cc1,CHEMBL474565,8.525
+Cc1ccc(CN2CCC(Cn3c(=O)oc4ccccc43)CC2)c(C)c1,CHEMBL514488,7.52
+Cc1cc(C)c(CN2CCC(Cn3c(=O)oc4ccccc43)CC2)c(C)c1,CHEMBL474566,5.21
+O=c1oc2ccccc2n1CC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,CHEMBL474567,6.4
+O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1,CHEMBL474182,5.987
+COc1ccc(CCN(C)CCN2CCCCC2)cc1,CHEMBL493384,7.68
+CCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCCC1,CHEMBL497550,8.7
+CN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCCC1,CHEMBL497549,8.52
+CCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1,CHEMBL497340,8.3
+CN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1,CHEMBL498775,8.7
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL498774,8.22
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,CHEMBL497338,8.52
+CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL445977,7.77
+CN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,CHEMBL498565,8.0
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL526849,8.7
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,CHEMBL498564,8.7
+CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL498566,8.15
+CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,CHEMBL493369,8.22
+CN(CCCn1c(=O)oc2ccccc21)Cc1ccccc1,CHEMBL564522,6.65
+CN(CCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl,CHEMBL550990,5.6
+CN(CCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1,CHEMBL557708,5.49
+CN(CCCn1c(=O)oc2ccccc21)Cc1ccc(Cl)cc1,CHEMBL562450,5.94
+COc1ccccc1CN(C)CCCn1c(=O)oc2ccccc21,CHEMBL540733,5.71
+COc1cccc(CN(C)CCCn2c(=O)oc3ccccc32)c1,CHEMBL565070,5.07
+COc1ccc(CN(C)CCCn2c(=O)oc3ccccc32)cc1,CHEMBL549769,7.08
+Cc1ccccc1CN(C)CCCn1c(=O)oc2ccccc21,CHEMBL564784,6.05
+Cc1cccc(CN(C)CCCn2c(=O)oc3ccccc32)c1,CHEMBL564465,5.74
+Cc1ccc(CN(C)CCCn2c(=O)oc3ccccc32)cc1,CHEMBL540232,6.06
+Cc1ccc(CN(C)CCCn2c(=O)oc3ccccc32)c(C)c1,CHEMBL570315,5.74
+CN(CCCCn1c(=O)oc2ccccc21)Cc1ccccc1,CHEMBL559292,8.59
+CN(CCCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl,CHEMBL551855,6.07
+CN(CCCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1,CHEMBL552170,6.52
+CN(CCCCn1c(=O)oc2ccccc21)Cc1ccc(Cl)cc1,CHEMBL551856,8.15
+COc1ccccc1CN(C)CCCCn1c(=O)oc2ccccc21,CHEMBL559857,6.23
+COc1cccc(CN(C)CCCCn2c(=O)oc3ccccc32)c1,CHEMBL570536,6.53
+COc1ccc(CN(C)C(C)CCn2c(=O)oc3ccccc32)cc1,CHEMBL559582,7.68
+Cc1cccc(CN(C)CCCCn2c(=O)oc3ccccc32)c1,CHEMBL564299,6.99
+Cc1ccc(CN(C)CCCCn2c(=O)oc3ccccc32)cc1,CHEMBL550783,7.01
+Cc1ccc(CN(C)CCCCn2c(=O)oc3ccccc32)c(C)c1,CHEMBL563001,6.62
+O=C(Nc1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL554484,7.32
+O=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL559782,7.35
+Cc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1,CHEMBL551310,6.98
+O=C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1,CHEMBL557297,7.65
+O=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL559979,7.89
+Cc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1,CHEMBL562510,7.16
+O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,CHEMBL15023,9.1
+COc1cccc2c1CCCC2CCCN1CCCCC1,CHEMBL134607,7.74
+Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213,CHEMBL104042,6.55
+Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213,CHEMBL585721,6.75
+COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213,CHEMBL571862,6.405
+COc1ccc2cc(C(C)(O)CCN(C)C)ccc2c1,CHEMBL597631,7.41
+COc1ccc2cc(C(C)(O)CCN(C)Cc3ccccc3)ccc2c1,CHEMBL591679,8.22
+COc1ccc2cc(C(C)(O)CCN3CCCCC3)ccc2c1,CHEMBL597833,7.98
+CN(CCC(C)(O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1,CHEMBL597021,8.62
+COc1ccc2cc(/C(C)=C/CN(C)C)ccc2c1,CHEMBL224021,7.56
+COc1ccc2cc(/C(C)=C/CN(C)Cc3ccccc3)ccc2c1,CHEMBL597022,7.86
+COc1ccc2cc(/C(C)=C/CN3CCCCC3)ccc2c1,CHEMBL597023,8.36
+C/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL224099,8.38
+COc1ccc2cc(C(C)CCN(C)C)ccc2c1,CHEMBL223337,7.84
+COc1ccc2cc(C(C)CCN(C)Cc3ccccc3)ccc2c1,CHEMBL597642,8.64
+COc1ccc2cc(C(C)CCN3CCCCC3)ccc2c1,CHEMBL597643,8.89
+CC(CCN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL224151,8.44
+c1ccc(CCN2CCN(c3ccncc3)CC2)cc1,CHEMBL1089654,7.38
+c1ccc(CCCN2CCN(c3ccncc3)CC2)cc1,CHEMBL1090907,7.47
+c1ccc(CCN2CCN(c3cccnc3)CC2)cc1,CHEMBL1090908,7.01
+c1ccc(CCCN2CCN(c3cccnc3)CC2)cc1,CHEMBL1090909,7.67
+c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214829,8.28
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214830,8.57
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214831,7.97
+FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214891,8.59
+CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214892,7.27
+FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214893,7.83
+COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214894,7.79
+CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214895,7.1
+FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214958,7.3
+CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214959,6.75
+FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1214960,6.63
+COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214961,6.7
+CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1214962,7.43
+FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215036,6.31
+CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215037,7.1
+FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1215038,8.04
+CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,CHEMBL1258223,7.22
+CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,CHEMBL1258452,6.68
+CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,CHEMBL1258671,7.26
+O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL1271793,6.68
+O[C@H]1Cc2cccc(OCCF)c2C[C@@H]1N1CCC(c2ccccc2)CC1,CHEMBL1271850,6.57
+O[C@@H]1Cc2cccc(I)c2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL65239,6.58
+Nc1cccc2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2,CHEMBL277630,6.19
+OC1Cc2cccc(F)c2CC1N1CCC(c2ccccc2)CC1,CHEMBL1271906,7.88
+O[C@H]1Cc2cccc(F)c2C[C@@H]1N1CCC(c2ccccc2)CC1,CHEMBL1271907,7.42
+O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL1271961,8.45
+Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL1643899,6.7
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643902,5.93
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL1643901,5.8
+Fc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL1774728,9.07
+Brc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL1774729,9.11
+Ic1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL1774730,9.1
+O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL1774731,9.37
+Cc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL1774732,9.04
+COc1ccc(C)cc1C(=O)NCCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL1779060,8.12
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OCCc1ccccc1,CHEMBL1779059,7.7
+O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,CHEMBL1779058,7.57
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL64260,4.98
+c1ccc2c(c1)ccn2CCCCN1CCN(C2CCCCC2)CC1,CHEMBL1830149,8.48
+Fc1ccc(N2CCN(CCCCn3ccc4ccccc43)CC2)cc1,CHEMBL1831156,7.15
+COc1cc2c(cc1OC)CN(CCCCn1ccc3ccccc31)CC2,CHEMBL1831157,6.85
+CC(=O)c1ccc2c(ccn2CCCCN2CCN(C3CCCCC3)CC2)c1,CHEMBL1831158,8.27
+CC(=O)c1ccc2c(ccn2CCCCN2CCN(c3ccc(F)cc3)CC2)c1,CHEMBL1831159,8.67
+COc1cc2c(cc1OC)CN(CCCCn1ccc3cc(C(C)=O)ccc31)CC2,CHEMBL1831160,7.84
+c1ccc(-c2cn(CCCCN3CCN(C4CCCCC4)CC3)c3ccccc23)cc1,CHEMBL1831161,7.03
+Fc1ccc(N2CCN(CCCCn3cc(-c4ccccc4)c4ccccc43)CC2)cc1,CHEMBL1831162,6.65
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccccc3)c3ccccc31)CC2,CHEMBL1831163,6.15
+Fc1ccc(-c2cn(CCCCN3CCN(C4CCCCC4)CC3)c3ccccc23)cc1,CHEMBL1831164,7.04
+Fc1ccc(-c2cn(CCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc23)cc1,CHEMBL1831165,5.92
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,CHEMBL1831166,5.53
+c1ccc2c(c1)c(-c1ccoc1)cn2CCCCN1CCN(C2CCCCC2)CC1,CHEMBL1831167,7.46
+Fc1ccc(N2CCN(CCCCn3cc(-c4ccoc4)c4ccccc43)CC2)cc1,CHEMBL1831168,6.55
+COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccoc3)c3ccccc31)CC2,CHEMBL1831169,6.21
+c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834251,8.14
+COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834252,7.77
+COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834253,7.89
+COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834254,8.03
+c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834255,8.24
+COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834256,8.08
+COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834257,8.24
+COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1833977,8.51
+c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834258,8.38
+COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1834259,7.8
+COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1,CHEMBL1834260,8.12
+COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1834261,7.89
+COc1ccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1OC,CHEMBL1927694,4.99
+COc1cccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c1OC,CHEMBL1927695,5.1
+COc1c(I)ccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c1O,CHEMBL1927696,4.13
+COc1cccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c1O,CHEMBL1927697,4.95
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cccc(OC)c1O)CC2,CHEMBL1927698,4.17
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccc([N+](=O)[O-])cc1)CC2,CHEMBL1927700,4.83
+O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccc([N+](=O)[O-])cc2C1,CHEMBL1927702,7.06
+CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@H](C)C1,CHEMBL372700,10.96
+CC(=O)N(Cc1ccccc1)CC1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL2017957,8.73
+CN(Cc1ccc(Cl)cc1)CC1CCN(C(=O)c2ccccc2)CC1,CHEMBL2017958,7.52
+CN(Cc1cccnc1)CC1CCN(C(=O)c2ccccc2)CC1,CHEMBL2017959,5.8
+C1CCC(CN2C3CCC2CC3)CC1,CHEMBL2030625,7.66
+C1CC2CCC1N2CC12C3C4C5C3C1C5C42,CHEMBL2030626,8.15
+c1ccc(CCN2C3CCC2CC3)cc1,CHEMBL2030627,6.56
+Fc1cccc(CCN2C3CCC2CC3)c1,CHEMBL2030628,6.99
+c1ccc(CCN2C3CCC2CC3)nc1,CHEMBL2030629,5.42
+Fc1cccc(CCCN2C3CCC2CC3)c1,CHEMBL2030630,6.92
+C1CCC(CN2CCCC2)CC1,CHEMBL2030634,7.29
+OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(c2ccccc2I)CC1,CHEMBL2064615,6.62
+OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(c2ccccc2Br)CC1,CHEMBL2064616,6.82
+OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(c2ccccc2)CC1,CHEMBL2064617,7.13
+OC1CCCCC1N1CCC(c2ccccc2)CC1,CHEMBL20943,7.66
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL560,7.92
+COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,CHEMBL814,7.44
+O=c1sc2cc(CCCF)ccc2n1CCN1CCCCCC1,CHEMBL2181924,9.02
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,CHEMBL2203551,8.39
+c1ccc(OCc2cc(OC[C@@H]3CCN3)on2)cc1,CHEMBL2165452,6.48
+Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1,CHEMBL2203550,6.99
+c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,CHEMBL2165447,7.48
+c1ccc(OCc2cc(OC[C@@H]3CCCN3)on2)cc1,CHEMBL2165453,8.38
+OC12C3C4CC5C6C4C1C6C(C53)N2CCCCc1cccc(F)c1,CHEMBL2205822,8.26
+OC12C3C4CC5C6C4C1C6C(C53)N2CCCCc1ccccc1,CHEMBL2205821,8.0
+OC12C3C4CC5C6C4C1C6C(C53)N2CCCc1cccc(F)c1,CHEMBL2205820,7.82
+OC12C3C4CC5C6C4C1C6C(C53)N2CCCc1ccccc1,CHEMBL2205819,7.77
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccncc1,CHEMBL2205818,7.17
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1,CHEMBL2205817,6.09
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1,CHEMBL2205816,5.93
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccc2c(c1)OCO2,CHEMBL2205815,7.59
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205814,7.0
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC,CHEMBL2205813,7.82
+COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205812,7.82
+COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205811,7.28
+COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205836,7.16
+OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccc1,CHEMBL2205835,7.59
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccncc1,CHEMBL2205834,5.82
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,CHEMBL2205832,5.98
+OC12C3C4CC5C6C4C1C6C(C53)N2CC1CCCCC1,CHEMBL2205831,8.17
+COc1cc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc(OC)c1OC,CHEMBL2205830,5.37
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,CHEMBL2205829,6.36
+COc1cc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc(OC)c1,CHEMBL2205828,6.21
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,CHEMBL2205827,6.64
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c(OC)c1,CHEMBL2205826,7.18
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,6.7
+COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2205824,6.49
+COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,CHEMBL2205823,6.72
+COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC,CHEMBL408867,8.33
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.47
+COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1,CHEMBL2205360,7.47
+COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC,CHEMBL2205362,7.56
+Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12,CHEMBL2205361,8.11
+FCCOCCOCCOc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL2314426,6.3
+FCCOCCOc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL2314425,7.39
+FCCOc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL2314424,8.73
+Ic1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2346997,8.56
+Fc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL466289,9.24
+FCCOCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2346998,7.43
+FCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2346999,7.28
+FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cn1,CHEMBL2347000,8.64
+FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2347001,9.1
+COc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL2347002,8.77
+CCCCc1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1,CHEMBL2414425,7.92
+CCCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1,CHEMBL2414424,8.72
+CCCCc1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1,CHEMBL2414423,8.66
+CCCc1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1,CHEMBL2414422,8.2
+CCCc1ccc2c(c1)sc(=O)n2CCCCCN1CCCCCC1,CHEMBL2414421,8.34
+CCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1,CHEMBL2414420,8.21
+CCCc1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1,CHEMBL2414419,8.85
+CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1,CHEMBL2414418,7.97
+CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCCCN1CCCCCC1,CHEMBL2414417,7.79
+CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1,CHEMBL2414416,8.32
+CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1,CHEMBL2414415,8.59
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCC1,CHEMBL14835,6.94
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1,CHEMBL2414414,7.98
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCCCCN1CCCCCC1,CHEMBL2414413,7.91
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1,CHEMBL2414412,7.99
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1,CHEMBL2414411,8.43
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCCCC1,CHEMBL2414410,8.35
+O=c1sc2ccccc2n1CCN1CCCCCCC1,CHEMBL2414409,8.01
+O=c1sc2ccccc2n1CCN1CCCC1,CHEMBL2414408,6.24
+O=c1sc2ccccc2n1CCCCCCN1CCCCCC1,CHEMBL2414407,8.12
+O=c1sc2ccccc2n1CCCCCN1CCCCCC1,CHEMBL2414406,8.15
+O=c1sc2ccccc2n1CCCCN1CCCCCC1,CHEMBL2414348,8.49
+O=c1sc2ccccc2n1CCCN1CCCCCC1,CHEMBL2414347,8.39
+CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413879,6.1
+CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O,CHEMBL2413878,7.72
+CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413877,7.08
+CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O,CHEMBL2413876,6.92
+CN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1,CHEMBL2413796,7.23
+CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,CHEMBL2413795,8.34
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432048,7.31
+Fc1cccc(CCCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL2432050,7.6
+c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,CHEMBL2432049,7.67
+c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,CHEMBL2429890,7.77
+CN(CC1CCCCC1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432063,7.82
+C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1,CHEMBL2432038,8.4
+C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,CHEMBL2432039,8.52
+COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432061,5.91
+COc1ccc(CN(C)[C@H]2C3C4CC5C3C(=O)C3C5C4C32)cc1OC,CHEMBL2432042,5.99
+COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,CHEMBL2432051,6.0
+CN(Cc1cccnc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432057,6.01
+CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432044,6.08
+CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432058,6.11
+CN(Cc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432055,6.11
+CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432043,6.13
+CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432040,6.25
+c1cncc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,CHEMBL2432047,6.29
+CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432059,6.35
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432060,6.37
+CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432052,6.39
+CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432041,6.52
+COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432056,6.59
+CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41,CHEMBL2432062,6.68
+CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,CHEMBL2432054,6.88
+COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,CHEMBL2432046,7.03
+c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,CHEMBL2432045,7.11
+Clc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL112125,9.92
+Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1,CHEMBL325262,8.31
+Clc1ccccc1N1CCN(CCCc2ccccc2)CC1,CHEMBL3093270,9.25
+Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1,CHEMBL3093269,8.73
+Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1,CHEMBL113621,8.19
+Clc1ccccc1N1CCN(CCc2ccccc2)CC1,CHEMBL3093268,9.82
+COC(=O)[C@H]1[C@@H](OC(=O)c2ccc([N-][N+]#N)c(I)c2)C[C@@H]2CC[C@H]1N2C,CHEMBL3103201,9.9
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,4.81
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccco1,CHEMBL3116465,7.87
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3116464,6.43
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1,CHEMBL3116463,6.72
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccco1,CHEMBL3116462,7.67
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3116461,6.52
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc2ccccc2c1,CHEMBL3116460,6.65
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cccc2ccccc12,CHEMBL3116459,6.67
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(OC)cc1,CHEMBL3116458,6.66
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(C)cc1,CHEMBL3116457,6.85
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(Cl)cc1,CHEMBL3116456,7.04
+CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccccc1,CHEMBL3116455,6.81
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc2ccccc2c1,CHEMBL3116454,6.7
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cccc2ccccc12,CHEMBL3116453,6.79
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(C)cc1,CHEMBL3116452,6.8
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(Cl)cc1,CHEMBL3116451,7.23
+CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1,CHEMBL3116466,7.18
+CC(=O)c1ccc2c(c1)oc(=O)n2CCCCN1CCN(c2ccc(F)cc2)CC1,CHEMBL3235465,7.57
+O=C(Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2)c1ccc(F)cc1,CHEMBL3589733,5.19
+O=C(Nc1cccc2c1C[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H](O)C2)c1ccc(F)cc1,CHEMBL3589734,5.75
+O=C(Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2)c1ccc(F)cc1,CHEMBL3589735,6.2
+O=C(Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(Cc3ccccc3)CC1)C2)c1ccc(F)cc1,CHEMBL3589736,6.53
+O[C@@H]1CCCC[C@H]1N1CCN(c2ccccc2)CC1,CHEMBL3590029,7.08
+O[C@@H]1CCCC[C@H]1N1CC=C(c2ccccc2)CC1,CHEMBL3590030,8.01
+CCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O,CHEMBL3590031,6.94
+O[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2)CC1,CHEMBL3589862,6.34
+CC(=O)C1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL3589863,7.65
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1,CHEMBL3589864,7.36
+O[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1,CHEMBL3589865,7.7
+O[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1,CHEMBL3589866,7.27
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1089853,7.22
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL3589869,7.78
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCN(c2ccccc2)CC1,CHEMBL3589870,6.99
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CC=C(c2ccccc2)CC1,CHEMBL3589871,7.52
+CCN(CCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1O,CHEMBL3589872,7.98
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(O)(c2ccccc2)CC1,CHEMBL3589873,7.33
+CC(=O)C1(c2ccccc2)CCN([C@@H]2C[C@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1,CHEMBL3589874,7.2
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1,CHEMBL3589875,6.34
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(Cc2ccccc2)CC1,CHEMBL3589876,7.6
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCc2ccccc2C1,CHEMBL3589877,7.23
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(N2CCCCC2)CC1,CHEMBL3589878,6.26
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2C[C@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1,CHEMBL3589879,7.23
+O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(c2ccncc2)CC1,CHEMBL3589711,7.58
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL3589712,7.77
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCN(c2ccccc2)CC1,CHEMBL3589713,6.72
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CC=C(c2ccccc2)CC1,CHEMBL3589714,7.8
+CCN(CCCc1ccccc1)[C@@H]1CC[C@H](OCc2ccc(F)cc2)C[C@H]1O,CHEMBL3589715,7.71
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(O)(c2ccccc2)CC1,CHEMBL3589716,7.51
+CC(=O)C1(c2ccccc2)CCN([C@@H]2CC[C@H](OCc3ccc(F)cc3)C[C@H]2O)CC1,CHEMBL3589717,6.92
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1,CHEMBL3589718,6.13
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(Cc2ccccc2)CC1,CHEMBL3589719,8.04
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCc2ccccc2C1,CHEMBL3589720,7.64
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(N2CCCCC2)CC1,CHEMBL3589721,6.52
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CC[C@H](OCc3ccc(F)cc3)C[C@H]2O)CC1,CHEMBL3589722,7.18
+O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccncc2)CC1,CHEMBL3589723,7.39
+Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2,CHEMBL87381,6.92
+O[C@@H]1CC[C@@H](OCCCF)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL3589724,7.59
+O[C@@H]1C[C@@H](OCCCF)CC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL3589725,7.01
+Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2,CHEMBL3589732,7.26
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCN(c2ccccc2)CC1,CHEMBL3589726,6.33
+O[C@@H]1Cc2ccccc2C[C@H]1N1CC=C(c2ccccc2)CC1,CHEMBL3589727,7.62
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(c2ccccc2)CC1,CHEMBL3589728,7.17
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(Cc2ccccc2)CC1,CHEMBL3589729,7.19
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(N2CCCCC2)CC1,CHEMBL3589730,6.61
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(c2ccncc2)CC1,CHEMBL3589731,8.05
+O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL87379,7.58
+O[C@@H]1CC=CC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL264437,8.24
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL473129,6.67
+COc1cc2c(cc1OC)CN(CCCCc1cn(-c3ccc(F)cc3)c3ccccc13)CC2,CHEMBL3354882,6.28
+COc1cc2c(cc1OC)CN(CCCCc1cn(-c3ccc(F)cc3)c3ccccc13)C2,CHEMBL3739449,6.59
+N#CC1(c2ccccc2)CCN(CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1,CHEMBL3742357,8.59
+FCCOc1ccc(N2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1,CHEMBL3740764,6.21
+FCCOCCOc1ccc(N2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1,CHEMBL3740497,5.95
+FCCOCCOCCOc1ccc(N2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1,CHEMBL3741494,5.67
+FCCOc1cccc(N2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)c1,CHEMBL3739531,6.59
+FCCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21,CHEMBL3741305,6.61
+COc1cc2c(cc1OC)CN(CCCCn1cc(CCF)c3ccccc31)CC2,CHEMBL3740876,6.31
+COc1cc2c(cc1OC)CN(CCCCn1cc(CCCF)c3ccccc31)CC2,CHEMBL3740227,6.58
+FCCc1cn(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc12,CHEMBL3741752,7.96
+N#CC1(c2ccccc2)CCN(CCCCc2cn(-c3ccc(I)cc3)c3ccccc23)CC1,CHEMBL3740736,6.41
+COc1cc2c(cc1OC)CN(CCCCC(=O)c1ccc(F)cc1)CC2,CHEMBL3740945,7.78
+COC(=O)CC1CC(c2ccc(O)cc2)=NO1,CHEMBL210858,6.99
diff --git a/chembl_200/CHEMBL3650.csv b/chembl_200/CHEMBL3650.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c2be12cca2da7b1e0ec3ce55040fd8800688bf5a
--- /dev/null
+++ b/chembl_200/CHEMBL3650.csv
@@ -0,0 +1,353 @@
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,5.7
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.3
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,5.7
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,6.0
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.8
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.6
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.1
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.6
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.3
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.5
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.9
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.1
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,7.0
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,7.6
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.8
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.3
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.4
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.1
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.0
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,7.3
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,5.7
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.0
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,5.4
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,6.2
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.4
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.3
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.4
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,5.7
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.9
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.8
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.0
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.4
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.7
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.3
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.9
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.0
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.0
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.6
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.9
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.4
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,7.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.9
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.7
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.1
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.7
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,5.3
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,7.7
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,7.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,7.7
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,5.7
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.8
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.2
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.3
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.6
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,7.3
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.5
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,8.15
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.9
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.9
+Nc1nccc2nc(-c3ccccc3)cn12,CHEMBL2004887,4.1
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.2
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,6.2
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.2
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.8
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,4.8
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.2
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.5
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,7.5
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.3
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O,CHEMBL485556,5.7
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,8.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.4
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.3
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.2
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.4
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,6.0
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.1
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.2
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.2
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccc(Br)cc34)[nH]c2c1,CHEMBL1965437,5.5
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.1
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.05
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.7
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.4
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,5.7
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.0
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.3
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,5.9
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.4
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.5
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.2
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.4
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.3
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.4
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.8
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,7.4
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.5
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.8
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.3
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.4
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,7.6
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,5.6
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.6
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.7
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,5.6
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.6
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,6.4
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.2
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.3
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,5.4
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.3
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.0
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.6
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,7.6
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.4
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,5.0
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.7
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.8
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,5.5
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.1
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.4
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.5
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.7
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.6
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.8
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.0
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,5.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.5
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.2
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,5.3
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,7.6
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.2
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.6
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.3
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,5.6
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.4
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.0
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,8.1
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.6
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,5.5
+CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,CHEMBL1998477,5.7
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,7.4
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,5.5
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.7
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,7.8
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.2
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,6.4
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.5
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.7
+Fc1ccc2c(c1)-c1n[nH]cc1CS2,CHEMBL1989069,5.0
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.2
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.6
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.4
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.7
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.0
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.9
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,5.5
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,5.9
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.8
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.2
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.1
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.5
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.4
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.4
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.5
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.6
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.9
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.4
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.6
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.1
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.8
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.8
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,5.7
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.4
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.5
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.8
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.8
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.9
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.5
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,5.5
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.4
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.6
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.2
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.3
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.7
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.0
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.1
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.5
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.6
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.0
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,5.3
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,5.5
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.1
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.3
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,7.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,5.3
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.9
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,7.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,5.5
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.6
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,5.4
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,5.6
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.4
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.7
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.2
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.1
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.6
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.9
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.8
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,6.1
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,5.0
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.5
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.3
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.1
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,5.9
+Nc1ncnc2sccc12,CHEMBL1972934,4.5
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.1
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,6.8
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.5
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.5
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,5.3
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.6
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,4.2
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,5.5
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,7.8
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.3
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.1
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.5
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.0
+O=c1c(NCCc2ccc(Oc3ccccc3)cc2)c(Nc2ccncc2)c1=O,CHEMBL1999321,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,7.7
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.3
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.1
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.1
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,7.2
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.0
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.0
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.8
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.2
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.5
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,6.8
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.3
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.4
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.1
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,5.5
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.2
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.2
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.0
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.0
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.9
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,5.6
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.1
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.1
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,8.0
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.5
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.2
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.5
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.0
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.8
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,5.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.2
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,6.1
+O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,5.4
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,6.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,7.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,5.6
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.5
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.3
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,7.4
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.4
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,7.9
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.6
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.6
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,7.0
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,5.6
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,8.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,5.9
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.9
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.0
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.2
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.4
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.9
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.3
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.4
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,6.46
diff --git a/chembl_200/CHEMBL3706.csv b/chembl_200/CHEMBL3706.csv
new file mode 100644
index 0000000000000000000000000000000000000000..7b0dc214ae0414878cd77c89972f6f6ec6bdaf62
--- /dev/null
+++ b/chembl_200/CHEMBL3706.csv
@@ -0,0 +1,432 @@
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL61193,8.64
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL43087,9.28
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL56837,8.21
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL58577,8.77
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL57644,7.82
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL60536,7.68
+CCOCCOc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL419503,8.06
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,CHEMBL93620,8.8
+COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90806,6.47
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL92767,7.15
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL90321,7.92
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL93720,6.29
+O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1,CHEMBL327578,7.17
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL41821,9.08
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H]3OC(C)(C)O[C@@H]3[C@@H]2C(=O)NO)cc1,CHEMBL288843,8.73
+CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](OC)[C@@H]2C(=O)NO)cc1,CHEMBL291264,8.73
+CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL288664,9.24
+CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C(C)(C)C,CHEMBL16520,7.06
+CCN(CC)CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171292,7.48
+CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172548,7.95
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2CC1C(=O)NO,CHEMBL171962,7.43
+CCOCCOc1ccc(P(=O)(OCC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL353536,8.53
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO,CHEMBL172249,8.66
+CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL368857,7.72
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2nccnc2CC1C(=O)NO,CHEMBL177072,7.86
+CCOP(=O)(c1ccncc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL171986,6.11
+CCOP(=O)(c1cccs1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL367710,7.22
+CCOP(=O)(c1ccc(C)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172886,6.3
+CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL436049,7.12
+CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL539171,7.3
+CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173686,7.86
+CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2CC1C(=O)NO,CHEMBL173316,8.19
+COc1ccc(P(=O)(OC)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL170315,8.05
+CCCCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL170429,7.49
+CCOP(=O)(/C=C/c1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172722,7.43
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL366478,8.15
+COc1ccc(P(=O)(OCCc2ccccn2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173027,6.92
+CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL175164,7.85
+CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL355797,8.1
+CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL425316,7.66
+CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)NO,CHEMBL173235,8.1
+CCOP(=O)(c1ccccc1F)N1Cc2ccccc2CC1C(=O)NO,CHEMBL173326,7.13
+COc1ccc(P(=O)(OCC2CCCCC2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173846,7.81
+COc1ccc(P(=O)(OCCc2ccccc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL174315,7.37
+COc1ccc(P(=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3CC2C(=O)NO)cc1,CHEMBL173754,7.04
+CCOP(=O)(c1cccc(F)c1)N1Cc2ccccc2CC1C(=O)NO,CHEMBL172415,7.64
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL306090,8.42
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL433314,7.89
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL72511,9.22
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccccc1)[C@H](CO)C(=O)NO)C(C)(C)C,CHEMBL76297,8.31
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL299141,7.11
+COC(=O)CC[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O,CHEMBL53123,6.75
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2S1(=O)=O,CHEMBL301303,7.96
+Cc1cc(C)cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)c1,CHEMBL293358,6.64
+COc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL51658,7.57
+COC(=O)CCC[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O,CHEMBL52808,8.0
+C[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O,CHEMBL277972,6.32
+COc1ccc2c(c1)NCCN([C@@H](C(=O)NO)C(C)C)S2(=O)=O,CHEMBL300394,7.15
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL293074,7.77
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL416306,8.3
+CCOc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)cc(OCC)c1,CHEMBL54292,7.29
+Cc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(C)n1,CHEMBL299796,6.26
+COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL51557,7.51
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL53250,6.62
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL415949,7.09
+COc1ccc2c(c1)NCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL300707,5.51
+C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL51966,6.41
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O,CHEMBL301157,7.05
+COc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1,CHEMBL54663,7.25
+C[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O,CHEMBL52893,6.82
+CC(C)C[C@H](C(=O)NO)N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O,CHEMBL431926,6.75
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2S1(=O)=O,CHEMBL298884,6.12
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3cccc([N+](=O)[O-])c3)ccc2S1(=O)=O,CHEMBL52659,6.89
+Cc1nc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)sc1C,CHEMBL53055,6.54
+C[C@H](C(=O)NO)N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O,CHEMBL52423,6.15
+COc1ccc(Oc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc1,CHEMBL53643,6.21
+COc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)cc(OC)c1,CHEMBL295710,8.0
+C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O,CHEMBL53233,6.13
+COc1ccc2c(c1)NCCN([C@H](C)C(=O)NO)S2(=O)=O,CHEMBL54021,6.56
+CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)cc(OCC)c1,CHEMBL299997,7.89
+CC(C)C[C@@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL66098,6.81
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)[C@H](C)N(O)C=O,CHEMBL68553,7.7
+CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL66181,7.26
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O,CHEMBL304295,7.8
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69596,7.96
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1,CHEMBL69418,7.7
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C)[C@H](C)N(O)C=O,CHEMBL302941,7.57
+CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O,CHEMBL307773,7.54
+CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C,CHEMBL66970,6.85
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1)[C@H](C)N(O)C=O,CHEMBL68812,7.19
+CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1,CHEMBL68667,7.51
+CCOP(=O)(N[C@@H](CCC(=O)NCCc1ccccc1)C(=O)NO)c1ccc(OC)cc1,CHEMBL291387,8.0
+CCOP(=O)(N[C@H](CCC(=O)NCCc1ccccc1)C(=O)NO)c1ccc(OC)cc1,CHEMBL64571,7.56
+CCOP(=O)(N[C@H](CC(C)C)C(=O)NO)c1ccc(OC)cc1,CHEMBL59692,8.3
+CCOP(=O)(N[C@@H](CC(C)C)C(=O)NO)c1ccc(OC)cc1,CHEMBL291361,7.12
+CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,CHEMBL62259,8.15
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](OC(C)=O)[C@@H]2C(=O)NO)cc1,CHEMBL317307,7.68
+COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2C(=O)NO)cc1,CHEMBL93067,7.66
+COc1ccc(S(=O)(=O)N2C[C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@@H]2C(=O)NO)cc1,CHEMBL330727,7.4
+CC#CCOc1ccc(S(=O)(=O)N(C)CC(=O)NO)cc1,CHEMBL321556,8.0
+CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O,CHEMBL204357,8.4
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1,CHEMBL382705,8.3
+CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1,CHEMBL207756,8.1
+CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO,CHEMBL439330,8.1
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CO)C(=O)NO)cc1,CHEMBL206875,7.18
+COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CN2C(=O)N(C)C(C)(C)C2=O)C(=O)NO)cc1,CHEMBL438964,6.49
+CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C,CHEMBL208181,7.24
+CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C,CHEMBL115653,6.64
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,10.22
+CC#CCOc1ccc(S(=O)(=O)N2CC(S)C2)cc1,CHEMBL243022,7.89
+CC#CCNc1ccc(S(=O)(=O)N2CC[C@@H](S)C2)cc1,CHEMBL234270,8.3
+CC#CCNc1ccc(S(=O)(=O)N2CC(S)C2)cc1,CHEMBL233852,7.96
+CN1CCN(CC#CCOc2ccc(S(=O)(=O)N3CC[C@@H](S)C3)cc2)CC1,CHEMBL427871,5.47
+CC#CCOc1ccc(S(=O)(=O)N2CCCC(S)C2)cc1,CHEMBL243236,7.26
+CC#CCOc1ccc(S(=O)(=O)N2CC[C@H](S)C2)cc1,CHEMBL243024,7.48
+CC#CCOc1ccc(S(=O)(=O)N2CC[C@@H](S)C2)cc1,CHEMBL389594,7.55
+O=S(=O)(c1ccc(OCC#CCN2CCCCC2)cc1)N1CC[C@@H](S)C1,CHEMBL412796,6.28
+CC#CCOc1ccc(S(=O)(=O)N(C)CCS)cc1,CHEMBL243874,7.28
+CC#CCOc1ccc(S(=O)(=O)N(C)C[C@H](C)S)cc1,CHEMBL233473,7.57
+CC#CCNc1ccc(S(=O)(=O)[C@@H]2CCC[C@@H](S)C2)cc1,CHEMBL254122,7.77
+CC#CCOc1ccc(S(=O)(=O)C2CCC(S)C2)cc1,CHEMBL253089,7.3
+CC#CCOc1ccc(S(=O)(=O)CCS)cc1,CHEMBL253686,8.1
+CC#CCNc1ccc(S(=O)(=O)CCCS)cc1,CHEMBL253696,8.35
+CC#CCNc1ccc(S(=O)(=O)CCS)cc1,CHEMBL253695,8.7
+CC#CCOc1ccc(S(=O)(=O)CCCS)cc1,CHEMBL402747,8.0
+CC#CCOc1ccc(S(=O)(=O)[C@@H]2CCC[C@@H](S)C2)cc1,CHEMBL253925,7.52
+CCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1C(=O)NO,CHEMBL258826,4.7
+COC(=O)C1(c2cccc(OCc3ccccc3)c2)CC1C(=O)NO,CHEMBL272891,6.72
+COC(=O)C1(Cc2ccc(OCc3ccccc3)cc2)CC1C(=O)NO,CHEMBL272890,6.1
+COC(=O)C1(Cc2cccc(OCc3ccccc3)c2)CC1C(=O)NO,CHEMBL258612,5.4
+CC#CCOc1ccc(C[C@]2(C(N)=O)C[C@@H]2C(=O)NO)cc1,CHEMBL271354,7.1
+CC#CCOc1ccc(C[C@]2(C(=O)OC)C[C@@H]2C(=O)NO)cc1,CHEMBL271598,6.38
+COC(=O)[C@@]1(Cc2ccc(OCC3CCCCC3)cc2)C[C@@H]1C(=O)NO,CHEMBL405073,4.59
+CCOC(=O)[C@@]1(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)NO,CHEMBL411531,5.51
+COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3Cl)cc2)C[C@@H]1C(=O)NO,CHEMBL269856,6.59
+COC(=O)[C@@]1(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C[C@@H]1C(=O)NO,CHEMBL271369,6.89
+Cc1cc(COc2ccc(C[C@]3(C(=O)N(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL409891,9.0
+CNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL412279,7.85
+Cc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL269834,8.52
+NC(=O)C1(Cc2ccc(OCc3ccccc3)cc2)CC1C(=O)NO,CHEMBL407322,6.44
+COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO,CHEMBL1162968,6.1
+COC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL410462,8.1
+Cc1cc(COc2cccc([C@@]3(C(=O)N4CCN(C)CC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL270266,5.3
+Cc1cc(COc2cccc([C@@]3(C(=O)NC4CCCCC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL411305,8.05
+Cc1cc(COc2cccc([C@@]3(C(=O)N(C)Cc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL272838,5.52
+Cc1cc(COc2cccc([C@@]3(C(=O)Nc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL409890,7.96
+Cc1cc(COc2cccc([C@@]3(C(=O)N(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL260524,5.57
+CNC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO,CHEMBL408212,7.0
+Cc1cc(COc2cccc([C@@]3(C(=O)NC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL273065,8.3
+CCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO,CHEMBL409733,7.8
+COC(=O)[C@]1(c2cccc(OCC3CCCCC3)c2)C[C@H]1C(=O)NO,CHEMBL270063,6.05
+CC#CCOc1cccc([C@@]2(C(=O)OC)C[C@H]2C(=O)NO)c1,CHEMBL272264,5.8
+COC(=O)[C@]1(c2cccc(Oc3ccc(C)cc3)c2)C[C@H]1C(=O)NO,CHEMBL272263,6.85
+COC(=O)[C@]1(c2cccc(Oc3ccccc3C)c2)C[C@H]1C(=O)NO,CHEMBL272262,6.62
+COC(=O)[C@]1(c2cccc(Oc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO,CHEMBL269835,7.15
+COC(=O)[C@]1(c2cccc(OCCc3cccc4ccccc34)c2)C[C@H]1C(=O)NO,CHEMBL270047,7.3
+COC(=O)[C@]1(c2cccc(OCCc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO,CHEMBL412280,7.22
+COC(=O)[C@]1(c2cccc(OCCc3ccccc3)c2)C[C@H]1C(=O)NO,CHEMBL271161,6.54
+COC(=O)[C@]1(c2cccc(OCc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO,CHEMBL409732,5.52
+COC(=O)[C@]1(c2cccc(OCc3cccc(F)c3)c2)C[C@H]1C(=O)NO,CHEMBL271163,7.1
+COC(=O)[C@]1(c2cccc(OCc3ccc(Cl)cc3)c2)C[C@H]1C(=O)NO,CHEMBL271162,7.3
+COC(=O)[C@]1(c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@H]1C(=O)NO,CHEMBL270064,7.74
+COC(=O)[C@]1(c2cccc(OCc3cccc(C(F)(F)F)c3)c2)C[C@H]1C(=O)NO,CHEMBL410871,7.15
+COC(=O)[C@]1(c2cccc(OCc3cccc(OC)c3)c2)C[C@H]1C(=O)NO,CHEMBL270065,6.96
+COC(=O)[C@]1(c2cccc(OC)c2)C[C@H]1C(=O)NO,CHEMBL272421,5.52
+NC(=O)C1(c2cccc(OCc3ccccc3)c2)CC1C(=O)NO,CHEMBL272422,5.92
+Cc1cc(COc2cccc([C@@]3(C(=O)NCc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL259032,6.85
+Cc1cc(COc2cccc([C@@]3(C(=O)OC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL259245,8.1
+COC(=O)[C@]1(c2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)NO,CHEMBL270485,5.96
+COC(=O)[C@]1(c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C[C@H]1C(=O)NO,CHEMBL409252,7.96
+Cc1cc(COc2cccc([C@@]3(C(N)=O)C[C@H]3C(=O)NO)c2)c2ccccc2n1,CHEMBL409253,6.15
+COC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO,CHEMBL270558,7.92
+N#C[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL497769,8.4
+O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)NCC1CCNCC1,CHEMBL452212,9.2
+CN(C)[C@H]1CCN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)C1,CHEMBL467798,9.27
+CN(C)[C@@H]1CCN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)C1,CHEMBL443884,9.42
+O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CC[C@H](O)C1,CHEMBL500112,9.6
+O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CCC[C@H]1CO,CHEMBL506057,9.52
+CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL496309,9.44
+CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL524072,9.55
+NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCOCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL467747,9.68
+NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL468778,9.82
+CNc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1,CHEMBL468777,9.12
+Cn1ccc(-c2cc(COc3ccc(C[C@]4(C(N)=O)C[C@@H]4C(=O)NO)cc3F)c3ccccc3n2)n1,CHEMBL512117,9.82
+NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL495569,9.85
+NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL461220,9.85
+NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL461221,9.74
+CCc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,CHEMBL496983,9.0
+CCOC(=O)[C@@]1(Cc2ccc(OCc3ccnc(-c4ccccc4)c3)cc2)C[C@@H]1C(=O)NO,CHEMBL496368,7.43
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL496367,7.66
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL495555,7.92
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC(C)C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL495747,7.74
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL495538,8.7
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL523892,8.52
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Br)c2)C[C@@H]1C(=O)NO,CHEMBL495537,6.42
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO,CHEMBL496357,6.8
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,CHEMBL523930,8.3
+CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,CHEMBL497810,8.22
+O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1,CHEMBL483857,5.43
+O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O,CHEMBL517708,8.17
+O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O,CHEMBL459747,7.52
+O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O,CHEMBL459748,7.49
+Cc1cc(COc2ccc(C3C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N3)cc2)c2ccccc2n1,CHEMBL468887,7.49
+O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccncc4)nc4ccccc34)cc1)NC2=O,CHEMBL468888,7.48
+O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O,CHEMBL467846,7.28
+CN1C(=O)[C@@]2(CC1c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)C[C@@H]2C(=O)NO,CHEMBL460597,6.86
+O=C(O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O,CHEMBL466599,7.4
+CN1C(=O)[C@@]2(CC1c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)C[C@@H]2C(=O)O,CHEMBL468689,7.03
+O=C(O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O,CHEMBL468690,6.84
+O=C(O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccncc4)nc4ccccc34)cc1)NC2=O,CHEMBL468896,6.17
+O=C(O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O,CHEMBL467856,5.67
+Cc1cc(COc2ccc(C3C[C@@]4(C[C@@H]4C(=O)O)C(=O)N3)cc2)c2ccccc2n1,CHEMBL467857,5.51
+O=C(O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O,CHEMBL466813,5.49
+COc1cccc(N2CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc3cccs3)CC2)c1,CHEMBL599173,6.4
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1,CHEMBL605764,6.4
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC(Cc2ccccc2)CC1,CHEMBL598358,5.96
+CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1)C1CCCCC1,CHEMBL597945,5.85
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccn2)CC1,CHEMBL597139,5.6
+CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL597340,5.89
+CN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL592294,6.12
+CN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL592295,5.89
+CN(Cc1ccco1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL604458,5.99
+CN(Cc1cccnc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL600680,6.03
+C[C@@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL591529,6.31
+C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL592721,6.62
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCCC1c1ccccc1,CHEMBL592722,6.49
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL609563,7.02
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL603238,7.7
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1c1ccccc1,CHEMBL597719,6.14
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC(c2ccccc2)C1,CHEMBL596906,6.34
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1,CHEMBL599155,7.04
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1,CHEMBL603832,7.18
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccn1,CHEMBL604935,6.73
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1nccs1,CHEMBL599156,6.79
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1Cl,CHEMBL590342,6.49
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL590343,7.96
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccc(Cl)cc1,CHEMBL600168,6.12
+Cc1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N(C)CCc2cccs2)c1,CHEMBL590821,7.89
+COc1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N(C)CCc2cccs2)c1,CHEMBL590822,7.48
+CN(C)c1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cccs2)c1,CHEMBL591535,7.39
+O=C(NCc1ccccc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL606458,5.84
+O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL591774,6.8
+O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL602949,7.18
+O=C(NCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccc(F)cc1,CHEMBL591590,7.03
+O=C(NCc1ccc(Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL601735,7.15
+O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL591591,7.32
+O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL592052,8.1
+O=C(NCCc1nc(Cc2ccccc2)co1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL607026,6.34
+O=C(NCc1nc(Cc2ccccc2)co1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1,CHEMBL592053,7.66
+O=C(NCc1cc(CC2C=CC=CC2Cl)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL591031,7.89
+O=C(NCc1cc(Cc2ccccc2Cl)cs1)[C@H](O)[C@@H](O)C(=S)N1CCCC1c1cccc(Cl)c1,CHEMBL602943,5.82
+O=C([C@H](O)[C@@H](O)C(=S)NCc1cc(Cc2ccccc2Cl)cs1)N1CCCC1c1cccc(Cl)c1,CHEMBL591032,5.95
+O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nccs1,CHEMBL590314,5.26
+Cn1ccnc1[C@H](O)[C@@H](O)C(=O)NCCc1cccs1,CHEMBL603133,4.97
+COc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078396,7.64
+COc1ccc2c(=O)n(CC3(C)NC(=O)NC3=O)[nH]c2c1,CHEMBL1078397,7.55
+CCOc1ccc2[nH]n(CC3(C)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1078398,6.68
+CC1(Cn2[nH]c3ccc(OCc4ccccc4)cc3c2=O)NC(=O)NC1=O,CHEMBL1087795,6.41
+CC1(Cn2[nH]c3cc(OCc4ccccc4)ccc3c2=O)NC(=O)NC1=O,CHEMBL1087291,7.0
+COc1cc2[nH]n(CC3(c4ccccc4)NC(=O)NC3=O)c(=O)c2cc1OC,CHEMBL1087292,7.28
+COc1ccc2[nH]n(CC3(c4ccccc4)NC(=O)NC3=O)c(=O)c2c1,CHEMBL1087293,8.22
+O=C1NC(=O)C(CN2Cc3ccccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1087294,8.4
+O=C1NC(=O)C(CN2Cc3ccccc3S2(=O)=O)(c2ccc(F)cc2)N1,CHEMBL1087930,5.98
+O=C1NC(=O)C(CN2CC3CCCCN3C2=O)(c2ccc(F)cc2)N1,CHEMBL1087931,5.56
+CC1(CN2Cc3cccnc3C2=O)NC(=O)NC1=O,CHEMBL1077188,5.32
+CC1(Cn2cc3[nH]cccc-3c2=O)NC(=O)NC1=O,CHEMBL1087303,4.6
+COc1cc2c(cn1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O,CHEMBL1087430,8.3
+COc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2,CHEMBL1088216,8.0
+CC[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O,CHEMBL1084659,7.25
+COc1ccc2c(c1)C(=O)N(CC1(c3ccccc3)NC(=O)NC1=O)C2,CHEMBL1084661,8.48
+O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)N1,CHEMBL1084904,8.05
+O=C1NC(=O)C(CN2Cc3ccc(Cl)cc3C2=O)(c2cccc(O)c2)N1,CHEMBL1090735,8.0
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(O)cc3)NC(=O)NC1=O)C2,CHEMBL1090736,8.8
+O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1077203,9.4
+O=C1NC(=O)C(CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1,CHEMBL1089041,8.26
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2,CHEMBL1089042,9.1
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2,CHEMBL1077216,9.15
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2,CHEMBL1092505,9.15
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2,CHEMBL1089727,8.96
+COc1ccc2c(c1)CN(CC1(c3ccccc3)NC(=O)NC1=O)C2=O,CHEMBL1089728,8.52
+O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1090059,9.3
+O=C1NC(=O)C(CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1090748,8.15
+O=C1NC(=O)[C@](CN2Cc3cc(OCC4CC4)ccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1090749,8.62
+O=C1NC(=O)C(CN2Cc3cc(OCc4ccncc4)ccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1091095,8.05
+O=C1NC(=O)[C@](CN2Cc3cc(OCCC4CCCCC4)ccc3C2=O)(c2ccc(F)cc2)N1,CHEMBL1093392,6.48
+Cc1cc(COc2ccc3c(c2)CN(CC2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1,CHEMBL1084412,8.77
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(Cl)cc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222723,8.7
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)cc3F)cc2)N1,CHEMBL1222801,8.7
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1,CHEMBL1222802,7.74
+COC(=O)c1ccc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)cc1,CHEMBL1222803,8.05
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C(N)=O)cc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222804,8.52
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2,CHEMBL1222866,9.3
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccnc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222867,9.11
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccncc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222868,9.22
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(N)c4)cc3)NC(=O)NC1=O)C2,CHEMBL1222869,8.85
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(=O)[nH]c3)cc2)N1,CHEMBL1222941,9.7
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c(=O)c(Cl)c3)cc2)N1,CHEMBL1222942,10.0
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncnc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222943,9.05
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccs4)cc3)NC(=O)NC1=O)C2,CHEMBL1222944,9.22
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2,CHEMBL1223004,8.92
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3cccnc3)cc2)N1,CHEMBL1223005,9.0
+Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1,CHEMBL1223006,9.3
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(C)c4)cc3)NC(=O)NC1=O)C2,CHEMBL1223007,9.06
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2,CHEMBL1223075,9.3
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(C4(C)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2,CHEMBL1223076,8.59
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5cn(C)nc5c4)cc3)NC(=O)NC1=O)C2,CHEMBL1223077,8.7
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5c(ccn5C)c4)cc3)NC(=O)NC1=O)C2,CHEMBL1223078,8.52
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4ncccc4c3)cc2)N1,CHEMBL1223153,9.1
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+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(-c5csc(C)n5)c4)cc3)NC(=O)NC1=O)C2,CHEMBL1223155,7.51
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(-c5ccccc5)no4)cc3)NC(=O)NC1=O)C2,CHEMBL1223223,7.55
+Cn1nnnc1-c1ccccc1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1,CHEMBL1223224,8.0
+O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1,CHEMBL1222721,7.54
+O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1,CHEMBL1222722,7.57
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(OC4CCCC4)cc3)NC(=O)NC1=O)C2,CHEMBL1222588,8.52
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccncc4)cc3)NC(=O)NC1=O)C2,CHEMBL1222652,8.15
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccc5cnccc5c4)cc3)NC(=O)NC1=O)C2,CHEMBL1222653,8.1
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)NC1=O)C2,CHEMBL1222654,8.22
+O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(N3CCCC3=O)cc2)N1,CHEMBL1222655,8.1
+COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(C(=O)N4CCCC4)cc3)NC(=O)NC1=O)C2,CHEMBL1222720,8.22
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3)NC(=O)NC1=O)C2,CHEMBL1287998,9.85
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3)NC(=O)NC1=O)C2,CHEMBL1288028,9.59
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(F)c3)NC(=O)NC1=O)C2,CHEMBL1288029,9.7
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3F)NC(=O)NC1=O)C2,CHEMBL1288059,9.89
+COc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1,CHEMBL1288060,9.39
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2,CHEMBL1288090,9.3
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C)c3)NC(=O)NC1=O)C2,CHEMBL1288091,9.14
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3C)NC(=O)NC1=O)C2,CHEMBL1288121,8.7
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C#N)c3)NC(=O)NC1=O)C2,CHEMBL1288122,10.22
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(N)=O)c3)NC(=O)NC1=O)C2,CHEMBL1288151,9.07
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N)=O)cc3)NC(=O)NC1=O)C2,CHEMBL1288152,9.25
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3C(N)=O)NC(=O)NC1=O)C2,CHEMBL1288182,8.56
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)NC4CC4)cc3)NC(=O)NC1=O)C2,CHEMBL1288183,8.59
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC(N)=O)cc3)NC(=O)NC1=O)C2,CHEMBL1288211,9.38
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(C)=O)cc3)NC(=O)NC1=O)C2,CHEMBL1288212,9.3
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C)N)cc3)NC(=O)NC1=O)C2,CHEMBL1288240,8.63
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]ccc4c3)NC(=O)NC1=O)C2,CHEMBL1288241,9.77
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4cc[nH]c4c3)NC(=O)NC1=O)C2,CHEMBL1288267,9.72
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4cnn(C)c4c3)NC(=O)NC1=O)C2,CHEMBL1288268,9.28
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4nc[nH]c4c3)NC(=O)NC1=O)C2,CHEMBL1288295,9.22
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c4c3)NC(=O)NC1=O)C2,CHEMBL1288296,9.28
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3)NC(=O)NC1=O)C2,CHEMBL1287851,9.21
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc[nH]c4c3)NC(=O)NC1=O)C2,CHEMBL1287852,9.04
+CCN1CCN(Cc2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)CC1,CHEMBL1287881,9.54
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCNCC4)cc3)NC(=O)NC1=O)C2,CHEMBL1287882,9.21
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC4CCN(C)CC4)nc3)NC(=O)NC1=O)C2,CHEMBL1287908,9.33
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(/C=N/O)cc3)NC(=O)NC1=O)C2,CHEMBL1287909,9.8
+CCN1CCN(/C(=N\O)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)CC1,CHEMBL1287939,9.8
+CCN1CCN(/C(=N\O)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cn2)CC1,CHEMBL1287969,9.74
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(/C(=N/O)N4CCN(C)CC4)cc3)NC(=O)NC1=O)C2,CHEMBL1287999,9.66
+COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ncccc4O)cc3)NC(=O)NC1=O)C2,CHEMBL1288000,10.15
+CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3F)n2)CC1,CHEMBL1288726,10.0
+COc1cc2c(cc1OC)[C@H](c1ccccc1)CN(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2,CHEMBL1770639,7.42
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1c1ccccc1)c1ccc(-n2cccn2)cc1,CHEMBL1770636,7.85
+COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2,CHEMBL1770638,9.05
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1,CHEMBL1770635,7.66
+COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2,CHEMBL1770637,8.59
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770634,7.06
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@H](O)CC1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770633,8.12
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC[C@H](O)C1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770632,8.17
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC=C[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770631,9.3
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770630,9.4
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1,CHEMBL1770629,9.085
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccn[nH]1)c1ccc(-n2cccn2)cc1,CHEMBL1770640,8.3
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccn(C)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770641,8.4
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1nccs1)c1ccc(-n2cccn2)cc1,CHEMBL1770642,8.0
+Cc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770643,8.0
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(N)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770644,8.22
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770645,8.15
+CCNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770646,8.15
+CCCNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770647,8.4
+CC(C)Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770648,7.77
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CC2)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770649,8.3
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CCC2)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770650,8.4
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2ccccc2F)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770651,9.0
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2cccnc2)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770652,8.7
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(N(C)C)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770653,7.19
+C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(N2CCCCC2)n1)c1ccc(-n2cccn2)cc1,CHEMBL1770654,7.41
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)s1,CHEMBL1770816,8.7
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C2CC2)s1,CHEMBL1770817,8.7
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(-c2ccc(F)cc2)s1,CHEMBL1770818,9.0
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)s1,CHEMBL1770819,8.7
+CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(S(C)(=O)=O)s1,CHEMBL1738754,9.4
+CNc1nc(C2(C)CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770820,8.05
+CCNc1nc([C@H]2C[C@@H](C)CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770821,8.22
+CNc1nc([C@H]2CC(F)(F)CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770822,8.4
+CNc1nc([C@H]2C=CCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770823,9.22
+CNc1nc([C@H]2C[C@H]3C[C@H]3N2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770824,9.0
+CNc1nc([C@H]2C[C@@H]3C[C@@H]3N2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770825,6.27
+CNc1nc([C@H]2c3ccccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770826,9.0
+CNc1nc([C@H]2c3cc(F)ccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770827,7.8
+CNc1nc([C@H]2c3ccc(F)cc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770828,8.7
+CCNc1nc([C@H]2c3cnc(N)nc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1,CHEMBL1770829,9.3
+O=C(NCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779631,7.35
+O=C(NCc1ccc(Cc2ccccc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779594,7.7
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1,CHEMBL1779603,7.92
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccncc2)s1,CHEMBL1779604,7.44
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccn2)s1,CHEMBL1779605,8.1
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccs2)s1,CHEMBL1779606,8.4
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2nccs2)s1,CHEMBL1779607,8.05
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2csc(N)n2)s1,CHEMBL1779608,8.7
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1,CHEMBL1779609,9.3
+O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1,CHEMBL1779610,9.7
+O=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779611,7.66
+N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1,CHEMBL1779612,7.77
+O=C(NCc1ccc(-c2ccccc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779613,8.22
+O=C(NCc1ccc(-c2ccccc2)nc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779614,6.51
+N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)CC1,CHEMBL1779615,8.4
+N#Cc1ccccc1N1CC2C(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3ccccc3)C2C1,CHEMBL1779616,7.92
+C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779617,8.7
+C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779618,6.5
+O=C(NCc1ccc(-c2cccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779619,7.44
+O=C(NCc1ccc(-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779620,7.82
+N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1,CHEMBL1779621,8.3
+O=C(NCc1ccc(-c2cccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779622,7.55
+O=C(NCc1ccc(-c2ccsc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779623,7.89
+N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1,CHEMBL1779624,8.7
+O=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,CHEMBL1779625,8.1
+O=C(NCc1ccc(-c2csnn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1777832,8.52
+O=C(NCc1ccc(-c2cscn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779626,7.74
+O=C(NCc1ccc(-c2nccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779627,7.13
+Cc1nc2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1,CHEMBL1779628,6.53
+O=C(NCc1ccc(-n2ccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779629,6.57
+O=C(NCc1ccc(-n2cccn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1,CHEMBL1779630,8.4
+O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779595,8.03
+O=C(NCc1ccc(Cc2cccc(Cl)c2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779596,7.32
+O=C(NCc1ccc(Cc2ccc(Cl)cc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779597,7.43
+COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1,CHEMBL1779598,8.52
+O=C(NCc1ccc(Cc2ccsc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779599,7.96
+O=C(NCc1ccc(Cn2ccnc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1779600,7.43
+Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1,CHEMBL1779602,8.4
+O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,CHEMBL1230339,8.7
diff --git a/chembl_200/CHEMBL3717.csv b/chembl_200/CHEMBL3717.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e3db6d1228cfabdb04359af4bec503c18f1f5000
--- /dev/null
+++ b/chembl_200/CHEMBL3717.csv
@@ -0,0 +1,524 @@
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.1
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL460465,8.98
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL445799,8.57
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL461293,8.89
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL460468,8.94
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL518174,9.0
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL459647,8.1
+CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL460466,9.0
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL460472,8.947000000000001
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.6
+COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4)nc3)c2cc1OC,CHEMBL472552,7.3
+COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC,CHEMBL461998,7.1
+COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCCC4)nc3)c2cc1OC,CHEMBL461120,6.3
+COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCC4)nc3)c2cc1OC,CHEMBL461119,6.3
+COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccc4)nc3)c2cc1OC,CHEMBL459892,6.0
+COc1cc2nccc(Oc3ccc(NC(=O)NCC(=O)N4CCCCC4)nc3)c2cc1OC,CHEMBL518357,5.55
+COc1cc2nccc(Oc3ccc(NC(=O)NCC(=O)N4CCCC4)nc3)c2cc1OC,CHEMBL462171,5.19
+COc1cc2nccc(Oc3ccc(NC(=O)NCCc4ccccc4)nc3)c2cc1OC,CHEMBL461118,6.0
+COc1cc2nccc(Oc3ccc(NC(=O)NC4CCCCC4)nc3)c2cc1OC,CHEMBL460944,5.3
+COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccn4)nc3)c2cc1OC,CHEMBL462357,5.1
+COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)nc3)c2cc1OC,CHEMBL518511,6.4
+COc1cc2nccc(Oc3ccc(NC(C)=O)nc3)c2cc1OC,CHEMBL462183,5.15
+COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cn3)c2cc1OC,CHEMBL510112,8.52
+COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC,CHEMBL205372,8.7
+COc1cc2nccc(Oc3ccc4nc(NC(=O)Cc5ccccc5)sc4c3)c2cc1OC,CHEMBL460791,7.77
+COc1cc2nccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC,CHEMBL460774,7.05
+COc1cc2nccc(Oc3ccc(-c4ccc(Cc5ccccc5)nn4)cc3F)c2cc1OC,CHEMBL460772,6.7
+COc1cc2nccc(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL461648,7.41
+COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(C(F)(F)F)cc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL447894,6.87
+COc1cc2nccc(Oc3ccc(-c4cnc(Nc5cccc(F)c5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL461832,7.42
+COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL453737,8.31
+COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL461831,7.85
+COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccccc5F)n(C)c4=O)cc3F)c2cc1OC,CHEMBL462493,7.35
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccc(F)cc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL444560,7.77
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccc(C)cc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL452680,8.02
+COc1cc2nccc(Oc3ccc(-c4cnc(C(NC(=O)N(C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL449159,6.43
+COc1cc2nccc(Oc3ccc(-c4cnc(C(NC(=O)CCSC)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL500536,7.28
+CCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C,CHEMBL508350,7.15
+COc1cc2nccc(Oc3ccc(-c4cnc(C(NC(=O)CN(C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL500834,7.52
+COc1cc2nccc(Oc3ccc(-c4cnc(C(N)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC,CHEMBL459948,7.14
+COc1cc2nccc(Oc3ccc(-c4c(C)[nH]c(Cc5ccccc5)nc4=O)cc3F)c2cc1OC,CHEMBL460795,6.31
+COc1cc2nccc(Oc3ccc(-c4c[nH]c(Cc5ccccc5)nc4=O)cc3F)c2cc1OC,CHEMBL460586,6.97
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCC(O)CC1,CHEMBL445958,7.48
+CCN1CCN(CCCOc2cc3nccc(Oc4ccc(-c5cnc(Cc6ccccc6)n(C)c5=O)cc4F)c3cc2OC)CC1,CHEMBL451069,7.68
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1,CHEMBL449833,8.04
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCn1cncn1,CHEMBL502331,7.54
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCCC1,CHEMBL450209,7.92
+COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1,CHEMBL505896,8.05
+COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccnc2cc1OCCCN1CCOCC1,CHEMBL447602,8.47
+C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL601719,8.55
+COc1ccc2c(OCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1,CHEMBL494793,8.15
+Oc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1,CHEMBL496101,5.91
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.9
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,6.0
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,5.8
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.4
+O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL297453,5.48
+COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL573761,8.77
+COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,CHEMBL567908,8.8
+COc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,CHEMBL585293,6.85
+COc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1,CHEMBL565843,8.57
+COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,CHEMBL566685,8.49
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.6
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.9
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1c(Cl)cccc1Cl,CHEMBL1824866,6.34
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1,CHEMBL1824867,5.1
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1F,CHEMBL1824868,5.55
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1Cl,CHEMBL1824869,5.77
+N#Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N,CHEMBL1824870,5.19
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1C(F)(F)F,CHEMBL1824871,5.59
+CC(C)(C)c1ccc(COc2cc(-c3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3)cnc2N)cc1,CHEMBL1824872,6.01
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccc(Cl)cc1Cl,CHEMBL1824873,5.99
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1c(F)cccc1Cl,CHEMBL1824874,5.29
+Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl,CHEMBL1824875,6.06
+CC(Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl,CHEMBL1824876,6.59
+CC(Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl,CHEMBL1824877,7.17
+CC(Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824878,7.92
+CC(Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824879,5.14
+CC(Oc1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824880,5.18
+CC(Oc1cc(C#N)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824881,5.12
+CC(Oc1cc(NC(=O)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824882,5.7
+CC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824883,5.99
+CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824884,7.46
+CC(Oc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824885,7.12
+CC(Oc1cc(-c2ccc(C(=O)N3C[C@H](C)N[C@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824886,7.39
+CC(Oc1cc(-n2cccn2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824887,5.5
+CC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824888,6.62
+CC(Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824889,6.11
+CC(Oc1cc(-c2cnoc2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824890,6.7
+CC(Oc1cc(-c2cc[nH]n2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824891,6.46
+CC(Oc1cc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824892,7.09
+Cc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1,CHEMBL1824893,6.64
+CC(Oc1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824894,7.34
+CC(Oc1cc(-c2cnn(C(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1821759,7.43
+CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1824895,7.22
+CC(Oc1cc(-c2cnn(CC(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825130,7.31
+CC(Oc1cc(-c2cnn(CC3(O)CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825131,7.34
+CC(Oc1cc(-c2cnn(CC3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825132,7.15
+CC(Oc1cc(-c2cnn(CC3CN(CC(N)=O)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825133,7.63
+CC(Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825134,7.45
+CC(Oc1cc(-c2cnn([C@H]3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825135,7.59
+CC(Oc1cc(-c2cnn(C3CCCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825136,7.85
+CC(Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825137,7.42
+Nc1ncc(-c2ccc(O)cc2)cc1OCc1c(Cl)cccc1Cl,CHEMBL1825139,5.42
+Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(Cl)cccc1Cl,CHEMBL1825140,5.61
+C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825141,6.79
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.0
+Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1835870,6.89
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.2
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.2
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.2
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.4
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,5.6
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.0
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.5
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.5
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCOC)ccc3n2)c1,CHEMBL1997433,5.6
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.1
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.6
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.65
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.3
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.7
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.7
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.7
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.7
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.4
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.6
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.1
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.0
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.9
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.0
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.4
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.0
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.3
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.0
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.7
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,6.0
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,6.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,7.8
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,5.7
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.3
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.5
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.0
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.7
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,5.7
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.7
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,6.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,5.9
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.9
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,4.3
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.4
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.6
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,7.2
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.1
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,7.3
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.7
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.1
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.6
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,5.7
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.1
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.5
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.4
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.6
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.7
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.1
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.1
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,4.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,7.0
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.5
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.7
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,7.4
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,7.9
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.6
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.8
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,5.8
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.6
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.4
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.3
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.4
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL1968606,6.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.5
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,5.6
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.0
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,7.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.5
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.8
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,7.0
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.2
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.9
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.4
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,6.1
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.4
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,6.0
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,7.9
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,8.5
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.4
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,7.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.2
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.6
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.5
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.5
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.6
+CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,CHEMBL399530,5.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.4
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.2
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,6.3
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.9
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,7.5
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.7
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.1
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.5
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.0
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.9
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.5
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.4
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.6
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.8
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,8.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.7
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.3
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.6
+Oc1ccc(Cl)cc1C1=NNC(c2ccc3c(c2)OCCO3)C1,CHEMBL1965789,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.3
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,5.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.6
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,5.6
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.7
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,6.5
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,5.7
+Cc1csc2nc(N)nn12,CHEMBL1965838,4.1
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.3
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,5.7
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.8
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.5
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,7.3
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.5
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.8
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.8
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.9
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,5.8
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.3
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.1
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.9
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.2
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.3
+CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,CHEMBL1998477,5.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.2
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.4
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.3
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.5
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.6
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,5.6
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.0
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.7
+C=C(C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2032023,9.05
+CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032022,8.96
+CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032021,8.8
+CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2032020,8.64
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032019,9.15
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032018,9.15
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cnccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032017,8.92
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032016,9.1
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032015,9.22
+COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032014,9.22
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032013,8.96
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031913,8.92
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031912,9.22
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031911,9.05
+COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031910,7.66
+COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031909,8.14
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C(C)(C)N)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031908,7.55
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031907,8.85
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031906,8.82
+CCN(C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C,CHEMBL2031905,8.64
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CNC(=O)OC(C)(C)C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031904,7.54
+COc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2031903,8.85
+COc1ccc2c(Oc3cnc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031902,7.78
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2031901,8.92
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC,CHEMBL2031900,8.72
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(OC)c3)ccnc2c1,CHEMBL2031899,7.89
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(Cl)c3)c2cc1OC,CHEMBL2031898,7.8
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cn3)c2cc1OC,CHEMBL2031897,7.27
+CCc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OC,CHEMBL2031896,8.62
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1C,CHEMBL2031895,8.47
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1Br,CHEMBL2031894,8.29
+COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC,CHEMBL2031893,9.0
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC5CNC(=O)O5)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032032,8.36
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032031,9.1
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)C(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032030,8.89
+CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1,CHEMBL2029375,9.05
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032029,9.1
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032028,8.72
+COCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1,CHEMBL2032027,8.85
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1,CHEMBL2032026,9.4
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032025,8.85
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,CHEMBL2032024,8.41
+COc1cc2nccc(Oc3ccc(NC(=O)C4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL2032033,7.86
+COc1cc2nccc(Oc3ccc(NC(=O)C4(C)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL2032034,7.25
+COc1cc2nccc(Oc3ccc(NC(=O)C4(F)CCN(c5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL2032035,6.85
+COc1cc2nccc(Oc3ccc(NC(=O)C4CCN(Cc5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL2032036,7.22
+COc1cc2nccc(Oc3ccc(NC(=O)N4CCC(Cc5ccccc5)C4=O)cc3F)c2cc1OC,CHEMBL2032037,7.42
+COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)cn34)ccnc2c1,CHEMBL2032039,8.32
+Cc1ccc(Cl)c2c1[nH]c1nc3nnc(Cc4ccc(O)cc4)n3nc12,CHEMBL2170956,6.97
+Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(O)cc1,CHEMBL2170969,8.89
+CN(C)CCOc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170809,6.97
+CN1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1,CHEMBL2170808,7.43
+OC1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1,CHEMBL2170807,7.68
+N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1,CHEMBL2170806,8.15
+CN(C)CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170805,6.85
+OCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170955,8.05
+CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170954,8.4
+Nc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170953,7.82
+Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1,CHEMBL2170952,7.47
+c1cnc2ccc(Cn3nnc4nccnc43)cc2c1,CHEMBL2170951,7.17
+c1cnc2ccc(Cn3nnc4ncc(-c5cnn(C6CCNCC6)c5)nc43)cc2c1,CHEMBL2170950,7.86
+c1cnc2ccc(Cn3nnc4ncc(-c5cnn([C@@H]6CCNC6)c5)nc43)cc2c1,CHEMBL2170949,8.21
+O=C1CCCN1CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,CHEMBL2170948,7.21
+c1cnc2ccc(Cn3nnc4ncc(-c5cnn(CCN6CCCC6)c5)nc43)cc2c1,CHEMBL2170947,7.36
+CN(C)CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,CHEMBL2170946,7.7
+CC(C)(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,CHEMBL2170820,7.72
+O=C(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,CHEMBL2170819,8.22
+c1cnc2ccc(Cn3nnc4ncc(-c5cn[nH]c5)nc43)cc2c1,CHEMBL2170818,9.0
+Cn1cc(-c2cnc3nnn(Cc4ccc5ncncc5c4)c3n2)cn1,CHEMBL2170817,7.36
+Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,CHEMBL2170816,8.22
+Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)OCCO5)c3n2)cn1,CHEMBL2170815,7.46
+Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1,CHEMBL2170814,7.23
+COc1ccc(Cn2nnc3ncc(-c4cnn(C)c4)nc32)cc1,CHEMBL2170813,7.09
+Fc1ccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1,CHEMBL2169896,8.32
+Fc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1,CHEMBL2170812,6.19
+COc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1,CHEMBL2170811,7.14
+Oc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1,CHEMBL2170810,7.7
+N#Cc1ccc(-c2cnc3nnc(Cc4c[nH]c5ncccc45)n3n2)cc1,CHEMBL2170968,8.4
+Fc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1,CHEMBL2170967,8.22
+CNc1snc(SCc2nnc3ncc(-c4ccc(F)cc4)nn23)c1C(N)=O,CHEMBL2170966,8.7
+Fc1ccc(-c2cnc3nnc(CSc4ncnc5n[nH]cc45)n3n2)cc1,CHEMBL2170965,6.73
+Fc1ccc(-c2cnc3nnc(COc4ccnc5ccsc45)n3n2)cc1,CHEMBL2170964,6.37
+Fc1ccc(-c2cnc3nnc(COc4cccnc4)n3n2)cc1,CHEMBL2170963,5.13
+O=c1ccn(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1,CHEMBL2170962,5.19
+Oc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1Cl,CHEMBL2170961,7.29
+Fc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1,CHEMBL2170960,6.42
+COc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1,CHEMBL2170959,7.16
+Oc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1,CHEMBL2170957,7.96
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,5.8
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12,CHEMBL2431819,7.99
+Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F,CHEMBL2431839,7.36
+N#Cc1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1,CHEMBL2429888,7.89
+N#Cc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1,CHEMBL2431840,7.62
+Nc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1,CHEMBL2431820,6.42
+CN(C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1,CHEMBL2431821,6.6
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(F)c(F)c3)nn12,CHEMBL2431822,8.4
+COc1ccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)cc1F,CHEMBL2431823,8.4
+COc1ccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)cc1C,CHEMBL2431824,8.52
+Cc1cccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)c1,CHEMBL2431825,8.3
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12,CHEMBL2431826,8.4
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(C#N)cc3)nn12,CHEMBL2431827,8.1
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3C#N)nn12,CHEMBL2431828,8.22
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc4c(c3)OCCO4)nn12,CHEMBL2431829,8.4
+CNC(=O)c1ccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)cc1,CHEMBL2431830,8.15
+CCS(=O)(=O)c1ccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)cc1,CHEMBL2431831,7.62
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(S(C)(=O)=O)cc3)nn12,CHEMBL2431832,7.92
+C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(N(C)C)nc3)nn12,CHEMBL2431833,8.1
+C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21,CHEMBL2431834,8.85
+C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21,CHEMBL2431835,8.55
+CC(C)Nc1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1,CHEMBL2431836,8.15
+Cn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1,CHEMBL2431837,7.05
+C[C@@H](c1c[nH]c2ncccc12)c1nnc2ccc(-c3cnn(C)c3)nn12,CHEMBL2431838,7.8
+C[C@@H](c1c[nH]c2ncccc12)c1nnc2ccc(-c3ccc(C#N)cc3)nn12,CHEMBL2431815,7.83
+CC(C)Nc1ccc2nnc([C@@H](C)c3c[nH]c4ncccc34)n2n1,CHEMBL2431816,8.0
+CCNc1ccc2nnc([C@@H](C)c3c[nH]c4ncccc34)n2n1,CHEMBL2431817,7.78
+Oc1ccc(Cc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1,CHEMBL2431818,6.5
+Fc1cc(-c2ccccc2)cn2c(Cc3ccc4ncccc4c3)nnc12,CHEMBL3414733,7.44
+O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCCC1,CHEMBL3668206,6.4
+NC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,CHEMBL3663578,4.7
+c1ccc(-c2ccc3nnc(Cn4nnc5cnccc54)n3n2)cc1,CHEMBL3663579,5.18
+c1ccc(-c2ccc3nnc(Cn4cnc5cnccc54)n3n2)cc1,CHEMBL3663580,5.18
+COc1ccc2c(OCc3nnc4ccc(-c5ccc(-c6nc(C)no6)c(Cl)c5)nn34)ccnc2c1,CHEMBL3663581,8.03
+COc1ccc2c(OCc3nnc4ccc(-c5cn(C)nn5)cn34)ccnc2c1,CHEMBL3663582,8.18
+COc1ccc2c(S(=O)Cc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,CHEMBL3663583,5.72
+COc1ccc2c(OCc3nnc4ccc(C#CCN(C)C)nn34)ccnc2c1,CHEMBL3663584,6.25
+O=c1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)cc[nH]c-2c1,CHEMBL3663585,6.09
+COc1ccc2c(OCc3nnn4ccc(-c5ccccc5)cc34)ccnc2c1,CHEMBL3663586,6.88
+COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1,CHEMBL3663587,7.76
+C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1,CHEMBL3663588,7.14
+COc1cnc2c(NCc3nnc4ccc(-c5cc(C)no5)nn34)ccnc2c1,CHEMBL3663589,7.8
+COc1ccc2c(OCc3nnc4ccc(-c5cccc(=O)[nH]5)cn34)ccnc2c1,CHEMBL3663590,7.43
+Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1,CHEMBL3663591,7.3
+COc1cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc2c1,CHEMBL3663592,8.12
+COc1ccc2c(OCc3cnc4ccc(-c5ccccc5)cn34)ccnc2c1,CHEMBL3663593,5.37
+COc1ccc2c(OCc3nnc4ccc(-c5ccc6nccn6c5)nn34)ccnc2c1,CHEMBL3663594,7.92
+COc1ccc2c(OCc3nnc4ccc(C#CC(C)(C)O)nn34)ccnc2c1,CHEMBL3663595,7.62
+COc1cnc2c(NCc3nnc4ccc(-c5ccc6c(c5)CN(C)C6=O)nn34)ccnc2c1,CHEMBL3668130,8.3
+COc1cnc2c(NCc3nnc4ccc(-c5cnn(C(C)C)c5)nn34)ccnc2c1,CHEMBL3668131,8.17
+COc1cnc2c(NCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1,CHEMBL3668132,9.05
+COc1ccc2c(OCc3cnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1,CHEMBL3668133,5.69
+COc1ccc2c(OCc3nnc4ccc(-c5cnn(C6CCNCC6)c5)nn34)ccnc2c1,CHEMBL3668134,7.07
+c1ccc(Nc2nccc(NCc3nnc4ccc(-c5ccccc5)nn34)n2)cc1,CHEMBL3668135,6.4
+COc1cnc2c(OCc3cnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1,CHEMBL3668136,8.77
+Oc1ccc(Cc2nnc3ccc(-c4ccccn4)cn23)cc1,CHEMBL3668137,6.12
+Oc1ccc(Cc2nnc3ccc(-c4cnccn4)cn23)cc1,CHEMBL3668138,6.25
+Oc1ccc(Cc2nnc3ccc(-c4ccc[nH]4)cn23)cc1,CHEMBL3668139,6.43
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+CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1,CHEMBL3668141,7.89
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+C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12,CHEMBL3668143,7.08
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+COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CCC(=O)N6)nn34)ccnc2c1,CHEMBL3668169,8.62
+COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OC(C)(C)C6)nn34)ccnc2c1,CHEMBL3668170,8.12
+COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1,CHEMBL3668171,7.63
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+COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1,CHEMBL3668173,8.33
+COc1ccc2c(OCc3nnc4ccc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)nn34)ccnc2c1,CHEMBL3668174,7.4
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+COc1ccc2c(OCc3nnc4ccc(-c5ncc(C)s5)cn34)ccnc2c1,CHEMBL3668177,7.71
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+COc1ccc2c(OCc3nnc4ccc(-c5ccccn5)cn34)ccnc2c1,CHEMBL3668179,8.02
+COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)cn34)ccnc2c1,CHEMBL3668180,7.28
+COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CC(=O)N6)cn34)ccnc2c1,CHEMBL3668181,8.55
+COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1,CHEMBL3668182,7.57
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+COc1ccc2c(OCc3nnc4ccc(-c5cc(C)no5)cn34)ccnc2c1,CHEMBL3668184,8.49
+COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)cs5)cn34)ccnc2c1,CHEMBL3668185,9.52
+Brc1ccc2nnc(Cc3ccc4ncccc4c3)n2c1,CHEMBL3668186,7.31
+COc1cnc2c(NCc3nnc4ccc(-c5ccc6ncsc6c5)nn34)ccnc2c1,CHEMBL3668187,8.7
+COc1cnc2c(NCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1,CHEMBL3668188,8.15
+c1ccc(-c2ccc3nnc(CCc4ccnc5[nH]ccc45)n3n2)cc1,CHEMBL3668189,5.48
+c1ccc(-c2ccc3nnc(Cc4cccc5cnccc45)n3n2)cc1,CHEMBL3668190,6.66
+COc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1,CHEMBL3668191,6.07
+Oc1ccc(Cc2nnc3ccc(-c4cccnc4)nn23)cc1,CHEMBL3668192,6.07
+Oc1ccc(Cc2nnc3ccc(-c4ccc[nH]4)nn23)cc1,CHEMBL3668193,6.62
+COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,CHEMBL3668194,5.79
+c1ccc(-c2ccc3nnc(CCc4cccnc4)n3n2)cc1,CHEMBL3668195,4.7
+Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)sn1,CHEMBL3668201,6.4
+c1ccc(-c2ccc3nnc(Cc4ccc5nccnc5c4)n3n2)cc1,CHEMBL3668196,6.97
+Nc1ncc2cc(Cc3nnc4ccc(-c5ccccc5)nn34)ccc2n1,CHEMBL3668197,6.38
+Cc1csc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1,CHEMBL3668198,9.15
+O=c1ccc2c(ccn2Cc2nnc3ccc(-c4ccccc4)nn23)[nH]1,CHEMBL3668199,6.14
+Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)c1,CHEMBL3668200,10.0
+CC(O)(c1ccc2ncccc2c1)c1cnc2ccc(-c3ccccc3)nn12,CHEMBL3668202,6.46
+Fc1cc(F)cc(-c2cnc3onc(C(F)(F)c4ccc5ncccc5c4)c3c2)c1,CHEMBL3668203,6.6
+Cn1cc(-c2cnc3onc(C(F)(F)c4ccc5ncccc5c4)c3c2)cn1,CHEMBL3668207,6.77
+C[C@H](c1ccc2ncccc2c1)c1noc2ncc(-c3cnn(C)c3)cc12,CHEMBL3668208,7.54
+FC(F)(c1ccc2ncccc2c1)c1noc2ncc(-c3cc[nH]n3)cc12,CHEMBL3668204,7.92
+Fc1cc(F)cc(-c2ccc3onc(C(F)(F)c4ccc5ncccc5c4)c3n2)c1,CHEMBL3668205,6.74
+COc1cnc2c(NCc3coc4ccc(-c5cc(F)cc(F)c5)nc34)ccnc2c1,CHEMBL3668209,6.2
+O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12,CHEMBL2103882,6.45
diff --git a/chembl_200/CHEMBL3729.csv b/chembl_200/CHEMBL3729.csv
new file mode 100644
index 0000000000000000000000000000000000000000..aaa1c257f15bea7f76c50d42ab28e2aaf19ea7b2
--- /dev/null
+++ b/chembl_200/CHEMBL3729.csv
@@ -0,0 +1,346 @@
+CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL220491,5.4
+NS(=O)(=O)c1ccccc1NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,CHEMBL289672,6.26
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2I)CC(=O)O)CC(=O)O)c(I)c1,CHEMBL30168,7.62
+Cn1nc(S(N)(=O)=O)sc1=N,CHEMBL6753,6.45
+NS(=O)(=O)c1ccc(COC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL34974,6.58
+Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)O)CC(=O)O,CHEMBL154106,8.05
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(F)c1,CHEMBL32732,7.54
+Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,CHEMBL289888,7.72
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL34317,8.22
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)CC(=O)O)s1,CHEMBL285516,8.1
+NS(=O)(=O)c1ccc(NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NNc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL262389,6.37
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c2Cl)CC(=O)O)CC(=O)O)c(Cl)c1Cl,CHEMBL32208,7.6
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL284694,6.81
+NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)CC(=O)O)cc2s1,CHEMBL286586,8.22
+Nc1ccccc1S(N)(=O)=O,CHEMBL6705,5.88
+NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,CHEMBL13646,6.9
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL32096,7.44
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(Br)c1,CHEMBL34768,7.57
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(I)c1,CHEMBL32982,7.54
+NNc1ccc(S(N)(=O)=O)cc1,CHEMBL7204,5.3
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL286449,7.43
+NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL286297,7.4
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)CC(=O)O)CC(=O)O)c(Br)c1,CHEMBL287316,7.68
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL32836,6.74
+NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)s1,CHEMBL416410,7.8
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)CC(=O)O)CC(=O)O)c(F)c1,CHEMBL35338,7.74
+NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Oc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)CC(=O)O)cc2s1,CHEMBL408856,8.3
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(Cl)c1Cl,CHEMBL284617,7.44
+NS(=O)(=O)c1ccccc1NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc1ccccc1S(N)(=O)=O)CC(=O)O)CC(=O)O,CHEMBL35528,6.48
+Nc1nnc(S(N)(=O)=O)s1,CHEMBL265674,6.11
+NS(=O)(=O)c1ccc(COC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL408857,6.77
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1Cl,CHEMBL290348,7.28
+NS(=O)(=O)c1ccc(CCO)cc1,CHEMBL6784,6.35
+NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL34852,8.3
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+NCCc1ccc(S(N)(=O)=O)cc1,CHEMBL7087,5.525
+Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL266240,6.61
+NS(=O)(=O)c1ccc(CCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL35385,6.94
+Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl,CHEMBL269628,6.76
+Nc1ccc2nc(S(N)(=O)=O)sc2c1,CHEMBL35118,7.72
+NS(=O)(=O)c1ccc(NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL286549,6.2
+NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1,CHEMBL286862,7.6
+NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC(=O)O)CC(=O)O)cc1Cl,CHEMBL284831,7.39
+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)CC(=O)O)s1,CHEMBL432083,8.15
+Nc1ccc(S(N)(=O)=O)cc1Cl,CHEMBL7092,6.42
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c(Cl)c1,CHEMBL32160,7.49
+Nc1ccc(S(N)(=O)=O)cc1Br,CHEMBL6724,7.1
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c1,CHEMBL36525,6.3
+NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC(=O)O)CC(=O)O)c1,CHEMBL287145,6.37
+NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)CC(=O)O)CC(=O)O)c(Cl)c1,CHEMBL284398,7.57
+NS(=O)(=O)c1nc2ccc(O)cc2s1,CHEMBL6685,7.77
+NS(=O)(=O)c1nc2ccc(OCCO)cc2s1,CHEMBL287117,7.82
+NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)s1,CHEMBL32606,7.55
+NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2s1,CHEMBL415466,8.05
+NS(=O)(=O)c1ccc(CO)cc1,CHEMBL6919,6.25
+NS(=O)(=O)c1ccc(CCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1,CHEMBL35043,6.72
+NCc1ccc(S(N)(=O)=O)cc1,CHEMBL419,5.31
+[CH+]=NO,CHEMBL185198,4.52
+O=C(O)CC(=O)O,CHEMBL359504,5.55
+C=C(O)C(=O)O,CHEMBL181886,4.84
+O=C(O)CC(O)C(=O)O,CHEMBL182856,4.27
+O=C(O)CC(O)(CC(=O)O)C(=O)O,CHEMBL1355,7.0
+O=C(O)c1c(F)c(F)cc(F)c1F,CHEMBL368444,4.13
+NC(=O)OP(=O)(O)O,CHEMBL186043,5.0
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL118,6.06
+Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O,CHEMBL418,5.32
+Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL266026,7.08
+CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL220492,5.31
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865,5.87
+OB(O)c1ccccc1,CHEMBL21485,6.06
+O=[As](O)(O)c1ccccc1,CHEMBL364571,6.06
+O=P(O)(O)c1ccccc1,CHEMBL179801,5.27
+O=C(O)C[C@H](NC(=O)CP(=O)(O)O)C(=O)O,CHEMBL504802,7.1
+O=C(NO)Nc1ccc(Cl)c(Cl)c1,CHEMBL213348,6.05
+CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL283695,6.03
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)Nc5nnc(S(N)(=O)=O)s5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395981,4.05
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)NCc5ccc(S(N)(=O)=O)cc5)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL395734,6.17
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4F)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL233019,4.36
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4Cl)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232816,5.98
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(S(N)(=O)=O)c4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232617,4.51
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL232616,8.0
+CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(S(N)(=O)=O)cc4)OC(C)(C)O[C@H]3[C@@H]2O1,CHEMBL390035,6.07
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,CHEMBL1054,6.35
+NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,CHEMBL262628,5.05
+NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,CHEMBL35,6.25
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CHEMBL406,6.67
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHEMBL1055,6.71
+Oc1ccccc1O,CHEMBL280998,4.96
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,4.94
+O=C(O)c1ccccc1O,CHEMBL424,4.95
+Oc1ccc(O)cc1,CHEMBL537,4.97
+NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,CHEMBL286738,7.62
+NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,CHEMBL476937,6.07
+NS(=O)(=O)Nc1nncs1,CHEMBL449527,5.05
+CCc1nnc(NS(N)(=O)=O)s1,CHEMBL500977,5.06
+CC(C)(C)c1nnc(NS(N)(=O)=O)s1,CHEMBL475775,5.08
+NS(=O)(=O)Nc1nnc(C(F)(F)F)s1,CHEMBL499560,5.36
+CSc1nnc(NS(N)(=O)=O)s1,CHEMBL459356,5.08
+CCSc1nnc(NS(N)(=O)=O)s1,CHEMBL451538,5.12
+NS(=O)(=O)Nc1nnc(-c2ccccc2)s1,CHEMBL475776,5.26
+COc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1,CHEMBL443769,5.06
+NS(=O)(=O)Nc1nnc(-c2ccc(Br)cc2)s1,CHEMBL482149,5.0
+CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1,CHEMBL482150,5.21
+S=C(S)S,CHEMBL471245,5.0
+CCN(CC)C(=S)S,CHEMBL107217,5.19
+NS(=O)(=O)c1ccc2nc(-c3cscn3)[nH]c2c1,CHEMBL455271,7.31
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,5.34
+Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,CHEMBL255863,6.35
+CCCCCCCCOS(N)(=O)=O,CHEMBL24261,7.1
+CCCCCCCCCCOS(N)(=O)=O,CHEMBL153094,7.17
+NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,CHEMBL182455,7.08
+NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,CHEMBL171476,7.04
+COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C,CHEMBL572366,5.42
+COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,CHEMBL58323,6.28
+O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1,CHEMBL578167,4.93
+NCc1ccc2oc(=O)ccc2c1,CHEMBL567139,4.82
+O=c1ccc2cc(CO)ccc2o1,CHEMBL571738,5.11
+CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CHEMBL568385,5.14
+CCOC(=O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568173,5.04
+O=C(O)c1cc2ccccc2sc1=O,CHEMBL571519,4.55
+COc1cccc2cc(C(=O)O)c(=O)oc12,CHEMBL568348,4.5
+O=C(O)c1cc2cc(CO)ccc2oc1=O,CHEMBL568417,4.5
+Cc1ccc2oc(=O)c(C(=O)O)cc2c1,CHEMBL577123,5.07
+O=C(O)c1cc2ccccc2oc1=O,CHEMBL83294,5.01
+COc1ccc2c(C(=O)O)cc(=O)oc2c1,CHEMBL12567,4.57
+O=c1ccc2ccc(CCc3ccccc3)cc2o1,CHEMBL567544,4.43
+O=c1ccc2ccc(OCc3ccccc3)cc2o1,CHEMBL145781,5.24
+CCCCOc1ccc2ccc(=O)oc2c1,CHEMBL571514,4.21
+CCOc1ccc2ccc(=O)oc2c1,CHEMBL191528,4.45
+COc1ccc2ccc(=O)oc2c1,CHEMBL49732,5.08
+CCN(C(=O)CCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL568854,5.36
+CCN(C(=O)c1ccc(CO[N+](=O)[O-])cc1)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL570894,7.34
+CCN(C(=O)OCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL584939,6.74
+CCN(C(=O)OCCCCO[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL585756,6.47
+CCN(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL571337,5.41
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,5.1
+COc1cc(C(=O)O)cc(OC)c1O,CHEMBL1414,4.97
+O=C(O)c1cc(O)c(O)c(O)c1,CHEMBL288114,5.01
+COc1cc(/C=C/C(=O)O)ccc1O,CHEMBL32749,4.97
+O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,5.0
+O=C(O)/C=C/c1ccc(O)cc1,CHEMBL66879,5.02
+O=C(O)c1ccc(O)cc1,CHEMBL441343,5.11
+Oc1ccccc1,CHEMBL14060,5.02
+O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CHEMBL6246,5.04
+CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,CHEMBL190447,5.06
+Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,CHEMBL71611,7.82
+NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209038,6.46
+NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1,CHEMBL1209039,6.38
+CN(C)CCN(C)CCN(C)CCN(C)C,CHEMBL1214194,7.28
+NCCCCCCN,CHEMBL303004,6.35
+NCCCCCN,CHEMBL119296,7.28
+NCCNc1cccc2ccccc12,CHEMBL1214195,7.24
+NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12,CHEMBL25101,7.74
+O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F,CHEMBL1214248,6.94
+CC(=O)NCCNc1cccc2ccccc12,CHEMBL1214323,4.91
+NCCNCCNCCN,CHEMBL609,4.46
+NCCCNCCCCNCCCN,CHEMBL23194,8.0
+NCCCCNCCCN,CHEMBL19612,6.95
+NCCNCCCNCCN,CHEMBL1214193,4.36
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CHEMBL165,5.35
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,CHEMBL926,5.05
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CHEMBL116438,5.3
+Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CHEMBL206452,5.31
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CHEMBL1401508,5.05
+O=C(O)/C=C/c1ccccc1O,CHEMBL52564,4.21
+NS(=O)(=O)c1ccc(C(=O)OCCCCO[N+](=O)[O-])cc1,CHEMBL1778431,7.36
+NS(=O)(=O)c1ccc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)cc1,CHEMBL1778432,6.46
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1,CHEMBL1778433,7.33
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(C(=O)OCCCCO[N+](=O)[O-])c2)s1,CHEMBL1738778,6.81
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)c1,CHEMBL1778434,6.65
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(C(=O)OCCCCO[N+](=O)[O-])cc2)s1,CHEMBL1778435,7.34
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL1778436,7.42
+COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1778437,6.86
+NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1,CHEMBL1777820,6.83
+NS(=O)(=O)c1ccc(OCCCCO[N+](=O)[O-])cc1,CHEMBL1778438,7.12
+NS(=O)(=O)c1ccc(OCCCCCO[N+](=O)[O-])cc1,CHEMBL1778439,7.05
+NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL191045,7.05
+NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(=O)O)n2)cc1,CHEMBL189526,7.01
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1,CHEMBL1822699,5.14
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1822700,5.17
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1Cc1ccc(S(N)(=O)=O)cc1,CHEMBL1822701,5.13
+CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1,CHEMBL1822702,5.12
+Oc1c(Br)cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1O,CHEMBL464987,4.56
+Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br,CHEMBL374829,4.55
+O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br,CHEMBL490356,5.97
+COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC,CHEMBL1946085,5.11
+COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC,CHEMBL1946086,5.13
+COc1cc(CC2CCCCC2=O)cc(Br)c1OC,CHEMBL1946087,5.15
+COc1cc(CC2CCCCC2O)cc(Br)c1OC,CHEMBL1946088,6.07
+COc1cc(CC2CCCC[C@@H]2O)cc(Br)c1OC,CHEMBL2092896,6.06
+COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC,CHEMBL1946177,6.03
+COc1cc(CC2CCCC[C@@H]2O)c(Br)c(Br)c1OC,CHEMBL2092897,6.06
+COc1cc(CC2CCCCC2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC,CHEMBL1946178,5.95
+COc1ccccc1OC,CHEMBL1668603,4.84
+CC1CCCCC1O,CHEMBL1946181,5.07
+CCCC1CCCCC1O,CHEMBL1946182,5.06
+CC1CCCCC1=O,CHEMBL1946183,5.05
+NS(=O)(=O)c1ccccc1Br,CHEMBL1946184,5.84
+NS(=O)(=O)c1ccccc1,CHEMBL27601,5.95
+c1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL596060,5.32
+COc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL607813,5.38
+COc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL610455,5.35
+COc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL593276,5.33
+COc1ccc2c(c1OC)Cc1c-2[nH]c2ccccc12,CHEMBL607824,5.39
+COc1ccc(OC)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL594224,5.24
+COc1cc2c(cc1OC)-c1[nH]c3ccccc3c1C2,CHEMBL611502,5.34
+COc1cc2c(c(OC)c1)-c1[nH]c3ccccc3c1C2,CHEMBL593037,5.31
+c1ccc2c3c([nH]c2c1)-c1cc2c(cc1C3)OCO2,CHEMBL608978,5.27
+Fc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593759,6.21
+Clc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL595861,6.11
+Brc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593667,6.27
+Oc1cccc2c1Cc1c-2[nH]c2ccccc12,CHEMBL610454,6.06
+Oc1ccc2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL593972,6.04
+Oc1ccc2c(c1)-c1[nH]c3ccccc3c1C2,CHEMBL611504,6.03
+Oc1cccc2c1-c1[nH]c3ccccc3c1C2,CHEMBL596276,5.99
+Oc1ccc2c(c1O)Cc1c-2[nH]c2ccccc12,CHEMBL596277,6.27
+Oc1ccc(O)c2c1Cc1c-2[nH]c2ccccc12,CHEMBL593507,6.36
+Oc1cc2c(cc1O)-c1[nH]c3ccccc3c1C2,CHEMBL594918,6.07
+Oc1cc(O)c2c(c1)Cc1c-2[nH]c2ccccc12,CHEMBL607823,6.12
+c1ccc2[nH]ccc2c1,CHEMBL15844,5.63
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL122708,5.98
+O=c1ccc2ccccc2[nH]1,CHEMBL186422,6.44
+OC(=S)c1ccccc1,CHEMBL1955873,5.09
+[O-][n+]1ccccc1S,CHEMBL1356238,5.21
+CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CHEMBL251680,5.26
+O/N=c1/ccc2ccccc2o1,CHEMBL1956579,6.12
+Cc1cc(C)o/c(=N/O)c1,CHEMBL1956578,6.59
+Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1,CHEMBL2019140,5.41
+COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1,CHEMBL2019143,5.44
+Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,CHEMBL2019155,5.4
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2042371,4.34
+COc1cc(OC)c(Cc2cc(OC)c(OC)c(Br)c2Br)c(OC)c1Br,CHEMBL2042370,4.37
+Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O,CHEMBL477748,5.74
+COc1cc(Cc2c(OC)c(Br)c(OC)c(Cc3cc(OC)c(OC)c(Br)c3Br)c2OC)c(Br)c(Br)c1OC,CHEMBL2040866,4.24
+COc1ccc(C(=O)O)cc1OC,CHEMBL118903,5.19
+O=C(O)c1ccc(O)c(O)c1,CHEMBL37537,5.61
+COc1ccccc1,CHEMBL278024,4.84
+Oc1c(O)c(Br)c(Br)c(Br)c1Br,CHEMBL506166,4.76
+Oc1c(Br)cc(Br)c(Br)c1O,CHEMBL2042369,4.88
+COc1c(Br)cc(Br)c(Br)c1OC,CHEMBL1946179,4.31
+COc1c(Br)c(Br)c(CO)c(Br)c1OC,CHEMBL1946180,4.33
+Oc1ccc(Cc2ccc(O)c(O)c2)cc1O,CHEMBL253691,5.12
+COc1c(Br)cc(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2042368,4.51
+COc1c(Br)c(Br)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC,CHEMBL2016670,4.49
+Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179304,5.12
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1,CHEMBL2179305,6.48
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1,CHEMBL2179306,5.15
+NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1,CHEMBL2179307,5.14
+COc1ccc2c(c1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2,CHEMBL2179308,5.05
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323140,5.08
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CHEMBL2323139,5.04
+O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL550572,5.15
+O=C(/C=C/c1cccc(O)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CHEMBL2323138,5.08
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323137,5.17
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,CHEMBL2323136,5.11
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323135,5.31
+CC(=O)OC[C@H]1O[C@@H](CC(=O)/C=C/c2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL2323134,5.25
+O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1,CHEMBL2391084,5.27
+O=C1C=CC[C@H](C[C@@H](O)CCc2cc(Br)c(O)cc2Br)O1,CHEMBL2391082,4.86
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2O)O1,CHEMBL2391081,5.39
+O=C1C=CC[C@H](C[C@@H](O)CCc2ccc(O)cc2)O1,CHEMBL250638,5.02
+CNc1nc(NC)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL186716,6.15
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1,CHEMBL2443318,5.44
+COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443317,5.56
+CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1,CHEMBL2443316,6.22
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1,CHEMBL2443315,5.59
+NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1,CHEMBL2443314,5.87
+NS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1,CHEMBL2443313,6.14
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,CHEMBL3099282,6.2
+Nc1ccc(S(N)(=O)=O)nc1,CHEMBL3099281,5.02
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL78755,6.84
+O=C1NS(=O)(=O)c2ccccc21,CHEMBL310671,5.1
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360586,6.63
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1,CHEMBL3360587,6.36
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360588,6.06
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1,CHEMBL3360589,6.11
+NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1,CHEMBL3360590,6.4
+NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL3360591,6.13
+O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL117,6.27
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490,6.25
+COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,CHEMBL379064,6.67
+O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,CHEMBL9352,7.1
+O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,CHEMBL8996,7.14
+COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,CHEMBL399121,6.99
+O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CHEMBL337309,5.04
+O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,CHEMBL8145,6.14
+COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CHEMBL131921,5.15
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL250450,7.12
+C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEMBL2262641,7.17
+O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL233930,5.25
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL266564,5.26
+O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1O,CHEMBL3628129,6.46
+CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O,CHEMBL3628130,7.21
+O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL457077,7.18
+O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL518243,6.99
+O=C(/C=C/c1cc(O)cc2c1[C@H](C(O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL541265,7.18
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151,6.53
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1,CHEMBL3628131,4.62
+O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,CHEMBL3628132,4.48
+COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O,CHEMBL457076,4.4
+COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O,CHEMBL481245,4.36
+COc1cc(/C=C/C(=O)OCCc2cccc(O)c2)ccc1O,CHEMBL3628210,4.39
+O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1,CHEMBL1095574,4.73
+O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1,CHEMBL3628211,5.01
+O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1,CHEMBL3628212,4.9
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O,CHEMBL3739554,6.31
+Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c(C(=O)O)c1,CHEMBL3740404,6.28
+NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741546,6.73
+NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3742377,7.14
+NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741601,6.3
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CHEMBL3740074,5.15
+O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O,CHEMBL3742007,6.44
+O=C(O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3740170,6.05
+CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CHEMBL3741953,6.55
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3813758,6.55
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1,CHEMBL3814764,6.36
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CHEMBL3815152,6.47
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1,CHEMBL3814117,7.2
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1,CHEMBL3814808,6.44
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C#N)c1,CHEMBL3814309,6.15
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,CHEMBL3814242,7.22
+Nc1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CHEMBL3813924,7.53
+NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CHEMBL3814487,7.53
+CSc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814887,6.42
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814664,6.28
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814802,6.37
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1,CHEMBL3814718,6.33
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O,CHEMBL3814163,6.39
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl,CHEMBL3814942,6.86
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Cl)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814523,6.88
+NS(=O)(=O)c1nnc(NC(=O)c2ccc(N3C4=C(C(=O)CCC4)C(c4ccc(Br)cc4)C4=C3CCCC4=O)cc2)s1,CHEMBL3814976,6.37
+Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814420,7.02
+CCc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3815009,6.45
+CSc1ccc(C2C3=C(CCCC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CCC3)cc1,CHEMBL3814927,7.13
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,CHEMBL3814291,6.4
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)c1,CHEMBL3814449,6.61
+NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL3586274,7.12
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3822883,8.36
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822655,8.24
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3823514,8.02
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)s1,CHEMBL3823200,8.19
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,CHEMBL3822486,8.3
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL3824097,8.11
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1,CHEMBL3823618,8.26
+NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CHEMBL88115,8.17
+NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CHEMBL2107036,6.31
diff --git a/chembl_200/CHEMBL3759.csv b/chembl_200/CHEMBL3759.csv
new file mode 100644
index 0000000000000000000000000000000000000000..5686f6303dad6fe3a43e8db49f95ad7bc04ab0cc
--- /dev/null
+++ b/chembl_200/CHEMBL3759.csv
@@ -0,0 +1,970 @@
+NCCCc1cnc[nH]1,CHEMBL91353,7.5
+NCCCCc1cnc[nH]1,CHEMBL90019,7.935
+C[C@@H](N)Cc1cnc[nH]1,CHEMBL268229,6.727
+c1ncc(CC2CCNCC2)[nH]1,CHEMBL18661,7.684
+Cc1nc[nH]c1CSCCNC(=N)NCCCc1cnc[nH]1,CHEMBL12608,7.755
+CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1,CHEMBL338937,7.96
+CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL128134,6.59
+CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1,CHEMBL129444,7.85
+Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,CHEMBL128088,7.33
+CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1,CHEMBL340740,7.712000000000001
+O=C(c1cc2ccccc2[nH]1)N1CCNCC1,CHEMBL129660,7.42
+CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1,CHEMBL128958,7.63
+CN1CCN(Cc2cc3ccccc3[nH]2)CC1,CHEMBL339826,5.0
+CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1,CHEMBL128505,7.49
+CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1,CHEMBL129436,8.275
+O=C(c1cc2ccccc2[nH]1)N1CCN(CCc2ccccc2)CC1,CHEMBL128470,5.15
+CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1,CHEMBL341087,6.69
+CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1,CHEMBL436381,7.815
+CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1,CHEMBL128252,7.21
+CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1,CHEMBL129540,8.025
+Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL129488,8.088
+CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1,CHEMBL338051,7.715
+CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1,CHEMBL338001,6.83
+Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,CHEMBL129026,7.51
+c1ccc(Cc2cnc[nH]2)nc1,CHEMBL81644,5.34
+c1ccc(CCc2cnc[nH]2)nc1,CHEMBL310360,4.91
+c1cc(CCCc2cnc[nH]2)ccn1,CHEMBL309654,6.0
+c1cncc(CCCc2cnc[nH]2)c1,CHEMBL78497,6.32
+c1ccc(CCCc2cnc[nH]2)nc1,CHEMBL79126,5.9
+c1cncc(CCc2cnc[nH]2)c1,CHEMBL82244,5.29
+c1cc(Cc2cnc[nH]2)ccn1,CHEMBL82298,6.605
+c1cc(CCc2cnc[nH]2)ccn1,CHEMBL311473,5.88
+NCCCCCc1cnc[nH]1,CHEMBL417096,6.6
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27979,5.0
+c1ccc(COC[C@H]2CC[C@H](c3cnc[nH]3)O2)cc1,CHEMBL105803,5.99
+NC[C@@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106931,4.895
+c1ccc(COC[C@@H]2CC[C@H](c3cnc[nH]3)O2)cc1,CHEMBL320331,6.38
+NC[C@H]1C=C[C@H](c2cnc[nH]2)O1,CHEMBL109130,4.93
+C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL106158,6.675
+NC[C@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106913,5.195
+C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL106570,4.695
+c1ccc(COC[C@H]2CC[C@@H](c3cnc[nH]3)O2)cc1,CHEMBL1632410,4.885
+C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2cnc[nH]2)O1,CHEMBL108649,5.095
+NC[C@H]1C=C[C@@H](c2cnc[nH]2)O1,CHEMBL107877,4.92
+C/N=C(\NC#N)NC[C@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL321860,6.9
+c1ccc(COC[C@@H]2CC[C@@H](c3cnc[nH]3)O2)cc1,CHEMBL322256,4.685
+NC[C@@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL321920,5.6
+NC[C@H]1CC[C@H](c2cnc[nH]2)O1,CHEMBL106612,6.075
+NC[C@@H]1C=C[C@H](c2cnc[nH]2)O1,CHEMBL320279,4.66
+CN1CCC(Cc2cnc[nH]2)CC1,CHEMBL175782,5.7
+CN(C)CCN(C)C(=O)c1nc2ccc(Cl)cc2[nH]1,CHEMBL185948,4.6
+CN1CCN(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CC1,CHEMBL186640,4.7
+CN1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1,CHEMBL186108,7.2
+CN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1,CHEMBL185842,5.5
+CN(C)CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1,CHEMBL364629,4.6
+CN1CCN(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL185546,4.6
+O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1,CHEMBL365257,5.1
+CN1CCC(C(O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL362163,5.3
+CN1CCC(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL186456,6.7
+CN(C)CCNC(=O)c1nc2ccc(Cl)cc2[nH]1,CHEMBL187210,6.0
+CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1,CHEMBL197477,6.39
+Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)cc12,CHEMBL268525,7.57
+Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,CHEMBL187285,7.48
+CN1CCN(C(=O)c2cc3ccsc3[nH]2)CC1,CHEMBL362495,7.05
+CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1,CHEMBL364400,7.6
+CN1CCN(C(=O)c2cc3sccc3[nH]2)CC1,CHEMBL200546,7.05
+CN1CCN(C(=O)c2cc3sc(Cl)cc3[nH]2)CC1,CHEMBL370135,7.4
+Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL199231,7.68
+Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL199062,8.52
+Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12,CHEMBL383384,7.52
+CN1CCN(C(=O)c2nc3ccc(N)cc3[nH]2)CC1,CHEMBL2113162,6.61
+CN1CCN(C(=O)c2nc3ccc(F)cc3[nH]2)CC1,CHEMBL333220,7.72
+Cc1ccc2nc(C(=O)N3CCN(C)CC3)[nH]c2c1,CHEMBL121679,6.28
+CN1CCN(C(=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1,CHEMBL331773,6.37
+Cc1c(F)ccc2nc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL120591,8.15
+CN1CCN(C(=O)c2nc3ccc(F)c(F)c3[nH]2)CC1,CHEMBL338972,7.31
+Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)nc2c1,CHEMBL120854,7.64
+CN1CCN(C(=O)c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1,CHEMBL120221,6.87
+c1ncc(CCCCN2CCCCCC2)[nH]1,CHEMBL205868,6.3
+c1ncc(CCCCN2CCCCC2)[nH]1,CHEMBL205583,6.4
+c1ncc(CCCCN2CCCC2)[nH]1,CHEMBL204360,6.3
+CCN(CC)CCCCc1cnc[nH]1,CHEMBL204615,6.5
+CN(C)CCCCc1cnc[nH]1,CHEMBL206000,6.1
+Clc1ccc(CNCCCCc2cnc[nH]2)cc1,CHEMBL379027,7.7
+c1ncc(CCCCNC2CCCCCC2)[nH]1,CHEMBL202728,7.3
+c1ncc(CCCCNC2CCCCC2)[nH]1,CHEMBL383324,7.0
+c1ncc(CCCCNC2CCCC2)[nH]1,CHEMBL379447,7.4
+CC(C)(C)NCCCCc1cnc[nH]1,CHEMBL377491,6.1
+CC(C)CNCCCCc1cnc[nH]1,CHEMBL205559,7.1
+CCCCNCCCCc1cnc[nH]1,CHEMBL206303,7.2
+CC(C)NCCCCc1cnc[nH]1,CHEMBL205732,6.7
+CCCNCCCCc1cnc[nH]1,CHEMBL205731,7.3
+CCNCCCCc1cnc[nH]1,CHEMBL204843,7.0
+c1ncc(CCCCCN2CCCCCC2)[nH]1,CHEMBL203390,6.8
+c1ncc(CCCCCN2CCCCC2)[nH]1,CHEMBL203389,6.5
+c1ncc(CCCCCN2CCCC2)[nH]1,CHEMBL203228,6.1
+CCN(CC)CCCCCc1cnc[nH]1,CHEMBL205511,6.2
+CN(C)CCCCCc1cnc[nH]1,CHEMBL206548,6.3
+Clc1ccc(CNCCCCCc2cnc[nH]2)cc1,CHEMBL203263,7.2
+c1ncc(CCCCCNC2CCCCCC2)[nH]1,CHEMBL377954,7.3
+c1ncc(CCCCCNC2CCCCC2)[nH]1,CHEMBL206346,7.4
+c1ncc(CCCCCNC2CCCC2)[nH]1,CHEMBL202744,7.4
+CC(C)(C)NCCCCCc1cnc[nH]1,CHEMBL202638,7.2
+CC(C)CNCCCCCc1cnc[nH]1,CHEMBL205834,6.9
+CCCCNCCCCCc1cnc[nH]1,CHEMBL203441,6.7
+CC(C)NCCCCCc1cnc[nH]1,CHEMBL206451,6.9
+CCCNCCCCCc1cnc[nH]1,CHEMBL381074,6.8
+CCNCCCCCc1cnc[nH]1,CHEMBL204413,6.5
+CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1,CHEMBL387054,7.41
+CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1,CHEMBL209628,7.51
+CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1,CHEMBL211170,7.34
+Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2,CHEMBL211242,7.1
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL42,6.582999999999999
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1,CHEMBL209758,7.56
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1,CHEMBL378788,6.51
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1,CHEMBL379102,6.72
+OCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CHEMBL386333,5.33
+CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL377985,5.97
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,CHEMBL831,5.34
+CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1,CHEMBL340801,5.32
+CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,CHEMBL7828,7.37
+CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,CHEMBL266723,5.85
+CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1,CHEMBL339414,6.88
+CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1,CHEMBL67284,5.69
+c1ncc([C@H]2C[C@@H]2CCNCC2CCCCC2)[nH]1,CHEMBL214312,6.9
+Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL214311,7.43
+c1ncc([C@H]2C[C@@H]2CNCC2CCCCC2)[nH]1,CHEMBL214156,7.04
+Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL209598,6.94
+c1ncc([C@@H]2C[C@H]2CCNCC2CCCCC2)[nH]1,CHEMBL378619,7.51
+Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1,CHEMBL213886,8.12
+c1ncc([C@@H]2C[C@H]2CNCC2CCCCC2)[nH]1,CHEMBL212705,6.84
+Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1,CHEMBL213250,6.93
+Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1,CHEMBL377572,6.99
+c1ncc([C@H]2C[C@H]2CCNCC2CCCCC2)[nH]1,CHEMBL213133,6.75
+Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1,CHEMBL215628,6.89
+N=C(N)NCCCCCCSC(=N)N,CHEMBL535387,5.4
+N=C(N)NCCCCSC(=N)N,CHEMBL534498,5.5
+N=C(N)NCCNC(=N)N,CHEMBL539343,6.4
+N=C(N)SCCSC(=N)N,CHEMBL534494,6.6
+N=C(N)NCCSC(=N)N,CHEMBL557151,7.525
+N=C(N)NCCCSC(=N)N,CHEMBL534496,5.1
+Cc1ccc2nc(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)[nH]c2c1C,CHEMBL219930,7.34
+Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1,CHEMBL373579,9.0
+Cc1ccc2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1C,CHEMBL219982,8.05
+Cc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1OCCCN1CCN(C)CC1,CHEMBL387342,7.59
+CN1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1,CHEMBL221211,7.19
+CN1CCCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1,CHEMBL221210,7.59
+CN(C)C1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1,CHEMBL376268,6.6
+CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc54)[nH]3)c(Cl)c2)CC1,CHEMBL223490,7.55
+CN1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)c2)CC1,CHEMBL220934,7.03
+Cc1cc(C)c2nc(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)[nH]c2c1,CHEMBL220933,7.66
+CN1CCN(c2ncc3ccccc3n2)CC1,CHEMBL443764,5.12
+CN1CCN(c2nccc3ccccc23)CC1,CHEMBL261320,4.69
+CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1,CHEMBL1743969,7.04
+CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1,CHEMBL260565,6.215
+CN1CCN(c2ccc3ccccc3n2)CC1,CHEMBL288591,5.16
+CN1CCN(c2cnc3ccccc3n2)CC1,CHEMBL123137,6.01
+CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1,CHEMBL260850,5.57
+O=c1[nH]c2ccc(Cl)cc2nc1NCN1CCCC1,CHEMBL406345,5.83
+CN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1,CHEMBL406327,6.01
+CN1CCN(c2nc3ccccc3nc2Cl)CC1,CHEMBL261010,6.64
+CN1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1,CHEMBL406558,5.6
+COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1,CHEMBL261224,7.24
+CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Oc2ccccc2)CC1,CHEMBL261517,5.93
+Cc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1,CHEMBL261519,7.2
+CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CCc2ccccc2)CC1,CHEMBL406379,5.4
+CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1,CHEMBL260549,8.24
+CN1CCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1,CHEMBL262859,7.93
+COc1nc2cc(Cl)ccc2nc1N1CCN(C)CC1,CHEMBL260444,7.58
+CN1CCN(c2nc3ccccc3[nH]c2=O)CC1,CHEMBL414183,7.205
+COc1nc2ccccc2nc1N1CCN(C)CC1,CHEMBL405044,6.47
+CN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1,CHEMBL428964,5.4
+CCOc1nc2ccccc2nc1N1CCN(C)CC1,CHEMBL259839,6.64
+CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1,CHEMBL406123,5.24
+CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1,CHEMBL260043,4.88
+CN1CCN(c2nc3ccccc3nc2Oc2cccc(N(C)C)c2)CC1,CHEMBL429691,5.81
+COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1,CHEMBL260851,5.63
+Cc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1,CHEMBL405416,5.66
+Cc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1,CHEMBL261223,6.24
+CN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1,CHEMBL261222,5.8
+CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)c(Cl)c2)CC1,CHEMBL259536,5.77
+CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1,CHEMBL261225,5.63
+CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1,CHEMBL260274,5.89
+CN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1,CHEMBL410925,6.57
+CN1CCN(c2nc3ccccc3nc2OCc2ccc(Cl)cc2)CC1,CHEMBL260456,5.64
+Cc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1,CHEMBL260470,5.86
+COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1,CHEMBL428606,6.15
+CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1,CHEMBL259956,5.36
+CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1,CHEMBL259955,5.53
+CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1,CHEMBL259957,6.33
+CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1,CHEMBL406380,5.53
+CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1,CHEMBL260458,6.32
+CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1,CHEMBL402470,6.53
+CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1,CHEMBL261363,6.49
+CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1,CHEMBL260371,5.13
+CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1,CHEMBL260388,6.44
+CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1,CHEMBL261551,7.4
+CN1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1,CHEMBL260372,4.99
+Cc1nc2ccccc2nc1N1CCN(C)CC1,CHEMBL259745,6.7
+O=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL14638,6.05
+Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1,CHEMBL492231,7.4
+Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2,CHEMBL523225,8.29
+CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1,CHEMBL522673,7.96
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1,CHEMBL521996,8.46
+Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2,CHEMBL502347,8.32
+Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2,CHEMBL509540,7.132999999999999
+Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2,CHEMBL521995,7.89
+Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2,CHEMBL493281,7.28
+N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1,CHEMBL494890,7.38
+O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1,CHEMBL503605,7.745
+CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1,CHEMBL492884,8.225
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,7.46
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1,CHEMBL380101,4.6
+CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1,CHEMBL212775,5.19
+CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1,CHEMBL212869,4.86
+CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1,CHEMBL379545,5.19
+N=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL14690,8.208
+N=C(NCCc1ccc(I)cc1)SCCCc1cnc[nH]1,CHEMBL498770,7.903
+CCOC(=O)c1ccc(NC2=CC(=O)/C(=N\NC(=N)N)c3ccccc32)cc1,CHEMBL1162352,6.66
+Cc1cc(C)nc(NC(=N)NCCc2cnc[nH]2)n1,CHEMBL1162351,7.07
+CC(C/C(C)=N\NC(=N)N)=NNC(=N)N,CHEMBL1162347,6.05
+N=C(N)NCc1cccc(CNC(=N)N)n1,CHEMBL1162346,5.91
+CNC(=N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\NC(=N)NC)cc3c2c1,CHEMBL1162345,5.83
+CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1,CHEMBL489493,8.25
+CC1CC(C)(C)N=C(c2cccc(Cc3cnc[nH]3)c2)O1,CHEMBL494982,8.08
+CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1,CHEMBL493014,8.25
+CN1CCN(c2nc(N)c3ccccc3n2)CC1,CHEMBL475331,5.715
+CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1,CHEMBL473302,6.895
+CN1CCN(c2nc(=O)c3cc(Cl)ccc3[nH]2)CC1,CHEMBL471712,4.82
+CN1CCN(c2nc(Oc3ccccc3)c3ccccc3n2)CC1,CHEMBL473098,5.55
+CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1,CHEMBL473099,5.39
+CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1,CHEMBL515870,5.07
+CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1,CHEMBL118572,5.97
+CN1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1,CHEMBL523617,5.83
+CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL490071,6.59
+CN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL490072,6.62
+CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL490073,6.12
+CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1,CHEMBL489060,6.21
+CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1,CHEMBL489061,6.23
+CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL489062,7.125
+CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12,CHEMBL489069,6.02
+CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12,CHEMBL488885,6.18
+CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL489271,6.25
+COc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)cc1,CHEMBL489464,6.44
+CN1CCN(c2nc(NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL489070,6.98
+CN1CCN(c2nc(NCc3ccc(C#N)cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL448962,6.89
+CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1,CHEMBL523941,6.73
+CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1,CHEMBL489664,6.3
+CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL510181,6.035
+CN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ccc3n2)CC1,CHEMBL452925,7.05
+CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1,CHEMBL455133,6.22
+CN1CCN(c2nc(NCc3ccco3)c3cc(F)ccc3n2)CC1,CHEMBL454882,6.65
+Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12,CHEMBL454883,6.73
+CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1,CHEMBL509142,7.45
+CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1,CHEMBL452848,7.22
+Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1,CHEMBL452849,6.87
+Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1,CHEMBL452869,7.41
+Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL509852,7.47
+Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1,CHEMBL452870,6.43
+CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1,CHEMBL453877,6.98
+CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1,CHEMBL454891,6.97
+CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1,CHEMBL509961,6.41
+CNc1nc(N2CCN3CCC[C@H]3C2)nc2ccc(Cl)cc12,CHEMBL461537,6.81
+CNc1nc(N2CCN3CCCC3C2)nc2ccc(Cl)cc12,CHEMBL512568,6.85
+CN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1,CHEMBL612059,6.57
+N=C(N)SCCCc1cnc[nH]1,CHEMBL281576,7.95
+N=C(NCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202324,7.6
+N=C(NCCCc1cnc[nH]1)NCc1ccccc1,CHEMBL552694,7.6
+N=C(NCc1ccc(F)cc1)SCCCc1cnc[nH]1,CHEMBL1202328,7.6
+N=C(NCc1cccc(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1202326,7.8
+N=C(NCc1ccccc1Cl)SCCCc1cnc[nH]1,CHEMBL1202318,8.0
+N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1202332,8.8
+N=C(NCc1ccc(Br)cc1)SCCCc1cnc[nH]1,CHEMBL1743881,8.0
+N=C(NCc1ccc(I)cc1)SCCCc1cnc[nH]1,CHEMBL1202321,8.0
+Cc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202329,7.6
+COc1ccc(CNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202319,7.9
+N=C(NCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202330,7.2
+N=C(NCCc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL1202322,7.5
+N=C(NCCc1ccc(Br)cc1)SCCCc1cnc[nH]1,CHEMBL561250,7.4
+Cc1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202320,7.0
+COc1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1,CHEMBL1202325,6.8
+N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1cnc[nH]1,CHEMBL561651,6.8
+N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202323,7.6
+N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL1202331,7.3
+N=C(NCCCCc1ccccc1)SCCCc1cnc[nH]1,CHEMBL551047,7.2
+CN1CCN(c2cc(NCc3c(Cl)cccc3Cl)nc(N)n2)CC1,CHEMBL595180,7.93
+CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1,CHEMBL594721,7.755
+Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL594731,7.615
+CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1,CHEMBL594022,7.15
+CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1,CHEMBL593103,7.355
+CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1,CHEMBL595215,6.82
+Cc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1,CHEMBL609161,6.69
+CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1,CHEMBL595639,6.54
+CN1CCN(c2cc(NCc3ccc(O)cc3)nc(N)n2)CC1,CHEMBL596551,6.63
+CN1CCN(c2cc(N)nc(N)n2)CC1,CHEMBL473662,6.41
+CN1CCN(c2cc(N3Cc4ccccc4C3)nc(N)n2)CC1,CHEMBL594491,6.61
+CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1,CHEMBL594490,6.84
+CN1CCN(c2cc(NCc3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL609289,6.47
+Cc1cccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)c1,CHEMBL594949,6.55
+CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1,CHEMBL595880,6.27
+CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1,CHEMBL596562,6.53
+CN1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3)nc(N)n2)CC1,CHEMBL593551,6.15
+COc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1,CHEMBL608717,6.27
+CN1CCN(c2ncnc3c2nnn3Cc2ccc(Cl)cc2)CC1,CHEMBL594729,5.46
+CCc1cc2c(N3CCN(C)CC3)ncnc2s1,CHEMBL594730,5.18
+CN1CCN(c2ncnc3nc[nH]c23)CC1,CHEMBL594152,4.74
+CN1CCN(c2ncnc3c2ncn3Cc2ccccc2)CC1,CHEMBL594468,4.84
+CN1CCN(c2nc(N)nc3nc[nH]c23)CC1,CHEMBL594694,4.81
+CN1CCN(c2nc(N)nc3c2ncn3Cc2ccccc2)CC1,CHEMBL596348,5.09
+CN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1,CHEMBL593448,4.46
+CN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1,CHEMBL594973,5.6
+CN1CCN(c2cc(SCc3ccccc3)nc(N)n2)CC1,CHEMBL595413,4.86
+CN1CCN(c2cc(NCc3ccc(C(F)(F)F)cc3)nc(N)n2)CC1,CHEMBL612131,5.92
+CN1CCN(c2cc(NCc3ccc(C(C)(C)C)cc3)nc(N)n2)CC1,CHEMBL608864,5.47
+CC(C)c1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1,CHEMBL610626,5.66
+Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1,CHEMBL598291,6.83
+CCN(CC)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL591500,8.12
+CN1CCN(c2nc(NCCS(=O)(=O)N(C)C)c3cc(Cl)ccc3n2)CC1,CHEMBL592188,7.9
+CNS(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL591011,8.37
+CN1CCN(c2nc(NCCS(=O)(=O)N3CCCC3)c3cc(Cl)ccc3n2)CC1,CHEMBL591248,7.75
+CC1CCCCN1S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL591249,8.0
+CN1CCN(c2nc(NCCS(=O)(=O)N3CCOCC3)c3cc(Cl)ccc3n2)CC1,CHEMBL591250,8.03
+CN1CCN(c2nc(NCCS(=O)(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL592663,8.27
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL592379,8.355
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccc(I)cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL608373,7.15
+CNS(=O)(=O)CCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL591711,7.48
+CN1CCN(c2nc(NCCS(C)(=O)=O)c3cc(Cl)ccc3n2)CC1,CHEMBL601946,7.57
+CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1,CHEMBL591969,8.35
+CN1CCN(c2nc(NCCC(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1,CHEMBL591970,6.65
+CC(=O)NCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12,CHEMBL603621,6.31
+CN1CCN(c2nc(NCCN3C(=O)CSC3=O)c3cc(Cl)ccc3n2)CC1,CHEMBL591027,6.75
+CN1CCN(c2nc(NCCc3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc3n2)CC1,CHEMBL589800,7.3
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(I)ccc3n2)CC1,CHEMBL592434,8.24
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(Cl)cc(Cl)cc3n2)CC1,CHEMBL591013,6.82
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3n2)CC1,CHEMBL602330,6.51
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)c(Cl)cc3n2)CC1,CHEMBL590995,7.72
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Br)c(Cl)cc3n2)CC1,CHEMBL589782,7.81
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)cc(Cl)c3n2)CC1,CHEMBL589746,7.95
+CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(C(F)(F)F)cccc3n2)CC1,CHEMBL591496,8.09
+Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCCC2c1ccccc1,CHEMBL1077276,8.15
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1,CHEMBL1089040,7.31
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1089390,8.7
+CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1079516,8.82
+CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080089,6.54
+CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1076267,6.93
+CCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079552,6.16
+CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079553,6.37
+CCCC(C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1081541,6.79
+CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079918,6.2
+CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076300,5.84
+CCCCC(CC)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1079747,6.11
+N#C/N=C(/NCCCCc1cnc[nH]1)NCCSc1ccccc1,CHEMBL1078642,7.24
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1091874,9.4
+CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1091875,8.7
+CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1,CHEMBL1098230,8.96
+Cc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086460,7.49
+Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1082771,7.1
+CNC1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1,CHEMBL1082772,7.7
+Cc1cc(OCCCN2CCC(N(C)C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083084,7.08
+Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083085,7.14
+Cc1cc(OCCCN2CCCC(N(C)C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1084809,5.7
+Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1084810,7.38
+Cc1cc(OCCCN2CC3CCCN(C)C3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1084811,6.0
+Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1082296,7.85
+Cc1cc(OCCCN2C[C@@H]3CCCN[C@@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083097,6.16
+Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083098,7.59
+Cc1cc(OCCCN2CC3CCN(C)C3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1085803,6.63
+Cc1cc(OCCCN2CC3CN(C)C3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1085804,6.01
+Cc1cc(OCCCN2CC3C(C2)N3C)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086038,7.05
+Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086085,7.11
+Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1084355,8.28
+Cc1cc(OCCCCCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083160,6.82
+Cc1cc(OCCCN2Cc3cccnc3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1082851,6.64
+Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1083162,9.68
+Cc1cc(OCCCNCCc2cn(C)cn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086344,6.88
+Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086105,8.48
+Cc1cc(OCCCNCC2CCCCN2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086327,6.82
+Cc1cc(OCCCNCC2CCCCN2C)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1086328,5.76
+CN1CCC(N(C)CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1,CHEMBL1085872,6.22
+CN(C)CCN(C)CCCOc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1Cl,CHEMBL1085403,5.3
+Cc1cc(OCCCNCC2CCCN(C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL1084354,6.25
+FC(F)(F)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172754,6.67
+COc1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1,CHEMBL1172775,5.51
+CC(C)(C)c1ccc(SCC(c2ccccn2)c2cnc[nH]2)cc1,CHEMBL1243335,6.08
+CC(C)(C)c1ccc(SCC(c2cccnc2)c2cnc[nH]2)cc1,CHEMBL1243366,6.44
+FC(F)(F)c1ccc(SCC(c2ccncc2)c2cnc[nH]2)cc1,CHEMBL1243367,7.77
+FC(F)(F)c1ccc(SC[C@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243394,5.89
+FC(F)(F)c1ccc(SC[C@@H](c2cnc[nH]2)C2CCNCC2)cc1,CHEMBL1243395,6.51
+Cc1ncc(CCN)[nH]1,CHEMBL12620,6.1
+NCCc1cnc(-c2cccc(Br)c2)[nH]1,CHEMBL26116,5.8
+NCCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1,CHEMBL24665,5.9
+CNCCc1cnc[nH]1,CHEMBL268490,6.5
+C[C@H](N)Cc1cnc[nH]1,CHEMBL11919,5.4
+N=C(NCc1ccc(Cl)cc1)SCCCCc1cnc[nH]1,CHEMBL1632409,8.1
+c1ccc(COCCCc2cnc[nH]2)cc1,CHEMBL19173,7.3
+Ic1ccc(COCCCc2cnc[nH]2)cc1,CHEMBL19010,7.9
+CCNC(=S)NCCCCc1cnc[nH]1,CHEMBL309819,7.6
+CCCNC(=S)NCCCCc1cnc[nH]1,CHEMBL72769,8.0
+CC(C)NC(=S)NCCCCc1cnc[nH]1,CHEMBL306077,8.1
+S=C(NCCCCc1cnc[nH]1)NCc1ccccc1,CHEMBL72431,7.3
+S=C(NCCCCc1cnc[nH]1)NCCc1ccccc1,CHEMBL308913,7.2
+CCNC(=S)NCCCCCc1cnc[nH]1,CHEMBL72424,7.6
+S=C(NCCCCCc1cnc[nH]1)NCc1ccc(Cl)cc1,CHEMBL72372,6.9
+Cc1nc[nH]c1CCN,CHEMBL275443,7.3
+Cc1nc(N)sc1CCN,CHEMBL293762,5.3
+Cc1nc(N)[se]c1CCN,CHEMBL1632408,5.6
+CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1,CHEMBL1632411,7.3
+Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1,CHEMBL1632412,7.3
+CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL1632413,7.5
+CN1CCC(/C(=N/O)c2nc3ccc(Cl)cc3[nH]2)CC1,CHEMBL1632414,7.8
+c1ccc(Cc2cn(CCc3cnc[nH]3)nn2)cc1,CHEMBL1688939,5.94
+c1ccc(Cc2cn(CCCc3cnc[nH]3)nn2)cc1,CHEMBL1688940,6.74
+c1ccc(Cc2cn(CCCCc3cnc[nH]3)nn2)cc1,CHEMBL1688941,6.04
+c1ncc(CCCn2cc(CN3CCCCC3)nn2)[nH]1,CHEMBL1688942,5.74
+CN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1,CHEMBL1688943,4.82
+CC(C)(C)c1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688944,7.0
+CCCCCc1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688945,7.17
+c1ncc(CCCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688946,8.08
+c1ncc(CCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688969,6.11
+c1ncc(CCCCn2cc(CC3CCCCC3)nn2)[nH]1,CHEMBL1688970,6.56
+c1ncc(CCCn2cc(C3CCCCC3)nn2)[nH]1,CHEMBL1688971,7.05
+c1ncc(CCCn2cc(CCC3CCCCC3)nn2)[nH]1,CHEMBL1688972,6.85
+CCCCCCCc1cn(CCCc2cnc[nH]2)nn1,CHEMBL1688973,6.34
+CC(c1cn(CCCc2cnc[nH]2)nn1)C1CCCCC1,CHEMBL1688974,7.67
+c1ncc(CCCn2cc(CC3CCCCCC3)nn2)[nH]1,CHEMBL1688975,7.26
+c1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1,CHEMBL1688976,8.1
+c1ncc(CCn2cc(CC3CCCC3)nn2)[nH]1,CHEMBL1688977,6.23
+CC(c1cn(CCc2cnc[nH]2)nn1)C1CCCCC1,CHEMBL1688978,5.94
+c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1,CHEMBL1688979,4.66
+CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1,CHEMBL1688981,4.68
+c1c(CC2CCCCC2)nnn1CCCN1CCCCC1,CHEMBL1688982,4.95
+c1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1,CHEMBL1688984,6.35
+Clc1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1Cl,CHEMBL1688985,6.35
+c1ncc(CCCc2cn(CC3CCCCC3)nn2)[nH]1,CHEMBL1688986,7.1
+c1ncc(CCc2cn(CC3CCCCC3)nn2)[nH]1,CHEMBL3216267,6.23
+c1ncc(CCCc2cn(CCC3CCCCC3)nn2)[nH]1,CHEMBL1688988,6.42
+c1ncc(CCCc2cn(C3CCCCCC3)nn2)[nH]1,CHEMBL1688989,6.6
+Nc1nc(N2CCCC2)cc(N2CCNCC2)n1,CHEMBL1770160,8.1
+CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1,CHEMBL505061,8.22
+Nc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1,CHEMBL1770994,7.19
+CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1,CHEMBL1770995,7.44
+CN[C@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1,CHEMBL1770996,7.08
+Nc1nc(N2CCCC2)cc(N2CC3CCCNC3C2)n1,CHEMBL1770997,7.4
+CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL1770998,8.52
+CC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL1770999,7.62
+CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL1771000,8.6
+CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1,CHEMBL1771001,9.0
+CN1CCN(c2cc(NCCO)nc(N)n2)CC1,CHEMBL1770976,7.6
+CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1,CHEMBL1770977,8.52
+CN[C@@H]1CCN(c2cc(N(C)C(C)C)nc(N)n2)C1,CHEMBL1770978,7.29
+CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1,CHEMBL1770979,8.4
+CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1,CHEMBL1770980,8.05
+CN[C@@H]1CCN(c2cc(NCc3ccccc3)nc(N)n2)C1,CHEMBL1770981,7.24
+CN[C@@H]1CCN(c2cc(NCCO)nc(N)n2)C1,CHEMBL1770982,7.36
+CC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1,CHEMBL1770983,6.79
+CC(C)N(C)c1nc(N)cc(N2CCN(C)CC2)n1,CHEMBL1770984,6.07
+CC(C)CNc1nc(N)cc(N2CCN(C)CC2)n1,CHEMBL1770985,7.82
+CN1CCN(c2cc(N)nc(N3CCCC3)n2)CC1,CHEMBL1770986,6.88
+CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1,CHEMBL1770987,8.0
+CN1CCN(c2cc(N)nc(NCc3ccccc3)n2)CC1,CHEMBL1770988,5.97
+CN1CCN(c2cc(N)nc(NCCO)n2)CC1,CHEMBL1770989,5.94
+CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1,CHEMBL1770990,8.22
+CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1,CHEMBL1770991,6.85
+CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1,CHEMBL1770992,9.0
+CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1,CHEMBL1770993,6.9
+CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1,CHEMBL1770959,8.22
+CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)n2)C1,CHEMBL1770960,7.16
+CN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1,CHEMBL1770961,6.59
+CC(C)Nc1cc(N2CCN(C)CC2)cc(N)n1,CHEMBL1770962,7.55
+CC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1,CHEMBL1770963,6.72
+CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1,CHEMBL1770964,8.7
+CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1,CHEMBL1770965,7.0
+CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1,CHEMBL1770966,8.52
+CN1CCN(c2cc(N)nc(NCc3ccccc3)c2)CC1,CHEMBL1770967,6.83
+CN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1,CHEMBL1770968,9.52
+CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1,CHEMBL1770969,8.515
+CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)c2)C1,CHEMBL1770970,7.54
+CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1,CHEMBL1770971,9.7
+CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)c2)C1,CHEMBL1770972,7.11
+CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1,CHEMBL1770973,9.05
+CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1,CHEMBL1770974,7.3
+CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1,CHEMBL1770975,10.4
+c1ccc(CNCCc2cnc[nH]2)cc1,CHEMBL17740,6.2
+CN1CCN(c2cc(-c3ccccc3)ncn2)CC1,CHEMBL1824046,6.7
+CN1CCC(=Cc2nc3ccc(Cl)cc3[nH]2)CC1,CHEMBL1824048,6.1
+c1ncc(CC2CCCCC2)[nH]1,CHEMBL1824228,6.2
+O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1,CHEMBL1910386,4.98
+COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1,CHEMBL1910385,4.85
+COc1ccc(CN(CCN[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccn2)cc1,CHEMBL1910384,4.56
+O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,CHEMBL1910383,4.75
+COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910382,5.17
+COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910381,5.05
+COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910380,4.65
+COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910379,4.8
+COc1ccc(CN(CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,CHEMBL1910378,5.23
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.1
+CN(C)CCOC(c1ccccc1)c1ccccc1,CHEMBL657,4.37
+CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1,CHEMBL1915345,7.685
+CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1,CHEMBL1915348,7.945
+CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1,CHEMBL1915532,5.68
+CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1,CHEMBL1915533,6.67
+CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1,CHEMBL1915534,6.27
+CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1,CHEMBL1915535,7.162000000000001
+CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1,CHEMBL1915537,8.58
+CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1,CHEMBL1915538,7.815
+CN1CCN(c2ncnc3c2oc2ccccc23)CC1,CHEMBL232421,7.045
+CN1CCN(CCCOc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)CC1,CHEMBL1914533,6.92
+CN1CCN(c2ncnc3c2sc2ccccc23)CC1,CHEMBL1914534,7.28
+Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914540,8.96
+CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1,CHEMBL1914541,10.0
+Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914542,8.96
+Nc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914543,8.62
+CCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1914544,7.12
+Nc1nc(N2CC[C@@H](NCCO)C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914545,7.34
+Nc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914546,7.72
+NCC1CN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1914547,8.47
+Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914548,8.24
+Nc1nc(N2CCC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914549,8.04
+NC[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1914744,6.86
+Nc1nc(N2CC3CCNC3C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914745,8.44
+Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914746,8.33
+Nc1nc(N2C[C@@H]3CCCN[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914747,7.68
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914748,7.59
+Nc1nc(N2C[C@H]3C[C@@H]2CN3)c2oc3ccc(Cl)cc3c2n1,CHEMBL1914749,6.98
+CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1,CHEMBL1914750,9.05
+CN1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)CC1,CHEMBL1914751,7.13
+CN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1,CHEMBL1914752,7.68
+CN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1,CHEMBL1914753,7.3
+COc1cccc2oc3c(N4CCN(C)CC4)nc(N)nc3c12,CHEMBL1914754,7.52
+CN1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)CC1,CHEMBL1914755,9.1
+COc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1,CHEMBL1914756,7.92
+CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)CC1,CHEMBL1914757,8.11
+CN1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)CC1,CHEMBL1914758,6.81
+CN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1,CHEMBL1914759,7.54
+CN1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)CC1,CHEMBL1914760,9.0
+CN1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)CC1,CHEMBL1914462,9.52
+CN1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)CC1,CHEMBL1914761,7.72
+CN1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)CC1,CHEMBL1914762,7.37
+CN1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)CC1,CHEMBL1914763,7.74
+CN1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)CC1,CHEMBL1914764,6.36
+COc1ccc2c(c1)sc1c(N3CCN(C)CC3)nc(N)nc12,CHEMBL1914765,6.74
+CN1CCN(c2nc(N)nc3c2S(=O)c2ccc(Cl)cc2-3)CC1,CHEMBL1914766,5.89
+Nc1nc(N2CCNCC2)c2oc3ccccc3c2n1,CHEMBL1914767,7.68
+Nc1nc(N2CCNCC2)c2oc3cccc(Cl)c3c2n1,CHEMBL1914768,5.98
+Nc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1,CHEMBL1914769,6.84
+Nc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1,CHEMBL1914770,6.92
+COc1cccc2oc3c(N4CCNCC4)nc(N)nc3c12,CHEMBL1914771,7.33
+Nc1nc(N2CCNCC2)c2oc3ccc(C(F)(F)F)cc3c2n1,CHEMBL1914772,7.89
+Nc1nc(N2CCNCC2)c2oc3c(Cl)cc(Cl)cc3c2n1,CHEMBL1914773,6.86
+Nc1nc(N2CCNCC2)c2oc3ccc(Cl)c(Cl)c3c2n1,CHEMBL1914774,8.11
+Nc1nc(N2CCNCC2)c2oc3ccc(F)c(F)c3c2n1,CHEMBL1914775,6.81
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1,CHEMBL1914776,8.47
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)C1,CHEMBL1914777,7.4
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1,CHEMBL1914778,8.0
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(OC)c23)C1,CHEMBL1914780,7.7
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Br)cc23)C1,CHEMBL1914781,9.15
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)cc23)C1,CHEMBL1914782,8.7
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)C1,CHEMBL1914783,9.0
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(OC)cc23)C1,CHEMBL1914784,7.96
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2c(Cl)cc(Cl)cc23)C1,CHEMBL1914785,8.1
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)C1,CHEMBL1914786,8.0
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1,CHEMBL1914787,7.41
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1,CHEMBL1914788,8.68
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1,CHEMBL1914789,8.0
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)C1,CHEMBL1914790,7.51
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1,CHEMBL1914791,7.6
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1,CHEMBL1914792,8.28
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)C1,CHEMBL1914793,6.9
+CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1,CHEMBL1914794,6.81
+CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1,CHEMBL1914795,7.19
+CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1,CHEMBL1914796,7.12
+CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1,CHEMBL1914797,6.83
+CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1,CHEMBL1915020,7.48
+CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1,CHEMBL1915022,6.6
+Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(C(F)(F)F)cc3c2n1,CHEMBL1915026,7.38
+COc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1,CHEMBL1915027,6.44
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccccc3c2n1,CHEMBL1915030,6.71
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(Cl)c3c2n1,CHEMBL1915031,6.35
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(C(F)(F)F)c3c2n1,CHEMBL1915032,6.05
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(C(F)(F)F)cc3c2n1,CHEMBL1915034,6.57
+COc1ccc2oc3c(N4C[C@@H]5C[C@H]4CN5)nc(N)nc3c2c1,CHEMBL1915035,6.38
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Br)cc3c2n1,CHEMBL1915039,6.46
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Cl)cc3c2n1,CHEMBL1915040,6.08
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Br)ccc3c2n1,CHEMBL1915041,5.49
+Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Cl)ccc3c2n1,CHEMBL1915042,6.05
+CN1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1,CHEMBL1915044,7.48
+Nc1nc(N2CCNCC2)c2oc3ncc(Cl)cc3c2n1,CHEMBL1915045,7.46
+C[C@H]1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CCN1,CHEMBL1915046,6.05
+CN1CCCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1,CHEMBL1915047,7.43
+CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1,CHEMBL1915048,8.043
+Nc1nc(N2CC[C@@H](N)C2)c2oc3ncc(Cl)cc3c2n1,CHEMBL1915049,7.8
+Nc1nc(N2CC(N)C2)c2oc3ncc(Cl)cc3c2n1,CHEMBL1915050,6.21
+NCC1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1,CHEMBL1915051,6.42
+Nc1nc(N2CC3CCNC3C2)c2oc3ncc(Cl)cc3c2n1,CHEMBL1915052,6.86
+CN1CCN(c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ncn2)CC1,CHEMBL1916491,4.46
+CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1,CHEMBL1916494,6.03
+COCc1ccc(CN2CC[C@H](Nc3cc(NCCC(C)(C)C)ncn3)C2)o1,CHEMBL1916495,4.7
+CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1,CHEMBL1916496,4.7
+CN1CC[C@H](Nc2cc(NCCC(C)(C)C)ncn2)C1,CHEMBL1916497,6.23
+CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1,CHEMBL1916498,7.63
+CN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1,CHEMBL1916499,7.23
+CC(C)(C)CCNc1cc(N2CCNCC2)ncn1,CHEMBL1916500,6.7
+CN1CCCN(c2cc(NCC(C)(C)C)ncn2)CC1,CHEMBL1916501,6.63
+CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1,CHEMBL1916502,6.22
+CN(C)CCNc1cc(NCC2CC2)ncn1,CHEMBL1916505,7.49
+CN1CCN(c2cc(N3[C@@H]4CCC[C@@H]3C4)ncn2)CC1,CHEMBL1916503,6.07
+Cc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1,CHEMBL1916504,6.03
+Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL43934,7.32
+c1ccc(CN/C(=N/C2CCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923023,7.37
+c1ccc(CN/C(=N/C2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923024,7.12
+CCCCN/C(=N/C1CCCC1)SCCCc1cnc[nH]1,CHEMBL1923025,7.79
+Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1Cl,CHEMBL1923026,6.83
+CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL1923027,7.05
+Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2cnc[nH]2)cc1,CHEMBL1923028,6.64
+Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2cnc[nH]2)cc1Cl,CHEMBL1923029,6.42
+c1ncc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)[nH]1,CHEMBL1923030,7.5
+CC(C)(C)N/C(=N/C1CCCC1)SCCCc1cnc[nH]1,CHEMBL1923031,7.53
+CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1,CHEMBL1923032,7.05
+N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923033,6.9
+O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL1923034,6.87
+CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1,CHEMBL1923522,5.54
+OC(CNC1CC1)Cn1c2ccccc2c2ccccc21,CHEMBL1923533,5.62
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@H]2CCCC[C@H]2O1,CHEMBL1935450,8.22
+CN1CCN(c2ccnc(N)n2)CC1,CHEMBL501882,7.51
+CN1CCN(c2ncnc3ccccc23)CC1,CHEMBL506969,6.48
+CN1CCN(c2nc(N)nc3ccccc23)CC1,CHEMBL281590,7.42
+Cc1cccc2c(N3CCN(C)CC3)nc(N)nc12,CHEMBL1935555,7.04
+CN1CCN(c2nc(N)nc3c(Br)cccc23)CC1,CHEMBL1935556,6.95
+CN1CCN(c2nc(N)nc3c(-c4ccccc4)cccc23)CC1,CHEMBL1935557,7.49
+Cc1cccc(C)c1-c1cccc2c(N3CCN(C)CC3)nc(N)nc12,CHEMBL1935558,6.66
+CN1CCN(c2nc(N)nc3c(-c4ccc(C#N)cc4)cccc23)CC1,CHEMBL1935559,5.63
+COc1ccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)cc1,CHEMBL1935560,6.02
+CC(=O)c1cccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)c1,CHEMBL1935561,6.17
+CN1CCN(c2nc(N)nc3c(-c4ccoc4)cccc23)CC1,CHEMBL1935562,6.96
+Cc1ccc2nc(N)nc(N3CCN(C)CC3)c2c1,CHEMBL1935563,6.19
+Cc1ccc2c(N3CCN(C)CC3)nc(N)nc2c1,CHEMBL1935564,7.62
+CN1CCN(c2nc(N)nc3cc(Br)ccc23)CC1,CHEMBL1935565,7.77
+CN1CCN(c2nc(N)nc3cc(-c4ccccc4)ccc23)CC1,CHEMBL1935566,7.72
+Cc1cccc(C)c1-c1ccc2c(N3CCN(C)CC3)nc(N)nc2c1,CHEMBL1935567,7.05
+CN1CCN(c2nc(N)nc3cc(-c4ccc(C#N)cc4)ccc23)CC1,CHEMBL1935568,7.54
+COc1ccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)cc1,CHEMBL1935569,7.26
+CC(=O)c1cccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)c1,CHEMBL1935570,7.82
+CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1,CHEMBL1935571,8.31
+CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1,CHEMBL1935572,8.46
+CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1,CHEMBL1935573,8.3
+Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,CHEMBL1935574,7.922999999999999
+CN1C[C@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1,CHEMBL1938844,6.775
+Cc1c(F)ccc2nc(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)[nH]c12,CHEMBL1938845,7.145
+CN1C[C@H]2CN(C(=O)c3nc4ccc(F)c(F)c4[nH]3)C[C@H]2C1,CHEMBL1938846,7.0
+CN1C[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2C1,CHEMBL1938967,6.855
+CCN1C[C@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1,CHEMBL1938968,5.595
+CC(C)N1C[C@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1,CHEMBL1938969,5.46
+O=C(c1nc2ccc(Cl)cc2[nH]1)N1C[C@@H]2CNC[C@@H]2C1,CHEMBL1938970,5.19
+CN1C[C@H]2CN(C(=O)c3cc4cccnc4[nH]3)C[C@H]2C1,CHEMBL1938971,6.01
+CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)cnc4[nH]3)C[C@H]2C1,CHEMBL1938972,7.08
+CN1C[C@H]2CN(C(=O)c3cc4ccc(Cl)nc4[nH]3)C[C@H]2C1,CHEMBL1938973,5.68
+CN1C[C@H]2CN(C(=N)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1,CHEMBL1938974,7.42
+Cc1c(F)ccc2nc(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)[nH]c12,CHEMBL1938975,8.185
+CN1C[C@H]2CN(C(=N)c3nc4ccc(F)c(F)c4[nH]3)C[C@H]2C1,CHEMBL1938976,7.465
+CN1C[C@H]2CN(C(=N)c3nc4ccc(F)cc4[nH]3)C[C@H]2C1,CHEMBL1938977,8.19
+CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1,CHEMBL1938979,8.05
+CN1CCN(C(=O)c2cc3ccccc3s2)CC1,CHEMBL2047258,5.6
+CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1,CHEMBL2047259,6.6
+CN1CCN(C(=O)c2cc3ncccc3[nH]2)CC1,CHEMBL2047260,5.4
+CN1CCN(C(=O)c2cc3cnccc3[nH]2)CC1,CHEMBL2047261,5.2
+CN1CCN(C(=O)c2cc3ccncc3[nH]2)CC1,CHEMBL2047262,5.7
+CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1,CHEMBL2047263,7.5
+CN1CCN(C(=O)c2cc3c(Cl)cccc3[nH]2)CC1,CHEMBL2047264,7.5
+COc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12,CHEMBL2047265,6.0
+CN1CCN(C(=O)c2cc3c(O)cccc3[nH]2)CC1,CHEMBL2047266,6.8
+CN1CCN(C(=O)c2cc3c([N+](=O)[O-])cccc3[nH]2)CC1,CHEMBL2047267,6.1
+CN1CCN(C(=O)c2cc3c(N)cccc3[nH]2)CC1,CHEMBL2047268,6.5
+CC(=O)c1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12,CHEMBL2047269,5.3
+CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1,CHEMBL2047270,7.05
+CC(=O)c1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,CHEMBL2047271,4.9
+CN1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1,CHEMBL2047272,6.8
+COc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1,CHEMBL1437043,4.8
+CN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1,CHEMBL2047273,7.6
+CN1CCN(C(=O)c2cc3ccc([N+](=O)[O-])cc3[nH]2)CC1,CHEMBL2047274,5.7
+CN1CCN(C(=O)c2cc3ccc(N)cc3[nH]2)CC1,CHEMBL2047275,7.1
+CN1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1,CHEMBL2047276,7.7
+COc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL2047440,5.6
+CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1,CHEMBL2047441,6.1
+CN1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1,CHEMBL2047442,6.0
+Cc1cccc2cc(C(=O)N3CCNCC3)[nH]c12,CHEMBL2047443,7.4
+CN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)C1,CHEMBL2047444,6.2
+CNC1CN(C(=O)c2cc3cccc(C)c3[nH]2)C1,CHEMBL2047445,6.4
+Cc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12,CHEMBL2047446,7.1
+CN1CCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1,CHEMBL2047447,8.2
+CN1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1,CHEMBL2047448,8.2
+Cc1cc(Cl)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL2047449,8.2
+CN1CCN(C(=O)c2cc3cc(Cl)cc(N)c3[nH]2)CC1,CHEMBL2047450,8.3
+Cc1cc(Cl)cc2cc(C(=O)N3CCNCC3)[nH]c12,CHEMBL2047451,7.9
+CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1,CHEMBL2047452,6.6
+CNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1,CHEMBL2047453,6.7
+Cc1cc(Cl)cc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12,CHEMBL2047454,7.5
+CN1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL2047455,7.4
+CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1,CHEMBL2047456,6.4
+CN1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1,CHEMBL2047457,5.3
+CN1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1,CHEMBL2047458,6.6
+COc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12,CHEMBL2047459,4.8
+CN1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1,CHEMBL2047460,6.4
+Cc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12,CHEMBL2047461,5.8
+O=C(c1cc2cccc(F)c2[nH]1)N1CC(N2CCCC2)C1,CHEMBL2047462,7.4
+O=C(c1cc2cccc(F)c2[nH]1)N1CCNCC1,CHEMBL2047463,7.0
+CN[C@@H]1CCN(C(=O)c2cc3cccc(F)c3[nH]2)C1,CHEMBL2047464,6.3
+CNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1,CHEMBL2047465,6.4
+O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC(N2CCCC2)C1,CHEMBL2047466,8.0
+O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCNCC1,CHEMBL2047467,7.2
+CN1CCCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1,CHEMBL2047468,7.2
+CN1CCCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1,CHEMBL2047469,7.5
+O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CC(N2CCCC2)C1,CHEMBL2047470,7.8
+CNC1CN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1,CHEMBL2047471,7.0
+CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1,CHEMBL2047472,6.6
+O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CCNCC1,CHEMBL2047473,7.7
+CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1,CHEMBL2047474,6.4
+Cc1ccc(F)c2cc(C(=O)N3CCN(C)CC3)[nH]c12,CHEMBL2047475,7.4
+CN1CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)CC1,CHEMBL2047476,7.1
+CN1CCN(c2nc(N)nc3c2cc(-c2ccc(F)cc2)n3C)CC1,CHEMBL2314768,4.17
+Cn1c(-c2ccc(F)cc2)cc2c(N3CCNCC3)nc(N)nc21,CHEMBL2314767,4.36
+Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1,CHEMBL2314766,4.6
+CCCCn1ccc2c(N3CCNCC3)nc(N)nc21,CHEMBL2314765,5.09
+Cn1ccc2c(N3CCNCC3)nc(N)nc21,CHEMBL2314764,4.44
+CN1CCN(c2nc(N(C)C)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1,CHEMBL2314763,4.98
+Nc1nc(N[C@H]2CCNC2)c2cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL2314762,5.23
+Nc1nc(N2CC[C@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL2314761,6.01
+Nc1nc(N2CC[C@@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL2314760,5.77
+CN1CCCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1,CHEMBL2314759,5.53
+CN1CCCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1,CHEMBL2314501,5.85
+CN1CCCN(c2nc(N)nc3[nH]ccc23)CC1,CHEMBL2314500,5.06
+CC(C)N1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1,CHEMBL2314499,4.32
+CCN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1,CHEMBL2314498,5.39
+Nc1nc(N2CCNCC2)c2cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL2314497,6.41
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)c(Cl)c4)cc23)CC1,CHEMBL2314496,4.44
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Br)cc4)cc23)CC1,CHEMBL2314495,5.05
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(C#N)cc4)cc23)CC1,CHEMBL2314494,5.14
+Cc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1,CHEMBL2314777,5.43
+COc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1,CHEMBL2314776,5.48
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)cc4)cc23)CC1,CHEMBL2314775,5.48
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1,CHEMBL2314774,5.58
+CN1CCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1,CHEMBL2314773,5.27
+Nc1nc(N2CCNCC2)c2cc(-c3ccccc3)[nH]c2n1,CHEMBL2314772,5.85
+Cc1cc2c(N3CCNCC3)nc(N)nc2[nH]1,CHEMBL2314771,5.57
+Nc1nc(N2CCNCC2)c2cc[nH]c2n1,CHEMBL2314770,4.34
+CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CHEMBL2323582,5.13
+CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1,CHEMBL2376804,8.28
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1,CHEMBL2376803,8.19
+CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376801,8.04
+CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376800,7.97
+CN1CCN(c2nc(N)nc3cccnc23)CC1,CHEMBL2376788,7.51
+CN[C@@H]1CCN(c2nc(N)nc3cc(C(C)C)cnc23)C1,CHEMBL2376807,7.91
+CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)cnc23)C1,CHEMBL2376806,7.99
+CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1,CHEMBL2376805,7.6
+CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1,CHEMBL2376802,7.27
+CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1,CHEMBL2376799,8.03
+CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1,CHEMBL2376798,7.66
+CCc1ccc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,CHEMBL2376797,7.77
+CCc1ccc2c(N3CC(NC)C3)nc(N)nc2c1,CHEMBL2376796,7.95
+CCc1ccc2c(N3CCNCC3)nc(N)nc2c1,CHEMBL2376795,7.83
+CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1,CHEMBL2376794,8.15
+Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1,CHEMBL2376793,7.94
+CNC1CN(c2nc(N)nc3cc(C(C)(C)C)ccc23)C1,CHEMBL2376792,7.82
+CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1,CHEMBL2376791,7.45
+CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1,CHEMBL2376790,8.47
+Nc1nc(N2CCNCC2)c2ccc(C3CCCC3)cc2n1,CHEMBL2376789,7.91
+Nc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1,CHEMBL2375773,8.1
+CC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1,CHEMBL2375772,8.5
+CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1,CHEMBL493720,8.6
+CN(CCNc1ccnc(N)n1)C(=O)c1cc2ccccc2[nH]1,CHEMBL2375753,5.0
+CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1,CHEMBL2375752,5.5
+Nc1nccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)n1,CHEMBL2375751,6.5
+Nc1nccc(NCCNC(=O)c2cc3ccccc3[nH]2)n1,CHEMBL2375750,5.9
+CN(CCNc1cc(-c2ccccc2)nc(N)n1)c1ccnc(N)n1,CHEMBL2375749,7.1
+CC(C)CNc1nccc(NCCN(C)c2cc(-c3ccccc3)nc(N)n2)n1,CHEMBL2375748,7.5
+CC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1,CHEMBL2375668,8.0
+CC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1,CHEMBL2375667,7.4
+CC(C)CNc1nccc(NCCN(C)c2cc(-c3cccc(Cl)c3)nc(N)n2)n1,CHEMBL2375771,7.3
+CN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1,CHEMBL2375770,8.0
+CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)ncn1,CHEMBL2375363,6.3
+CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1,CHEMBL2375769,6.0
+CC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1,CHEMBL2375768,7.1
+CC(C)CNc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1,CHEMBL2375767,7.3
+CC(C)CNc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1,CHEMBL2375766,7.1
+CC(C)CNc1nc(NCCNc2ccnc(N)n2)cc(-c2ccccc2)n1,CHEMBL2375765,5.9
+CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1,CHEMBL2375764,6.2
+Nc1nc(Cl)cc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1,CHEMBL2375763,5.6
+Cc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1,CHEMBL2375762,7.4
+Nc1nc(NCCNc2ccncn2)cc(-c2ccccc2)n1,CHEMBL2375761,5.7
+CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1,CHEMBL2375760,5.5
+CC(C)CCc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1,CHEMBL2375759,6.4
+Nc1nc(NCCNc2cc(-c3ccccc3)nc(N)n2)cc(-c2ccccc2)n1,CHEMBL2375758,6.0
+Nc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1,CHEMBL2375757,8.2
+CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1,CHEMBL2375756,7.6
+CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1,CHEMBL2375755,7.1
+Nc1nccc(NCCNc2ccnc(N)n2)n1,CHEMBL2375754,6.1
+O=C(NCCOc1ccccc1Cl)OCCCc1cnc[nH]1,CHEMBL2413362,4.79
+O=C(NCCc1ccc(Cl)cc1)OCCCc1cnc[nH]1,CHEMBL2413359,5.17
+O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789356,5.3
+O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789801,5.35
+O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL1789800,5.81
+CC/C=C/CCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789782,4.88
+CCC/C=C/CNC(=O)OCCCc1cnc[nH]1,CHEMBL1789799,5.15
+C=CCCCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789558,4.38
+C=CCCNC(=O)OCCCc1cnc[nH]1,CHEMBL1789360,5.42
+O=C(NCCC1CC1)OCCCc1cnc[nH]1,CHEMBL1789829,5.81
+CN1CCN(c2cc(-c3ccc(N)cc3)nc(N)n2)CC1,CHEMBL3133130,8.3
+COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1,CHEMBL494648,7.8
+CN1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)CC1,CHEMBL3133131,8.1
+CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1,CHEMBL3236552,8.85
+CN1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1,CHEMBL3236550,7.7
+CN1CCN(C(=O)c2nc3c([nH]2)CCCC3)CC1,CHEMBL3236551,7.41
+Nc1nc(C2CCCC2)cc(N2CCNCC2)n1,CHEMBL3236553,8.96
+CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1,CHEMBL3236554,8.96
+CN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1,CHEMBL3236555,7.6
+Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1,CHEMBL3236556,9.04
+Nc1nc(C2CCCC2)cc(N2CC[C@H](N)C2)n1,CHEMBL3236557,7.44
+Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1,CHEMBL3236558,8.26
+Nc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1,CHEMBL3236559,6.59
+Nc1nc(C2CCCC2)cc(N2C[C@H]3CCCN[C@H]3C2)n1,CHEMBL3236560,8.74
+Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1,CHEMBL3236561,8.54
+CN1C[C@H]2CN(c3cc(C4CCCC4)nc(N)n3)C[C@H]2C1,CHEMBL3236562,7.6
+Nc1nc(C2CCCC2)cc(N2C[C@@H]3CNC[C@@H]3C2)n1,CHEMBL3236563,6.48
+Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1,CHEMBL3236564,7.95
+CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O,CHEMBL3236565,7.52
+Nc1nc(C2CCCC2)cc(N2C[C@H]3NCCO[C@@H]3C2)n1,CHEMBL3233048,7.25
+Nc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1,CHEMBL3236566,6.28
+CN[C@@H]1CCN(c2cc(C)nc(N)n2)C1,CHEMBL3236567,7.11
+CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1,CHEMBL3236568,7.68
+CCc1cc(N2CC[C@@H](N)C2)nc(N)n1,CHEMBL3236569,7.68
+CN[C@@H]1CCN(c2cc(C(C)C)nc(N)n2)C1,CHEMBL3236570,7.92
+CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1,CHEMBL3236571,8.82
+CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1,CHEMBL3236572,7.44
+Nc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1,CHEMBL3236573,7.0
+CN[C@@H]1CCN(c2cc(C3CC3)nc(N)n2)C1,CHEMBL3236574,7.55
+CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1,CHEMBL3236575,8.62
+CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1,CHEMBL3236576,8.64
+CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1,CHEMBL3236577,8.1
+CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1,CHEMBL3236578,8.03
+CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1,CHEMBL3236579,8.77
+CN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1,CHEMBL3236580,6.45
+CN[C@@H]1CCN(c2nc(N)nc3c2CCC3)C1,CHEMBL3236581,6.8
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1,CHEMBL3236582,7.37
+Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2ccc(F)c(C)c2[nH]1,CHEMBL3236548,8.3
+Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238444,4.69
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1,CHEMBL3238447,5.03
+CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1,CHEMBL3290570,8.0
+CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1,CHEMBL3290578,6.28
+CN1CCN(c2nc(N)nc(-c3ccc(F)cc3)n2)CC1,CHEMBL3290577,6.42
+CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1,CHEMBL3290576,6.69
+CN1CCN(c2nc(N)nc(-c3cccc(C#N)c3)n2)CC1,CHEMBL3290575,5.29
+Cc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1,CHEMBL3290574,5.76
+CN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1,CHEMBL3290573,6.39
+CN1CCN(c2nc(N)nc(-c3ccccc3Cl)n2)CC1,CHEMBL3290572,5.9
+CN1CCN(c2nc(N)nc(-c3ccccc3)n2)CC1,CHEMBL3290571,5.96
+CN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1,CHEMBL3290579,5.62
+Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1,CHEMBL3290580,6.37
+CN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1,CHEMBL3290581,5.37
+CN1CCN(c2nc(N)nc(-c3ccc(C#N)cc3)n2)CC1,CHEMBL3290582,5.63
+CN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1,CHEMBL3290583,4.19
+COc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1Cl,CHEMBL3290584,5.83
+COc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1,CHEMBL3290585,5.22
+CN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL3290586,6.1
+CN1CCN(c2nc(N)nc(-c3c(F)cccc3F)n2)CC1,CHEMBL3290587,5.29
+CN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1,CHEMBL3290588,5.92
+CN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1,CHEMBL3290589,5.75
+Cc1cc(C)cc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1,CHEMBL3290590,4.98
+Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C,CHEMBL3290591,6.08
+Nc1cc(N2CCNCC2)cc(NC2CCCC2)n1,CHEMBL3354820,8.7
+Nc1cc(C2CCNCC2)cc(NC2CCCC2)n1,CHEMBL3354819,7.3
+Nc1nc(C2CCCC2)cc(C2CCNCC2)n1,CHEMBL3354817,5.81
+CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1,CHEMBL3354816,7.72
+CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1,CHEMBL3354815,8.16
+CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1,CHEMBL3354814,6.34
+CN[C@@H]1CCN(c2cc(N)nc(C(C)C)n2)C1,CHEMBL3354813,6.49
+CN[C@@H]1CCN(c2cc(CCC(F)(F)F)nc(N)n2)C1,CHEMBL3354812,7.8
+CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1,CHEMBL3354811,7.96
+CN[C@@H]1CCN(c2cc(CF)nc(N)n2)C1,CHEMBL3354809,6.9
+CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1,CHEMBL3354808,7.04
+CCc1cc(N2CC[C@@H](NC)C2)ncn1,CHEMBL3354807,6.34
+CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1,CHEMBL3393557,8.3
+CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1,CHEMBL3393556,8.1
+CN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1,CHEMBL3393555,6.44
+CN[C@H]1CCN(c2cnnc(NC3CCCC3)c2)C1,CHEMBL3393554,6.62
+CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1,CHEMBL3393553,8.22
+CN1CCN(c2cnnc(NC3CCCC3)c2)CC1,CHEMBL3393552,6.08
+CN[C@H]1CCN(c2cnnc(NCC(C)C)c2)C1,CHEMBL3393551,6.41
+CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1,CHEMBL3393550,7.26
+CC(C)CNc1cc(N2CCN(C)CC2)cnn1,CHEMBL3393549,5.0
+CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1,CHEMBL3393548,8.1
+CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1,CHEMBL3393547,9.1
+CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1,CHEMBL3393546,7.07
+CN[C@H]1CCN(c2ccnc(NC3CCCC3)n2)C1,CHEMBL3393545,7.35
+CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1,CHEMBL3393544,8.7
+CN1CCN(c2ccnc(NC3CCCC3)n2)CC1,CHEMBL3393543,7.2
+CCCCNc1nccc(N2CC[C@@H](NC)C2)n1,CHEMBL3393542,8.52
+CCCCNc1nccc(N2CCN(C)CC2)n1,CHEMBL3393541,7.26
+CN[C@H]1CCN(c2ccnc(NCC(C)C)n2)C1,CHEMBL3393540,6.87
+CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1,CHEMBL3393539,8.7
+CC(C)CNc1nccc(N2CCN(C)CC2)n1,CHEMBL3393538,7.16
+CN[C@H]1CCN(c2ccnc(NC(C)C)n2)C1,CHEMBL3393537,6.93
+CC(C)Nc1nccc(N2CCN(C)CC2)n1,CHEMBL3393536,6.93
+CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1,CHEMBL3393535,8.22
+CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1,CHEMBL3393534,9.0
+CN[C@H]1CCN(c2ccnc(NC3CCCC3)c2)C1,CHEMBL3393533,7.48
+CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1,CHEMBL3393532,8.4
+CN1CCN(c2ccnc(NC3CCCC3)c2)CC1,CHEMBL3393531,7.8
+CCCCNc1cc(N2CC[C@H](NC)C2)ccn1,CHEMBL3393530,6.96
+CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1,CHEMBL3393529,8.15
+CCCCNc1cc(N2CCN(C)CC2)ccn1,CHEMBL3393528,6.75
+CN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1,CHEMBL3393527,7.02
+CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1,CHEMBL3393526,8.7
+CC(C)CNc1cc(N2CCN(C)CC2)ccn1,CHEMBL3393525,7.29
+CN[C@@H]1CCN(c2ccnc(N3CCCCC3)c2)C1,CHEMBL3393524,7.01
+CN1CCN(c2ccnc(N3CCCCC3)c2)CC1,CHEMBL3393523,6.85
+CN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1,CHEMBL3393522,6.67
+CN1CCN(c2ccnc(-c3ccsc3)c2)CC1,CHEMBL3393521,7.68
+CN1CCN(c2nc(N)nc(/C=C/c3c[nH]c4ccccc34)n2)CC1,CHEMBL3628052,5.6
+CN1CCN(c2nc(N)nc(/C=C/c3ccc4ccccc4c3)n2)CC1,CHEMBL3628051,5.42
+CN1CCN(c2nc(N)nc(/C=C/c3cccc4ccccc34)n2)CC1,CHEMBL3627724,4.52
+CN1CCN(c2nc(N)nc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CC1,CHEMBL3628050,5.59
+CN1CCN(c2nc(N)nc(/C=C/c3cccc(C#N)c3)n2)CC1,CHEMBL3628049,5.58
+CN1CCN(c2nc(N)nc(/C=C/c3cccc(C(F)(F)F)c3)n2)CC1,CHEMBL3628048,5.61
+CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1,CHEMBL3628042,6.6
+CN1CCN(c2nc(N)nc(/C=C/c3cccc(F)c3)n2)CC1,CHEMBL3628047,5.45
+CN1CCN(c2nc(N)nc(/C=C/c3ccccc3Cl)n2)CC1,CHEMBL3628041,5.31
+CN1CCN(c2nc(N)nc(/C=C/c3cccc(Br)c3)n2)CC1,CHEMBL3628046,5.94
+Cc1ccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)cc1,CHEMBL3629829,4.43
+CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL3628045,5.75
+Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1,CHEMBL3629828,6.15
+CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3Cl)n2)CC1,CHEMBL3628044,5.04
+Cc1ccccc1/C=C/c1nc(N)nc(N2CCN(C)CC2)n1,CHEMBL3629827,5.65
+CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3)n2)CC1,CHEMBL3628043,5.38
+CN1CCN(c2nc(N)nc(/C=C/c3ccccc3)n2)CC1,CHEMBL3629826,5.28
+Cc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1,CHEMBL3739776,6.83
+CCc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1,CHEMBL3741986,6.57
+COc1ccc2c(c1)[nH]c1c(N3CCN(C)CC3)ncnc12,CHEMBL3739430,5.2
+CN(C)CCNc1ncnc2c1[nH]c1ccc(Cl)cc12,CHEMBL588176,5.23
+COc1ccc2[nH]c3c(N4CCN(C)CC4)ncnc3c2c1,CHEMBL3740837,5.23
+Cc1cc2nc(SCCN(C)C)[nH]c2cc1C,CHEMBL3739949,5.16
+Cc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12,CHEMBL3740846,5.19
+Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1,CHEMBL1381010,5.16
+CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3752270,5.8
+Cc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,CHEMBL3754176,4.7
+CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3753334,4.96
+COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,CHEMBL3752225,5.37
+CN1CCN(c2nc(NCCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,CHEMBL3753962,5.04
+CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,CHEMBL3752885,4.84
+CN1CCN(c2nc(NCCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,CHEMBL3753621,4.82
+COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1,CHEMBL3753784,4.71
+CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1,CHEMBL3752085,6.02
+COc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1,CHEMBL3752195,5.76
+CN1CCN(c2cc(-c3ccccc3)nc(NCCc3ccccc3)n2)CC1,CHEMBL3752383,5.01
+CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1,CHEMBL3753849,4.5
+COc1ccc(CNc2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1,CHEMBL3754008,4.14
+CN1CCN(c2nc(NCCc3ccccc3)cc(-c3ccccc3)n2)CC1,CHEMBL3752978,4.44
+CN1CCN(c2nc(NCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,CHEMBL3753967,4.58
+COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1,CHEMBL3752972,4.86
+CN1CCN(c2nc(NCCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,CHEMBL3753985,5.17
+CN1CCN(c2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)CC1,CHEMBL3753705,5.11
+CN/C(=N\C#N)NC[C@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3804906,6.815
+CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806206,6.865
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1,CHEMBL3806079,6.67
+CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805437,6.06
+CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3806162,5.46
+N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805431,6.54
+N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2cnc[nH]2)C1,CHEMBL3805220,5.98
+CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(C(C)(F)F)cc23)C1,CHEMBL3819260,9.0
+CN[C@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1,CHEMBL3819470,8.47
+CN[C@H]1CCN(c2nc(N)nc3c2CCC3)C1,CHEMBL3818355,6.8
+CN[C@H]1CCN(c2nc(N)nc(C)c2C)C1,CHEMBL3818402,6.45
diff --git a/chembl_200/CHEMBL3769.csv b/chembl_200/CHEMBL3769.csv
new file mode 100644
index 0000000000000000000000000000000000000000..73e189a54adba6310b495855effb39145cbea161
--- /dev/null
+++ b/chembl_200/CHEMBL3769.csv
@@ -0,0 +1,517 @@
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL345492,7.7
+N=C(N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL55035,7.49
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151562,7.52
+N=C(N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL94336,7.54
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151481,7.82
+COC(=O)C1C/C(=C\c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL345990,7.14
+CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356466,7.05
+N=C(N)c1cccc(/C=C2/CCCC/C(=C/c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL331437,7.36
+CCOC(=O)N1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL151661,7.21
+N=C(N)c1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149410,7.25
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL422321,7.52
+CNC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL346222,5.04
+CC(C)OC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL423770,5.43
+NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL346607,6.16
+COC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL153565,5.24
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C(C)C)c1,CHEMBL154985,6.34
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1,CHEMBL153334,4.85
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL106079,6.16
+CCOC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL357067,8.08
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1,CHEMBL148317,6.7
+COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153412,6.41
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1,CHEMBL319868,6.66
+COC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL347493,7.44
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL356007,7.43
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL356216,7.13
+CC1CCN(C(=O)C(N)Cc2cccc(C(=N)N)c2)CC1,CHEMBL358387,4.54
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)cc1,CHEMBL422147,6.28
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,CHEMBL104970,7.57
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL348443,6.2
+NC(N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(N)N)cc3)C2=O)cc1,CHEMBL357079,7.05
+Cc1cc(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)c(C)c1,CHEMBL358441,5.4
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1,CHEMBL348266,5.92
+CC1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153732,6.28
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1,CHEMBL104241,6.48
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL97597,6.85
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)O,CHEMBL406070,5.03
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159686,9.24
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)s1)C(c1ccccc1)c1ccccc1,CHEMBL268824,7.07
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159688,8.52
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159691,8.36
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(N)=NN)cs1)C(c1ccccc1)c1ccccc1,CHEMBL414606,6.6
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(CN)c1)C(c1ccccc1)c1ccccc1,CHEMBL8079,6.22
+Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(C)(=O)=O)C(c2ccccc2)c2ccccc2)ccc1CN,CHEMBL7213,6.96
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)cc1)C(c1ccccc1)c1ccccc1,CHEMBL7865,8.0
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1,CHEMBL1159692,9.51
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)cc1)C(c1ccccc1)c1ccccc1,CHEMBL8133,6.82
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1,CHEMBL269575,9.15
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159694,8.6
+NN=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL267502,5.96
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159687,9.52
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)NC2CCCCC2)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159685,9.6
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)c(N)c1)C(c1ccccc1)c1ccccc1,CHEMBL415298,7.96
+CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL268640,9.1
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C(N)=NN)c1)C(c1ccccc1)c1ccccc1,CHEMBL7292,6.27
+COP(O)(O)(N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1)OC,CHEMBL1159690,8.54
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN)nc1)C(c1ccccc1)c1ccccc1,CHEMBL7418,6.66
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Nc2ccccc2)C(c2ccccc2)c2ccccc2)cc1,CHEMBL1159689,8.82
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(CN)cs1)C(c1ccccc1)c1ccccc1,CHEMBL268833,7.17
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)s1)C(c1ccccc1)c1ccccc1,CHEMBL7895,9.22
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=NN)s1)C(c1ccccc1)c1ccccc1,CHEMBL7440,7.92
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1,CHEMBL451242,8.0
+CS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,CHEMBL7860,8.89
+NCCCc1ccccc1,CHEMBL276864,4.49
+NCCc1ccccc1,CHEMBL610,4.96
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2)cc1,CHEMBL384295,5.92
+NC1CC1c1ccccc1,CHEMBL313833,4.88
+NCc1ccc(F)cc1,CHEMBL12392,6.37
+NCCCCc1ccccc1,CHEMBL79512,4.7
+NCC1CCCCC1,CHEMBL1049,5.93
+N=C(N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL358910,6.16
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL357795,6.47
+COC(=O)C1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C\c2ccc(C(=N)N)cc2)C1,CHEMBL151144,7.0
+N=C(N)c1ccc(/C=C2/CCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358918,7.0
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150612,6.8
+N=C(N)c1ccc(/C=C2\CCCC/C(=C/c3ccc(C(N)=O)cc3)C2=O)cc1,CHEMBL151480,6.3
+N=C(N)c1ccc(/C=C2/CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151049,6.59
+N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL149960,6.14
+N=C(N)c1ccc(/C=C2/CCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150277,6.36
+COC(=O)C1C/C(=C/c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL151293,6.65
+N=C(N)c1ccc(/C=C2\CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL359275,5.82
+N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150962,6.23
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL355969,5.66
+CNC(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356630,6.81
+N=C(N)c1ccc(/C=C2\CC(C(=O)O)C/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL345710,6.06
+N=C(N)c1cccc(/C=C2\CCCC/C(=C\c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL326552,6.39
+CNC(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153660,6.08
+N=C(N)c1ccc(/C=C2/CC(C(=O)O)C/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL151164,6.37
+N=C(N)c1ccc(/C=C2\CCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150309,6.51
+CCOC(=O)N1C/C(=C\c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1,CHEMBL348671,6.9
+N=C(N)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL358180,7.0
+N=C(N)c1ccc(/C=C2/CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL356862,5.68
+N=C(N)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150308,6.77
+CN(C)C(=N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL153659,6.3
+N=C(N)c1cccc(/C=C2/CCCC/C(=C\c3cccc(C(=N)N)c3)C2=O)c1,CHEMBL325022,6.7
+N=C(N)c1ccc(/C=C2\CCCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150434,5.52
+N=C(N)c1ccc(/C=C2/CCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1,CHEMBL150739,6.72
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1,CHEMBL28365,10.14
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN21)C(=O)c1nc2ccccc2s1,CHEMBL27852,9.64
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1,CHEMBL28817,10.57
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1,CHEMBL282830,9.19
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(S(=O)N(C)C)c2)c1F,CHEMBL82739,5.62
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL84275,6.4
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(C4=NCCN4)c3)n2)c1,CHEMBL315014,5.85
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(NCCN)c3)n2)c1,CHEMBL432939,6.46
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N(C)C)c2)c1F,CHEMBL70730,5.57
+COc1cc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cc(C(=O)N(C)C)c1,CHEMBL314047,6.12
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F,CHEMBL79986,6.26
+CCNc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL83054,5.57
+CCN(CC)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1,CHEMBL314591,5.68
+COc1ccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cc1C(=O)N(C)C,CHEMBL83106,6.35
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL419651,5.96
+Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)n1,CHEMBL79529,6.33
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)C(C)C)c2)c1F,CHEMBL81007,5.42
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(O)cc(C(=O)N(C)C)c2)c1F,CHEMBL420963,5.72
+CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL312592,6.14
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL82925,6.0
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL82006,6.28
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N3CCOCC3)c2)c1F,CHEMBL79447,5.7
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(C(=O)N(C)C)ccc2O)c1F,CHEMBL83392,5.43
+N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL48604,6.24
+N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(-n4ccnc4)c3)n2)c1,CHEMBL310373,5.92
+Cc1c(F)c(Oc2cccc(CC(=O)N(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL82175,5.38
+Cc1c(F)c(Oc2cccc(CN)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL83743,5.54
+CN(C)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84437,6.12
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(N(C)C)c2)c1F,CHEMBL83675,5.72
+Cc1nccn1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309879,6.24
+CN1CCN=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL84065,6.66
+Cc1c(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cccc1N(C)C,CHEMBL84419,5.3
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL49636,6.09
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(C(=O)N(C)C)cc(O)c2O)c1F,CHEMBL81301,5.47
+Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(=N)N)cc(O)c2O)c1F,CHEMBL82456,5.96
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(C(=O)N(C)C)cc(C(=O)N(C)C)c2)c1F,CHEMBL79258,5.8
+Cn1ccnc1-c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL309541,6.185
+CC1(C)CN=C(c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)N1,CHEMBL82339,5.85
+Cc1c(F)c(Oc2cccc(NS(C)(=O)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL441450,5.72
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(-n3ccnc3)c2)c1F,CHEMBL309617,5.32
+COc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F,CHEMBL83925,5.68
+CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,CHEMBL79303,6.67
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N3CCCC3)c2)c1F,CHEMBL81893,5.55
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(Cl)c(N(C)C)c2)c1F,CHEMBL84502,6.0
+COc1ccc(C(=N)N)cc1Oc1nc(Oc2cccc(C(=O)N(C)C)c2)c(F)c(C)c1F,CHEMBL311608,5.37
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)N3CCCCC3)c2)c1F,CHEMBL83798,5.52
+Cc1c(F)c(Oc2cccc(OC(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL419661,5.54
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(O)C(=O)N(C)C)c2)c1F,CHEMBL83324,5.48
+Cc1c(F)c(Oc2cccc(CCC(=O)N(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL84379,5.31
+Cc1cn(-c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)cn1,CHEMBL79828,6.8
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)cc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL126575,6.13
+Cc1c(F)c(Oc2cccc(CN)c2)cc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL127052,5.54
+N=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL51173,6.325
+N=C(N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1,CHEMBL24827,5.77
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2C(F)(F)F)CC1,CHEMBL26500,7.3
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+CC(=N)N1CCC(Oc2ccc(NC/C(C)=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL27228,8.3
+CC(=N)N1CCC(Oc2ccc(NCc3ccc4ccc(C(=N)N)cc4c3)cc2[N+](=O)[O-])CC1,CHEMBL25034,8.15
+CC(=N)N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1,CHEMBL25461,7.38
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2)CC1,CHEMBL25673,7.1
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)c3ccc(C(=O)O)c(C(=O)O)c3)cc2C(F)(F)F)CC1,CHEMBL24263,8.0
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+CCOC(=O)c1cc(NC/C=C/c2cccc(C(=N)N)c2)ccc1OC1CCN(C(C)=N)CC1,CHEMBL24674,7.4
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+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL423656,6.7
+CS(=O)(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL24287,5.9
+CC(=N)N1CCC(Oc2ccc(N(C/C=C/c3cccc(C(=N)N)c3)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL424589,6.96
+N=C(N)c1ccc(O)c(/C=C/CNc2ccc(OC3CCN(C(N)=O)CC3)c(C(F)(F)F)c2)c1,CHEMBL24433,6.28
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1,CHEMBL24630,7.57
+CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2F)CC1,CHEMBL24508,7.15
+CC(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(=N)N)ccc3O)cc2C(F)(F)F)CC1,CHEMBL26400,6.08
+CN1CCC(Oc2ccc(N(C/C=C/c3cc(C(=N)N)ccc3O)C(=O)CCC(=O)O)cc2C(F)(F)F)CC1,CHEMBL277424,6.12
+CC(=N)N1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1,CHEMBL25351,8.52
+Cc1cc(OCCc2ccc(C(=N)N)c(O)c2)cc(OS(=O)(=O)c2cccc(C)c2)c1,CHEMBL117266,4.49
+CCc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1,CHEMBL115413,5.21
+COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(=N)N)cc2)c1,CHEMBL116149,6.58
+COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(=N)N)c(O)c2)c1,CHEMBL114124,4.55
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,CHEMBL1166,5.54
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N,CHEMBL273196,8.225
+C=C1CC(c2ccc(NC(=N)N)cc2)CC(=O)O1,CHEMBL134926,5.03
+C[S+](Cc1ccc2cc1C(=O)NCC(=O)NC(CCCCN)C(=O)N2)c1ccccc1,CHEMBL557221,4.06
+C[S+](Cc1ccc2cc1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N2)c1ccccc1,CHEMBL540392,4.92
+NCCCCC1NC(=O)CNC(=O)c2cc(ccc2CBr)NC1=O,CHEMBL288573,4.1
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+N=C(N)Nc1ccc(C2CC(=O)O/C(=C\I)C2)cc1,CHEMBL137269,5.37
+N=C(N)NCc1ccc(C2CC/C(=C/I)OC2=O)cc1,CHEMBL135723,7.1
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+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291261,9.25
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(c3ccccc3)c3ccccc3)O[C@@H]1C2,CHEMBL418050,9.36
+COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL36744,10.27
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL290577,9.57
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL287918,9.35
+CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL291026,9.49
+CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,CHEMBL288176,8.62
+CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2,CHEMBL285285,9.82
+CN(C)c1cccc2c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)N3CCCCC3)cccc12,CHEMBL545680,5.63
+COC(=O)C(Cc1cccc(C(=N)N)c1)C(C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,CHEMBL110419,7.16
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL420790,5.01
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1,CHEMBL314585,5.48
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CCCC1,CHEMBL314942,5.32
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL266196,4.87
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL424052,4.85
+CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)cccc12,CHEMBL421880,4.77
+CN(C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1,CHEMBL316205,5.2
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(CN)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL83345,5.04
+N=C(N)N1CCC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL559194,4.77
+CCOC(=O)CN(C)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL543893,4.64
+CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1,CHEMBL553963,4.57
+CN(CC(=O)O)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL128980,4.7
+N=C(N)N1CCCC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)C1,CHEMBL539557,4.55
+C[C@@H]1CCN(C(=O)[C@H](CC(=O)NC[C@@H]2CCCN(C(=N)N)C2)NS(=O)(=O)c2ccc3ccccc3c2)[C@@H](C(=O)O)C1,CHEMBL126238,6.11
+N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1,CHEMBL325166,5.72
+N=C(N)N1CCC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL544830,4.59
+N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CCCCC2)C1,CHEMBL338669,5.42
+N=C(N)N1CCC[C@@H](CNC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL555314,4.92
+N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)Cc2ccccc2)C1,CHEMBL341260,6.82
+N=C(N)N1CCCC(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL539047,4.38
+N=C(N)N1CCCC(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL544356,4.48
+CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1,CHEMBL543419,4.52
+CCCCN(CC(=O)OCC)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL539815,4.32
+N=C(N)N1CCCC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)C1,CHEMBL558215,5.12
+N=C(N)N1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL542951,4.57
+CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL539559,5.07
+CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL409333,5.96
+N=C(N)N1CCCC(CNC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL544130,4.51
+Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)NCC3CCCN(C(=N)N)C3)cc2)cc1,CHEMBL552997,4.49
+CCOC(=O)C1CCN(C(=O)[C@H](CC(=O)NCC2CCCN(C(=N)N)C2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL543183,5.27
+CCCCN(CC(=O)O)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL339094,5.51
+N=C(N)N1CCCC(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL544131,4.12
+CC(=O)Nc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCC2CCCN(C(=N)N)C2)cc1,CHEMBL558610,4.7
+Cc1cc(OCCCCNC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL287807,4.38
+Cc1cc(OCc2ccc(C(=N)N)cc2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL168290,5.57
+Cc1cc(OCc2cccc(C(=N)N)c2)cc(OS(=O)(=O)c2ccccc2Cl)c1,CHEMBL170911,5.82
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)C1=O,CHEMBL430844,6.55
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL99281,7.85
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)C1=O,CHEMBL317527,8.68
+COC1C[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)C(=O)NCCCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1,CHEMBL317428,7.89
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](c2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL431429,7.96
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)[C@H](CC(c2ccccc2)c2ccccc2)NC(=O)C1=O,CHEMBL319017,8.6
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](NC=O)CNC(=O)C=C[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1=O,CHEMBL317974,9.0
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC(=O)C1=O,CHEMBL100712,7.6
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL328200,7.18
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)[C@H](CCc2ccccc2)NC(=O)C1=O,CHEMBL317353,8.28
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)C1=O,CHEMBL98856,6.15
+N=C(N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O,CHEMBL101049,8.0
+CN(C(=O)[C@H](Cc1ccc(C(=N)N)s1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL298013,6.82
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)s2)C(=O)N(C)C2CCCC2)cc1,CHEMBL48133,6.82
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(=N)N)s3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL296956,6.87
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL46842,5.61
+CN(C(=O)[C@H](Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7656,4.79
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc(C)c2)c1,CHEMBL341126,4.77
+COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCC/C=N/NC(=N)N)c1,CHEMBL340424,4.17
+Cc1cc(OCC2(/C=N/NC(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1,CHEMBL128436,4.77
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,CHEMBL128443,4.64
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2cccc3ccccc23)c1,CHEMBL128560,4.35
+Cc1cc(OCC/C=N/NC(=N)N)cc(OCc2ccccc2C(F)(F)F)c1,CHEMBL129656,4.83
+Cc1cc(OCC/C=N/NC(=N)N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1,CHEMBL340276,4.23
+N=C(N)c1cccc(Oc2ccc(NC(=O)c3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL295263,6.59
+N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL48691,5.74
+N=C(N)c1cccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL50127,5.96
+CC(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL49295,5.92
+N=C(N)c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL48206,5.92
+N=C(N)c1cccc(Oc2ccc(C(=O)NCC(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL49358,5.7
+N=C(N)c1cccc(Oc2cncc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL45785,6.01
+N=C(N)c1cccc(Oc2c[n+]([O-])cc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL48497,5.89
+CCOC(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL48161,6.04
+CNC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48409,6.12
+CN(C)C(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL52479,6.11
+CS(=O)(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL48595,5.72
+N=C(N)c1cccc(OC2N=C(Oc3cccc(C(=N)N)n3)CNC2=O)c1,CHEMBL50961,6.12
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)n2)cc1,CHEMBL298415,5.55
+CCOC(=O)c1cc(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1,CHEMBL48827,6.1
+N=C(N)c1ccc(Oc2cccc(Oc3ccccc3C(=N)N)n2)cc1,CHEMBL51824,5.72
+N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)cc2F)c1,CHEMBL424036,5.92
+N=C(N)c1cccc(Oc2nccc(Oc3cccc(C(=N)N)n3)n2)c1,CHEMBL45732,6.12
+COc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL48965,5.96
+Cc1c(F)c(Nc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F,CHEMBL50909,5.51
+Cc1c(F)c(N(C)c2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL49958,6.44
+N=C(N)c1ccc(Oc2nc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1,CHEMBL49786,5.57
+N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL48199,6.0
+CNC(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL51482,6.08
+N=C(N)c1cccc(Oc2ccc(C(=O)O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL46077,5.66
+N=C(N)c1cccc(Oc2ccc(NC(=O)Nc3ccccc3)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL300622,7.0
+Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F,CHEMBL52205,6.16
+N=C(N)c1cccc(Oc2cc(C(N)=O)cc(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL296532,6.11
+N=C(N)c1cccc(Oc2ccc(N)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL47264,5.89
+N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(Cl)cc2Cl)c1,CHEMBL48864,5.68
+N=C(N)c1cccc(Oc2ccc(C(F)(F)F)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL50714,6.11
+CNC(=O)c1ccc(Oc2cccc(C(=N)N)c2)nc1Oc1cccc(C(=N)N)c1,CHEMBL296530,5.85
+N=C(N)c1cccc(Oc2ccc(NC(=O)NCC(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1,CHEMBL296618,6.55
+CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL107955,7.43
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL72318,5.96
+Cc1nc2c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)nc2n1Cc1ccccc1,CHEMBL72527,6.12
+Cc1nc2c(Oc3cc(C(=N)N)ccc3O)nc(Oc3cccc(C(=O)N(C)C)c3)nc2n1Cc1ccccc1,CHEMBL305809,6.82
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)nc3c2NC(=O)CN3)c1,CHEMBL307989,5.66
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1,CHEMBL73193,6.55
+CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(=N)N)ccc4O)n2)NC(=O)CN3)c1,CHEMBL71175,6.49
+C=C1CC(c2ccc(NC(=N)N)cc2)C(NC(=O)c2ccccc2)C(=O)O1,CHEMBL134927,5.0
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1)C(C1CCCCC1)C1CCCCC1,CHEMBL420334,5.28
+N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1,CHEMBL420540,8.52
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,CHEMBL125181,4.96
+CNC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)[C@H]1CC[C@H](N)CC1,CHEMBL2062141,5.94
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL338788,5.05
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1,CHEMBL123142,5.82
+Nc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cs1,CHEMBL331179,4.25
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1,CHEMBL121982,6.37
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cn1,CHEMBL421437,5.92
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1,CHEMBL122331,6.18
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1,CHEMBL337923,5.6
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)c1)C(C1CCCCC1)C1CCCCC1,CHEMBL421272,4.35
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL122801,4.92
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,CHEMBL122601,5.08
+O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1,CHEMBL331908,4.51
+Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C1CCCCC1)C1CCCCC1,CHEMBL123942,5.52
+Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cn1,CHEMBL96486,5.27
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(c1ccccc1)c1ccccc1,CHEMBL122488,5.89
+N=C(N)c1ccc(OCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL102148,5.53
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)cc1,CHEMBL101067,5.5
+N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101672,5.84
+Cn1ccc2cc(C(=N)N)ccc21,CHEMBL101878,4.07
+CCC(=O)c1cc2ccc(C(=N)N)cc2[nH]1,CHEMBL321960,4.82
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)c(Cl)c1,CHEMBL102141,5.27
+N=C(N)c1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1,CHEMBL100296,5.46
+N=C(N)c1ccc2c(ccn2Cc2cccc(N)c2)c1,CHEMBL319122,4.77
+N=C(N)c1ccc2c(ccn2Cc2ccc([N+](=O)[O-])cc2N)c1,CHEMBL101559,5.27
+N=C(N)c1ccc2[nH]ccc2c1,CHEMBL26490,4.54
+N=C(N)c1ccc(Cn2ccc3ccccc32)cc1,CHEMBL100569,5.34
+N=C(N)c1ccc(OCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101261,5.22
+N=C(N)c1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2)c1,CHEMBL329730,5.11
+N=C(N)c1cccc(Cn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101726,5.08
+N=C(N)c1ccc2c(ccn2Cc2ccccc2)c1,CHEMBL101343,4.81
+N=C(N)c1ccc2c(C=O)c[nH]c2c1,CHEMBL317713,4.59
+N=C(N)c1ccc2nc(Oc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3)[nH]c2c1,CHEMBL102002,5.33
+N=C(N)c1ccc(OCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL103649,5.4
+N=C(N)c1ccc2c(ccn2CCCCn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101027,5.49
+N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL99951,7.77
+N=C(N)N1CCCCC1,CHEMBL103102,6.44
+NS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL327189,7.74
+CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL94787,7.85
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL327601,7.3
+N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL96502,7.6
+CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(C1CCCCC1)C1CCCCC1,CHEMBL444548,7.52
+COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(C1CCCCC1)C1CCCCC1,CHEMBL319996,7.52
+O=C(O)CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC#Cc1cnc[nH]1)C(c1ccccc1)c1ccccc1,CHEMBL330531,7.33
+O=C(NCC#Cc1cnc[nH]1)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL407631,7.62
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1N,CHEMBL7124,4.49
+CNc1ccc(C#CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL415479,4.43
+COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL350499,7.15
+C[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL436235,6.96
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL352099,7.12
+COC[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1,CHEMBL351688,6.72
+N=C(N)c1cccc(-c2noc(N)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL352197,6.93
+N=C(N)c1cccc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,CHEMBL159418,7.04
+N=C(N)c1cccc(-c2noc(CO)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL159757,7.3
+N=C(N)c1cccc(-c2noc(C(F)(F)F)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL351830,6.4
+CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(C(=N)N)c2)cc1,CHEMBL159816,7.6
+N=C(N)c1cccc(C2=NO[C@H](Cn3cnnn3)[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL347838,6.74
+COCc1onc(-c2cccc(C(=N)N)c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cn1,CHEMBL160115,6.7
+N=C(N)c1cccc(-c2nocc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,CHEMBL140072,7.68
+CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1,CHEMBL7967,6.92
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)cc2)C(=O)N(C)C2CCCC2)cc1,CHEMBL310664,5.46
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)c(F)c1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL314189,4.6
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)cc2F)C(=O)N(C)C2CCCC2)cc1,CHEMBL313296,5.4
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)c(F)c1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL83205,4.6
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1F)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL82072,4.96
+CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NN)c(F)c2)C(=O)N(C)C2CCCC2)cc1,CHEMBL312011,4.66
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(N)=NN)cc3)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL312244,5.04
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL82057,5.34
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1F)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1,CHEMBL84454,5.52
+COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(N)=NN)cc3F)C(=O)N(C)C3CCCC3)ccc2c1,CHEMBL79304,5.7
+CNC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL424164,4.09
+N=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL349986,5.06
+NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL347158,5.43
+CCOC(=O)CN1CCC(Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CC1,CHEMBL331690,6.52
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(O[C@H]3CN[C@H](C(=O)O)C3)c2F)c1,CHEMBL332189,6.51
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C(=O)N(C)C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL332388,6.13
+CCOC(=O)CN(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,CHEMBL333266,6.62
+CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C(=N)N)ccc3O)c2F)CN1,CHEMBL331213,6.48
+CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL120438,6.11
+N=C(N)c1ccc(Oc2cccc(Oc3cccc(C(=N)N)c3)n2)cc1,CHEMBL330802,5.72
+CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(OC3CCN(CC(=O)O)CC3)c2F)c1,CHEMBL332322,6.48
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL124042,4.71
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N21,CHEMBL421428,5.1
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N21,CHEMBL120842,5.29
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21,CHEMBL332578,4.88
+N=C(N)NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21,CHEMBL120162,5.45
+N=C(N)NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21,CHEMBL332426,5.27
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,CHEMBL262199,5.47
+N=C(N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21,CHEMBL332587,4.6
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2n1C,CHEMBL256381,6.54
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+N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2)c1,CHEMBL283765,6.01
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+CC(C)C[C@@H](C(=O)O)N(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,CHEMBL606850,5.79
+CN1CCN(CCCN(Cc2ccc3ccc(C(=N)N)cc3c2)C(=O)c2cccc3ccccc23)CC1,CHEMBL371051,6.3
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+CN[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1)C(C)C,CHEMBL176063,8.82
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+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL175464,7.59
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+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C(=N)N)C1)C(=O)c1nc2ccccc2s1,CHEMBL425855,6.27
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1,CHEMBL369868,8.37
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)c1nc2ccccc2s1,CHEMBL176161,7.7
+CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1,CHEMBL180163,5.92
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+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2s1)[C@H]1CC[C@H](CN)CC1,CHEMBL3084979,7.27
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)c1nc2ccccc2s1)C1CCC(CN)CC1,CHEMBL2374242,5.4
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1,CHEMBL179189,4.92
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1,CHEMBL179004,4.92
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1cc2ccccc2s1,CHEMBL180112,5.89
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2[nH]1,CHEMBL414655,7.92
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2n1C,CHEMBL368900,6.54
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2o1,CHEMBL175735,7.89
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+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc(C(=O)O)cs1,CHEMBL177769,8.22
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+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2c(s1)CCCC2,CHEMBL175620,8.36
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc3ccccc3c2s1,CHEMBL361377,7.82
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(OC)cc2s1,CHEMBL176031,8.7
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(O)cc2s1,CHEMBL176660,8.46
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(F)cc2s1,CHEMBL427125,8.82
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(CO)cc2s1,CHEMBL369008,8.28
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(C(N)=O)cc2s1,CHEMBL179245,9.52
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(C(=O)OC)cc2s1,CHEMBL367890,7.51
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccc(C(=O)O)cc2s1,CHEMBL176491,8.57
+CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)c1nc2ccccc2s1)C1CCC(N)CC1,CHEMBL175612,6.48
+CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)c1nc2ccccc2s1)C1CCC(N)CC1,CHEMBL367973,7.06
+Cc1cccc(C(C)(C)CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)C(=O)CCc2ccccc2)c1,CHEMBL360542,7.24
+N=C(N)NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)c1nc2ccccc2s1,CHEMBL176348,8.03
+CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL257898,7.8
+CS(=O)(=O)CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL401737,8.57
+N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc12)C(=O)c1nc2ccccc2s1,CHEMBL361379,8.54
+CN[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL176000,8.52
+CN[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL360751,8.03
+CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL368937,8.41
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL366653,8.62
+CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1,CHEMBL435514,7.51
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diff --git a/chembl_200/CHEMBL3798.csv b/chembl_200/CHEMBL3798.csv
new file mode 100644
index 0000000000000000000000000000000000000000..2af95e154edc1fb88d31bc2b70010ceb25a7ffab
--- /dev/null
+++ b/chembl_200/CHEMBL3798.csv
@@ -0,0 +1,443 @@
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+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CCOC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL238276,9.72
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CCO)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL236590,8.38
+COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O,CHEMBL237662,9.52
+O=C1NC[C@H](c2cccc(F)c2F)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL237661,8.44
+O=C1NC[C@H](c2cccc(F)c2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL391660,7.29
+O=C1NC[C@H](c2ccccc2F)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL239630,7.66
+O=C1NCC(c2cccc(F)c2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL400020,7.03
+O=C1NCC(c2ccccc2F)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL241118,7.43
+O=C1NCC(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL241117,6.21
+CC(C)C1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1,CHEMBL240904,6.33
+Cc1ccc(C2CC[C@@H](NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)C(=O)NC2)cc1,CHEMBL240903,5.96
+COc1ccccc1C1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1,CHEMBL240902,5.77
+O=C1NCC(c2ccsc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL240686,6.33
+O=C1NCC(c2cccnc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL240685,5.0
+O=C1NCC(c2ccccn2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL398779,5.36
+O=C1NCC(c2ccc(O)cc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL238275,6.11
+O=C1NC[C@H](c2ccccc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL429803,7.08
+Cn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL258070,6.3
+O=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL403765,6.77
+O=C(Nc1cc(-c2cccc(F)c2F)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL257252,7.77
+O=C(Nc1cc(-c2cccc(F)c2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL256901,7.38
+O=C(Nc1cc(-c2ccccc2F)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL428247,7.27
+O=C(Nc1cc(-c2ccc(O)cc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL255136,7.02
+O=C(Nc1cc(-c2ccn[nH]2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL402887,6.69
+O=C(Nc1cc(-c2cccnc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL255755,6.2
+O=C(Nc1cc(-c2ccsc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL255967,6.98
+O=C(Nc1cc(-c2ccccc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL255966,7.02
+COCCn1cc(-c2cccc(F)c2F)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL257094,7.39
+COCCn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL270796,7.13
+COCCn1cc(-c2ccn[nH]2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL255998,6.85
+COCCn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL255999,6.16
+COCCn1cc(-c2ccsc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL256813,6.41
+COCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL402844,6.64
+Cn1cc(-c2cccc(F)c2F)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL445069,6.78
+Cn1cc(-c2cccc(F)c2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL258329,6.81
+Cn1cc(-c2ccccc2F)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL257732,6.67
+Cn1cc(-c2ccsc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL257731,7.12
+Cn1cc(C2C=CN=N2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL257902,7.15
+Cn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL403373,6.57
+COc1ccc(-c2cc(NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c(=O)n(C)c2)cc1,CHEMBL256802,6.31
+Cn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL270390,7.37
+Cn1cc(-c2cccc(O)c2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL270175,7.38
+Cn1cc(-c2ccccc2O)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL270392,6.66
+Cn1cc(-c2ccc(S(C)(=O)=O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL409535,5.76
+Cn1cc(C2C=NC=N2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL411896,5.69
+Cn1cc(-c2ncccn2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL258069,5.72
+Cn1cc(-c2ccc(C(=O)O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O,CHEMBL257004,5.05
+O=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1,CHEMBL256203,7.1
+O=C(Nc1ccc(-c2ccccc2)n(CC2CC2)c1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1,CHEMBL402888,5.47
+O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL466555,9.26
+Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12,CHEMBL454791,11.0
+O=C(N[C@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL454751,9.615
+Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12,CHEMBL450668,10.89
+Cc1cc(C)c2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)NC(=O)N3C)c2c1,CHEMBL471358,8.26
+Cc1cccc2c1[nH]c(=O)n2CC(=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)NC(=O)N1C,CHEMBL471359,7.39
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4c(Cl)cccc43)cc1C2,CHEMBL471530,7.89
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4c(F)cccc43)cc1C2,CHEMBL470321,7.49
+COc1cccc2c1[nH]c(=O)n2CC(=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)NC(=O)N1C,CHEMBL471704,7.59
+Cc1ccc2c(c1)[nH]c(=O)n2CC(=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)NC(=O)N1C,CHEMBL471705,7.0
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4cc(Cl)ccc43)cc1C2,CHEMBL471706,7.82
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4cc(F)ccc43)cc1C2,CHEMBL487076,7.74
+COc1ccc2c(c1)[nH]c(=O)n2CC(=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)NC(=O)N1C,CHEMBL519242,7.21
+Cc1ccc2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)NC(=O)N3C)c2c1,CHEMBL487077,7.64
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4ccc(Cl)cc43)cc1C2,CHEMBL487244,8.02
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4ccc(F)cc43)cc1C2,CHEMBL520905,7.82
+COc1ccc2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)NC(=O)N3C)c2c1,CHEMBL488065,6.92
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)[nH]c4cccc(Cl)c43)cc1C2,CHEMBL488066,6.6
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2C,CHEMBL530116,8.57
+COC(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)c2cc(C)cc(C)c21,CHEMBL488082,8.68
+COC(=O)[C@H](C)n1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)c2cc(C)cc(C)c21,CHEMBL488255,7.68
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2CC(N)=O,CHEMBL487068,8.72
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2CC(=O)N(C)C,CHEMBL519421,8.77
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2CC(=O)O,CHEMBL487240,7.59
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2-c1ccccn1,CHEMBL488083,8.37
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(CC(N)=O)c4ccccc43)cc1C2,CHEMBL521076,7.43
+CN(C)C(=O)Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)c2ccccc21,CHEMBL507339,7.66
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(CCC(N)=O)c4ccccc43)cc1C2,CHEMBL509718,7.51
+CN(C)C(=O)CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)c2ccccc21,CHEMBL453865,7.44
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(CCCC(N)=O)c4ccccc43)cc1C2,CHEMBL508016,7.89
+CN(C)C(=O)CCCn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)c2ccccc21,CHEMBL455670,8.02
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)C4)cc1C2,CHEMBL453643,9.29
+CN1C(=O)Cn2c(=O)n(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)NC(=O)N3C)c3cccc1c32,CHEMBL453644,8.15
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)CCC4)cc1C2,CHEMBL455674,8.33
+CN1C(=O)CCCn2c(=O)n(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)NC(=O)N3C)c3cccc1c32,CHEMBL455458,8.66
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)C[C@@]1(C2)NC(=O)NC1=O,CHEMBL465279,6.64
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(CCNC1=O)C2,CHEMBL465280,6.57
+O=C1CC2(Cc3ccc(NC(=O)Cn4c(=O)n(-c5ccccn5)c5ccccc54)cc3C2)C(=O)N1,CHEMBL464263,7.02
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(CCCNC1=O)C2,CHEMBL464264,5.57
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccc2)=NC1=O,CHEMBL518236,7.47
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2cccnc2)=NC1=O,CHEMBL472829,6.89
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)C[C@@]1(C2)NC(C2CC2)=NC1=O,CHEMBL481382,5.59
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ccccc21,CHEMBL515087,6.28
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21,CHEMBL473445,8.43
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(-c4ccncn4)c4ccccc43)cc1C2,CHEMBL482178,7.8
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCSCC4)c4ccccc43)cc1C2,CHEMBL520778,7.89
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)cc1C2,CHEMBL480999,7.46
+Cc1cc2c3c(c1)n(CC(=O)Nc1ccc4c(c1)C[C@]1(C4)C(=O)NC(=O)N1C)c(=O)n3CC(=O)N2,CHEMBL466192,9.465
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL465934,8.64
+O=C(Cn1c(=O)n(-c2ccncn2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL518422,9.21
+O=C(Cn1c(=O)n(C2CCOC2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL463880,8.92
+O=C(Cn1c(=O)n(C2CCSCC2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL464078,9.06
+O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL464079,8.77
+Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)c(=O)n2CC(=O)N(C)C,CHEMBL517467,9.68
+O=C(Cn1c(=O)n2c3c(cccc31)NC(=O)C2)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL512773,10.403
+O=C(Cn1cc2c3c(cccc31)NC(=O)C2)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL562069,9.92
+CN1C(=O)Cc2cn(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)Nc4ncccc43)c3cccc1c23,CHEMBL563727,8.85
+CN1C(=O)C[C@@H]2CN(CC(=O)Nc3ccc4c(c3)C[C@]3(C4)C(=O)Nc4ncccc43)c3cccc1c32,CHEMBL556703,8.01
+CC12CC(=O)Nc3cccc(c31)N(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)C2,CHEMBL564487,9.55
+O=C(CN1CC2CCC(=O)Nc3cccc1c32)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL549503,8.96
+O=C(CN1CC2CCCC(=O)Nc3cccc1c32)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21,CHEMBL564466,8.66
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(c2ccc[nH]c2=O)CC1,CHEMBL583547,7.0
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(c2ccn[nH]c2=O)CC1,CHEMBL570793,8.0
+Cc1cc(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c(=O)[nH]n1,CHEMBL570748,8.18
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(c2cc(-c3ccccc3)n[nH]c2=O)CC1,CHEMBL570626,6.62
+O=C1NC(=O)C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)N1,CHEMBL577957,7.34
+CN1C(=O)NC(=O)C12CCN(C(=O)N[C@@H]1CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C1=O)CC2,CHEMBL585017,6.29
+O=C1NC(=O)C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)O1,CHEMBL571236,5.05
+O=C1CC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)C(=O)N1,CHEMBL572114,7.39
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CCNC2=O)CC1,CHEMBL571185,6.85
+O=C1CCC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)C(=O)N1,CHEMBL571861,6.47
+O=C1CC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)CC(=O)N1,CHEMBL570527,6.41
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)NC(c1ccccc1)=NC2=O,CHEMBL577110,7.52
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)CC(c1ccccc1)NC2=O,CHEMBL577320,6.42
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)Cc1ccccc1NC2=O,CHEMBL584311,5.9
+O=C1Nc2ccccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)O1,CHEMBL571459,7.34
+O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)O1,CHEMBL570746,8.96
+O=C1CC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c2cccnc2N1,CHEMBL570531,8.46
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL571203,8.77
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3c2ccc[n+]3[O-])CC1,CHEMBL570860,7.18
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(O)CC1,CHEMBL570750,5.3
+CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc1C2,CHEMBL571823,8.72
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccccc3F)C(=O)C(C)(C)C)cc1C2,CHEMBL571350,7.85
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3cccc(F)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL571580,8.8
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc1C2,CHEMBL570488,8.43
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3cccc(Cl)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL568920,8.74
+Cc1cccc(CN(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)NC(=O)N2C)C(=O)C(C)(C)C)c1,CHEMBL568921,8.1
+COc1cccc(CN(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)NC(=O)N2C)C(=O)C(C)(C)C)c1,CHEMBL571137,7.35
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3cccc(C#N)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL572225,7.64
+CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(C)(C)C)cc1C2,CHEMBL577304,7.6
+CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL569340,9.26
+CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(Cl)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL571797,8.92
+CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(Cl)cc(Cl)c3)C(=O)C(C)(C)C)cc1C2,CHEMBL569588,8.36
+C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C,CHEMBL568880,7.25
+C[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C,CHEMBL583679,9.08
+C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C,CHEMBL570474,9.59
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+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc1C2,CHEMBL577737,6.1
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+COc1ccc(-c2ccccc2)cc1CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL602075,5.6
+O=C(Cc1nnc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL604539,6.7
+O=C(Cc1nnc(-c2ccccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL601657,6.3
+O=C(Cc1nnc(-c2cccc(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600620,6.5
+O=C(Cc1nnc(-c2ccc(Cl)cc2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600820,6.0
+O=C(Cc1nnc(-c2cccc(Cl)c2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL603098,6.8
+O=C(Cc1nnc(-c2cc(Cl)ccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600010,6.9
+O=C(Cc1nnc(-c2c(Cl)cccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600011,6.1
+O=C(Cc1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL602492,6.6
+O=C(Cc1nnc(-c2cc(Cl)cc(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL602085,7.8
+O=C(Cc1nnc(-c2cc(F)cc(F)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL604955,6.9
+Cc1cc(C)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1,CHEMBL602086,7.6
+O=C(Cc1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL601455,7.6
+COc1cc(OC)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1,CHEMBL601033,7.3
+O=C(Cc1nnc(-c2cc(F)cc(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL601034,7.6
+O=C(Cc1nnc(-c2cc(Cl)cc(Br)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL601246,7.9
+O=C(Cc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600636,8.4
+COc1cc(Cl)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1,CHEMBL604949,8.1
+O=C(Cc1nnc(-c2cc(Cl)cc(-c3ccccc3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL600836,8.6
+Cc1cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)cc(N2CCOCC2)c1,CHEMBL609472,8.2
+O=C(Cc1nnc(-c2cc(-c3ccccc3)cc(N3CCOCC3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL592406,6.7
+CN(C)CCOc1cc(Cl)cc(-c2nnc(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)o2)c1,CHEMBL602475,7.85
+CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(-c4ccccn4)c4ccccc43)c(F)c1C2,CHEMBL1093189,7.26
+CN1C(=O)NC(=O)[C@]12Cc1cc(F)c(NC(=O)Cn3c(=O)n(-c4ccccn4)c4ccccc43)cc1C2,CHEMBL1089496,6.14
+CN1C(=O)NC(=O)[C@@]12Cc1cc3nc(Cn4c(=O)n(-c5ccccn5)c5ccccc54)oc3cc1C2,CHEMBL1088906,5.22
+CN1C(=O)NC(=O)C12Cc1cc3ncc(Cn4c(=O)n(-c5ccccn5)c5ccccc54)nc3cc1C2,CHEMBL1089207,6.73
+CN1C(=O)NC(=O)[C@]12Cc1cc3ccc(Cn4c(=O)n(-c5ccccn5)c5ccccc54)nc3cc1C2,CHEMBL1091903,7.77
+CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C(=O)CCc5ccccc54)nc3cc1C2,CHEMBL1090846,8.05
+O=C1CCc2ccccc2N1Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)C(=O)Nc2ncccc21,CHEMBL1090847,8.85
+CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(Cn4c(=O)n5c6c(cccc64)NC(=O)C5)nc3cc1C2,CHEMBL1090848,9.52
+O=C1Cn2c(=O)n(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1,CHEMBL1092882,10.64
+CN1C(=O)Cn2c(=O)n(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)NC(=O)N3C)c3cccc1c32,CHEMBL1092883,8.52
+CN1C(=O)Cn2c(=O)n(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc1c32,CHEMBL1090515,9.39
+CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5CC(=O)Nc6cccc4c65)nc3cc1C2,CHEMBL1090841,8.82
+O=C1CC2CN(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1,CHEMBL1092837,9.26
+CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c65)nc3cc1C2,CHEMBL1092838,9.28
+CC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)Nc3ncccc31)C2,CHEMBL1089433,9.92
+CCC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)NC(=O)N1C)C2,CHEMBL1089772,8.89
+CCC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)Nc3ncccc31)C2,CHEMBL1092208,10.14
+CN1C(=O)NC(=O)C12Cc1cc3ccc(CN(Cc4ccccc4)C(=O)C(C)(C)C)nc3cc1C2,CHEMBL1269977,8.66
+CN1C(=O)NC(=O)C12Cc1cc3cc(CN(Cc4ccccc4)C(=O)C(C)(C)C)cnc3cc1C2,CHEMBL1269978,7.46
+CN1C(=O)NC(=O)[C@]12Cc1cc3cc(CN(Cc4ccccc4)C(=O)C(C)(C)C)cnc3cc1C2,CHEMBL1270087,7.92
+CC(C)(C)C(=O)N(Cc1ccccc1)Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21,CHEMBL1270088,8.89
+CC(C)(C)C(=O)N(Cc1cc(F)cc(F)c1)Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21,CHEMBL1270197,9.16
+C[C@H](c1ccccc1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C,CHEMBL1270291,10.0
+C[C@H](c1cc(F)cc(F)c1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C,CHEMBL1270391,9.92
+CC(C)(C)C(=O)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21,CHEMBL1269644,10.43
+CC(C)(C)C(=O)N(Cc1ccc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21,CHEMBL1269645,9.96
+CC(C)(C)C(=O)N(Cc1cnc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21,CHEMBL1269646,9.82
+CC1(C)CC[C@@H](c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C1=O,CHEMBL1270484,9.52
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(C3CC3)nnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770556,9.0
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770557,9.85
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2ccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770558,8.51
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2cc(CC(F)(F)F)nc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770559,8.41
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2cc(CO)nc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770560,8.49
+Cc1cn2c(n1)[C@H](NC(=O)N1CCC(n3c(=O)[nH]c4ncccc43)CC1)CC[C@@H](c1cccc(F)c1F)C2,CHEMBL1770561,8.4
+Cc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770562,8.66
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CO)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770563,8.6
+CNCCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770564,8.24
+CN(C)C(=O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770565,8.55
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(-c3ccccc3)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770566,8.96
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(-c3nccs3)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770567,8.96
+CC(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770568,9.16
+COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770714,9.42
+COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL1770715,10.4
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL1770716,9.21
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(C3(C(F)(F)F)CC3)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL1770717,9.2
+COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL1770718,9.21
+COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL1770719,9.4
+O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)cnc43)CC2)O1,CHEMBL1770720,10.15
+O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)nnc21)N1CCC2(CC1)C(=O)Nc1ncccc12,CHEMBL1770721,9.32
+O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)O1,CHEMBL1770722,9.72
+COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770723,9.85
+COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770724,10.3
+CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770725,9.54
+CCOC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770726,10.3
+CC(C)(OCC(F)(F)F)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770727,9.8
+CCC(CC)(OC)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12,CHEMBL1770728,10.41
+CC1(c2cnc3n2C[C@H](c2cccc(F)c2F)CC[C@H]3NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)CCCO1,CHEMBL1770729,10.44
+Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C(=O)N(C)C)cc(Cl)n2)cc2c[nH]nc12,CHEMBL2023188,8.48
+Cc1cc(CC(OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c2cc(C(=O)N(C)C)cc(Cl)n2)cc2c[nH]nc12,CHEMBL2023191,9.945
+C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21,CHEMBL2035983,10.28
+NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,CHEMBL207197,10.94
+CC(C)C[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1,CHEMBL2059786,5.62
+O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059787,6.52
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+O=C(N[C@H](Cc1ccc2n[nH]nc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2059878,9.26
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+O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CHEMBL2059880,9.26
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+O=C(O[C@@H]1CC[C@H](c2cccc(F)c2F)[C@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL2178421,9.17
+N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F,CHEMBL2178422,10.57
+O=C(O[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,CHEMBL2178423,8.37
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+O=C(N[C@H](Cc1cc2oc(=O)[nH]c2cc1Br)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2336412,9.85
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+N#Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[nH]c12,CHEMBL2336414,7.96
+O=C(N[C@H](Cc1cc(I)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2336415,10.26
+O=C(N[C@H](Cc1cc(Br)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2336416,10.64
+O=C(N[C@H](Cc1cc(Cl)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2336417,10.41
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+CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)[nH]nc12,CHEMBL2336419,10.32
+CC(C)c1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12,CHEMBL2336420,9.66
+O=C(NC(Cc1cc(Cl)c2n[nH]cc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL2336422,10.96
+Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12,CHEMBL2336423,7.57
+Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12,CHEMBL2336424,10.92
+Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2c[nH]nc12,CHEMBL2397415,10.64
+O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21,CHEMBL1910936,10.68
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431248,10.34
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC#Cc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431246,10.72
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC#Cc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2429882,9.96
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431253,10.68
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431252,10.03
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431251,10.35
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431250,9.3
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL2431249,10.77
+C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21,CHEMBL2035981,10.4
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C,CHEMBL2431247,10.25
+CN1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C,CHEMBL2431256,10.66
+CC1(C)NC[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O,CHEMBL2431255,9.96
+CC1(C)NC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O,CHEMBL2431254,10.47
+CN1CCN(c2ccccc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114488,8.7
+CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@H]1c1cccc(F)c1N1CCN(C(C)(C)C)CC1,CHEMBL3114677,9.0
+CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1cccc(F)c1N1CCN(C(C)(C)C)CC1,CHEMBL3114676,10.52
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)SC1c1cccc(F)c1N1CCN(C(C)(C)C)CC1,CHEMBL3114496,10.0
+CC(C)N1CCN(c2c(F)cccc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114495,10.7
+CCN1CCN(c2c(F)cccc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114494,10.15
+CN1CCN(c2cccc(F)c2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114493,9.0
+CN1CCN(c2ccc(F)cc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114492,7.85
+CN1CCN(c2cc(F)ccc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114491,7.85
+CN1CCN(c2c(F)cccc2C2SC(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114490,9.3
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCNCC1,CHEMBL3114489,9.0
+CN1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114487,5.74
+CN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114486,9.05
+CN1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114485,8.0
+CN1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114484,8.7
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCN(CCO)CC1,CHEMBL3114483,8.1
+CCCCN1CCN(c2ccccc2C2SC(CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114482,8.52
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1-c1ccncc1,CHEMBL3114481,7.7
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1-c1cccnc1,CHEMBL3114480,7.66
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1-n1cccn1,CHEMBL3114479,7.4
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1-n1ccnc1,CHEMBL3114478,8.15
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCC(O)CC1,CHEMBL3114477,7.74
+CN1CCN(c2ccccc2C2SC(CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1,CHEMBL3114476,8.7
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCOCC1,CHEMBL3114475,7.28
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCNCC1,CHEMBL3114474,8.7
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1c(F)cccc1F,CHEMBL3114473,7.23
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccc(F)cc1F,CHEMBL3114472,7.52
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1cccc(F)c1F,CHEMBL3114471,6.93
+CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1F,CHEMBL3114470,7.27
+O=C(CC1SC(c2ccccc2)N(CCc2ccccn2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114469,6.69
+O=C(CC1SC(c2ccccc2)N(Cc2cccnc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114468,6.59
+O=C(CC1SC(c2ccccc2)N(Cc2ccc(F)cc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114467,7.25
+O=C(CC1SC(c2ccccc2)N(c2ccccc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114466,6.09
+CC(C)(C)CN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114465,8.05
+O=C(CC1SC(c2ccccc2)N(CC2CCCO2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114464,7.17
+O=C(CC1SC(c2ccccc2)N(C2CCCCC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114463,7.06
+CC(c1ccccc1)N1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114462,6.53
+CCN(CC)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114461,6.52
+COCCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114460,6.91
+O=C(CC1SC(c2ccccc2)N(CC(F)(F)F)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114459,6.12
+CC(C)(C)N1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114458,5.73
+CC(C)CN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114457,7.49
+CCCCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114456,7.19
+O=C(CC1SC(c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114455,7.35
+O=C(CC1SC(c2ccccc2)N(C2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114454,6.06
+CC(C)N1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114681,6.94
+CN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114680,6.69
+CC(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1,CHEMBL3114679,7.49
+CC(C)CCN(Cc1cc(Br)c(O)c(Br)c1)C(=O)CCC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1,CHEMBL3114678,6.55
+Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCOCC3)CC2)cc(C)c1O,CHEMBL3334624,9.52
+CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C2(CCCc3ccccc32)C1=O,CHEMBL3645137,10.24
+CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C2(CCCCCC2)C1=O,CHEMBL3645138,9.47
+O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CNC12CCCC2,CHEMBL3645139,9.85
+O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCC12CCCC2,CHEMBL3645140,9.11
+O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(c2ccccc2Cl)=NC12CCCC2,CHEMBL3645141,8.89
+CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(C)(c2ccccc2)C1=O,CHEMBL3645142,9.55
+CN1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(=O)C12CCCC2,CHEMBL3645143,10.21
+O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCNC12CCCC2,CHEMBL3645144,9.31
+O=C1N(Cc2ccc3nc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCNC12CCCC2,CHEMBL3645145,9.05
+O=C1NCCN(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C1c1ccc(F)cc1,CHEMBL3645146,7.24
+C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)CCl,CHEMBL3648344,10.19
+C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)CF,CHEMBL3648345,10.39
+C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C,CHEMBL3648346,9.37
+C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1,CHEMBL3099925,10.3
+Cc1ccc([C@@H](C)N(C/C=C/c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)cc1F,CHEMBL3099923,9.89
+O=C(Cn1c(=O)n(-c2nccs2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2ccccc2)=NC1=O,CHEMBL3655563,7.6
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2ccccn2)=NC1=O,CHEMBL3655564,6.24
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(C2CC2)=NC1=O,CHEMBL3655565,5.59
+CCCC1=NC(=O)C2(Cc3ccc(NC(=O)Cn4c(=O)n(-c5ccccn5)c5ccccc54)cc3C2)N1,CHEMBL3655566,5.19
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2cnccn2)=NC1=O,CHEMBL3655567,6.2
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2ccccc2)=NC1=O,CHEMBL3655568,7.46
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2cccnc2)=NC1=O,CHEMBL3655569,6.89
+O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(c2ccncc2)=NC1=O,CHEMBL3655570,6.8
+C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)CC1(C2)NC(c2ccccc2)=NC1=O,CHEMBL3655572,8.8
diff --git a/chembl_200/CHEMBL3836.csv b/chembl_200/CHEMBL3836.csv
new file mode 100644
index 0000000000000000000000000000000000000000..41086f0f6b69aac279aa876f98b6bd4e340b0e8d
--- /dev/null
+++ b/chembl_200/CHEMBL3836.csv
@@ -0,0 +1,346 @@
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.1
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,5.7
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,6.6
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.4
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,5.9
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.7
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.3
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.7
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.6
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.6
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.9
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,5.4
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.2
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.3
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.6
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.4
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.5
+Cc1ccccc1-c1cccc2nccn12,CHEMBL1980003,4.1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.6
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,5.0
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.2
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.5
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.1
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.2
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,6.7
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,6.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,5.6
+Nc1ncnc2nc3ccccc3n12,CHEMBL1983884,4.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,5.8
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.5
+Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1,CHEMBL550275,6.2
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,5.1
+Cc1nn(C)c(C)c2cc([N+](=O)[O-])cc1-2,CHEMBL1999632,5.7
+COc1cc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc(OC)c1OC,CHEMBL1982993,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,6.9
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,5.5
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.0
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.7
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.6
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.0
+Clc1ccc2c(c1)NC1(CCCCC1)N2,CHEMBL1971150,5.7
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.3
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.8
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,5.7
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.9
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.6
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.7
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.4
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.2
+CCN(CC)CCNc1ccc(O)c2ccccc12,CHEMBL576113,6.1
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.8
+CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(=O)NCCO)cc2)n1,CHEMBL2006149,6.3
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,5.6
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.0
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.4
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.3
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.5
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.9
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.6
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.1
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,5.5
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.6
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,4.6
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,6.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.9
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.6
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.8
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.3
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.1
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,5.2
+Cn1c(N)nc2sc(C(N)=O)cc21,CHEMBL2002802,4.1
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.9
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.9
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.3
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,5.5
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,5.7
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.5
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.3
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.3
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,7.0
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.4
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.9
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.4
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.3
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,5.9
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.1
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.0
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.1
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,5.3
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,5.9
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.8
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.9
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.7
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,5.8
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.5
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.3
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,7.0
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.8
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,6.1
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.1
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.9
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,7.1
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.4
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.9
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.7
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.1
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.5
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,5.1
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.1
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,5.5
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.6
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.2
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.5
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.4
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,5.9
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.0
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,5.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.7
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,5.6
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.7
+c1ccc(-c2ncc3ccccn23)cc1,CHEMBL1380050,5.0
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,7.2
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1,CHEMBL1973348,5.7
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,6.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.9
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,5.5
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.3
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.1
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.4
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,6.0
+O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1,CHEMBL2005352,5.5
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.9
+CN(C)c1ccc(N)c2ccccc12,CHEMBL1998253,6.3
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.1
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.4
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.1
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,6.5
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.6
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.0
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,5.3
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.0
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.4
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.9
+CC(C)COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1984842,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,6.3
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.8
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.7
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.8
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL2005792,6.0
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.8
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.9
+Clc1ccc2c(c1)nnc1nnnn12,CHEMBL1986503,5.8
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.2
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,7.5
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.8
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.6
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.8
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,8.0
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.8
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.4
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.1
+Nc1nnc2cccc(Cl)n12,CHEMBL1966799,4.2
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,7.5
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.5
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,5.5
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,6.1
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.3
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,5.6
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.7
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.1
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.1
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.1
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.5
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.9
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.2
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,6.2
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.8
+Nc1ncnc2sccc12,CHEMBL1972934,5.4
+C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,CHEMBL1983573,4.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,5.5
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.2
+CCc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1,CHEMBL1984869,5.5
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,5.7
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.5
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.0
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.0
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.2
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.4
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.0
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,5.8
+O=C(O)c1cnc2sccn2c1=O,CHEMBL1971679,4.3
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.1
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.7
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.7
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.6
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.1
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.9
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.8
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,6.9
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.3
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.0
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,5.6
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.8
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.5
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,6.0
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.2
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.1
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.3
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.0
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.2
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.0
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,5.5
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.0
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.0
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.2
+CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825138,7.0
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.8
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.9
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.5
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.0
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.3
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,5.4
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.5
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,6.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.7
+CS(=O)(=O)Nc1ccc(Nc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1988872,6.3
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.8
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1987648,6.7
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,5.3
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.4
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.1
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.9
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,5.7
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,5.0
+COc1ccccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL2006771,5.6
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.1
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.5
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.6
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,5.3
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,5.1
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,6.5
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.1
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.1
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.3
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.7
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,5.7
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.8
+NC(=O)c1csc2c1NCCC2=O,CHEMBL1973399,4.1
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,5.1
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.7
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.0
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,5.8
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.7
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.1
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.3
+O=c1[nH][nH]c2cccc(-c3ccccc3)c12,CHEMBL1989834,5.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,6.1
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.6
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.0
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,5.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,7.6
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.0
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.1
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.5
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.7
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,6.1
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.2
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,6.1
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.2
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.9
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,5.0
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,5.3
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.9
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,5.8
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.8
+O=S(=O)(Nc1ccc2ccccc2c1O)c1ccc(F)cc1,CHEMBL1968025,5.6
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,5.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.8
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.7
+O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(Br)c1c2=O,CHEMBL1976158,6.2
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.5
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,7.5
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.5
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.3
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.7
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.5
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.0
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.4
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.0
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.71
diff --git a/chembl_200/CHEMBL3837.csv b/chembl_200/CHEMBL3837.csv
new file mode 100644
index 0000000000000000000000000000000000000000..84321a15e898953f9a8fc3176a24d400e66f7d58
--- /dev/null
+++ b/chembl_200/CHEMBL3837.csv
@@ -0,0 +1,534 @@
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1,CHEMBL184514,5.33
+CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL99195,8.89
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)C=O,CHEMBL51128,7.05
+CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1,CHEMBL48837,9.22
+CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C=O,CHEMBL48605,6.01
+CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL98540,7.09
+CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL99561,5.52
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1,CHEMBL100428,5.2
+CCC(C)[C@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97402,6.1
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97493,6.19
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(CN)cc1)C(C)CC)C(=O)CO,CHEMBL96987,6.89
+COCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL100095,4.65
+CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL100482,7.77
+CCOCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL327290,4.78
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(C)CC)C(=O)CO,CHEMBL99288,6.12
+CC(C)N1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL100017,6.22
+COCCN1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL100895,6.06
+CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1,CHEMBL321974,6.84
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL316864,7.72
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,CHEMBL100563,7.41
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(Cc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL419727,6.42
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL100702,7.03
+CC(C)CN1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL105708,6.52
+CCCN1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL101306,6.63
+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCc1ccccc1,CHEMBL3143389,6.68
+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1,CHEMBL3143397,6.57
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL3143399,7.35
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1,CHEMBL3143404,7.8
+N=C(N)NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3143391,6.96
+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSC)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1,CHEMBL3143401,6.62
+CSC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371032,6.03
+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL3143407,5.18
+N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1,CHEMBL3143398,5.41
+CCC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL3143396,6.31
+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL3143395,6.7
+N=C(N)NCCC[C@@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3143392,4.13
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1,CHEMBL3143405,7.17
+CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1,CHEMBL3143408,6.68
+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL3143406,7.72
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1,CHEMBL3143402,6.57
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1,CHEMBL3143403,6.8
+N=C(N)NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL3143390,7.68
+N=C(N)NCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O,CHEMBL3143410,4.42
+CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL161817,8.82
+CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1,CHEMBL161038,8.02
+CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL161651,8.77
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1,CHEMBL162474,8.33
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL160000,8.1
+CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL352168,7.36
+CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL436227,7.54
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1,CHEMBL347459,7.54
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1,CHEMBL103238,8.55
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(-c2ccccc2)cc1)Cc1ccccc1,CHEMBL171998,7.49
+CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL354439,8.7
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)C1CCCN1C(=O)OCc1ccccc1,CHEMBL170962,5.11
+O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169560,9.0
+O=C(N[C@H](CC1C=Nc2ccccc21)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL354132,9.0
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL341014,7.7
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(N2CCCCC2)cc1)Cc1ccccc1,CHEMBL353725,8.7
+O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169448,9.0
+CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL172456,7.44
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1,CHEMBL423447,6.64
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(N2CCOCC2)cc1)Cc1ccccc1,CHEMBL170242,8.7
+O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169708,8.05
+C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL353633,5.39
+CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL171403,9.0
+O=C(NC1(C(=O)N[C@@H]2C(=O)N[C@@H]2Oc2ccccc2)CCCCC1)OCc1ccccc1,CHEMBL64245,4.8
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL292513,7.06
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL64098,5.43
+O=C(NC1(C(=O)N[C@@H]2C(=O)N[C@H]2Oc2ccccc2)CCCCC1)OCc1ccccc1,CHEMBL64612,5.47
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1,CHEMBL62655,5.17
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1=O,CHEMBL119219,7.26
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,CHEMBL118449,7.8
+CC(C)C[C@@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)C1)NC(=O)OCc1ccccc1,CHEMBL119285,6.92
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1,CHEMBL57836,6.15
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL281540,6.47
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O,CHEMBL162631,6.07
+CC(C)C[C@@H](C(=O)NC1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O)N(C)C(=O)OCc1ccccc1,CHEMBL423995,7.31
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O,CHEMBL61805,5.59
+COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL301683,6.29
+CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O,CHEMBL62239,6.6
+CC(=O)N1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1,CHEMBL349445,6.24
+CN[C@@H](CC(C)C)C(=O)N1CC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1,CHEMBL2371402,6.4
+CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1,CHEMBL3142832,6.14
+O=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)NN1CCOCC1,CHEMBL3142835,6.0
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+NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1ccc2ccccc2c1,CHEMBL280587,5.21
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+COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(-n3cncn3)cc2)cc1,CHEMBL196673,6.52
+COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1,CHEMBL194405,6.75
+COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(c3ncc(Br)cn3)CC2)cc1,CHEMBL199134,5.1
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+COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(-c3ccccc3)c2C)cc1,CHEMBL372642,6.5
+CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL426819,5.22
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2)CCCCC1,CHEMBL371133,5.1
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+CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL196023,8.09
+CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL382286,8.85
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1,CHEMBL407633,8.77
+O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1,CHEMBL194861,9.24
+O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cccc2ccccc12,CHEMBL194643,9.37
+CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1cc2ccccc2[nH]1,CHEMBL197958,9.06
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N,CHEMBL200374,6.15
+N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL344174,6.64
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N,CHEMBL381191,6.37
+CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N,CHEMBL383781,6.54
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL200161,5.55
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL200531,4.43
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1,CHEMBL200954,7.27
+CC(O)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL371059,4.85
+CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL382971,4.6
+CC(C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N)C(F)(F)F,CHEMBL372977,4.66
+CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL200529,4.64
+N#CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,CHEMBL200775,4.06
+N#CCNC(=O)C1(NC(=O)c2cccc(Br)c2)CCCCC1,CHEMBL200482,5.1
+N#CCNC(=O)C1(NC(=O)c2cccc(-c3ccccc3)c2)CCCCC1,CHEMBL200289,4.66
+N#CCNC(=O)C1(NC(=O)c2ccc(N)cc2)CCCCC1,CHEMBL200203,4.35
+N#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1,CHEMBL200301,4.3
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)cc2)CCCCC1,CHEMBL370786,4.77
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)s2)CCCCC1,CHEMBL200167,5.23
+CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL199488,4.15
+C#Cc1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1,CHEMBL200599,4.74
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccccc3)cc2)CCCCC1,CHEMBL200619,4.64
+CN(C)c1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1,CHEMBL198859,4.32
+CN(C)c1ccc(-c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)cc1,CHEMBL383186,5.49
+CN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL440035,5.02
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(OC4CCN(CCO)CC4)cc3)cc2)CCCCC1,CHEMBL372410,5.04
+CN1CCC(N(C)c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)C1,CHEMBL381190,5.7
+CN1CCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL200426,5.25
+CC(C)(C)N1CCN(c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL200672,4.96
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2)CCCCC1,CHEMBL370165,6.37
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(C4(F)CCNCC4)cc3)cc2)CCCCC1,CHEMBL200788,6.05
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC(F)(F)F)CC4)cc3)cc2)CCCCC1,CHEMBL197440,6.27
+CN1CCCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)C1,CHEMBL435913,5.64
+COCCN1CCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL199214,5.92
+CN1CCC[C@H]1COc1ccc(-c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)cc1,CHEMBL198802,5.4
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(-c4ccno4)cc3)cc2)CCCCC1,CHEMBL199014,6.38
+CC(C)(C)NC1CCN(c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL199163,5.8
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(CN4CCOCC4)n3)cc2)CCCCC1,CHEMBL381026,5.66
+CN(C)C1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)C1,CHEMBL199470,4.92
+CN1CCC(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200455,4.82
+CN1CCN(Cc2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200506,4.72
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CC[C@@H](N)C4)n3)cc2)CCCCC1,CHEMBL200507,5.12
+CN1CCC(C)(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200166,5.12
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(OC4CCNCC4)n3)cc2)CCCCC1,CHEMBL200744,4.96
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCOCC4)n3)cc2)CCCCC1,CHEMBL199358,4.13
+CC(C)NC1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200287,4.92
+CN1CCN(N(C)c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL414669,5.05
+CC(C)N(C)C1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200596,4.82
+COCCN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200602,5.19
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)cc2)CCCCC1,CHEMBL200494,4.8
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCCCC5)CC4)n3)cc2)CCCCC1,CHEMBL198798,5.06
+CC(C)(C)N1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200708,5.06
+CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1)N1CCCCC1,CHEMBL198858,5.19
+CCOC(=O)[C@H]1[C@H](C(=O)OCC)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1,CHEMBL197012,5.32
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL202991,8.41
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL203224,8.35
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL377713,8.1
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL203665,10.17
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL440574,8.0
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL205068,6.82
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL205172,9.2
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL438435,6.8
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C,CHEMBL203556,7.35
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C,CHEMBL204169,7.28
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C,CHEMBL203845,8.38
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C,CHEMBL202668,10.4
+CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1cccc(OC)c1,CHEMBL383469,5.76
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)CN2CCc3cc(F)ccc32)c1,CHEMBL381388,5.47
+COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CCN2CCOCC2)CN2CCc3cc(F)ccc32)c1,CHEMBL203052,8.3
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+COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN2CCc3cc(F)ccc32)c1,CHEMBL202747,7.72
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+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1,CHEMBL203480,7.96
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(Cl)ccc32)c1,CHEMBL379230,7.77
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1,CHEMBL205835,7.06
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(F)cc2)c1,CHEMBL205196,7.21
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(Cl)cc2)c1,CHEMBL379901,7.04
+Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(OC(F)(F)F)cc2)c1,CHEMBL206050,6.92
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+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1,CHEMBL203165,5.55
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL381186,6.91
+C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL381940,5.33
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+C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL380832,6.7
+C[C@@H](CNc1ccc(S(C)(=O)=O)cc1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1,CHEMBL205709,6.97
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+O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2ccc(F)cc2o1,CHEMBL439688,5.04
+O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cc(F)ccc2o1,CHEMBL206934,5.08
+CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(-c2cccs2)o1,CHEMBL210315,4.2
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccccc2)o1,CHEMBL211050,4.72
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(OC)c2)o1,CHEMBL376994,5.12
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(OC)cc2)o1,CHEMBL210198,4.43
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+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL208566,5.85
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1,CHEMBL209181,5.0
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)C)o1,CHEMBL210535,5.34
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(CC)o1,CHEMBL405602,6.52
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(OC)o1,CHEMBL379622,6.8
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccs2)o1,CHEMBL209114,5.54
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209215,6.0
+CCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209216,4.74
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL379157,5.54
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209293,6.02
+CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210712,4.0
+CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210759,4.55
+CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210702,4.85
+CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210625,5.68
+CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL207347,9.0
+CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL378899,5.89
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C)CC4)n3)c2)c1,CHEMBL213930,6.41
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)c1,CHEMBL212907,6.72
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)c1,CHEMBL211737,5.6
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C(C)(C)C)CC4)n3)c2)c1,CHEMBL212879,6.44
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(CN4CCNCC4)n3)c2)c1,CHEMBL213194,6.17
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCC(N(C)C)C4)n3)c2)c1,CHEMBL213244,6.27
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL383968,5.01
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214982,5.22
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL386351,5.26
+O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1,CHEMBL214591,4.75
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL385912,5.3
+C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL384856,6.09
+C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL386664,5.97
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL213610,6.29
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1,CHEMBL215218,5.93
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1,CHEMBL385534,5.59
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1,CHEMBL215599,4.84
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215378,5.68
+CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL379079,8.4
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL212703,8.22
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1,CHEMBL212176,7.12
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1,CHEMBL212892,6.63
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@@H]1CCOC1,CHEMBL212287,5.59
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCOC1,CHEMBL425636,6.23
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOC1,CHEMBL216514,5.32
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1,CHEMBL214897,6.48
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1,CHEMBL214654,6.24
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)C1CCOC1,CHEMBL386293,5.1
+O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1,CHEMBL215403,5.51
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccoc1,CHEMBL215402,6.04
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccco1,CHEMBL217496,5.94
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1,CHEMBL386383,7.35
+O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(F)c2)o1,CHEMBL214905,5.39
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,CHEMBL215869,6.9
+O=CCOc1ccccc1-c1ccc(F)c(F)c1F,CHEMBL387619,5.81
+CCCc1ccc(-c2ccccc2OCC=O)c(F)c1F,CHEMBL390726,5.28
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1,CHEMBL391094,4.94
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL240831,4.94
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241491,4.32
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1,CHEMBL241489,5.4
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241311,6.71
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL241309,6.43
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1,CHEMBL240235,6.23
+C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1,CHEMBL238964,5.05
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1,CHEMBL241274,5.64
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1,CHEMBL392972,6.11
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL392302,5.57
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1,CHEMBL241096,5.05
+CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240017,5.82
+CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL241467,7.01
+O=C(N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL439204,5.45
+O=C(N[C@@H](CCc1ccccc1)CNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239580,6.2
+CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL428390,6.71
+CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL240443,6.55
+CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239786,6.57
+C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1,CHEMBL239784,4.72
+CCS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL403991,4.87
+COc1ccc(S(=O)(=O)/C=C/CNC(=O)CN2C(=O)C(COC(=O)Nc3ccc(Cl)cc3C(F)(F)F)N=C(c3ccccc3)c3ccccc32)cc1,CHEMBL271992,4.85
+O=C(CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21)NC/C=C/S(=O)(=O)c1ccccc1,CHEMBL408071,4.66
+O=C(CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL402455,5.15
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1,CHEMBL446718,6.66
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(C(C)(C)C)ccc2o1,CHEMBL257692,7.15
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1,CHEMBL270792,7.52
+CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL271004,9.0
+CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272374,4.85
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL411498,4.55
+CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272375,4.0
+N=C(N)NCCC[C@@H](NC(=O)C(CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL437233,7.35
+CSCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL407017,7.72
+CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL407016,6.34
+N=C(N)NCCC[C@@H](NC(=O)C(CC(=O)O)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL1162208,4.24
+N=C(N)NCCC[C@@H](NC(=O)C(CN)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL1162207,4.97
+CCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL407062,5.22
+N=C(N)NCCC[C@@H](NC(=O)C(CCCCNC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL407515,6.29
+COc1ccc(CSCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1,CHEMBL407547,6.33
+N=C(N)NCCC[C@@H](NC(=O)C(CSCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL270285,7.62
+N=C(N)NCCC[C@@H](NC(=O)C(CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL272370,7.68
+N=C(N)NCCC[C@@H](NC(=O)C(CCCCNC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL270269,7.64
+COc1ccc(CSCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NCCc2ccccc2)cc1,CHEMBL271747,6.95
+N=C(N)NCCC[C@@H](NC(=O)C(CSCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL272646,6.81
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ncc(C)s2)cc1,CHEMBL481986,4.77
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1,CHEMBL474458,4.8
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C(C)C)cs2)cc1,CHEMBL474257,5.04
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C)cs2)cc1,CHEMBL481433,4.57
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nccn2C)cc1,CHEMBL519136,4.62
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CHEMBL482218,4.89
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1,CHEMBL515251,4.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1,CHEMBL473448,5.06
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccn2)cc1,CHEMBL480836,4.89
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1,CHEMBL480638,4.85
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccncc2)cc1,CHEMBL481424,4.89
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1,CHEMBL514299,5.07
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1,CHEMBL515769,5.17
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL514195,5.1
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1,CHEMBL475669,4.85
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,CHEMBL475269,4.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,CHEMBL475268,5.04
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1,CHEMBL475063,5.08
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,CHEMBL515588,4.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1,CHEMBL474865,5.11
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL474664,5.23
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)nc1,CHEMBL519763,4.85
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1,CHEMBL517082,4.51
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1,CHEMBL474059,5.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1,CHEMBL473654,5.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C(C)=O)c1,CHEMBL481227,5.02
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL481034,5.11
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1,CHEMBL519135,6.01
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1C,CHEMBL516749,4.64
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1,CHEMBL479461,5.7
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1OC,CHEMBL479460,4.54
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(OC)c1,CHEMBL480634,5.14
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CHEMBL475062,4.82
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL482388,4.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1,CHEMBL521115,4.8
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CCCCC2)cc1,CHEMBL482191,4.19
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1,CHEMBL479831,4.92
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1,CHEMBL482348,4.82
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL519633,4.82
+CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CC2(C)CCCC2)C(=O)N[C@@H]2C(=O)CO[C@H]2CC)cc1,CHEMBL519115,4.68
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1,CHEMBL480381,4.77
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(S(=O)(=O)NC)c1,CHEMBL482168,4.82
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(S(=O)(=O)NC)cc1,CHEMBL482167,4.57
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CHEMBL482166,4.96
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(NS(C)(=O)=O)c1,CHEMBL481503,5.6
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1,CHEMBL471972,4.92
+CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1,CHEMBL512367,5.0
+CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL450459,5.12
+CN(C)C(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL453738,5.13
+COC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL453473,5.57
+CC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL509518,5.1770000000000005
+CN(C)C(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL450218,5.72
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL501901,5.08
+N#C/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL504183,5.49
+Cc1cc2cc3c(cc2c(-c2ccc(N)cc2)n1)OCO3,CHEMBL609013,5.06
+CC(=O)Oc1cc2cc3c(cc2c(-c2ccc(N)cc2)n1)OCO3,CHEMBL594178,4.87
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)OC(C)(C)C)OCO4)cc1,CHEMBL594179,5.39
+COc1ccc(-c2c3cc(OC)c(OC)cc3cc(=O)n2NC(=O)OC(C)(C)C)cc1,CHEMBL595127,4.4
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2N)OCO4)cc1,CHEMBL596442,5.15
+CCOC(=O)Nn1c(-c2ccc(OC)cc2)c2cc3c(cc2cc1=O)OCO3,CHEMBL594622,5.11
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)Nc2ccc(C(C)=O)cc2)OCO4)cc1,CHEMBL594623,5.68
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)Nc2ccc(SC)cc2)OCO4)cc1,CHEMBL596265,6.07
+COc1ccc(-c2c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3cc(=O)n2N)cc1,CHEMBL603639,5.38
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL1171804,4.53
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccc(OC)cc2)c2ccccc21,CHEMBL1171634,4.22
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(OC)cc2)N=C(c2ccccc2)c2ccccc21,CHEMBL1171635,4.92
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2cccc3ccccc23)N=C(c2ccccc2)c2ccccc21,CHEMBL1171636,4.91
+CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC/C=C/C(=O)OC)C1=O,CHEMBL1171093,5.57
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)NC2CCCCC2)N=C(c2ccccc2)c2ccccc21,CHEMBL1171094,4.12
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)N=C(c2ccccc2)c2ccccc21,CHEMBL1171802,4.19
+C=CCSS(=O)CC=C,CHEMBL359965,5.03
+CCCSS(=O)CCC,CHEMBL1224166,4.95
+O=S(Cc1ccccc1)SCc1ccccc1,CHEMBL1224167,4.5
+CC(C)CCSS(=O)CCC(C)C,CHEMBL1224170,5.47
+CCCCCCSS(=O)CCCCCC,CHEMBL1224171,4.98
+CN(C#N)N(C)C(=O)CNC(=O)OCc1ccccc1,CHEMBL1651240,6.07
+C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651241,6.32
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651242,8.82
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL608115,9.05
+CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL604281,9.8
+CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651351,8.59
+CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1,CHEMBL1651352,9.4
+CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1,CHEMBL1651353,9.44
+CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651354,9.41
+CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL1651355,10.35
+Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651356,8.85
+CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651357,8.96
+Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1,CHEMBL1651349,8.7
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651350,8.36
+CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651358,5.33
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)NCC#N,CHEMBL1651359,6.03
+CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N,CHEMBL1651361,9.66
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1,CHEMBL1651362,5.57
+CC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(C)c2ccccc21,CHEMBL1952264,4.09
+CCCCc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1,CHEMBL2042446,5.82
+O=C(O)c1cc2ccccc2cc1Nc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1,CHEMBL2042454,5.72
+COc1cc(Nc2cc3ccccc3cc2C(=O)O)ccc1OCc1ccccc1,CHEMBL2042461,5.72
+O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)ccc12,CHEMBL2042465,6.05
+O=c1c2cc(OCc3ccccc3)ccc2[nH]c2ccc([N+](=O)[O-])cc12,CHEMBL2042470,6.7
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N,CHEMBL2153172,4.43
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL2153161,7.82
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381996,4.19
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381994,4.55
+NC(=O)[C@H](N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2381992,4.55
+NC(=O)[C@H](CCCC(N)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2381990,4.57
+NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2381993,4.59
+Cc1ccccc1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL2382002,4.64
+Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2382064,4.7
+CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381997,4.77
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL1672506,4.8
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL423787,4.85
+NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2381995,4.85
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1)C(N)=O,CHEMBL2382065,5.05
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1=CCCC1)C(N)=O,CHEMBL2382077,5.11
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382084,5.15
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(N)=O,CHEMBL2382072,5.17
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCN1)C(N)=O,CHEMBL2382076,5.21
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O,CHEMBL2382073,5.26
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)nc1)C(N)=O,CHEMBL2382074,5.3
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1)C(N)=O,CHEMBL2382075,5.34
+NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382061,5.38
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381988,5.38
+NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381991,5.46
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)C(N)=O,CHEMBL2382078,5.49
+NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382060,5.51
+CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL2382067,5.54
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O,CHEMBL2382071,5.57
+CC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL2382070,5.59
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382004,5.59
+CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381989,5.59
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(N)=O,CHEMBL2382079,5.6
+Cc1cccc(-c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCCCN)C(N)=O)cc2)c1,CHEMBL2382001,5.6
+CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)c1,CHEMBL2382069,5.62
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381998,5.62
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O,CHEMBL2382068,5.64
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccc(N)c2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381999,5.74
+Cc1ccc(-c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCCCN)C(N)=O)cc2)cc1,CHEMBL2382003,5.77
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382000,5.77
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382062,5.85
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(N)=O,CHEMBL2382066,6.0
+CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL2382063,6.0
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382083,6.05
+N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2382082,6.13
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2382081,6.35
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+COc1ccccc1CCC(=O)NC1(C(=O)NCC#N)CCCCC1,CHEMBL3218467,4.6
+N#CCNC(=O)C1(NC(=O)CCC2CCCC2)CCCCC1,CHEMBL3218471,4.53
+N#CCNC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1,CHEMBL3218473,4.88
+O=CCNC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1,CHEMBL3218476,6.09
+CN(C(=O)OC(C)(C)C)N(C#N)CC(=O)N1CCOCC1,CHEMBL3342186,5.77
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1,CHEMBL3342185,6.73
+CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C,CHEMBL3342184,6.64
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N1CCOCC1,CHEMBL3342183,6.24
+N#CCNC(=O)C1(NC(=O)c2ccc(Cl)cc2N)CCCCC1,CHEMBL3605409,5.0
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)cc2N)CCCCC1,CHEMBL3605410,4.96
+N#CCNC(=O)C1(NC(=O)c2ccc(Cl)cc2NC(=O)C(F)(F)F)CCCCC1,CHEMBL3605411,5.92
+N#CCNC(=O)C1(NC(=O)c2ccc(N)c(F)c2)CCCCC1,CHEMBL3605413,6.14
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661024,5.7
+C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@@H]21,CHEMBL3661025,5.77
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+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648411,6.57
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648398,7.0
+O=C(N[C@H](C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648412,5.72
+O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1,CHEMBL3648415,5.77
+O=C(N[C@H](C(=O)N1CC[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648396,5.9
+C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648414,5.35
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648397,6.24
+C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1,CHEMBL3648401,5.85
+O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1,CHEMBL3648395,5.77
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648404,5.4
+N#C[C@H](Cc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805560,4.93
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805261,5.16
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805093,5.2
+COC(=O)Cn1cc(COC[C@@H](C#N)NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(-c3ccccc3)cc2)nn1,CHEMBL3805885,6.37
+N#C[C@H](CCOCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805060,5.72
+N#C[C@H](CCOCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3805078,5.67
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3804928,8.9
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3806231,5.98
+N#CCNC(=O)[C@H](Cc1cccc(-c2ccccc2)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3804975,6.15
+N#CCNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805662,6.22
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805807,5.37
diff --git a/chembl_200/CHEMBL3952.csv b/chembl_200/CHEMBL3952.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0cea2acf9f7f21305ceca44a28ce048df7661cf5
--- /dev/null
+++ b/chembl_200/CHEMBL3952.csv
@@ -0,0 +1,1325 @@
+O[C@@]12Cc3c([nH]c4ccccc34)C3Oc4c(OCc5ccccc5)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610285,6.14
+COc1cccc2c1[C@]13CCN(CCc4ccccc4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL545208,6.16
+COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL1628270,7.05
+CN(C(=O)C(c1ccccc1)C1CCCCC1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL545346,8.0
+CN(C(=O)C(c1cccs1)c1cccs1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL543707,8.4
+CN(C(=O)C1c2ccccc2Sc2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL553085,8.0
+CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL540342,8.7
+CN(C(=O)Cc1ccccc1N)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL559010,9.0
+CN(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL543476,8.3
+CC(=O)Nc1cccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(c2ccccc2)c2ccccc2)c1,CHEMBL540345,8.22
+CN(C(=O)C1c2ccccc2CCc2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL552587,7.7
+COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1,CHEMBL540335,8.15
+CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1cccc(N)c1,CHEMBL538063,8.22
+CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1,CHEMBL539317,7.7
+CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL543947,8.22
+CN(C(=O)C1c2ccccc2Cc2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL543236,8.4
+CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL542036,8.15
+Cc1ccc(C(C(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c2ccc(C)cc2)cc1,CHEMBL553084,7.7
+CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1,CHEMBL538802,8.4
+CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(O)cc1,CHEMBL543948,8.22
+C=Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL435466,4.75
+O[C@@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL610881,4.96
+C=C1C[C@]2(CC[C@H](N3CCCC3)[C@@H](N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O,CHEMBL307235,6.96
+C=C1C[C@@]2(CC[C@H](N3CCCC3)[C@@H](N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O,CHEMBL70311,5.96
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2367604,10.095
+CC1(C)SSC[C@@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2370868,5.0
+CCCCCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C,CHEMBL324392,5.7
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1CN1CCCC1,CHEMBL433508,9.19
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1CN1CCCCC1,CHEMBL87010,9.33
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1,CHEMBL71294,9.565
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2C1CN1CCCC1,CHEMBL330449,7.0
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2C1CN1CCCC1,CHEMBL88168,9.34
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1CN1CCCCC1,CHEMBL88393,9.21
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1CN1CCCC1,CHEMBL89307,9.66
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2sccc2C1CN1CCCCC1,CHEMBL329114,9.22
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606872,6.49
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c(Br)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610009,6.48
+COc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL610526,7.37
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(F)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610015,7.82
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c(F)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610529,6.49
+CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(=O)O,CHEMBL2372782,5.65
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4-c4ccccc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL609744,6.13
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+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCCC1,CHEMBL128542,9.175
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+CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL433849,8.89
+O=C(Cc1ccc(Br)cc1)N1CCCCC1CN1CCCC1,CHEMBL130125,9.08
+Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C,CHEMBL435391,8.74
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCC1,CHEMBL2111857,7.81
+O=C(Cc1ccc(O)cc1)N1CCCCC1CN1CCCC1,CHEMBL128912,6.71
+O=C(Cc1cccc(C(F)(F)F)c1)N1CCCCC1CN1CCCC1,CHEMBL128631,8.97
+O=C(Cc1ccc(F)cc1)N1CCCCC1CN1CCCC1,CHEMBL128796,7.81
+CN(C(=O)C1CCc2c(Br)sc3cccc1c23)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL300832,6.61
+CC1c2cccc3cccc(c23)C1C(=O)N(C)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCNC1,CHEMBL543809,8.92
+CN(C(=O)C1CCc2csc3cccc1c23)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL300831,8.14
+CC1c2cccc3cccc(c23)C1C(=O)N(C)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL544276,9.43
+CC(C(=O)N(C)[C@H]1CCCC[C@@H]1N1CCCC1)c1cccc2sccc12,CHEMBL553114,6.65
+CN(C(=O)Cc1cccc2sccc12)[C@H]1CCCC[C@@H]1N1CCCC1,CHEMBL543331,8.43
+C[C@@H]1Cc2ccccc2[C@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL102160,9.37
+CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)c2ccccc21,CHEMBL554885,8.64
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+CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL318244,6.72
+CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL100226,6.91
+CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL319524,7.09
+CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL103349,7.19
+CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL320451,7.81
+CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL101058,7.17
+CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL97781,6.59
+CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL102013,7.09
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCCN,CHEMBL101072,6.62
+CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL318532,8.17
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCCNC(=N)N,CHEMBL319089,7.32
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+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCN,CHEMBL322236,6.43
+CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C,CHEMBL405552,6.83
+CC(C)CC(NC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCCNC(=N)N,CHEMBL328843,6.6
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+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL2364529,6.62
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCN,CHEMBL316879,6.55
+CC(C)CC(NC(=O)CNC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)NCCCNC(=N)N,CHEMBL265055,7.14
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3CC1C2C)C(=O)OC,CHEMBL408096,7.11
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+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL301867,5.57
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+Oc1cccc(C23CCCC[C@H]2CN(CCc2ccccc2)CC3)c1,CHEMBL359363,7.05
+Oc1cccc(C23CCCC[C@H]2CN(CC2CC2)CC3)c1,CHEMBL153538,8.6
+C=CCN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1,CHEMBL22650,5.84
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+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1,CHEMBL1907787,9.04
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+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL1161412,7.3
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1,CHEMBL1161419,4.98
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+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161430,7.38
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161428,7.22
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1,CHEMBL1161424,6.59
+Cc1cc(O)cc(C)c1C[C@H](N)[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL1161422,7.16
+Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1,CHEMBL1161423,7.07
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+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCC1,CHEMBL128444,9.28
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(O)cc1,CHEMBL10986,8.32
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccccc1,CHEMBL11285,6.35
+COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13,CHEMBL607048,5.29
+COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCN(C)C)(C2)[C@H]13,CHEMBL607047,6.73
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL105665,8.38
+Oc1ccc2c3c1OC1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318414,6.59
+Oc1ccc2c3c1OC1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL99136,7.08
+Oc1ccc2c3c1OC1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL95217,6.91
+Oc1ccc2c3c1OC1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL419144,6.19
+Oc1ccc2c3c1OC1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL95596,7.685
+Oc1ccc2c3c1OC1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL317298,7.36
+Oc1ccc2c3c1OC1c4[nH]c5c(OCc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL319964,6.77
+Oc1ccc2c3c1OC1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL318432,6.695
+Oc1ccc2c3c1OC1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL99094,6.335
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL308813,8.85
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(N)c1,CHEMBL542149,10.23
+CC(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL558596,10.07
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(N)c1,CHEMBL558597,7.83
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL307919,8.09
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL310636,6.86
+CC(=O)Nc1cccc([C@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL542403,7.76
+Oc1ccc2c3c1O[C@H]1C4=C(C[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)C(c1ccccc1)C1=C(O4)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,CHEMBL610002,8.0
+Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4,CHEMBL610005,8.85
+CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13,CHEMBL296495,5.44
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL44910,7.52
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,CHEMBL44490,5.5
+CC1CN(CCc2ccccc2)C2C[C@H](NC(=O)CCCN(C)C)CC1(c1cccc(O)c1)C2,CHEMBL326179,7.92
+CC1CN(CCc2ccccc2)C2C[C@H](NC(=O)CCNC(=N)N)CC1(c1cccc(O)c1)C2,CHEMBL421421,7.63
+CC1CN(CCc2ccccc2)C2C[C@H](NC(=O)CCCNC(=N)N)CC1(c1cccc(O)c1)C2,CHEMBL118282,7.88
+CN1CCC2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)C1C2,CHEMBL110319,6.122999999999999
+CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL607331,5.75
+CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL607155,5.78
+CN(C(=O)Cc1ccc2ccccc2c1)C1CCCCC1N1CCCC1,CHEMBL2303668,5.79
+CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL607105,5.3
+CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1,CHEMBL316988,5.42
+CCCCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C([C@@H](C)N2CCCC2)C1,CHEMBL97051,6.87
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,CHEMBL277863,9.35
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@H](C)N2CCCC2)C1,CHEMBL2114294,7.46
+C[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL2114292,6.3
+CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@@H](C)N2CCCC2)C1,CHEMBL2114296,7.36
+C[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL2114293,7.89
+CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1,CHEMBL2115273,8.38
+C[C@H]([C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1,CHEMBL2115271,6.69
+CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1,CHEMBL2114291,9.17
+CCCCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C([C@H](C)N2CCCC2)C1,CHEMBL319835,6.63
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@@H](C)N2CCCC2)C1,CHEMBL2114295,8.06
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1,CHEMBL1094879,9.51
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1,CHEMBL1095519,8.62
+Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346165,7.985
+N=C(N)Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL348011,9.075
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3[C@H]1C5,CHEMBL611685,6.45
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,7.782999999999999
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3[C@H]1C5,CHEMBL611431,6.81
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610262,8.085
+CN(CCc1cc(Cl)c(Cl)cc1I)CCN1CCCC1,CHEMBL71049,4.73
+FCCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1,CHEMBL70861,4.98
+CCC[C@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169580,8.64
+CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169584,7.86
+CCO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)[C@@H]3C5,CHEMBL2113670,9.52
+CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169585,9.1
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cc2ccccc2[nH]1,CHEMBL127619,6.53
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL341529,8.99
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL124015,8.05
+CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccsc1,CHEMBL169703,9.11
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL127969,9.3
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(Cl)cc1,CHEMBL340001,7.46
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL126282,7.75
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127463,9.25
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127968,8.32
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL296282,8.57
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C#N)cc13,CHEMBL296304,6.7
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCCF)CC3,CHEMBL295237,8.6
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,8.64
+CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL432120,7.33
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(C[C@@H]1CCCO1)CC3,CHEMBL301804,9.74
+NCc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL298688,8.07
+CC(C)=CCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL295402,8.13
+N#Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL48157,8.22
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL300033,9.74
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL49143,8.74
+COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@H](NCC3)C2=O,CHEMBL297467,6.41
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48241,9.32
+C#CCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL298571,7.22
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL299220,9.74
+O=C(O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL299189,7.23
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13,CHEMBL297292,8.41
+C#CCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC#C)CC3,CHEMBL300023,6.3
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL49269,10.343
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13,CHEMBL48420,6.96
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(CN)cc13,CHEMBL49318,6.92
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL433272,10.06
+COCCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL432873,7.77
+N#Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL46320,6.4
+O=C(Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3)c1ccccc1,CHEMBL49106,8.11
+O=C1c2ccc(OCC3CCC3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL298446,6.54
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCc1ccccc1)CC3,CHEMBL48390,8.11
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL300877,8.33
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCF)CC3,CHEMBL48816,6.6
+O=C1c2ccc(-c3nn[nH]n3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48974,6.44
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1NCC3,CHEMBL48936,7.6
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CC1)CC3,CHEMBL298027,7.62
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL301160,10.13
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(Cc1ccc2ccccc2c1)CC3,CHEMBL47488,6.11
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(-c2nn[nH]n2)cc13,CHEMBL299132,6.42
+c1cc2c(cc1-c1nn[nH]n1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL296328,6.07
+Oc1ccc2c3c1O[C@H]1Cc4c([nH]c5ccccc45)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL418105,7.48
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611436,7.12
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610522,7.627000000000001
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611686,5.13
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611438,6.33
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346173,8.06
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)[C@H]1C5,CHEMBL611433,6.36
+COc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,CHEMBL611428,5.19
+COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610260,6.27
+CC1CN(C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CCC1(C)c1cccc(O)c1,CHEMBL359088,7.08
+CC1CN(C[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)cc2)CCC1(C)c1cccc(O)c1,CHEMBL148843,7.26
+CC(C)C[C@@H](CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)CCc1ccc(O)cc1,CHEMBL149611,7.05
+CCC(C)[C@@H](CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)CCc1ccc(O)cc1,CHEMBL151243,8.05
+CCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611699,5.51
+CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611698,5.21
+CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611696,5.49
+CC(C)CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611703,6.17
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611695,6.42
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611700,6.05
+CCCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL611701,5.7
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL608241,6.19
+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL52307,5.907
+CCCOC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL293135,5.19
+CCOC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL54780,5.35
+CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1,CHEMBL607263,5.95
+COC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL54581,5.58
+CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL354548,7.13
+CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL535133,6.14
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL559217,7.54
+Cc1cc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2N2CCCCCC2)cc(C)c1Cl,CHEMBL556957,8.4
+C=CCN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL539582,7.28
+CN(CCc1cccs1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL536937,7.09
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL537169,7.4
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL557426,7.92
+CN(C(=O)COc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL556802,6.44
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL70586,7.92
+CN(C(=O)COc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL556547,5.68
+CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL536939,5.74
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL535801,8.19
+CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL558979,7.52
+CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL537165,6.7
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCCC1,CHEMBL538309,8.51
+CN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL537615,7.14
+CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL541619,7.46
+CN(C(=O)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL535130,6.82
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCCC1,CHEMBL538308,6.6
+CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL534684,6.52
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCCC1,CHEMBL535581,8.25
+C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371025,5.55
+NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL557035,6.08
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371015,5.89
+C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371020,5.36
+C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2369139,5.92
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2370013,6.35
+C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371019,6.6
+C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL2371026,6.12
+C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371016,5.47
+C[C@@H](c1ccc(O)cc1)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371013,5.6
+C[C@H](c1ccc(O)cc1)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL2371014,5.93
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccccc2CN1,CHEMBL10872,8.68
+CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111836,9.72
+COc1cccc2c1C(c1ccccc1)=NCC(CCNC(=O)c1cccs1)N2C,CHEMBL126596,6.94
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1,CHEMBL2111837,8.34
+CN1c2ccccc2C(c2ccccc2F)=NCC1CCNC(=O)c1ccsc1,CHEMBL127828,9.11
+O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1,CHEMBL126688,8.76
+CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448128,8.61
+CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1,CHEMBL338393,7.59
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1,CHEMBL2448129,8.18
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL407076,7.7
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370861,7.55
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL386618,7.85
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL408360,8.1
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+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370877,6.32
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+N=C1NC([C@]2(N)CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)=N[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL299772,7.06
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1,CHEMBL1202931,9.08
+CO[C@H]1CC(N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC,CHEMBL544321,7.8
+CC1CN(C)CCC12COc1c(O)cccc12,CHEMBL300689,6.525
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+CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3C23CCN(C)C(C4)C13,CHEMBL297839,6.57
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5,CHEMBL607396,6.14
+C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3C23CCN(C)C(C4)C13,CHEMBL295295,6.4
+CN1CC[C@]23c4c5ccc(N)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL333959,6.13
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+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2367918,8.92
+CN(C)c1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119332,6.54
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+CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119692,5.55
+Oc1ccc2c3c1O[C@H]1c4ncc(NCc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL149256,8.17
+N#Cc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL150028,7.47
+O=[N+]([O-])c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL358208,7.04
+Oc1ccc2c3c1O[C@H]1c4ncc(CNc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL146907,7.72
+Oc1ccc2c3c1O[C@H]1c4ncc(Br)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL356861,7.25
+CCOC(=O)c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL357680,8.02
+Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL356387,7.92
+CC(C)[C@@H](CN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112475,7.76
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1,CHEMBL326471,8.01
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C,CHEMBL575508,10.28
+CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)N[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(C)C,CHEMBL2112472,6.84
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL2111681,7.745
+N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,CHEMBL485832,9.74
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC[C@H]1Cc2ccc(O)cc2CN1,CHEMBL2112473,9.2
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C,CHEMBL2112474,7.81
+CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C,CHEMBL2373217,6.91
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C,CHEMBL2373184,7.38
+CCC(=O)N(c1ccccc1)[C@H]1CCN(CC(O)c2ccccc2)C[C@@H]1C,CHEMBL544473,7.07
+CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C,CHEMBL38685,7.24
+NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL56695,7.66
+CN1CC[C@]23c4c5ccc(C(N)=O)c4OC2C(O)C=C[C@H]3[C@H]1C5,CHEMBL47512,5.7
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccco1,CHEMBL328236,9.89
+COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL90667,10.03
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(F)(F)F,CHEMBL314294,8.89
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccccc1,CHEMBL92349,7.24
+N#CCCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL327935,9.42
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccccc1,CHEMBL430833,8.0
+C=CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL328269,9.8
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccco1,CHEMBL91231,8.1
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C\I,CHEMBL2114257,9.19
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccco1,CHEMBL327490,7.92
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C/I,CHEMBL2115245,10.43
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1cccs1,CHEMBL90305,7.6
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCc1ccccc1,CHEMBL327576,8.89
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1cccs1,CHEMBL327885,8.35
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccccc1,CHEMBL96785,8.72
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCOc1ccccc1,CHEMBL92774,7.82
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1cccs1,CHEMBL329020,9.49
+N#CCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL93731,9.64
+CN1CCC2(c3cccc(O)c3)CCCC1[C@H]2O,CHEMBL290855,6.96
+C[C@@H]1C2CCCC1(c1cccc(O)c1)CCN2C,CHEMBL287726,7.17
+C[C@H]1C2Cc3ccc(N(C)Cc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293951,7.36
+C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL301835,8.505
+CNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL291751,8.07
+C[C@H]1C2Cc3ccc(N4CCN(C)CC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55392,8.06
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL3085528,9.74
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CN2CC1CC1,CHEMBL2021605,7.12
+C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56165,7.96
+C[C@H]1C2Cc3ccc(N4CCCCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL543563,6.52
+C[C@H]1C2Cc3ccc(N4CCOCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55248,6.25
+C[C@H]1C2Cc3ccc(N4CCCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55948,6.39
+CCNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55851,8.48
+CC(C)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55434,7.11
+CC1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL57628,9.31
+Nc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL59314,8.24
+C[C@H]1C2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56208,6.09
+C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL58646,9.28
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293103,6.34
+C[C@H]1C2Cc3ccc(NC=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56246,9.07
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)[C@@H]2C,CHEMBL299709,8.92
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,CHEMBL60869,9.15
+C[C@@H]1C2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL299027,6.05
+C[C@H]1C2Cc3ccc(N(C)C=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293485,6.7
+CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL56357,6.89
+O=CNc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL298590,8.38
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL506821,9.08
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNOC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216899,7.51
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NOC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407124,8.61
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL414068,8.42
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+C[C@H]1C2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CCCO1,CHEMBL280958,6.14
+Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL2113675,9.82
+O=C1c2ccc(O)cc2C23CCCCC2C1N(CC1CC1)CC3,CHEMBL1202425,7.62
+C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168409,8.54
+C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422563,9.3
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(Nc4ccccc4)cc31)[C@@H]2C,CHEMBL352965,8.66
+COc1ccc(CNc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL168913,7.15
+C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc14,CHEMBL352365,8.02
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+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2368317,8.11
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+C[C@H]1C2Cc3ccc(Nc4ccc(C(F)(F)F)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169670,7.96
+C[C@H]1C2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL354172,9.0
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+C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2368320,6.3
+C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422567,8.04
+Cc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL355403,9.24
+C[C@H]1C2Cc3ccc(Nc4ccc(N(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL440196,8.06
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169030,8.6
+C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL353938,8.14
+C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL170384,8.15
+COc1ccccc1Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL353303,8.66
+C[C@H]1C2Cc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL352827,7.85
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168392,8.24
+C[C@H]1C2C(=O)c3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422560,9.1
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+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCCF,CHEMBL419511,10.08
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CC1CCCC1,CHEMBL327309,9.68
+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1cccc([N+](=O)[O-])c1,CHEMBL2310839,5.96
+CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C/C=C/c1cccc([N+](=O)[O-])c1,CHEMBL67384,6.12
+CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C/C=C/c1ccccc1,CHEMBL307793,5.52
+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1cccc(Cl)c1,CHEMBL2310837,5.92
+CCC(=O)N1C2CC[C@@H]3[C@H]1CCC2N3C/C=C/c1ccccc1,CHEMBL2310838,6.1
+C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1,CHEMBL318723,6.08
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL319536,7.28
+CN1CC[C@]2(c3cccc(O)c3)Cc3ccccc3C[C@]2(C)C1,CHEMBL324681,7.03
+C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CCN(CCc1ccccc1)C2,CHEMBL107398,8.095
+O=C1/C(=C\c2ccc(-c3ccccc3)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162048,6.4
+O=C1/C(=C\c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162267,7.43
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+CC(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccc4ccccc4c2)C[C@@]3(O)[C@H]1C5,CHEMBL165410,6.74
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+O=C1/C(=C/c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL434867,6.92
+CCCCOc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL322195,7.89
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(O)CCC(=O)C3,CHEMBL104310,7.64
+CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL543329,8.47
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL539246,9.08
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369873,9.44
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369885,9.68
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369870,9.85
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369874,9.35
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL414773,9.82
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369883,9.66
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369884,9.89
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369871,9.17
+CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2C[C@@H]3CC[C@H](C2)N3CC=C(C)C)cc1,CHEMBL3085003,6.1
+C=CCN1[C@H]2CC[C@@H]1C[C@H](N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1)C2,CHEMBL3085002,7.14
+C/C=C\CN1C2CCC1CC(N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)C2,CHEMBL280698,5.93
+C=CCN1[C@H]2CC[C@@H]1C[C@H](N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)C2,CHEMBL3085004,5.97
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1,CHEMBL60547,6.78
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCCC1,CHEMBL131328,9.32
+CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL339552,8.87
+CCCCC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,CHEMBL72786,10.21
+NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL19982,8.59
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)C(=O)OC,CHEMBL3144356,8.66
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5)C(=O)O,CHEMBL1202433,8.55
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC,CHEMBL1791447,7.4
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3C)[C@H]1O5)C(=O)O,CHEMBL1202430,7.02
+CN1CCC23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)C1C5,CHEMBL1202432,6.75
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)OC,CHEMBL3144355,8.01
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350133,6.23
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+O=C(CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350138,8.64
+O=C(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350137,8.6
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350135,6.7
+O=C(CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350129,8.92
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350134,6.74
+CC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL607319,5.19
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350127,6.3
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL3350139,5.36
+O=C(CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350130,8.64
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350136,7.03
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL610018,7.74
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350132,6.34
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350140,6.57
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2369477,7.955
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL404976,7.3
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(=O)O)c1,CHEMBL344885,8.92
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(=O)O)c1,CHEMBL138547,9.47
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL173874,7.24
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368421,8.01
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL174263,5.57
+CCCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL172493,7.92
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCF)C(C2)N(CC2CC2)CCC314,CHEMBL353930,6.29
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL368600,7.26
+CCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL367497,7.85
+CCCSCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL172529,7.84
+O=CN[C@@]12Cc3c(n(CCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367962,7.74
+O=CN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL176537,7.57
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCCF)C[C@@]3(O)C1C5,CHEMBL173749,6.7
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367290,5.75
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368522,8.08
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCCF)C(C2)N(CC2CC2)CCC314,CHEMBL173319,5.51
+O=CN[C@@]12Cc3c(n(CCCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL170399,7.74
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCF)C[C@@]3(O)C1C5,CHEMBL435898,6.93
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(N)C(C2)N(CC2CC2)CCC314,CHEMBL177194,5.14
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL157313,7.17
+CNC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL157301,8.59
+C[C@H]1C2Cc3ccc(C(=O)N(C)C)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL346813,5.6
+COC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL160924,8.7
+C[C@H]1C2Cc3ccc(C#N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL154255,7.15
+C[C@H]1C2Cc3ccc(C(=O)O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL160677,7.51
+C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2368218,9.55
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL150609,5.7
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1,CHEMBL555571,5.0
+CCCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,CHEMBL150430,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCCCC2)cc1,CHEMBL127240,5.0
+CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCOCC2)cc1,CHEMBL125626,5.0
+CCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL153183,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCN(C)CC2)cc1,CHEMBL541349,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1,CHEMBL552849,5.0
+CCN(CC)C(=O)c1ccc(C(OCCN(C)C)c2cccc(OC)c2)cc1,CHEMBL150785,5.0
+C=CCN1CCC(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL555570,5.0
+CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1,CHEMBL542267,5.0
+CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1,CHEMBL544638,5.0
+C=CCN1CCN(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1,CHEMBL346625,5.0
+CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(OC)c2)cc1,CHEMBL545335,5.12
+C=CCN1C[C@H](C)N([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C,CHEMBL153648,5.52
+CN1CC[C@]23c4cccc(O)c4O[C@H]2C(=O)CC[C@H]3C1,CHEMBL324418,6.73
+O=C1CC[C@@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106910,7.21
+COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL321289,5.75
+Oc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL319236,8.31
+O=C1CC[C@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106027,8.76
+COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL106085,6.85
+Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213,CHEMBL104042,8.92
+Oc1cccc2c1O[C@H]1[C@H](O)CC[C@@H]3CN(CC4CC4)CC[C@@]231,CHEMBL323281,7.92
+CCO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1ccc(O)c(OC)c13,CHEMBL317269,8.26
+C=CCN1CCC23CC(=O)CC[C@@]2(OC)C1Cc1ccc(O)c(OC)c13,CHEMBL317030,7.6
+O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CCN1[C@H]1CCCC[C@@H]1N1CCCC1,CHEMBL609126,8.0
+O=C([C@@H]1CCc2cc(Cl)c(Cl)cc21)N1CCSC[C@H]1CN1CCCC1,CHEMBL612077,9.36
+CN1CCCC1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL612078,9.48
+O=C1N(c2ccc(Cl)c(Cl)c2)CCCN1[C@H](CN1CCCC1)c1ccccc1,CHEMBL612075,9.38
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@H]1CN1CCCC1,CHEMBL612073,10.05
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccc(O)cc2CC[C@@H]1N1CCCC1,CHEMBL611804,9.0
+C[C@H]1CN(C2CCCC(O)C2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL60657,5.94
+C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113735,7.09
+C[C@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL2113734,6.41
+C[C@H]1CN(C2CCCC(O)(c3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL444048,6.17
+C[C@H]1CN(C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL61718,6.5
+C[C@H]1CN(C/C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL64019,6.53
+C[C@H]1CN(C2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL293633,6.7
+CC(=O)OC[C@@]1(c2ccccc2)CC1CN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C,CHEMBL436608,6.64
+C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1C[C@@]1(C(=O)Nc1ccccc1)c1ccccc1,CHEMBL145293,5.63
+CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@@H]1C2,CHEMBL2111684,6.05
+COc1cccc([C@]23CCN(C)[C@H](CC(=O)C2)C3)c1,CHEMBL2111686,5.6
+CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@H]1C2,CHEMBL3350264,5.96
+O=C1c2ccc(O)c3c2C24CCN(CC5CC5)C1[C@]2(O)CCC(=O)[C@@H]4O3,CHEMBL366520,6.99
+CN(c1ccc([N-][N+]#N)cc1)C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,CHEMBL314209,9.15
+CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1,CHEMBL290429,7.205
+CN(c1ccc([N+]#N)cc1)C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,CHEMBL311995,9.0
+CCOc1ccc(Cc2nc3cc([N-][N+]#N)ccc3n2CCN(CC)CC)cc1,CHEMBL310829,6.62
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113662,6.83
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(OCC)[C@H]1C5,CHEMBL2113653,7.17
+CCCO[C@@]12Cc3c(n(CCC)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2113645,8.51
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113652,6.25
+C=CCO[C@@]12Cc3c(n(CC=C)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC=C)[C@@H]2C5,CHEMBL2113661,6.12
+CCCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CC1)[C@@H]2C5,CHEMBL2113647,6.3
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CC1CCC1)[C@@H]2C5,CHEMBL2113659,6.42
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(OC)[C@H]1C5,CHEMBL2113657,6.63
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL608246,6.34
+CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(CC)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL2113658,5.44
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113656,5.82
+CC(C)CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL2113655,5.9
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(OC)[C@H]1C5,CHEMBL2113660,6.94
+CO[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCCCC1)[C@@H]2C5,CHEMBL2113651,5.49
+O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)C4Cc5ccc(O)c6c5C2(CCN4CC2CC2)[C@H]3O6)c1,CHEMBL282518,8.06
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL282107,6.61
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL280649,6.98
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL26648,6.21
+CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1,CHEMBL72850,7.4
+CC(C)COC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL2115154,7.64
+Cc1cc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL118487,6.17
+Oc1ccc2c3c1O[C@H]1c4nc(Cc5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112578,5.9
+Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL2112575,7.6
+Oc1ccc2c3c1OC1c4nccc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL118479,6.58
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)cc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112568,5.67
+Oc1ccc2c3c1O[C@H]1c4ncnc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112570,6.67
+Oc1ccc2c3c1O[C@H]1c4nc5ccccc5c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112573,6.57
+Cc1nc(-c2ccccc2)c2c(n1)C1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL333393,6.25
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112576,7.74
+Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112572,8.2
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112571,7.96
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL2112577,5.6
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL285410,10.4
+NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL286585,8.47
+N=C(N)NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3C1(CCN2CC1CC1)[C@H]4O5,CHEMBL287750,9.23
+O=C(NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)C1=C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5)OCc1ccccc1,CHEMBL284522,9.44
+NCC(=O)NCC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL285052,7.68
+CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL292521,5.53
+CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL58362,7.1
+CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL61630,6.843
+CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL60533,5.59
+CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1ccsc1,CHEMBL171400,9.1
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL442323,10.7
+C=CCN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,CHEMBL406338,10.31
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL267215,8.44
+C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL166853,9.22
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+CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)C3O5,CHEMBL353876,9.15
+CC1C2CC34CCC2(OC1(C)C)C1Oc2c(O)ccc5c2C13CCN(C)C4C5,CHEMBL169367,8.59
+CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL349841,8.66
+C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL349636,8.96
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+COc1ccc2c3c1O[C@@H]1C34CCN(C)[C@H](C2)C42CC[C@]1(OC)[C@@H]([C@](C)(O)C(C)C)C2,CHEMBL355296,9.15
+CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL511142,8.98
+COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5,CHEMBL353979,9.4
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,5.35
+C[C@H]1CN(CCc2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317766,7.17
+C[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL94409,7.125
+C[C@H]1CN(CC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95935,7.31
+C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL329882,7.44
+C[C@H]1CN(CCc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL439586,7.415
+CC(CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)c1ccccc1,CHEMBL95991,7.25
+C[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL330138,7.305
+COc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL97516,7.19
+C[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL319503,7.495
+Cc1cccc(CCCN2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)c1,CHEMBL97111,7.225
+C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97767,7.18
+CCCCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL319561,7.15
+Cc1cccc(CCN2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)c1,CHEMBL97434,7.275
+C[C@H]1CN(CC2CCCO2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL98403,7.785
+CCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL97360,7.235
+C[C@H]1CN(CC(O)Cc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL93614,7.245
+C[C@H]1CN(Cc2ccoc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL94856,7.125
+C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97779,7.165
+C[C@H]1CN(CCC(=O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95932,7.82
+C=CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL94515,6.5
+C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL94345,6.735
+C[C@H]1CN(CCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95527,7.24
+C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL320218,7.82
+C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL98507,8.345
+C[C@H]1CN(CCCc2ccco2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97670,7.85
+C[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL330371,7.15
+C[C@H]1CN(CCC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL98133,7.9
+C[C@H]1CN(CCC(O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL330389,7.93
+Cc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL431845,8.05
+C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317097,8.0
+CCCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL96058,8.107000000000001
+C[C@@H]1CN(CCC(=O)c2ccccc2)CC[C@]1(C)c1cccc(O)c1,CHEMBL2114297,6.5
+CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL95282,7.74
+C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1,CHEMBL316760,7.895
+C[C@H]1CN(CCCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL327851,7.21
+Cc1ccccc1CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL95050,8.12
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2,CHEMBL73226,8.82
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)CC[C@@H]1N1CCCC1,CHEMBL74010,7.11
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2,CHEMBL73131,7.03
+C[C@@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1,CHEMBL319528,8.19
+CC(C)CCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL98568,8.475
+CC(C)CCCCN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1,CHEMBL95343,8.52
+C[C@H]1CN(CCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97509,8.64
+C[C@H]1CN(CCC(O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL329957,8.32
+C[C@@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1,CHEMBL97751,7.84
+C[C@H]1CN(CCC2C=CCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317936,9.0
+CC(C)CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL97223,8.02
+C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95647,8.47
+C[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL431266,8.64
+CC(C)C(O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL94577,8.16
+C[C@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL99410,7.94
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL982,8.7
+C=C(C)CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL96022,7.68
+CCCCCCN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1,CHEMBL97731,8.24
+C[C@H]1CN(CCC(=O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL96776,8.41
+CC(C)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1,CHEMBL328383,7.15
+C[C@H]1CN(CCC(O)C2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL317756,8.26
+C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL97747,7.54
+C[C@H]1CN(CCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL95620,8.14
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1,CHEMBL361274,6.91
+C=CCO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,CHEMBL607404,7.47
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL607351,8.93
+CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,CHEMBL607482,8.61
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2cccc3ccccc23)[C@H]1C5,CHEMBL607407,9.04
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2c(Cl)cccc2Cl)[C@H]1C5,CHEMBL607483,7.48
+CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)[C@@H]2C5,CHEMBL607406,7.08
+CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL326684,7.6
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13,CHEMBL611393,7.44
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607067,6.07
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C(C)[C@H]3[C@H]1C5,CHEMBL607118,6.92
+CCN1CC[C@]23CC4Nc5ccccc5C4C[C@H]2C1Cc1ccc(OC)c(O)c13,CHEMBL359917,5.44
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@@H]1CC1c2ccccc2NC1C3,CHEMBL178829,5.1
+CCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606740,6.42
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606673,6.05
+CCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL607484,5.7
+CCCCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606738,5.51
+CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL607485,5.21
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606676,6.19
+CC(C)CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606607,6.17
+C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606798,6.02
+C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606675,5.42
+CC(C)=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606606,5.49
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610618,5.53
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610617,5.88
+O=C(Oc1cccc2[nH]c3c(c12)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611397,6.27
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610878,6.45
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611399,7.12
+O=C(Oc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1,CHEMBL611132,7.09
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611133,6.2
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611396,6.63
+O=C(Oc1ccc2c3c([nH]c2c1)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610616,6.33
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(-c6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611131,6.51
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611398,7.47
+O=C(Oc1cccc2c3c([nH]c12)[C@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3)c1ccccc1,CHEMBL610620,6.59
+Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610880,7.7
+C=Cc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610882,4.75
+CC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606795,6.9
+CCCCC1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13,CHEMBL606674,6.14
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)C(C2)[C@]1(O)CC1c2ccccc2NC1C3,CHEMBL370897,5.5
+Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195784,8.06
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL370544,7.74
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL192443,7.75
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195684,7.7
+Oc1ccc2c3c1O[C@H]1c4nccc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL194021,6.58
+Cc1cc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL364055,6.17
+Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL195770,8.2
+Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL363601,7.6
+Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ncc4C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL363348,7.96
+Cc1nc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c(O)ccc4c3C13CCN(CC1CC1)C(C4)[C@]3(O)C2,CHEMBL371565,6.25
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL317536,6.52
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+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(CCc4ccccc42)C[C@@]3(O)C1C5,CHEMBL192133,6.0
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccccc2)C[C@@]3(O)C1C5,CHEMBL194938,5.35
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL316930,7.42
+C=C(C)CN1CCC23c4c5ccc(OC)c4O[C@H]2c2[nH]ncc2C[C@@]3(O)C1C5,CHEMBL95847,5.51
+C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,CHEMBL329719,6.24
+C=CCN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL364937,7.12
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)C1C5,CHEMBL427546,6.44
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)C1C5,CHEMBL194033,6.33
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@@]3(O)C1C5,CHEMBL193586,6.36
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3C1C5,CHEMBL195756,7.09
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3C1C5,CHEMBL265033,7.11
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+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCCCc2ccccc2)c13,CHEMBL370759,6.68
+CO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1cccc(OCc2ccccc2)c13,CHEMBL372439,7.25
+CCCCCCOc1cccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL194825,6.36
+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc(O)c4C2(CCN3CC2CC2)C1,CHEMBL370966,8.23
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+O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5,CHEMBL371845,7.64
+CC1CN(CCCc2ccccc2)C2CC(N)CC1(c1cccc(O)c1)C2,CHEMBL195477,6.91
+CC1CN(CCCc2ccccc2)C2CC(NC(=O)CCCN(C)C)CC1(c1cccc(O)c1)C2,CHEMBL195562,7.92
+CC(=N)NCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL425735,7.63
+CC1CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@@H](O5)C1=O,CHEMBL195316,8.15
+CC(=N)NCCCC(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1,CHEMBL195040,7.88
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+C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CCC3(O)C1C5,CHEMBL378753,9.4
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+NC(=O)[C@H]1CCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL222830,7.15
+NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL373572,7.4
+NC(=O)[C@@H]1CCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL387159,6.51
+O=C(O)CN1CCN(CCCCCn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@@H]3O6)CCN(CC(=O)O)CCN(CC(=O)O)CC1,CHEMBL426750,7.58
+O=C(O)CN1CCN(CCn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@@H]3O6)CCN(CC(=O)O)CCN(CC(=O)O)CC1,CHEMBL390173,5.7
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+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c(C)cccc1C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL228516,6.69
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+Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL388800,6.0
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL228409,7.03
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+Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL389948,6.75
+C=CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC=C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL158920,5.41
+N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL229441,5.4
+CCCCN1CC2CCC(O)C1CN2Cc1ccccc1,CHEMBL395069,5.8
+c1ccc(CCN2CC3CCC(OCc4ccccc4)C2CN3Cc2ccccc2)cc1,CHEMBL244449,5.65
+CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL429103,5.95
+CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL394352,6.23
+COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL244652,5.3
+CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1,CHEMBL244650,6.8
+CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1,CHEMBL242297,5.44
+O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL242077,5.89
+O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL395304,5.61
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,CHEMBL427683,7.0
+CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O,CHEMBL391631,7.36
+COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1,CHEMBL391650,7.33
+CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL240084,5.38
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL241357,6.43
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391422,6.2
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1,CHEMBL238795,5.37
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL393960,6.78
+COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL391234,6.17
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1,CHEMBL240074,7.0
+COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238637,6.17
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1,CHEMBL391486,6.3
+CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL239260,5.81
+COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL239043,6.35
+COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,CHEMBL238833,6.92
+COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnc[nH]4)c4ccccc43)CC2)C(C)C)c1,CHEMBL260556,6.06
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL490418,8.21
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@H]1O2,CHEMBL474296,9.63
+OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL474497,9.99
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c6c(ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)CCCC6,CHEMBL469046,7.28
+COc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL511773,5.48
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL469027,7.4
+COc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL504916,5.48
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL520557,7.82
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL476540,8.1
+CCn1c2c(c3cccc(C)c31)C[C@@]1(O)[C@H]3Cc4ccc(OC)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL514366,5.33
+Cc1cc(C(N)=O)cc(C)c1C[C@H](C)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CNC1=O,CHEMBL445869,6.73
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(C(N)=O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL501892,7.59
+Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)(C)SSC1(C)C,CHEMBL510976,5.43
+Cc1cc(C(N)=O)cc(C)c1C[C@H](C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)(C)SSC1(C)C,CHEMBL501939,5.44
+Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CNC1=O,CHEMBL503771,7.03
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL490665,9.712
+O=C(/C=C/c1ccccc1)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL473206,8.44
+Cc1ccc(/C=C/C(=O)O[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(CC2CC2)[C@@H]3C6)cc1,CHEMBL474641,8.09
+O=C(/C=C/c1ccc(Cl)cc1)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL514927,8.08
+CCC12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)C2C,CHEMBL461229,9.15
+CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL505011,5.7
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL517166,10.05
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1,CHEMBL464071,8.82
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1,CHEMBL459746,8.55
+C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2107292,9.0
+CC1C2C(=O)c3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1,CHEMBL511691,8.74
+O=C1N(CCc2ccccc2)CO[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL459043,8.06
+CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1,CHEMBL327745,6.14
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL559518,9.44
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL564538,8.36
+O=C1c2ccccc2N[C@]12C[C@@]1(O)[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL551207,7.87
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL572542,6.57
+Cc1cc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL572494,6.22
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL583485,5.91
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL583285,5.8
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL583486,5.78
+Cc1cc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL583487,5.56
+N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL572543,5.32
+CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL485605,9.65
+O=C(Nc1ccccc1)[C@@H]1O[C@@]23CC[C@@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1165548,9.82
+O=C(Nc1ccccc1)[C@H]1O[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2016680,9.935
+CC[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](NCC1CC1)C4,CHEMBL598940,6.56
+C=C[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4,CHEMBL604939,6.7
+C=C[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](NCC1CC1)C4,CHEMBL604733,6.71
+COc1ccc2cc(C(C)CCN(C)Cc3ccccc3)ccc2c1,CHEMBL597642,6.08
+CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,CHEMBL1080485,5.57
+CCC(=O)N(Cc1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089542,9.27
+CCC(=O)/C(=C\c1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089543,6.62
+CCC(=O)/C(=C/c1cccc(CNC(=N)N)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089873,6.79
+CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1,CHEMBL1089546,5.73
+CCC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094237,7.89
+CCC(=O)N1C[C@@H]2[C@@H](N3CCCC3)CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094236,6.33
+COC(=O)N1C[C@H]2[C@@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1096475,7.1
+COC(=O)N1C[C@@H]2[C@H](N3CCCC3)CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1095183,6.29
+COC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1094880,9.0
+COC(=O)N1C[C@@H]2[C@@H](N3CCCC3)CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL1096675,6.82
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1096474,6.38
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL1096473,6.82
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1095521,8.06
+O=C1CC[C@@H]2[C@H]3c4c(ccc(O)c4O[C@@H]13)C[C@H]2NCC1CC1,CHEMBL1083953,7.49
+CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@H]21,CHEMBL1082323,8.06
+O=C1CC[C@]2(O)[C@H]3c4c(ccc(O)c4O[C@@H]13)C[C@H]2NCC1CC1,CHEMBL1082639,7.16
+CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@]21O,CHEMBL1082968,8.29
+O=C1CC[C@]23OCCN4CC[C@@]25c2c(ccc(O)c2O[C@@H]15)C[C@@H]43,CHEMBL1082971,7.14
+Cn1c(/C=C/C(=O)CCc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223773,9.03
+Cn1c(/C=C/C(=O)Cc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223774,8.95
+Cn1c(/C=C/C(=O)c2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223831,9.33
+Cc1occc1C(=O)/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223832,8.94
+CCCCCC(=O)/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223833,8.91
+Cn1c(CCC(=O)CCc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223834,9.47
+Cn1c(/C=C/c2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223889,8.42
+CCC/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223890,8.13
+C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(OC)c13,CHEMBL1253927,6.95
+CCO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1cccc(O)c13,CHEMBL1253928,7.48
+C=CCN1CC[C@]23CC(=O)CC[C@@]2(OC)[C@H]1Cc1cccc(OC)c13,CHEMBL610893,6.25
+CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,CHEMBL1255022,7.99
+C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254685,6.96
+C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254768,6.3
+C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254769,6.58
+CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1,CHEMBL1254857,7.15
+C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254858,6.63
+C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254940,6.87
+C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1254941,6.37
+C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1255026,6.21
+C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2,CHEMBL1253767,6.47
+CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1,CHEMBL1253768,6.47
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL1270282,6.82
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270382,6.91
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270185,6.25
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270383,8.24
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL1270474,7.31
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270475,8.71
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL1270573,7.47
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccccc1,CHEMBL1672475,9.87
+CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)C(=O)c1ccccc1,CHEMBL1672474,9.49
+O=C(Cc1ccccc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672471,9.91
+O=C(/C=C/c1ccoc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672472,9.83
+Cc1ccc(C(=O)NC[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)cc1,CHEMBL1672469,9.88
+Cc1cccc(C(=O)NC[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)c1,CHEMBL1672468,9.9
+Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672470,9.92
+Cc1ccc(C(=O)N(C)C[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)cc1,CHEMBL1672476,9.15
+CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672477,9.64
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672478,9.97
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccc(O)cc1,CHEMBL1672479,9.42
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1cccc(O)c1,CHEMBL1672473,10.12
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccccc1O,CHEMBL1672480,10.06
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1cccc(F)c1,CHEMBL1672481,10.09
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1,CHEMBL1672482,8.98
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CCc1ccccc1)C2)c1ccccc1,CHEMBL1672483,8.95
+O=C(CCc1ccccc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672484,10.08
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccc(O)cc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672485,8.64
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672486,9.94
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672487,9.85
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccc(O)cc1,CHEMBL1672488,9.27
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1O,CHEMBL1672489,8.74
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CCC1)C2)c1ccccc1,CHEMBL1672490,9.88
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccc(F)cc1,CHEMBL1672491,8.95
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1cccc(O)c1,CHEMBL1672492,9.16
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1F,CHEMBL1672493,8.07
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1cccc(F)c1,CHEMBL1672494,9.36
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,CHEMBL1782140,6.93
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O,CHEMBL1782141,6.35
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CC2CCCC(N3CCCC3)C1CN2Cc1ccccc1,CHEMBL1782987,6.46
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN2CC[C@H](N3CCCC3)[C@H]1C2,CHEMBL1782989,7.14
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1N2[C@H]4O[C@]3(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)[C@@H]2O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797514,7.66
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797515,8.0
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL1797516,7.96
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5C)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL1797517,7.79
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)O[C@@H]1N2[C@H]4O[C@]3(CC[C@H]4[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)[C@@H]2O[C@]12CC[C@H]1[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797518,7.36
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,8.44
+O=C1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL1797684,7.76
+CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc23)C1,CHEMBL1797685,6.59
+O=C1CCC23Cc4ccc(O)cc4C2(CCN(CC2(O)CC2)C3)C1,CHEMBL1797686,7.66
+CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C,CHEMBL1797687,10.52
+Oc1ccc2c3c1OC1C4(O)CC[C@@]5(OC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL1797688,9.47
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1797689,10.42
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834895,8.56
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@@H]3N1[C@H]2O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL1834896,6.47
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1CO[C@@H]3N1[C@H]2O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC(C)C)[C@H]1O5,CHEMBL1834897,6.93
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CCC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H]1O5,CHEMBL1834898,6.75
+Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1834899,8.06
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834900,8.2
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@H]2N1[C@@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL1834901,6.61
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834902,8.78
+Oc1ccc2c3c1O[C@H]1[C@](O)([C@H]4N=C[C@@]5(CC[C@@]6(O)[C@H]7Cc8ccc(O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)O4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1834903,8.93
+C/C(=C\CN(C)Cc1ccccc1)c1ccccc1,CHEMBL1917701,6.36
+COc1ccc(/C(C)=C/CN(C)Cc2ccccc2)cc1,CHEMBL1917702,6.71
+COc1cccc(/C(C)=C/CN(C)Cc2ccccc2)c1,CHEMBL1917703,6.52
+C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccccc1,CHEMBL1917711,6.72
+COc1ccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL1917712,6.8
+COc1cccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)c1,CHEMBL1917713,6.67
+CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13,CHEMBL1929362,6.29
+Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL1929363,7.83
+CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c13,CHEMBL1929364,6.58
+Oc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929365,7.76
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929366,7.3
+Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929367,7.75
+Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929368,8.97
+Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3,CHEMBL1929369,8.45
+Oc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(O)CO2,CHEMBL2016672,9.33
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@@]5(NC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016673,9.07
+Oc1ccc2c3c1O[C@H]1[C@]4(O)C=N[C@]5(CC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL2016674,8.85
+CN1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016675,9.54
+O=C(c1ccccc1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016676,9.47
+O=C(C1CC1)N1C[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2016677,8.0
+Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@]5([C@@H](C2)N(CC2CC2)CC[C@]315)N(CC1CC1)C4,CHEMBL2016678,9.72
+CN[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2016679,9.46
+CN(C(=O)CCc1ccccc1)[C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL2017141,8.15
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL2017142,9.08
+CN(C(=O)CCc1ccccc1)[C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL2017143,7.79
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL2017144,8.46
+O=C(Nc1ccccc1)[C@@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017145,7.87
+O=C(NCc1ccccc1)[C@@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017146,7.72
+O=C(NCCc1ccccc1)[C@@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017147,6.77
+O=C(Nc1ccccc1)[C@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017148,6.97
+O=C(NCCc1ccccc1)[C@H]1CCC23CCN(CC4CC4)CC2(Cc2ccc(O)cc23)C1,CHEMBL2017150,6.19
+O=C(Nc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13,CHEMBL2017151,7.33
+O=C(NCc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13,CHEMBL2017152,7.14
+O=C(NCCc1ccccc1)C1=CCC23CCN(CC4CC4)CC2(C1)Cc1ccc(O)cc13,CHEMBL2017153,6.6
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2CN(CC3CC3)CC[C@@H]2C1,CHEMBL2057688,4.72
+O=C1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057689,6.1
+CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057690,6.45
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057691,8.25
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2057692,7.9
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2057693,9.74
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL485583,8.55
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL483566,9.46
+CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147891,7.32
+CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147901,6.88
+CN1CC[C@]23Cc4nc5cc(Cl)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147902,6.4
+CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147903,6.9
+CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147904,7.22
+CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147905,6.71
+CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147906,6.39
+CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147907,6.81
+Cc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147908,7.14
+Cc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147909,7.31
+Cc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147910,6.73
+Cc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147911,6.77
+CN1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147912,7.81
+CN1CC[C@]23Cc4nc5ccc(O)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147913,7.64
+CN1CC[C@]23Cc4[nH]c5cc(=O)ccc-5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147914,7.66
+CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147915,7.17
+COc1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147916,7.09
+COc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147917,7.11
+COc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147918,7.11
+COc1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147919,5.76
+CN1CC[C@]23Cc4nc5cccc(C(F)(F)F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147920,7.01
+CN1CC[C@]23Cc4nc5ccc(C(F)(F)F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147921,7.01
+CN1CC[C@]23Cc4nc5c(C(F)(F)F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147923,6.47
+CN1CC[C@]23Cc4nc5cccc([N+](=O)[O-])c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147924,7.43
+CN1CC[C@]23Cc4nc5ccc([N+](=O)[O-])cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147925,7.18
+CN1CC[C@]23Cc4nc5cc([N+](=O)[O-])ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147926,6.55
+CN1CC[C@]23Cc4nc5c([N+](=O)[O-])cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,CHEMBL2147927,6.78
+CN(C)c1cccc2nc3c(cc12)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147928,6.56
+CN(C)c1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3,CHEMBL2147929,6.46
+CN(C)c1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147930,6.41
+CN(C)c1cccc2cc3c(nc12)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3,CHEMBL2147931,6.46
+COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O,CHEMBL2159122,7.26
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2179263,8.59
+CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2179262,8.89
+COC(=O)/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2179261,8.55
+COC(=O)/C=C/C(=O)N[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2179260,8.72
+COC(=O)CCC(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179259,9.3
+COC(=O)/C=C/C(=O)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179258,9.1
+COC(=O)/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179264,9.3
+CCCC[C@@H](C(N)=O)N1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O,CHEMBL2181191,7.95
+CCCC[C@@H](C(N)=O)N1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O,CHEMBL2181193,8.95
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCCN)C(N)=O,CHEMBL2181196,7.94
+CCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,CHEMBL2181197,7.84
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCCN)C(N)=O,CHEMBL2181198,7.25
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O,CHEMBL2181199,7.01
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2181200,7.68
+CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O,CHEMBL2181201,7.79
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL2181202,7.65
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1CO[C@@H]3CO[C@H]2N31,CHEMBL2204029,6.96
+CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@@H]3OC2(C)C,CHEMBL2204028,7.62
+CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@H]3OC2(C)C,CHEMBL2204027,8.1
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@H]1CO[C@H]2CO[C@@H]4N21,CHEMBL2204026,8.23
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@@H]2CO[C@H]4N21,CHEMBL2204025,8.41
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205421,9.47
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205420,9.52
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL2205419,9.79
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL2205418,9.47
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205417,8.64
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205416,8.69
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL519367,9.15
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205415,7.84
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205414,8.65
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205413,9.15
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2205412,9.35
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204731,9.13
+CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1,CHEMBL2204730,8.96
+CN(CCC[C@]1(O)[C@H]2CCN(CC(F)(F)F)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315356,8.34
+CN(CCC[C@]1(O)[C@H]2CCN(CC(F)F)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315357,8.66
+CN(CCC[C@]1(O)[C@H]2CCN(CCF)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315358,9.29
+CC(C)CN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315359,9.23
+CCCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315360,9.48
+CCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1,CHEMBL2315361,9.2
+CN(CCC[C@]1(O)[C@H]2CCN(C)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1,CHEMBL2315362,9.13
+CCC[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338735,8.7
+CCCCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338755,8.33
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338743,9.4
+CCCCC[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338736,8.26
+CCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338754,8.92
+CC(=O)N1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387740,9.51
+CC(=O)N1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387739,9.03
+CC(=O)N1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387738,8.22
+CC(=O)N1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387737,8.57
+O=C(Nc1ccccc1)[C@@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387736,8.13
+O=C(Nc1ccccc1)[C@H]1N(CC(F)(F)F)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2387735,8.16
+O=C(Nc1ccccc1)[C@@H]1N(Cc2ccccc2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215911,8.45
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387733,9.52
+O=C(C[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3215910,8.85
+O=C(Nc1ccccc1)[C@@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215909,8.73
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL2387730,9.46
+O=C(C[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL2387729,9.33
+O=C(Nc1ccccc1)[C@H]1N(CC2CC2)[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3215686,8.4
+CN1[C@@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387727,9.7
+CN1[C@@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387726,9.82
+CN1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216580,9.49
+CN1[C@H](CC(=O)NCc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2387724,9.82
+CN1[C@H](CC(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3216802,9.64
+CN1[C@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3217022,9.44
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3215908,10.43
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216579,9.96
+O=C(Nc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3216338,9.96
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1,CHEMBL3216801,9.96
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)Nc1ccccc1,CHEMBL3216131,8.99
+O=C(NCc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217021,9.64
+O=C(Nc1ccccc1)[C@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL3217020,9.66
+NC(=O)[C@@H]1CNC(=S)NC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1,CHEMBL2402936,7.27
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038177,8.69
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038181,7.61
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038180,8.65
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038179,8.77
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038185,7.4
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,CHEMBL3038184,7.45
+Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL3038186,5.65
+Oc1ccc2c(c1)[C@]13CCN(CC(F)F)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215944,6.06
+Oc1ccc2c(c1)[C@]13CCN(CC(F)(F)F)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3092400,6.09
+CCOCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215946,6.12
+COCCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215715,6.4
+Oc1ccc2c(c1)[C@]13CCN(C[C@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215718,7.05
+OCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216603,7.23
+CCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216835,7.23
+Oc1ccc2c(c1)[C@]13CCN(CCF)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216602,7.23
+C[C@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216156,7.25
+CCOCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216840,7.43
+CCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216601,7.59
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccco4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215943,7.67
+COCCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3216837,7.8
+COCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3215714,7.83
+Oc1ccc2c(c1)[C@]13CCN(Cc4ccoc4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3217260,8.08
+C[C@@H](O)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)C1Cc1ccc(O)cc13,CHEMBL3217264,8.59
+Oc1ccc2c(c1)[C@]13CCN(C[C@@H]4CCCO4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3216841,8.88
+Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C(C2)[C@]1(O)Cc1cc2ccccc2nc1C3,CHEMBL3215947,9.14
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236671,8.33
+Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(=O)O)c(C)c1,CHEMBL3236672,7.32
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c(C)cccc1C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236673,9.63
+CCc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236674,9.02
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236675,8.8
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236676,7.72
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236677,7.78
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL3236678,7.65
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262360,8.82
+COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]12CC[C@]1(O)[C@H]3[C@H](O2)C(=O)N1Cc1ccccc1,CHEMBL3264741,6.61
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264742,8.29
+CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264743,6.7
+CC(C)CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264744,6.92
+C=CCN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5,CHEMBL3264745,7.25
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,CHEMBL3264746,6.23
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1c1ccccc1,CHEMBL3264747,8.77
+O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1CCc1ccccc1,CHEMBL3264748,8.71
+O=C(C[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339372,9.96
+O=C1C[C@@H]2N(CN1Cc1ccccc1)[C@@]13CC[C@]2(O)C2Oc4c(O)ccc5c4C21CCN(CC1CC1)C3C5,CHEMBL3339373,8.11
+O=C(C[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1,CHEMBL3339374,10.43
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+O=C(NCc1ccccc1)[C@@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5,CHEMBL3339381,9.74
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+CC(C)CC(CN)NCC(Cc1ccccc1)N(C)CCCCCNCC(N)Cc1ccc(O)cc1,CHEMBL3326772,5.79
+CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S,CHEMBL3326771,5.02
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+O=C(O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323524,6.77
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+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccccc4)N2C[C@@H]3Cc2ccccc2)cc1,CHEMBL3589702,5.08
+CC(C)C[C@H]1CN2C(=N1)CC1=NC[C@H](Cc3ccccc3)N1C[C@@H]2Cc1ccc(O)cc1,CHEMBL3589704,5.46
+CC(C)C[C@H]1CN2C(=CC3=NC[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1,CHEMBL3589705,6.19
+Oc1ccc(C[C@H]2CN3C(=N2)CC2=NC[C@H](Cc4ccccc4)N2C[C@@H]3Cc2ccc(O)cc2)cc1,CHEMBL3589706,5.38
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+CC(C)C[C@H]1CN2C(=N1)CC1=NC[C@H](C(C)C)N1C[C@@H]2Cc1ccccc1,CHEMBL3589708,5.97
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+CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21,CHEMBL3589794,5.72
+CC(C)C[C@H]1CN2C(=N1)CC1=NC[C@H](C(C)C)N1C[C@@H]2Cc1ccc(O)cc1,CHEMBL3589795,6.68
+CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1,CHEMBL3589796,7.64
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+CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3822676,7.24
+Cc1cc(O)c(C)c(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL3823054,6.42
+N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL60444,5.37
diff --git a/chembl_200/CHEMBL4005.csv b/chembl_200/CHEMBL4005.csv
new file mode 100644
index 0000000000000000000000000000000000000000..21d4fc6a8815a98feb82cbe7d87c5d1e40340283
--- /dev/null
+++ b/chembl_200/CHEMBL4005.csv
@@ -0,0 +1,966 @@
+COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O,CHEMBL428496,6.92
+O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,CHEMBL98350,5.22
+COc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1,CHEMBL1668263,7.0
+COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1,CHEMBL1668264,9.3
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668265,5.34
+Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1,CHEMBL1668266,8.15
+Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668267,7.82
+Cc1nc(N)c2cc(CN(C)C)cc(C(=O)Nc3ccn[nH]3)c2n1,CHEMBL1668268,6.73
+Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1,CHEMBL1668269,9.3
+Cc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1,CHEMBL1668270,5.34
+Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1,CHEMBL1668271,9.3
+Cc1nc(N)c2cccc(C(=O)Nc3ccc(N(C)C)nc3)c2n1,CHEMBL1668272,7.27
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccc(N(C)C)nc3)c2n1,CHEMBL1668273,7.0
+Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)c2nc(C)nc(N)c2c1,CHEMBL1668274,7.92
+Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1,CHEMBL1668275,9.0
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1,CHEMBL1668276,6.2
+Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1,CHEMBL1668277,9.52
+Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1,CHEMBL1667869,8.22
+Cc1nc(N)c2ccc(C)c(C(=O)Nc3cn[nH]c3)c2n1,CHEMBL1668278,7.0
+Cc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)nc(N)c2c1,CHEMBL1668279,8.3
+N#CCNc1ncnc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1,CHEMBL1615182,6.46
+Cc1nc(NCC#N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1,CHEMBL1762782,7.8
+CSc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1,CHEMBL1615188,7.28
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccccc4)n3)cc2s1,CHEMBL1773583,7.4
+CC(=O)Nc1nc2ccc(-c3ccnc(SCc4ccccc4)n3)cc2s1,CHEMBL1773584,7.33
+CC(=O)Nc1nc2ccc(-c3ccnc(Oc4ccccc4)n3)cc2s1,CHEMBL1773585,6.99
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccccc4)n3)cc2s1,CHEMBL1773586,6.98
+CC(=O)Nc1nc2ccc(-c3ccnc(Nc4ccccc4)n3)cc2s1,CHEMBL1773587,5.21
+CC(=O)Nc1nc2ccc(-c3ccnc(NCc4ccccc4)n3)cc2s1,CHEMBL1773588,7.07
+CC(=O)Nc1nc2ccc(-c3ccnc(Cc4ccccc4)n3)cc2s1,CHEMBL1773589,6.22
+CC(=O)Nc1nc2ccc(-c3ccnc(CCc4ccccc4)n3)cc2s1,CHEMBL1773590,6.0
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccccc4F)n3)cc2s1,CHEMBL1773591,7.34
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4cccc(F)c4)n3)cc2s1,CHEMBL1773592,7.51
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccc(F)cc4)n3)cc2s1,CHEMBL1773593,7.36
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccccc4C)n3)cc2s1,CHEMBL1773594,7.51
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4cccc(C)c4)n3)cc2s1,CHEMBL1773595,7.28
+CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccc(C)cc4)n3)cc2s1,CHEMBL1773596,7.23
+COc1ccccc1Sc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1,CHEMBL1773597,6.84
+COc1cccc(Sc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)c1,CHEMBL1773598,7.32
+COc1ccc(Sc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773559,7.74
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(F)c4)n3)cc2s1,CHEMBL1773560,7.21
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(C)c4)n3)cc2s1,CHEMBL1773561,7.33
+COc1cccc(COc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)c1,CHEMBL1773077,7.74
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccc(F)cc4)n3)cc2s1,CHEMBL1773562,6.85
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccc(C)cc4)n3)cc2s1,CHEMBL1773563,7.24
+COc1ccc(COc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773564,7.24
+CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccncc4)n3)cc2s1,CHEMBL1773565,6.89
+CC(=O)Nc1nc2ccc(-c3ccnc(OCCCc4ccncc4)n3)cc2s1,CHEMBL1773566,6.94
+CC(=O)Nc1nc2ccc(-c3ccnc(OCCCc4cccnc4)n3)cc2s1,CHEMBL1773567,6.95
+CC(=O)Nc1nc2ccc(-c3ccnc(OCCCc4ccccc4)n3)cc2s1,CHEMBL1773568,7.49
+CC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOCC4)n3)cc2s1,CHEMBL1773569,6.83
+CC(=O)Nc1nc2ccc(-c3ccnc(OCCN4CCOCC4)n3)cc2s1,CHEMBL1773570,5.81
+COCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1,CHEMBL1773571,6.48
+CC(=O)Nc1nc2ccc(-c3ccnc(NC(C)(C)c4ccccc4)n3)cc2s1,CHEMBL1773572,7.62
+COc1ccc(C(=O)Nc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773573,5.5
+COc1ccc(S(=O)(=O)Nc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773574,6.93
+COc1ccc(S(=O)(=O)N(C)c2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773575,7.12
+CCN(c1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1)S(=O)(=O)c1ccc(OC)cc1,CHEMBL1773576,7.21
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccccc4F)n3)cc2s1,CHEMBL1773577,7.39
+CC(=O)Nc1nc2ccc(-c3ccnc(N(C)S(=O)(=O)c4ccccc4F)n3)cc2s1,CHEMBL1773578,7.19
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4cccc(F)c4)n3)cc2s1,CHEMBL1773579,7.08
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(F)cc4)n3)cc2s1,CHEMBL1773580,6.08
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(C)cc4)n3)cc2s1,CHEMBL1773581,7.09
+CC(=O)Nc1nc2ccc(-c3ccnc(N(C)S(=O)(=O)c4ccc(C)cc4)n3)cc2s1,CHEMBL1773582,7.42
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)ccn2)cc1,CHEMBL1773558,7.89
+COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)c2)cc1,CHEMBL1773599,8.8
+COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,CHEMBL1773600,8.05
+COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nc(NC(C)=O)sc4c3)c2)cc1,CHEMBL1773601,7.32
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2C#N)cc1,CHEMBL1773602,8.85
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2C)cc1,CHEMBL1773603,8.92
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc2s1,CHEMBL1773605,8.85
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(F)c4)c3)cc2s1,CHEMBL1773736,8.96
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1,CHEMBL1615189,8.92
+CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccccc1Cl,CHEMBL1796271,7.795
+CC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2,CHEMBL1796273,8.87
+COC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2,CHEMBL1796274,8.82
+CN(C(=O)c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2)c1ccccc1Cl,CHEMBL1796275,8.92
+CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2,CHEMBL1796276,8.8
+CN(C(=O)c1cc2c(s1)-c1ccc(C(=O)N3CCOCC3)cc1OCC2)c1ccccc1Cl,CHEMBL1796756,7.51
+CN(C(=O)c1cc2c(s1)-c1ccc(-c3cn[nH]c3)cc1OCC2)c1ccccc1Cl,CHEMBL1796757,9.22
+CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccncc1Cl,CHEMBL1796758,6.33
+CN(C(=O)c1cc2c(s1)-c1ccc(-c3cn[nH]c3)cc1OCC2)c1ccncc1Cl,CHEMBL1796759,7.19
+CNC(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(C(=O)NC)cc2OCC3)c(Cl)c1,CHEMBL1796760,8.6
+CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N(C)C)cc3Cl)sc1-2,CHEMBL1796761,8.565
+Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1,CHEMBL1822052,8.25
+O=S(=O)(Nc1cc(-c2ccc3ncsc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822053,7.89
+CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,CHEMBL1822054,8.85
+Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,CHEMBL1822055,7.96
+O=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822056,8.21
+CC(=O)Nc1cn2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,CHEMBL1822057,8.92
+Nc1cn2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,CHEMBL1822058,8.55
+O=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822059,7.64
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2[nH]1,CHEMBL1822060,8.48
+Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2[nH]1,CHEMBL1822208,6.92
+O=S(=O)(Nc1cc(-c2ccc3nc[nH]c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822209,7.17
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1,CHEMBL1822210,7.33
+Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1,CHEMBL1822211,8.14
+O=S(=O)(Nc1cc(-c2ccc3ncoc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822212,7.59
+O=S(=O)(Nc1cc(-c2ccc3nncn3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822213,7.29
+O=S(=O)(Nc1cc(-c2ccc3sncc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1822214,7.12
+O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCN(Cc5ccncc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914724,9.05
+CN(C)c1ccc(-c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc23)cc1,CHEMBL1914728,9.15
+O=S(=O)(Nc1cc(-c2ccc3ncc(NCCc4ccccc4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914734,9.1
+O=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914736,8.92
+COCCNc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1,CHEMBL1914729,9.05
+CN(Cc1ccccc1)c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1,CHEMBL1914732,8.85
+O=S(=O)(Nc1cc(-c2ccc3nccc(-c4cccnc4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914726,9.15
+CC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1,CHEMBL1914742,9.1
+O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCC(F)(F)CC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914739,9.22
+O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914738,9.05
+O=S(=O)(Nc1cc(-c2ccc3nnccc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914717,7.42
+O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCC(O)CC4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914721,9.05
+O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914727,9.1
+O=S(=O)(Nc1cc(-c2ccc3ncc(N4C[C@H]5CC[C@H](CC5)C4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914740,9.0
+O=S(=O)(Nc1cc(-c2ccc3ncc(NCC4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914731,9.1
+CC(C)N1CCN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc23)CC1,CHEMBL1914722,8.74
+O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914743,9.1
+O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCN(Cc5ccccc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914723,9.0
+COCCN(C)c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1,CHEMBL1914730,9.0
+O=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914735,8.51
+O=S(=O)(Nc1cc(-c2ccc3nccnc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914715,8.51
+O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCCCC4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914720,8.72
+COC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1,CHEMBL1914741,8.85
+O=S(=O)(Nc1cc(-c2ccc3ncccc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914710,8.68
+O=S(=O)(Nc1cc(-c2ccc3ncccc3n2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914712,8.29
+O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccccc4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914725,8.89
+O=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914947,9.0
+O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1738719,9.22
+O=S(=O)(Nc1cc(-c2ccc3ncc(NCC4CCCNC4)nc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914733,8.48
+CN(C)c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1,CHEMBL1914737,8.77
+O=S(=O)(Nc1cc(-c2ccc3ncncc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914716,8.59
+CN(C)c1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12,CHEMBL1914719,8.24
+COCCNc1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12,CHEMBL1914718,7.16
+O=S(=O)(Nc1cc(-c2ccc3cnccc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914711,6.43
+O=S(=O)(Nc1cc(-c2cc3cccnc3cn2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914713,6.7
+O=S(=O)(Nc1cc(-c2cnc3ncccc3c2)cnc1Cl)c1ccc(F)cc1,CHEMBL1914714,6.07
+Cc1c(CN2CCN(C(=O)CO)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922093,8.55
+Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL1922094,8.3
+CS(=O)(=O)N1CCC(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1,CHEMBL1949915,9.4
+CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3cc(C(=O)N(C)C)ccc3Cl)sc1-2,CHEMBL1796763,8.52
+CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1,CHEMBL1949910,9.0
+c1cc(-c2nc(N3CCOCC3)c3ccsc3n2)c2c[nH]nc2c1,CHEMBL1949911,7.33
+Nc1ncc(-c2nc(N3CCOCC3)c3ccsc3n2)cn1,CHEMBL1949912,8.05
+CN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1,CHEMBL1949913,8.3
+Nc1ncc(-c2nc(N3CCOCC3)c3cc(CC4CCN(CC(F)(F)F)CC4)sc3n2)cn1,CHEMBL1949914,8.7
+CS(=O)(=O)C1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1,CHEMBL1949916,9.0
+CN(Cc1cc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2s1)S(C)(=O)=O,CHEMBL1949917,8.7
+CN(C)C(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1,CHEMBL1949918,8.7
+CS(=O)(=O)c1cccc(-c2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)c1,CHEMBL1949919,9.0
+CN(C(=O)c1cc2c(s1)-c1ccc(-c3cc[nH]n3)cc1OCC2)c1ccccc1Cl,CHEMBL1949920,8.52
+CN(C(=O)c1cc2c(s1)-c1ccc(C#N)cc1OCC2)c1ccccc1Cl,CHEMBL1949921,7.96
+CCNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2,CHEMBL1949922,8.4
+CNCc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2,CHEMBL1949923,8.4
+CN(C(=O)c1cc2c(s1)-c1ccc(C(=O)NCCN)cc1OCC2)c1ccccc1Cl,CHEMBL1949924,8.4
+CN(C(=O)c1cc2c(s1)-c1ccc(-c3cccc(CC(=O)O)c3)cc1OCC2)c1ccccc1Cl,CHEMBL1949925,7.52
+CN(C(=O)c1cc2c(s1)-c1ccc(-c3cccc(CN)c3)cc1OCC2)c1ccccc1Cl,CHEMBL1949926,7.64
+CN(C(=O)c1cc2c(s1)-c1cc(C(N)=O)ccc1OCC2)c1ccccc1Cl,CHEMBL1950034,9.0
+CCNC(=O)c1ccc2c(c1)-c1sc(C(=O)N(C)c3ccccc3Cl)cc1CCO2,CHEMBL1950035,9.0
+CN(C(=O)c1cc2c(s1)-c1cc(C#N)ccc1OCC2)c1ccccc1Cl,CHEMBL1950036,8.52
+CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N4CCN(C)CC4)cc3Cl)sc1-2,CHEMBL1950037,8.3
+CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3cc(C(=O)N4CCN(C)CC4)ccc3Cl)sc1-2,CHEMBL1950038,7.32
+N#Cc1c(N2CCOCC2)sc(C(=O)O)c1-c1ccc(Cl)cc1,CHEMBL570592,6.64
+N#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1ccc(Cl)cc1,CHEMBL2017647,7.89
+COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,CHEMBL1234354,9.24
+N#Cc1c(N2CCOCC2)sc(-c2nnc[nH]2)c1-c1ccc(Cl)cc1,CHEMBL2017648,8.77
+N#Cc1c(N2CCOCC2)sc(-c2cc[nH]n2)c1-c1ccc(Cl)cc1,CHEMBL2017649,8.74
+N#Cc1c(N2CCOCC2)sc(-c2cn[nH]n2)c1-c1ccc(Cl)cc1,CHEMBL2017650,8.52
+N#Cc1c(N2CCOCC2)sc(-c2cn[nH]c2)c1-c1ccc(Cl)cc1,CHEMBL2017651,6.76
+Cc1nnc(-c2sc(N3CCOCC3)c(C#N)c2-c2ccc(Cl)cc2)o1,CHEMBL2017652,5.89
+N#Cc1c(N2CCOCC2)sc(-c2nnc[nH]2)c1-c1ccc(Cl)cc1Cl,CHEMBL2017653,9.46
+N#Cc1ccc(-c2c(-c3nnc[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1,CHEMBL2017654,9.22
+COCCNC(=O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn2c1C,CHEMBL2058172,8.622
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)C3)cc1,CHEMBL2063751,6.29
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4C[C@@H]5CC[C@H](C4)O5)n2)CS(=O)(=O)CC3)cc1,CHEMBL2063759,5.52
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@H]4C)n2)CS(=O)(=O)C3)cc1,CHEMBL2063752,5.84
+CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CS(=O)(=O)C3)cc1,CHEMBL2063753,5.9
+CC(=O)Nc1nc(C)c(-c2ccc(S(N)(=O)=O)cc2)s1,CHEMBL2071326,6.96
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)cc2)s1,CHEMBL2071327,6.7
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Cl)c2)s1,CHEMBL2071328,7.46
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Br)c2)s1,CHEMBL2071329,7.96
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1,CHEMBL2071330,6.91
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C#N)c2)s1,CHEMBL2071331,7.35
+CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1,CHEMBL2071332,7.55
+CC(=O)Nc1nc(C)c(-c2ccc(-n3cccn3)cc2)s1,CHEMBL2071333,7.52
+CC(=O)Nc1nc(C)c(-c2ccc(C(C)=O)cc2)s1,CHEMBL2071334,6.72
+Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)cc1,CHEMBL2071335,6.73
+Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1,CHEMBL2071336,7.3
+Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1,CHEMBL2071337,7.7
+Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(-n2cccn2)cc1,CHEMBL2071338,8.3
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)no1,CHEMBL2071340,6.96
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.82
+Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(S(C)(=O)=O)c(F)c1,CHEMBL2071341,5.67
+CC(=O)c1ccc(-c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C)cc1,CHEMBL2069328,5.72
+CCn1nnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)n1,CHEMBL2071342,5.85
+CS(=O)(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1,CHEMBL2087474,8.7
+CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1,CHEMBL2087493,8.61
+COc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165007,8.61
+COc1ccc(Nc2ncc(Cc3ccccc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165006,7.21
+COc1ccc(Nc2ncc(CN3CCS(=O)(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165005,7.14
+COc1ccc(Nc2ncc(CN3CCC(S(C)(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165004,7.8
+COc1ccc(Nc2ncc(CN3CCCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165003,7.48
+COc1ccc(Nc2ncc(CC3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165020,8.05
+COc1ccc(Nc2ncc(CN3CCC(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165019,7.66
+COc1ccc(Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165018,7.77
+COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165017,8.05
+COc1ccc(Nc2ncc(CN3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165016,7.08
+COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc(N)n3)c2)CC1,CHEMBL2165015,7.03
+COc1ccc(Nc2ncc(CN3CCN(C)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165014,6.59
+COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165013,7.21
+COc1ccc(Nc2ncc(CN3CC[C@@H](CO)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165012,6.555
+COc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165011,6.7
+COc1ccc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165010,6.99
+COc1ccc(Nc2ncc(CN3CCCCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165009,6.82
+COc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165008,6.575
+COc1ccc(Nc2ncc(CN3CCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165034,6.8
+COc1ccc(Nc2ncc(-c3cnn(C)c3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165033,8.1
+COc1ccc(Nc2ncc(-c3ccc(C)nc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165032,8.1
+COc1ccc(Nc2ncc(N3CCN(C)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165031,7.41
+COc1ccc(Nc2ncc(C3=CCOCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165030,8.3
+COc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165029,7.66
+COCCNCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2165028,6.55
+COCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2165027,7.31
+COc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165026,7.2
+COc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2165025,7.26
+COc1ccc(Nc2ncc(C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165024,6.62
+COc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165023,6.605
+COc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)cn1,CHEMBL2165021,7.075
+COc1ccc(Nc2nccnc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165050,6.385
+COc1ccc(Nc2cccnc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165048,5.89
+COc1ccc(Nc2cnccc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165047,6.135
+COc1ccc(Nc2ccccc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165046,6.295
+Cc1cc(-c2cccnc2Nc2cccc(O)c2)nc(N)n1,CHEMBL2165045,5.31
+Cc1nc(-c2cccnc2Nc2cccc3n[nH]cc23)c2c[nH]nc2n1,CHEMBL2165042,5.81
+COc1ccc(Nc2ncccc2-c2ncnc3nc[nH]c23)cn1,CHEMBL2165041,5.11
+COc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL2165039,7.19
+Cc1nc(-c2cccnc2Nc2cccc3[nH]ccc23)c2[nH]cnc2n1,CHEMBL2165038,6.73
+Cc1nc(-c2cccnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL2165037,7.425
+Nc1cc(-c2cccnc2Nc2cccc3n[nH]cc23)nc(C(F)(F)F)n1,CHEMBL2165036,5.495
+Cc1nc(N)c(F)c(-c2cccnc2Nc2cccc3n[nH]cc23)n1,CHEMBL2165035,6.065
+Cc1nc(N)cc(-c2cccnc2Nc2cccc3n[nH]cc23)n1,CHEMBL2165271,6.855
+Cc1nc(N)cc(-c2cccnc2Nc2cccc(O)c2)n1,CHEMBL2165270,7.585
+COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cn1,CHEMBL2165269,6.965
+Cc1nc(N)nc(-c2cccnc2Nc2cccc3[nH]ccc23)n1,CHEMBL2165268,6.715
+Cc1nc(N)nc(-c2cccnc2Nc2cccc3n[nH]cc23)n1,CHEMBL2165053,7.26
+Cc1nc(N)nc(-c2cccnc2Nc2cccc(O)c2)n1,CHEMBL2165052,7.905
+Cc1ncnc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1,CHEMBL2165051,8.7
+Cc1nc2ccccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL2171932,6.44
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL2171918,7.52
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccncc3)cc21,CHEMBL2171926,5.3
+COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1,CHEMBL2178608,8.7
+COC(C)(C)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1,CHEMBL2178606,9.0
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(N)c2)n1,CHEMBL2206911,6.465
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(N(C)S(C)(=O)=O)c2)n1,CHEMBL2206910,6.51
+Cc1nc(N)nc(-c2cc(CN3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL2206909,8.72
+Cc1nc(N)nc(-c2cc(CN3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL2206908,8.205
+Cc1nc(N)nc(-c2cc(C3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL2206907,8.7
+COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2206905,7.925
+COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2206904,7.94
+COc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL2206903,8.055
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)n1,CHEMBL2206902,8.07
+COCCN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl,CHEMBL2206901,7.54
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)c3cccnc3)c2)n1,CHEMBL2206922,7.89
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1,CHEMBL2206919,6.93
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL2206918,8.46
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)n1,CHEMBL2206917,7.825
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C(C)C)c2)n1,CHEMBL2206916,7.365
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL2206915,7.96
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)C3CC3)c2)n1,CHEMBL2206914,8.09
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL2206913,7.7
+CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(-c4ncnn4CC(F)(F)F)nc2-3)cn1,CHEMBL2381379,9.85
+CC(C)n1c(-c2nc3c(s2)CCOc2cc(-c4cnn(CC(C)(C)O)c4)ccc2-3)n[nH]c1=O,CHEMBL2381381,9.74
+CC(C)n1nc(N)nc1-c1nc2c(s1)CCOc1cc(-c3cnn(CC(C)(C)O)c3)ccc1-2,CHEMBL2381380,9.89
+CC(C)n1nc(N)nc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCO)c3)ccc1-2,CHEMBL2381382,10.4
+Cc1nc(-c2nc3c(s2)CCOc2cc(-c4cnn(CCO)c4)ccc2-3)n(C(C)C)n1,CHEMBL2381378,9.74
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(C(C)(C)C(N)=O)c3)ccc1-2,CHEMBL2381377,9.96
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCN)c3)ccc1-2,CHEMBL2381376,10.22
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CS(C)(=O)=O)c3)ccc1-2,CHEMBL2381375,10.22
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CC(C)(C)O)c3)ccc1-2,CHEMBL2381374,9.82
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCO)c3)ccc1-2,CHEMBL2381373,9.57
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(C)(C)C(N)=O)C3)ccc1-2,CHEMBL2381279,9.33
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(=O)C(C)(C)N)C3)ccc1-2,CHEMBL2381278,9.03
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(=O)CO)C3)ccc1-2,CHEMBL2381277,9.21
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CC(C)(C)O)C3)ccc1-2,CHEMBL2381276,9.05
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C[C@H](O)CO)C3)ccc1-2,CHEMBL2381275,9.16
+CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CCO)C3)ccc1-2,CHEMBL2381274,8.72
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2387080,9.53
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(CC(C)(C)O)c3)cc1OCC2,CHEMBL2387079,9.85
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2386972,9.52
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C5CN(C(=O)[C@H](C)O)C5)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2386971,9.47
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C5CN(CCO)C5)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2386970,9.96
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(CCO)c3)cc1OCC2,CHEMBL2387086,9.77
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2387083,9.4
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4)cc2OCC3)n(C(C)C)n1,CHEMBL2387082,9.54
+Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n(C)n1,CHEMBL2387085,8.55
+Cc1nnc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)[nH]1,CHEMBL2387084,7.68
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cn[nH]c3)cc1OCC2,CHEMBL2387081,9.51
+CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)c(C)c2n1,CHEMBL2414295,6.8
+CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)n(C)c2n1,CHEMBL2414294,6.63
+CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)(C)C(N)=O)CC3)n(C)c2n1,CHEMBL2171939,6.96
+CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4C[C@H]3CO4)c3c(cnn3C)n2)cc1,CHEMBL2418351,5.29
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(n2)c(C)nn3C)cc1,CHEMBL2418350,5.24
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3CC)c3c(cnn3C)n2)cc1,CHEMBL2418349,5.47
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ncn(CC)c3n2)cc1,CHEMBL2418340,6.42
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)nc(C(C)(C)O)n3C)cc1,CHEMBL2418338,5.15
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ncn(C)c3n2)cc1,CHEMBL2418337,6.43
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C(C)(C)O)n(C)c3n2)cc1,CHEMBL2418354,6.41
+CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C(C)(C)O)n(CCO)c3n2)cc1,CHEMBL2418353,6.72
+CC(C)(O)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1CCO,CHEMBL2418352,8.7
+C=C1NC(N)=NC2C1C=C(c1ccc(OC)nc1)C(=O)N2[C@H]1CC[C@H](OCCO)CC1,CHEMBL3218579,9.24
+CCn1cnc(CCNC(=O)Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1,CHEMBL3356899,6.95
+COc1cncc(-c2ccc3nc(NC(=O)NCCc4cn(C)cn4)sc3c2)c1,CHEMBL3356898,6.98
+COc1cncc(-c2ccc3nc(NC(=O)NCCc4cnc[nH]4)sc3c2)c1,CHEMBL3356897,7.7
+COc1cncc(-c2ccc3nc(NC(=O)NCCC(=O)NCC(F)(F)F)sc3c2)c1,CHEMBL3356896,7.14
+COc1cncc(-c2ccc3nc(NC(=O)NCC(=O)NCC(F)(F)F)sc3c2)c1,CHEMBL3356895,8.15
+COc1cncc(-c2ccc3nc(NC(=O)NCCCN(C)C)sc3c2)c1,CHEMBL3356894,7.25
+CCNC(=O)Nc1nc2ccc(-c3cncc(OC)c3)cc2s1,CHEMBL3356893,7.28
+COc1cncc(-c2ccc3nc(NC(=O)N(C)C)sc3c2)c1,CHEMBL3356892,7.8
+CCCn1cnc(CCNC(=O)Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1,CHEMBL3356900,6.88
+COc1cncc(-c2ccc3nc(NC(=O)NCCc4cncn4C)sc3c2)c1,CHEMBL3356901,7.17
+Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nn[nH]n4)n3)c2c1,CHEMBL3401975,5.74
+O=P(O)(O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401977,6.07
+O=c1[nH]c(=O)n(C[C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1,CHEMBL3401978,5.82
+O=c1cc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)[nH]o1,CHEMBL3401979,6.06
+O=c1cc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o[nH]1,CHEMBL3401981,5.89
+OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401984,5.59
+COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1,CHEMBL3618231,7.54
+CCOc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1,CHEMBL3618232,6.83
+COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F,CHEMBL3618233,7.85
+Cc1nc(N)nc(-c2c(Nc3ccc4ncccc4c3)nc3ccccn23)n1,CHEMBL3618234,6.28
+Cc1nc(N)nc(-c2c(Nc3ccc4ccncc4c3)nc3ccccn23)n1,CHEMBL3618235,7.27
+Cc1nc(N)nc(-c2c(Nc3ccc4cccnc4c3)nc3ccccn23)n1,CHEMBL3618236,7.37
+Cc1nc(N)nc(-c2c(Nc3cccc4n[nH]cc34)nc3ccccn23)n1,CHEMBL3618237,8.25
+COc1ncc(Nc2nc3ccc(N4CCNCC4)cn3c2-c2nc(C)nc(N)n2)cc1F,CHEMBL3618238,8.24
+COc1ccc(Nc2nc3ccc(N4CCNCC4)cn3c2-c2nc(C)nc(N)n2)cn1,CHEMBL3618239,7.37
+COc1ncc(Nc2nc3ccc(N4CCN(C(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F,CHEMBL3618240,8.19
+COCCN1CCN(c2ccc3nc(Nc4cnc(OC)c(F)c4)c(-c4nc(C)nc(N)n4)n3c2)CC1,CHEMBL3618241,8.2
+COc1ccc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cn1,CHEMBL3618242,8.08
+COc1ncc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F,CHEMBL3618243,8.21
+COc1ccc(Nc2nc3ccc(C(C)(C)O)cn3c2-c2nc(C)nc(N)n2)cn1,CHEMBL3618244,7.59
+COc1ncc(Nc2nc3ccc(C(C)(C)O)cn3c2-c2nc(C)nc(N)n2)cc1F,CHEMBL3618245,7.96
+Cc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1,CHEMBL3649423,6.9
+O=S(=O)(Nc1cncc(-c2cnc3ccccn23)c1)c1ccc(F)cc1,CHEMBL3649424,5.89
+O=S(=O)(Nc1cc(-c2cnc3ccccn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649441,7.55
+Cc1ccn2c(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cnc2c1,CHEMBL3649442,7.72
+Cc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1,CHEMBL3649425,7.7
+O=S(=O)(Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649426,8.22
+O=S(=O)(Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649427,8.7
+O=S(=O)(Nc1cc(-c2cnc3ccc(-c4cccnc4)cn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649428,9.0
+O=S(=O)(Nc1cc(-c2cnc3ccc(N4CCOCC4)cn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649429,8.4
+COc1cc(-c2cnc3ccc(Br)cn23)cnc1OC,CHEMBL3649430,6.11
+COc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1OC,CHEMBL3649431,6.2
+COc1cc(-c2cnc3ccc(N4C(=O)OC[C@H]4Cc4ccccc4)cn23)cnc1OC,CHEMBL3649433,6.57
+COc1cc(-c2cnc3ccc(N4C(=O)OC[C@@H]4Cc4ccccc4)cn23)cnc1OC,CHEMBL3649434,6.54
+COc1cc(-c2cnc3ccc(N4CCOCC4)cn23)cnc1OC,CHEMBL3649435,5.97
+O=c1n(Cc2ccccc2)ccc2ncc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)n12,CHEMBL3649444,6.33
+CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl,CHEMBL3649445,9.0
+CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccnc(C(F)(F)F)c4)cn23)cnc1Cl,CHEMBL3649436,9.0
+CS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl,CHEMBL3649437,8.3
+CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4ccncc4)ccn23)cnc1Cl,CHEMBL3649438,7.82
+CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl,CHEMBL3649439,7.68
+Cc1cc2ncc(-c3cnc(Cl)c(NS(=O)(=O)N(C)C)c3)n2cc1-c1ccncc1,CHEMBL3649446,8.4
+O=S(=O)(Nc1cc(-c2cnc3ncccn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649447,6.42
+O=S(=O)(Nc1cc(-c2cnc3ccc(Cl)nn23)cnc1Cl)c1ccc(F)cc1,CHEMBL3649440,7.66
+Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL2171919,6.81
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL2171923,7.74
+Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL2171920,7.57
+Cc1c(-c2cccc(C#N)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698285,6.81
+Cc1c(-c2ccccn2)nc2c(F)cccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698286,7.03
+Cc1c(-c2ccncc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698287,6.63
+Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698288,7.32
+CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698289,8.23
+Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698290,7.84
+Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC(C)(C)c3ncc(N4CCOCC4)cc32)c1C,CHEMBL3698291,8.39
+COCCN(C)c1cnc2c(c1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC2(C)C,CHEMBL3698292,7.25
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3cn[nH]c3)cc21,CHEMBL3698293,7.02
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ncnc4nc[nH]c34)cc21,CHEMBL3698294,7.54
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C(N)=O)cc21,CHEMBL3698295,6.31
+Cc1cc(C)cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3698296,7.81
+Cc1cc(-c2ccc3c(c2)N(c2c(C)c(-c4ccccn4)nc4cc(F)ccc24)CC3(C)C)nc(N)n1,CHEMBL2171928,6.35
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3nc(N)ncc3Cl)cc21,CHEMBL3698297,5.85
+Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698298,7.99
+Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698299,8.35
+Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21,CHEMBL3698300,8.61
+Cc1c(-c2cccc(=O)[nH]2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698301,6.81
+Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698302,8.11
+Cc1c(-c2cccc(=O)[nH]2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698303,7.83
+COc1cccc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ccc(N5CCOCC5)cc43)c2C)n1,CHEMBL3698304,7.16
+Cc1c(-c2cccc(S(C)(=O)=O)c2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698305,6.9
+Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698306,7.68
+Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698307,8.48
+Cc1c(-c2cc(F)ccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698308,7.69
+Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698309,5.51
+Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cccc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698310,5.42
+Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698311,6.05
+Cc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698312,8.39
+CC1(C)CN(c2c(C#N)c(-c3ccccn3)nc3cc(F)ccc23)c2cc(N3CCOCC3)cnc21,CHEMBL3698313,6.36
+Cc1c(N2CCCCC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698314,7.13
+COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl,CHEMBL3698315,6.71
+COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1C,CHEMBL3698316,6.21
+Cc1cc(Cl)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1,CHEMBL3698317,5.5
+COc1cc(OC)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1,CHEMBL3639971,5.4
+COc1ccccc1-c1cc(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c2cc(Cl)ccc2n1,CHEMBL3698318,5.25
+Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(-c4ccncc4)cc32)c1C,CHEMBL3698319,5.77
+Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(-c4cn[nH]c4)cc32)c1C,CHEMBL3698320,5.02
+Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL2171933,6.2
+Cc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698321,5.9
+COc1cc(-c2ccncc2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12,CHEMBL3698322,5.84
+COc1cc(-c2cn[nH]c2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12,CHEMBL3698323,5.69
+Cc1nc2ccc(Cl)cc2c(-n2ccc3c(O)cc(-c4cn[nH]c4)cc32)c1C,CHEMBL3698324,5.39
+Cc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(-c4ccncc4)cc32)c1C,CHEMBL3698325,5.83
+Cc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(-c4cn[nH]c4)cc32)c1C,CHEMBL3698326,5.97
+Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698327,6.01
+COc1cc(N2CCOCC2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12,CHEMBL3698328,5.43
+Cc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(N4CCOCC4)cc32)c1C,CHEMBL3698329,6.82
+Cc1nc2ccc(Cl)cc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698330,7.14
+Cc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL2171921,6.35
+COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1Cl,CHEMBL3698331,6.24
+COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(C#N)cc43)c2cc1Cl,CHEMBL3698332,5.12
+Cc1nc2c(C)cccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698333,6.92
+COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)c(C)c43)c2cc1Cl,CHEMBL3698334,5.4
+CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)CCC3)c2cc(N3CCOCC3)ccc21,CHEMBL3698335,6.11
+CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)CCCC3)c2cc(N3CCOCC3)ccc21,CHEMBL3698336,5.58
+CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)C(C)(C)CC3)c2cc(N3CCOCC3)ccc21,CHEMBL3698337,6.95
+Cc1cnc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698338,6.18
+Cc1nc2c(C)cc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698339,6.21
+Cc1c(-c2ccccc2F)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL2171935,7.33
+Cc1nc2c(C)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698340,7.36
+Cc1nc2c(Cl)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698341,7.3
+Cc1nc2c(C(F)(F)F)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,CHEMBL3698342,6.29
+Cc1nc2ccc(Cl)cc2c(-n2cc(C#N)c3ccc(-c4cn[nH]c4)cc32)c1C,CHEMBL3698343,5.68
+CCc1c(C)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698344,5.95
+COc1cc2nc(C)c(C)c(N3CCS(=O)(=O)c4ccc(N5CCOCC5)cc43)c2cc1Cl,CHEMBL3698345,7.55
+Cc1c(-c2ccccc2F)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ccc(N3CCOCC3)cc21,CHEMBL3698346,7.63
+Cc1c(-c2ccccc2)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL2171934,7.07
+Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698347,7.6
+Cc1c(-c2ccccc2)nc2ccccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL2171922,7.04
+Cc1c(-c2ccccc2F)nc2cc(Cl)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3698348,6.24
+Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,CHEMBL3698349,6.71
+Cc1c(Cc2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698350,8.49
+C=C(c1ccccc1)c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(N4CCOCC4)cc32)c1C,CHEMBL3698351,8.54
+Cc1c(-c2cccc3ccccc23)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698352,6.64
+Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698353,6.71
+Cc1c(-c2cccc3[nH]ccc23)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698354,8.56
+Cc1c(Cc2cccc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698355,8.54
+Cc1c(CCc2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698356,8.09
+Cc1c(Cc2cccc(C#N)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698357,8.57
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCOc2ccc(N3CCOCC3)cc21,CHEMBL3698358,6.45
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C3=CCOCC3)cc21,CHEMBL3698359,8.19
+Cc1c(/C=C/c2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698360,7.05
+Cc1c(Nc2ccccn2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698361,7.77
+Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21,CHEMBL3698362,7.89
+Cc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698363,7.66
+Cc1ccnc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3698364,8.38
+Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698365,8.5
+COc1cccc(Cc2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3698366,8.63
+Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698367,7.76
+Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3698368,7.74
+Cc1c(-c2cncc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3698369,8.28
+Cc1cncc(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3698370,8.52
+Cc1c(-c2cncc(S(C)(=O)=O)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701637,7.78
+Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701638,8.81
+Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701639,8.05
+Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701640,8.26
+Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701641,8.03
+Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701642,8.19
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21,CHEMBL3701643,6.49
+Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701644,8.35
+Cc1c(-n2ccccc2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,CHEMBL3701645,8.33
+Cc1nc2c(Cl)cccc2c(N2CC3(CCOCC3)c3ncc(N4CCOCC4)cc32)c1C,CHEMBL3701646,8.57
+Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701647,8.63
+Cc1c(N2CCCCC2=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701648,8.79
+Cc1cc(C)cc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701649,7.92
+Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL2216891,8.98
+Cc1ccnc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701650,8.28
+COc1cc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)ccn1,CHEMBL3701651,8.16
+Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701652,8.27
+Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701653,8.82
+Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701654,8.82
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21,CHEMBL3701655,8.65
+Cc1ccnc(-c2nc3cc(F)ccc3c(N3CCS(=O)(=O)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701656,8.71
+Cc1c(-c2ccccn2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701657,7.18
+Cc1c(N2CCCC2=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701658,8.12
+Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21,CHEMBL3701659,6.05
+Cc1c(-c2ccccn2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701660,7.9
+Cc1c(-c2ccccn2)nc2cnccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701661,7.51
+Cc1c(-c2cc(F)cc(F)c2)nc2cnccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701662,7.55
+Cc1c(-c2cc(F)cc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701663,7.87
+Cc1ccnc(-c2nc3ncccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701664,8.63
+Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701665,8.0
+COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)CC1,CHEMBL3701666,8.51
+Cc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701667,8.83
+Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701668,8.57
+Cc1c(N2CCNCC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701669,7.91
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCS(=O)(=O)CC2)c2ccc(N3CCOCC3)cc21,CHEMBL3701670,8.86
+Cc1c(N2CCN(S(C)(=O)=O)CC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701671,7.19
+Cc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701672,8.64
+Cc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701673,8.27
+Cc1c(-c2ccccc2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701674,7.56
+Cc1c(-c2ccccc2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701675,8.36
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(Br)c(N3CCOCC3)cc21,CHEMBL3701676,7.65
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(C#N)c(N3CCOCC3)cc21,CHEMBL3701677,7.38
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(N)c(N3CCOCC3)cc21,CHEMBL3701678,6.66
+C=Cc1nc2c(cc1N1CCOCC1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC21CCOCC1,CHEMBL3701679,7.54
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(Cl)c(N3CCOCC3)cc21,CHEMBL3701680,7.03
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2nc(Br)c(N3CCOCC3)cc21,CHEMBL3701681,7.88
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2nc(C#N)c(N3CCOCC3)cc21,CHEMBL3701682,7.48
+Cc1ccnc(-c2nc3ncccc3c(N3CC(C)(C)c4nc(Cl)c(N5CCOCC5)cc43)c2C)c1,CHEMBL3701683,7.31
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2nc(Cl)c(N3CCOCC3)cc21,CHEMBL3640005,7.16
+CNC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)CC1,CHEMBL3701684,8.5
+Cc1c(N2CCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701685,8.9
+Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701686,8.64
+Cc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701687,8.65
+Cc1ccnc(-c2nc3cnccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1,CHEMBL3701688,7.28
+Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701689,8.27
+Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(N3CCOCC3)cc21,CHEMBL2171925,7.09
+Cc1c(C2CC2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21,CHEMBL3701690,6.81
+Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21,CHEMBL3701691,7.49
+COc1ccc(Nc2ncc(CNCCO)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646536,6.87
+COc1ccc(Nc2ncc(CN[C@H](C)CO)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646537,6.45
+COc1ccc(Nc2ncc(CN3CC(O)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646538,7.23
+COc1ccc(Nc2ncc(CN3CC4(C3)NC(=O)NC4=O)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646539,7.17
+COc1ccc(Nc2ncc(CN3CC(N)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646540,6.35
+COc1ccc(Nc2ncc(CN3CC(NS(C)(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3639454,7.41
+COc1ccc(Nc2ncc(CN3CCn4ncnc4C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646541,7.39
+COc1ccc(Nc2ncc(C(O)c3cc(Br)ccc3S(=O)(=O)N(C)C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646542,7.64
+COc1ccc(Nc2ncc(C(O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646543,8.4
+COc1ccc(Nc2ncc(C(N)c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646544,7.74
+COc1ccc(Nc2nc3ccccc3cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646545,7.35
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646546,8.1
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3ncsc3c2)n1,CHEMBL3646547,7.37
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cncc(F)c2)n1,CHEMBL2170097,7.82
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cn[nH]c2)n1,CHEMBL3646548,6.79
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccn[nH]2)n1,CHEMBL3646549,5.84
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cc(F)cc3n[nH]cc23)n1,CHEMBL3646550,8.1
+COc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3357863,7.72
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(F)c(F)c2)n1,CHEMBL3646551,6.35
+COc1ccc(Nc2ncc(C3=CCNCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646552,7.68
+COc1ccc(Nc2ncc(-c3cn[nH]c3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646553,7.96
+COc1ccc(Nc2ncc(-c3ccnnc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646554,7.22
+COc1ccc(Nc2ncc(-c3cncc(F)c3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646555,7.92
+COc1ccc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646556,7.17
+COc1ncc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646557,8.4
+Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cncc(F)c2)n1,CHEMBL3646558,6.37
+Cc1nc(N)nc(-c2cc(-c3cnn(C)c3)cnc2Nc2cncc(F)c2)n1,CHEMBL3646559,7.85
+COCCOc1ccc(-c2nc(C)nc(N)n2)c(Nc2cnc(OC)c(F)c2)n1,CHEMBL3646560,7.09
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3nc[nH]c3c2)n1,CHEMBL3646561,7.8
+Cc1nc(N)nc(-c2cc(CN3CCNCC3)cnc2Nc2ccc3nc[nH]c3c2)n1,CHEMBL3646562,7.16
+COc1ccc(Nc2ncc(OC(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646563,7.33
+Cc1nc(N)nc(-c2cccnc2Nc2cc[nH]c(=O)c2)n1,CHEMBL3646564,6.19
+CC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646565,6.81
+CC(=O)Nc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646566,6.43
+CC(=O)Nc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1,CHEMBL3646567,6.99
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170083,8.7
+COc1ncc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170089,8.52
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170088,9.0
+COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3357868,8.4
+COc1ncc(Nc2ncc([C@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646569,7.49
+COc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3649480,7.77
+COc1ccc(Nc2ncc(C(C)(C)N)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646570,7.25
+COc1ncc(Nc2ncc(C(C)(C)N)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646571,7.35
+COc1ccc(Nc2ncc(C(C)(C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646572,7.96
+COc1ncc(Nc2ncc(C(C)(C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170090,8.7
+COc1ncc(Nc2ncc(C(C)(C)N3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646573,8.22
+COc1ccc(Nc2ncc(C3(N4CCN(S(C)(=O)=O)CC4)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646574,8.15
+COc1ncc(Nc2ncc(C(C)N3CCN(S(C)(=O)=O)CC3)nc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646575,8.52
+COc1ncc(Nc2ncc(C(C)(C)O)nc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646576,7.51
+COc1ccc(Nc2ncc(C(C)=O)nc2-c2cc(N)nc(C)n2)cn1,CHEMBL3646577,6.99
+COc1ccc(Nc2ncc(C(C)N3CCN(S(C)(=O)=O)CC3)nc2-c2cc(N)nc(C)n2)cn1,CHEMBL3646578,7.96
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2cc(F)c3cccnc3c2)n1,CHEMBL3646579,7.7
+Cc1nc(N)nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646580,7.35
+Cc1nc(N)nc(-c2cc(C(C)N3CCN(C(=O)N(C)C)CC3)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646581,7.22
+Cc1nc(N)nc(-c2cc(C(C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646582,7.62
+COc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646583,7.43
+COc1ncc(Nc2ncc([C@H](C)N3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3649481,7.36
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646584,8.4
+COc1ncc(Nc2ncc(C(C)N3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646585,7.92
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc3nc[nH]c23)cc1F,CHEMBL3646586,8.52
+COc1ncc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc3nc[nH]c23)cc1F,CHEMBL3646587,7.74
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cc1F,CHEMBL3646588,9.0
+COc1ncc(Nc2ncc(C3(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3357869,8.4
+COc1ncc(Nc2ncc(C(C)NC(C)C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646589,7.21
+COc1ncc(Nc2ncc(C3(N)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646590,7.13
+CCC(N)(CC)c1cnc(Nc2cnc(OC)c(F)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3646591,6.96
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1C(C)C,CHEMBL3646592,7.62
+CCS(=O)(=O)c1cnc(Nc2cnc(OC)c(F)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3646593,6.09
+Cc1nc(N)cc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL3646594,7.54
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646595,8.7
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646596,9.0
+Cc1nc(N)cc(-c2nccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL3646597,6.59
+COc1ccc(Nc2ncc(C(C)N3CC(S(C)(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646598,7.72
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc(Cl)nc2)n1,CHEMBL3646599,7.36
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3cccnc3c2)n1,CHEMBL3646600,7.44
+COc1ncc(Nc2ncc(C(C)(C)CO)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3357872,8.1
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3C(F)(F)F)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646603,8.15
+COc1ncc(Nc2ncc(C(O)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3357867,7.77
+COc1ncc(Nc2ncc(CN3CCOC[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646604,7.57
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170082,8.7
+COc1cc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cnc1Cl,CHEMBL3646605,7.74
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc(Cl)nc2)n1,CHEMBL3646606,7.49
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646607,7.68
+COc1ccc(Nc2ncc(C(C)(O)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646608,6.91
+COc1ccc(Nc2ncc(C(N3CCN(S(C)(=O)=O)CC3)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646609,7.47
+COc1ccc(Nc2ncc([C@@H](O)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646610,7.07
+COc1ccc(Nc2ncc([C@H](O)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3649482,7.47
+COc1ccc(Nc2ncc(C(N)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646611,7.23
+COc1ncc(Nc2ncc(C(N3CCN(S(C)(=O)=O)CC3)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646612,8.22
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3ccncc3c2)n1,CHEMBL3646613,7.17
+COc1ncc(Nc2ncc(C(C)N)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646614,7.16
+COCCOc1cnc(Nc2cnc(OC)c(NS(C)(=O)=O)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3646615,7.26
+COc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O,CHEMBL3646616,7.01
+Cc1nc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c2[nH]cnc2n1,CHEMBL3646617,8.3
+Cc1nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c2[nH]cnc2n1,CHEMBL3646618,8.52
+Cc1nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c2[nH]cnc2n1,CHEMBL3646619,8.4
+COc1cc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cnc1Cl,CHEMBL3646620,7.72
+COc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1Cl,CHEMBL3646621,7.6
+COc1ncc(Nc2ncc(C3=CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646622,8.3
+COc1ncc(Nc2ncc(C3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646623,8.3
+COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2cc(N)nc(C)n2)cc1F,CHEMBL3646624,7.89
+COc1ncc(Nc2ncc(C(C)(C)C(=O)O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646625,6.42
+COc1ncc(Nc2ncc(C(O)C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646626,7.12
+COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C(F)(F)F,CHEMBL3357876,6.68
+COc1ncc(Nc2ncc(C(C)O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646627,7.23
+COc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC,CHEMBL3358287,7.72
+COc1ncc(Nc2ncc(C(OC(=O)c3cccc(Cl)c3)C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646628,8.05
+Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(F)c2)n1,CHEMBL3357874,7.64
+COc1cncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)c1,CHEMBL3358288,7.82
+COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C,CHEMBL3357875,7.92
+Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(C)(=O)=O)c2)n1,CHEMBL3358285,6.72
+Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(=O)(=O)c3ccccc3)c2)n1,CHEMBL3358286,7.24
+COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)C(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646629,7.85
+COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)CC(F)(F)F)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646630,7.62
+COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)C4CC4)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646631,7.35
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170086,7.96
+COc1ncc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170087,7.62
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646632,8.7
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc(Cl)nc2)n1,CHEMBL3646633,7.82
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)[C@H](C)C3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646634,8.3
+COc1cnc(Nc2cnc(Cl)c(N)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3646635,6.57
+Cc1nc(N)nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL3646636,8.1
+Cc1nc(N)nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649462,8.0
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL3649463,8.15
+Cc1nc(N)nc(-c2cc([C@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,CHEMBL3649464,8.3
+Cc1nc(N)nc(-c2cc([C@@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649465,8.22
+Cc1nc(N)nc(-c2cc([C@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649466,7.82
+Cc1nc(N)cc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649467,6.82
+COCCOc1cnc(Nc2cnc(C)c(NS(C)(=O)=O)c2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3649468,7.15
+Cc1nc(N)nc(-c2cccnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1,CHEMBL3649469,6.55
+Cc1nc(N)cc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649470,7.92
+C=Cc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(-c2cc(N)nc(C)n2)c1,CHEMBL3649471,7.23
+Cc1nc(N)cc(-c2cc([C@@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649472,7.74
+Cc1nc(N)cc(-c2cc([C@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1,CHEMBL3649473,7.82
+COc1ncc(Nc2ncc(CN3CCN4C(CCS4(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3649474,8.15
+c1cnc(Nc2cccc3[nH]ccc23)c(-c2ncnc3nc[nH]c23)c1,CHEMBL3643919,5.25
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cccc(O)c2)n1,CHEMBL3643920,8.1
+Cc1cnc(Nc2cccnc2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3643921,6.72
+COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2ncnc(C)n2)cn1,CHEMBL3643922,5.8
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cccc3n[nH]cc23)n1,CHEMBL3643923,8.4
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc(C(F)(F)F)nc2)n1,CHEMBL2170094,6.89
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cncnc2)n1,CHEMBL3643924,7.77
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3ncoc3c2)n1,CHEMBL3643925,7.26
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170096,8.05
+Cc1cnc(Nc2cccc3[nH]ccc23)c(-c2nc(C)nc(N)n2)c1,CHEMBL3643926,6.89
+Cc1cnc(Nc2cccc3n[nH]cc23)c(-c2nc(C)nc(N)n2)c1,CHEMBL3643927,7.44
+CCOc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cn1,CHEMBL3643928,6.3
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(N)nc2)n1,CHEMBL3643929,5.87
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(Cl)nc2)n1,CHEMBL3643931,6.8
+Cc1nc(-c2cc(Cl)cnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3643932,6.14
+Cc1nc(-c2cc(Br)cnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3643933,7.3
+Cc1nc(-c2cc(C(F)(F)F)cnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3643934,6.92
+COc1ncc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3643935,7.21
+COc1ccc(COCc2cnc(Nc3cccc4[nH]ccc34)c(-c3nc(C)nc4nc[nH]c34)c2)cc1,CHEMBL3643936,6.4
+Cc1nc(-c2cc(CO)cnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3643937,7.48
+C=Cc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3nc[nH]c23)c1,CHEMBL3643938,7.08
+CCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3nc[nH]c23)c1,CHEMBL3643939,7.96
+COc1ccc(Nc2ncc(CCO)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3643940,7.64
+COc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3643941,7.36
+COc1ccc(NCc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1,CHEMBL3643942,7.46
+COc1cccc(NCc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)c1,CHEMBL3643943,7.66
+COc1ccc(Nc2ncc(CNc3cccnn3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646427,7.48
+COc1ccc(Nc2ncc(CNc3ccncc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646428,7.38
+COc1ccc(Nc2ncc(CNc3ccccn3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646429,7.6
+COc1ccc(Nc2ncc(CNc3ccccc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646430,7.35
+COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646431,7.01
+COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646432,7.72
+COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)CC1,CHEMBL3646433,7.74
+COc1ccc(Nc2ncc(CN3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646434,7.37
+COc1ccc(Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646435,8.15
+COc1ccc(Nc2ncc(CN3CCN(C(C)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646436,7.38
+COc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1,CHEMBL3646437,8.05
+COc1ccc(Nc2ncc(NCc3ccccc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646438,7.24
+COc1ccc(Nc2ncc(Nc3ccccc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646439,7.48
+COCCNc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3nc[nH]c23)c1,CHEMBL3646440,6.98
+CCNc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc3nc[nH]c23)c1,CHEMBL3646441,6.74
+COc1ccc(CNc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1,CHEMBL3639453,7.11
+COc1cccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)c1,CHEMBL3646442,7.46
+COc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646443,6.97
+COc1ccc(Nc2ncc(N3CCC(O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646444,7.1
+COc1ccc(Nc2ncc(N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646445,7.64
+COc1ccc(Nc2ncc(N3CCC[C@H]3CO)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646446,7.54
+COc1ccc(Nc2ncc(N3CCC[C@@H]3CO)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646447,7.4
+CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cc1,CHEMBL3646448,6.34
+COc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646449,8.7
+Cc1nc(-c2cc(Cc3ccc(S(C)(=O)=O)cc3)cnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3646450,8.52
+CC(=O)Nc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646451,8.05
+Cc1nc(-c2cc(Cc3ccc(S(C)(=O)=O)cc3)cnc2Nc2ccc(N)nc2)c2[nH]cnc2n1,CHEMBL3649475,7.92
+Cc1nc(N)cc(-c2cnccc2Nc2cccc3n[nH]cc23)n1,CHEMBL3646452,6.44
+CC(=O)Nc1cc(-c2cnccc2Nc2cccc3[nH]ccc23)nc(C)n1,CHEMBL3646453,5.56
+Cc1nc(N)cc(-c2cnccc2Nc2cccc3[nH]ccc23)n1,CHEMBL3649476,5.72
+Cc1nc(-c2cnccc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1,CHEMBL3646454,6.58
+COc1ccc(Nc2ccncc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646455,6.6
+Cc1nc(N)cc(-c2nccnc2Nc2cccc3n[nH]cc23)n1,CHEMBL3646456,7.01
+COc1ccc(Nc2nc3ccccc3cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646457,7.42
+COc1ccc(Nc2nc(N)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646458,6.95
+COc1ccc(Nc2nc(OC)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646459,7.74
+COc1ccc(Nc2nc(N3CCOCC3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646460,7.01
+COc1ccc(Nc2nc(N(C)C)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646461,7.35
+COc1ccc(Nc2nc(N3CCCC3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646462,7.29
+COc1ccc(Nc2nc(N3CCCCC3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646463,6.99
+COc1ccc(Nc2nc(-c3ccncc3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646464,6.55
+COc1ccc(Nc2nc(-c3ccc(F)cc3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646465,6.3
+COc1ccc(Nc2nc(NC3CCCC3)ncc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646466,6.84
+COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646467,7.96
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3ocnc3c2)n1,CHEMBL3646468,8.15
+Cc1nc(N)nc(-c2cc(CN3CCOCC3)cnc2Nc2ccc3scnc3c2)n1,CHEMBL3646469,7.0
+COc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646470,7.7
+COc1ccc(Nc2ncc(C(O)C(C)(C)C)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646471,7.92
+COc1ccc(Nc2ncc([C@@H](O)C(C)(C)C)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646472,7.92
+COc1ccc(Nc2ncc([C@H](O)C(C)(C)C)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3649477,7.51
+COc1ccc(Nc2ncc(CNC(C)(C)C)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646473,6.66
+COc1ccc(Nc2ncc(CNC(C)C)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646474,6.92
+COc1ccc(Nc2ncc(CNCc3ccccn3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646475,7.27
+COc1ccc(Nc2ncc(CNCc3ccncc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646476,7.4
+COc1ccc(Nc2ncc(CNCc3cccnc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646477,7.32
+COc1ccc(Nc2ncc(C(O)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646478,8.3
+COc1ccc(Nc2ncc(C(C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646479,8.22
+COc1ncc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646480,8.7
+COc1ncc(Nc2ncc(C(C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646481,8.7
+COc1ccc(Nc2ncc(C(C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646482,8.15
+COc1ccc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646483,8.1
+COc1ccc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3649478,8.22
+COc1ncc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170099,8.4
+COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL2170081,8.4
+COc1ccc(Nc2ncc(C(C)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646484,8.3
+COc1ncc(Nc2ncc(C(C)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646485,9.0
+COc1ccc(Nc2ncc(C(=O)N3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646486,7.19
+COc1ncc(Nc2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646487,8.0
+COCCNC(=O)c1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1,CHEMBL3646488,7.68
+COc1ccc(Nc2ncc(CN3CCOCC3=O)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646489,7.48
+COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646490,8.15
+COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646491,7.96
+Cc1nc(N)nc(-c2cc(CN3CCN(C(=O)N(C)C)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1,CHEMBL3649479,6.3
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1,CHEMBL3646492,7.44
+COc1cncc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)c1,CHEMBL2170098,8.05
+CNc1nc(C)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc(OC)nc2)n1,CHEMBL3646493,8.15
+Cc1nc(N)nc(-c2cccnc2Nc2cccc(OC(F)F)c2)n1,CHEMBL3646494,6.02
+Cc1nc(N)nc(-c2cccnc2Nc2ccc3oc(C)nc3c2)n1,CHEMBL3646495,6.75
+COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646496,6.75
+COc1cc(Nc2ncccc2-c2nc(C)nc(N)n2)ccc1F,CHEMBL3646497,6.34
+Cc1nc(N)nc(-c2cccnc2Nc2ccc3c(c2)OC(F)(F)O3)n1,CHEMBL3646498,6.21
+COc1ccc(Nc2ncc(-c3ccc(OC)nc3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646499,7.77
+COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1OC,CHEMBL3646500,6.25
+Cc1ccc2cc(Nc3ncccc3-c3nc(C)nc(N)n3)ccc2n1,CHEMBL3646501,6.21
+COc1ccc(Nc2ncc(-c3ccccn3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646502,8.22
+COc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1Cl,CHEMBL3646503,7.22
+Cc1cncc(Nc2ncccc2-c2nc(C)nc(N)n2)c1,CHEMBL3646504,6.34
+COc1ncc(Nc2nc(-c3ccncc3)ccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646505,7.2
+COc1ncc(Nc2ncc(C(=O)N3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646506,7.36
+COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2cc(N)nc(C)n2)cn1,CHEMBL3646507,8.22
+Cc1nc(N)cc(-c2nc3ccccc3nc2Nc2cccc3n[nH]cc23)n1,CHEMBL3646508,6.91
+CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cc1Cl,CHEMBL3646509,6.12
+Cc1nc(-c2cccnc2Nc2ccc(NC(=O)C3CC3)cc2)c2[nH]cnc2n1,CHEMBL3646510,6.46
+COc1cncc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)c1,CHEMBL3646511,7.59
+COc1ncc(Nc2ncc(F)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646512,7.66
+Cc1nc(N)nc(-c2cc(F)cnc2Nc2cncc(F)c2)n1,CHEMBL3646513,6.07
+COc1ncc(Nc2ncc(C=O)cc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646514,7.89
+Cc1nc(N)nc(-c2cc(Cl)cnc2NC2CCOCC2)n1,CHEMBL3646515,5.68
+COCCNc1nc(C)nc(-c2cc(Cl)cnc2Nc2cnc(OC)c(F)c2)n1,CHEMBL3646516,6.39
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(NC(=O)Nc3ccccc3)nc2)n1,CHEMBL3646517,8.7
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(NC(=O)Nc3cccc(F)c3)nc2)n1,CHEMBL3646518,8.4
+Cc1nc(N)nc(-c2cccnc2Nc2ccc(NC(=O)NC(C)C)nc2)n1,CHEMBL3646519,6.16
+CC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646520,7.1
+COC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646521,6.82
+COCCOc1ccc(NC(=O)Nc2ccc(Nc3ncc(Cl)cc3-c3nc(C)nc(N)n3)cn2)cc1,CHEMBL3646522,7.8
+CC(=O)Nc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646523,7.28
+COc1ncc(Nc2nc(C)ccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646524,7.48
+COc1ncc(Nc2nc(CN3CCOCC3)ccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646525,6.56
+COc1ncc(Nc2nc(COCC(F)(F)F)ccc2-c2nc(C)nc(N)n2)cc1F,CHEMBL3646526,7.17
+Cc1ccc(-c2nc(C)nc(N)n2)c(Nc2cncc(F)c2)n1,CHEMBL3646527,6.74
+COc1ccc(Nc2ncc(CN3CCSCC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646528,7.03
+COc1ccc(Nc2ncc(CN3CCS(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646529,6.83
+Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cnc3c(c2)ncn3C)n1,CHEMBL3646530,7.8
+COc1ccc(Nc2ncc(N3CC[C@H](CO)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646531,7.4
+COc1ccc(Nc2ncc(N3CC[C@H](O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646532,7.33
+COc1ccc(Nc2ncc(N3CC[C@@H](O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1,CHEMBL3646533,7.17
+COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL2170095,8.1
+COc1ccc(Nc2ncc(CN3CCOC[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646534,7.03
+COc1ccc(Nc2ncc(CN3CC(S(C)(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cn1,CHEMBL3646535,8.22
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681054,8.73
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681055,7.46
+CN(C)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681056,8.41
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681057,8.35
+COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F,CHEMBL3681058,8.42
+COc1ncc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cc1F,CHEMBL3681059,8.63
+COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681060,7.94
+COc1ncc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681061,8.22
+Cn1cc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1,CHEMBL3681062,7.23
+Cn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1,CHEMBL3681063,7.14
+O=C(OCc1ccccc1)C1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681064,8.11
+Cn1c(=O)n(C2CCC(C(=O)OCc3ccccc3)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681065,8.54
+O=c1[nH]c2cnc3ccc(-c4cnc5ccccc5c4)nc3c2n1C1CCNCC1,CHEMBL3681066,8.61
+CCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681067,8.5
+CCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681068,9.27
+COC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681069,9.09
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681070,8.71
+CC(C)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681072,8.97
+CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681073,8.59
+CCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681074,8.86
+CC(C)OC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681075,8.54
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681076,8.23
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1,CHEMBL3681077,8.62
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](OCCO)CC5)c4c3n2)cn1,CHEMBL3681078,9.19
+COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](O)CC5)c4c3n2)cn1,CHEMBL3681079,9.29
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL2331658,9.3
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL2331659,9.3
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1,CHEMBL2331661,9.32
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681080,8.46
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681081,8.65
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681082,9.47
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681083,9.18
+Cn1c(=O)n(C2CCN(CC(F)(F)F)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681084,7.69
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(OC)nc5)nc4c32)CC1,CHEMBL3681085,8.94
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681086,9.25
+CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681087,8.68
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)N)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681088,8.41
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681089,8.92
+Cn1c(=O)n([C@H]2CC[C@H](OCCO)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL3681090,8.97
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3681091,8.68
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3639799,9.99
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1,CHEMBL3681092,8.06
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1,CHEMBL3681094,8.77
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1,CHEMBL2331666,9.04
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cn1,CHEMBL3681095,8.59
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681096,8.52
+Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681097,7.63
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc(OC)nc5)nc4c32)CC1,CHEMBL3681098,8.3
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL2331665,8.41
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(=O)N(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681099,8.33
+Cn1c(=O)n([C@H]2CC[C@H](C(N)=O)CC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681100,7.79
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(c3ncccn3)CC2)c(=O)n4C)cn1,CHEMBL3681101,8.45
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681102,8.75
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21,CHEMBL3681103,8.38
+COc1ncc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681104,9.01
+Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681105,8.13
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1,CHEMBL3681106,8.37
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1,CHEMBL2331663,9.27
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1,CHEMBL2331662,8.71
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cc[nH]n4)ccc3ncc21,CHEMBL3681107,7.63
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681108,9.05
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681109,8.39
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1,CHEMBL3681110,8.99
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1,CHEMBL3681111,9.49
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)NN)CC2)c(=O)n4C)cn1,CHEMBL3681112,8.49
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1,CHEMBL3681113,7.56
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681114,7.54
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1,CHEMBL3681115,8.41
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681116,7.92
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1,CHEMBL3681117,8.41
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1,CHEMBL3681118,8.09
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1,CHEMBL3681119,9.3
+N[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1,CHEMBL3681120,8.66
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681121,9.41
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681122,9.12
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681123,8.98
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1,CHEMBL3681124,8.5
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21,CHEMBL3681125,7.95
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681126,8.95
+COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681127,8.05
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cc[nH]n4)ccc3ncc21,CHEMBL3681128,7.55
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681129,8.29
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,CHEMBL3681130,9.53
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1,CHEMBL3681131,9.55
+COCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681132,9.1
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681133,7.57
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681134,7.61
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL3681135,9.58
+Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681136,9.28
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1,CHEMBL3681137,8.33
+CC(C)C(=O)CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681138,7.83
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681139,8.39
+C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1,CHEMBL3681140,9.4
+Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1,CHEMBL3681141,8.33
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1,CHEMBL3681142,9.3
+CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1,CHEMBL3681143,7.58
+Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681144,7.34
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681145,7.12
+CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,CHEMBL3681148,6.5
+Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21,CHEMBL3681152,7.28
+Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681153,8.79
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21,CHEMBL3681154,9.56
+Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H](C)CO)c(=O)n4C)cn1,CHEMBL3681155,7.87
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21,CHEMBL3681156,6.84
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H](C)CO)c(=O)n4C)cn1,CHEMBL3681157,8.05
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5ccccc5c4)nc3c21,CHEMBL3681158,7.24
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)nc4)nc3c21,CHEMBL3681159,7.81
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21,CHEMBL3681160,8.36
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cccc5[nH]ccc45)nc3c21,CHEMBL3681161,7.53
+C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5n[nH]cc5c4)nc3c21,CHEMBL3681162,9.36
+C[C@@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21,CHEMBL3681163,6.99
+COc1ccc(-c2ccc3ncc4c(c3n2)n([C@@H](C)CO)c(=O)n4C)cn1,CHEMBL3681164,8.39
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1,CHEMBL3681165,9.6
+CNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cc1,CHEMBL3681166,8.71
+CNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cc1,CHEMBL3681167,8.66
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4c32)CC1,CHEMBL3681168,7.62
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc(-n6cccn6)c5)nc4c32)CC1,CHEMBL3681169,7.75
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1,CHEMBL3681170,8.35
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6n[nH]cc56)nc4c32)CC1,CHEMBL3681171,9.09
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4ccnc5n[nH]cc45)ccc3ncc21,CHEMBL3681172,9.08
+C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6n[nH]cc56)nc4c32)CC1,CHEMBL3681173,8.98
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6n[nH]cc56)nc4c32)CC1,CHEMBL2331667,9.29
+C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6n[nH]cc56)nc4c32)CC1,CHEMBL2331669,9.14
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5n[nH]cc45)ccc3ncc21,CHEMBL3681174,9.24
+C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681175,9.96
+CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL2331668,9.72
+COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681176,9.78
+Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681177,9.94
+Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681178,9.49
+CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6n[nH]cc6c5)nc4c32)CC1,CHEMBL3681179,9.55
+CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1,CHEMBL3681180,8.3
+COc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCNCC2)c(=O)n4C)cn1,CHEMBL3681181,8.11
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4ccc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681182,9.84
+Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5n[nH]cc5c4)ccc3ncc21,CHEMBL3681183,9.44
+COc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCOCC2)c(=O)n4C)cn1,CHEMBL3681184,7.91
+COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(OC)nc4)nc3c21,CHEMBL3681185,7.87
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cc1,CHEMBL3681187,8.74
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cc1,CHEMBL3681188,8.71
+COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cc1,CHEMBL3681189,8.11
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)c1,CHEMBL3681190,8.7
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)c1,CHEMBL3639800,8.65
+COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)c1,CHEMBL3681191,8.52
+COc1ccccc1-c1ccc2ncc3c(c2n1)n(C1CCN(C(=O)CO)CC1)c(=O)n3C,CHEMBL3681192,6.73
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CC[C@H]3C(N)=O)cc1OCC2,CHEMBL3770306,10.0
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(OCC(N)=O)cc1OCC2,CHEMBL3770140,9.52
+CC[C@H](Oc1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2)C(N)=O,CHEMBL3769854,9.3
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@H](C)C(N)=O)cc1OCC2,CHEMBL3770644,8.44
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CCCC[C@H]3C(N)=O)cc1OCC2,CHEMBL3770717,9.52
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2,CHEMBL3770993,10.52
+CNC(=O)[C@@H]1CCCN1c1cc2c(cn1)-c1nc(-c3ncnn3C(C)C)cn1CCO2,CHEMBL3769857,7.52
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCCC3)cc1OCC2,CHEMBL3770092,8.89
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCC[C@@H]3C(N)=O)cc1OCC2,CHEMBL3769603,8.49
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCC[C@H]3C(N)=O)cc1OCC2,CHEMBL3770709,10.0
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N(C)CC(N)=O)cc1OCC2,CHEMBL3770325,9.7
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N)cc1OCC2,CHEMBL3770630,8.92
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(OC(C)(C)C(N)=O)cc1OCC2,CHEMBL3769972,8.51
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(O[C@@H](C)C(N)=O)cc1OCC2,CHEMBL3770824,9.0
+CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(OCC(N)=O)cc1OCC2,CHEMBL3769966,9.05
+CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@@H](C)C(N)=O)cc1OCC2,CHEMBL3771364,9.7
+COC(=O)Nc1ccc2c(c1)OCCc1cc(-c3nncn3-c3ccccc3Cl)sc1-2,CHEMBL3770332,9.0
+COc1cc2c(cn1)-c1nc(-c3ncnn3C(C)C)cn1CCO2,CHEMBL3770615,8.44
+CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,CHEMBL3813842,8.7
+Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C,CHEMBL3814414,8.7
+COC1(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2C)COC1,CHEMBL3815084,8.3
+Cn1c(C2(O)COC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21,CHEMBL3814925,8.52
+Cn1c(C2CCC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21,CHEMBL3814544,8.52
+CCc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C,CHEMBL3814365,8.3
+Cn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21,CHEMBL3814933,8.0
+Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(C(C)(C)O)n(CCO)c2n1,CHEMBL3813906,8.52
diff --git a/chembl_200/CHEMBL4036.csv b/chembl_200/CHEMBL4036.csv
new file mode 100644
index 0000000000000000000000000000000000000000..dd36c376169d816c9e6e20b57fb4d24cf9236c46
--- /dev/null
+++ b/chembl_200/CHEMBL4036.csv
@@ -0,0 +1,428 @@
+Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL280074,5.2
+CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,CHEMBL52387,6.7
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,7.3
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,9.3
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.7
+COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,CHEMBL259850,5.0
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.9
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.1
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,5.8
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.0
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.4
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,7.2
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.4
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.1
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.1
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,8.0
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.5
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,7.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,7.1
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.8
+O=C1NCc2c1cccc2-c1cccs1,CHEMBL1991782,5.7
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.3
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,5.9
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.1
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,8.1
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.4
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,6.4
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,7.3
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,5.5
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.9
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,7.5
+Cc1[nH]nc2c1C(c1ccccc1I)C(C#N)C(=N)O2,CHEMBL1979318,5.4
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.2
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.1
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.2
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,5.7
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.2
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,5.6
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,5.1
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,6.3
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.6
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.7
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.1
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.2
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.2
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.8
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.6
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.4
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,6.0
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,6.7
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.7
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,7.3
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,7.5
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,5.8
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,7.6
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,6.5
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.5
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.4
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.8
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.0
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.7
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.2
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.3
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.1
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,6.2
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.8
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.1
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.3
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,7.2
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,5.6
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.8
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.9
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.2
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.3
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.7
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,5.6
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.9
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.0
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,5.5
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.9
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.1
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.8
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.5
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,5.5
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.3
+Nc1cc(Nc2ccc(O)c(CNC(=O)C(F)(F)F)c2)ncn1,CHEMBL2002418,6.1
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.3
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,7.1
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,7.3
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.7
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,8.0
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.4
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.0
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,5.8
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.4
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,6.8
+CCOCC(C)Oc1cccc2n[nH]c(N)c12,CHEMBL2002736,5.8
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.5
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.3
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.9
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.6
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.2
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.4
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.0
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,5.1
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.9
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.0
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,7.0
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.5
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.3
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,5.1
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.1
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,5.85
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.5
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.3
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.6
+NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,CHEMBL2002322,5.4
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.7
+Nc1nnc2sc3ccccc3n12,CHEMBL2001704,4.4
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,5.6
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.1
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,5.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.3
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.1
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.8
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,8.1
+CN(c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O)S(C)(=O)=O,CHEMBL1980497,5.3
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,7.7
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.6
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,8.0
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.3
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.5
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.9
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,7.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.4
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,8.1
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,5.9
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,5.5
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.2
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.6
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,5.3
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,6.5
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,5.3
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.9
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.7
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.5
+Brc1ccc2cnc(Nc3ccncn3)cc2c1,CHEMBL1984686,6.8
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,5.0
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,5.8
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.5
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.8
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,5.5
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.2
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,5.1
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.5
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.1
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.9
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.2
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,7.8
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.6
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,7.2
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,6.8
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.6
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.3
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.9
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,7.7
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.0
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.5
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.9
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.2
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.0
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,8.2
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.5
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,6.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,7.9
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.5
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,8.2
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,7.2
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,6.9
+CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1,CHEMBL1993374,6.4
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,8.2
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,5.5
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.8
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,5.2
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.6
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.1
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,9.2
+CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCCC(N)=O)cc2)n1,CHEMBL1998765,5.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.4
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.9
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.9
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.1
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.2
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,6.0
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.9
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.4
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.1
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.2
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.8
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.7
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,5.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.9
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.9
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.9
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,5.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.8
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.6
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.7
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.2
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,6.0
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.5
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,7.9
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.1
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,4.2
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,6.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.4
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cc(F)cc12,CHEMBL1967336,6.7
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.1
+Cc1[nH]nc2c1C(c1ccccc1F)C1C(=O)CC(C)(C)CC1=N2,CHEMBL1966703,5.6
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,7.3
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.1
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.7
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,6.4
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,6.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,7.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.5
+Cc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1,CHEMBL1980371,5.0
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.1
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.6
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.5
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.3
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.6
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.9
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,7.5
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.8
+COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1,CHEMBL1991356,5.1
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.3
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,7.6
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,7.0
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.4
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.3
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,7.6
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.4
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.5
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.6
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.6
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,5.8
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.2
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.0
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.6
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.5
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.5
+Cc1ccc2c(c1)C(=O)Nc1ccccc1N2,CHEMBL1970873,5.3
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.4
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,7.0
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.9
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.5
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.5
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.9
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.5
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.8
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.9
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.1
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,6.8
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.5
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.3
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.5
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,7.6
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,8.2
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.8
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.5
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,5.9
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.8
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,6.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.1
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.1
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.0
+CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL86066,5.9
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.5
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.4
+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,5.5
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.2
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.3
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,6.2
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.5
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.1
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,7.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,8.2
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,7.9
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.6
+COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2004513,5.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.5
+Cc1[nH]c(=O)oc(=O)c1-c1ccccc1,CHEMBL1971785,4.2
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,6.0
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.0
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,7.0
+O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1,CHEMBL2005352,5.6
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.2
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.6
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.7
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.5
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.2
+CC(=O)n1nc(N)c2ccc(Br)cc21,CHEMBL1994956,5.8
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,5.8
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.2
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.2
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,5.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,5.3
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.1
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.6
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,6.3
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,6.0
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,7.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,8.7
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,6.0
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,5.3
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.6
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.7
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.3
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.9
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,5.9
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.2
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.2
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.5
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,5.9
+Cc1[nH]nc2c1C(c1ccccc1Br)C(C#N)C(=N)O2,CHEMBL2005214,5.5
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.5
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.5
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,7.7
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.1
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.1
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,6.4
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.0
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.3
+Nc1ncnc2sccc12,CHEMBL1972934,5.1
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,5.6
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.3
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.6
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.0
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,5.3
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+CC(C)(O)c1c(-c2ccccc2)n[nH]c(=O)c1N,CHEMBL2003952,4.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.2
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.8
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.4
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.6
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,6.4
+C=C1c2ccccc2CC(CCN(C)C)c2ccccc21,CHEMBL1988201,5.5
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.6
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,6.0
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,8.3
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.2
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.3
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+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,5.9
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,6.9
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.9
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,5.9
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,5.6
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.2
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,8.0
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,6.9
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.6
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.3
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.5
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,8.9
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,5.3
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.4
+CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,CHEMBL2006674,9.5
+CN(C)c1ccc(Nc2cc(-c3csc(Br)c3)n[nH]2)cc1,CHEMBL1984236,5.9
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.3
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.7
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,7.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,5.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.9
+NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O,CHEMBL1980246,6.4
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,8.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.3
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.1
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.8
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.38
diff --git a/chembl_200/CHEMBL4072.csv b/chembl_200/CHEMBL4072.csv
new file mode 100644
index 0000000000000000000000000000000000000000..faa86cd30f4e35afda4d2c8db29950ff64564e1c
--- /dev/null
+++ b/chembl_200/CHEMBL4072.csv
@@ -0,0 +1,461 @@
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1,CHEMBL419590,5.34
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL331850,5.03
+NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1cccc2ccccc12,CHEMBL310855,7.0
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1,CHEMBL423112,7.67
+CCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(C)C)cc1)C(N)=O,CHEMBL77784,7.57
+CN(C)Cc1ccc(/C=C/c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1,CHEMBL80933,7.08
+CCN(CC)Cc1ccc(/C=C/c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1,CHEMBL80605,7.21
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2ccc(N3CCNCC3)cc2)c1,CHEMBL184514,5.42
+CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N,CHEMBL191881,8.2
+CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCNC(=N)N,CHEMBL374508,4.8
+CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL98540,6.57
+CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL99561,4.49
+CCC(C)[C@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97402,5.84
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL97493,4.46
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(CN)cc1)C(C)CC)C(=O)CO,CHEMBL96987,5.9
+CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO,CHEMBL100482,5.71
+CCCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(C)CC)C(=O)CO,CHEMBL99288,5.94
+CC(C)N1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL100017,4.89
+CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1,CHEMBL321974,5.77
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL316864,6.16
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(Cc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL419727,4.88
+O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCc2ccccc2)CC1=O)OCc1ccccc1,CHEMBL100702,5.21
+CC(C)CN1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL105708,5.34
+CCCN1CC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1=O,CHEMBL101306,4.98
+Cc1ccc(S(=O)(=O)N2CCC2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL440369,5.56
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL446429,4.92
+Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL350182,7.15
+Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL163790,5.28
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1,CHEMBL439798,5.92
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccncc1,CHEMBL134142,5.19
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC1,CHEMBL134508,5.7
+CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1,CHEMBL423704,5.55
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1,CHEMBL130114,5.52
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1,CHEMBL133634,5.0
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1,CHEMBL134283,6.47
+CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12,CHEMBL130215,6.46
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1,CHEMBL119622,6.7
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC,CHEMBL130756,6.2
+CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL132886,5.64
+CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL336649,5.38
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1,CHEMBL134173,6.36
+CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1,CHEMBL129492,5.66
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1,CHEMBL118025,5.7
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1,CHEMBL130338,6.51
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccn1,CHEMBL132839,6.7
+CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,CHEMBL116477,5.52
+CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL132587,5.42
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCc2ccccc2C1,CHEMBL3706738,5.1
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1,CHEMBL129933,6.1
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1,CHEMBL131781,6.05
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1,CHEMBL130506,6.43
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12,CHEMBL422260,6.52
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL117336,5.89
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCCO,CHEMBL133106,6.55
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C,CHEMBL132773,5.92
+CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,CHEMBL420872,5.22
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1,CHEMBL134179,5.68
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL335291,4.89
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCO,CHEMBL134121,5.35
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCO1,CHEMBL131319,5.35
+CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1,CHEMBL132586,6.12
+CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,CHEMBL325147,5.62
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1,CHEMBL335293,5.74
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccco1,CHEMBL424074,5.22
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCc2ccccc2C1,CHEMBL3706737,5.35
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL134002,5.16
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO,CHEMBL131264,5.7
+CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1,CHEMBL130107,5.6
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)O,CHEMBL314442,9.0
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(C)C,CHEMBL2028906,7.89
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028912,8.85
+CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C,CHEMBL2028913,7.37
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028921,10.52
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028911,9.52
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028910,9.89
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NNC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)C(C)C,CHEMBL3143135,7.4
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028920,8.8
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL2028919,9.6
+CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(N)=O)C(C)C,CHEMBL2028908,8.14
+CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C(=O)OC)C(C)C,CHEMBL2028907,10.06
+CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NNC(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C,CHEMBL2028909,9.92
+CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL92114,7.39
+CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(OCc2ccccc2)cc1,CHEMBL91991,7.35
+CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL89008,7.35
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL286722,7.62
+CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL88646,6.92
+CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)CCCCNS(=O)(=O)c1ccccc1,CHEMBL89100,8.4
+CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL89766,7.36
+CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL88895,7.64
+CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL315636,7.49
+NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1,CHEMBL69715,5.14
+NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1,CHEMBL407974,5.49
+CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL161817,7.37
+CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1,CHEMBL161038,6.22
+CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL161651,7.35
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1,CHEMBL162474,6.87
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL160000,6.95
+CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL352168,5.89
+CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C,CHEMBL436227,5.32
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1,CHEMBL347459,6.15
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1,CHEMBL103238,7.34
+CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL354439,6.18
+O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169560,6.97
+O=C(N[C@H](CC1C=Nc2ccccc21)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL354132,5.47
+O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169448,6.78
+CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL172456,7.92
+O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1,CHEMBL169708,5.01
+C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL353633,5.68
+CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1,CHEMBL171403,8.15
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL292513,5.68
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL64098,5.8
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1,CHEMBL65990,4.28
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1CCCCN1C(=O)OCc1ccccc1,CHEMBL62923,4.19
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1,CHEMBL62453,5.11
+CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1,CHEMBL62655,5.37
+N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1,CHEMBL3143399,4.82
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+CSC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1,CHEMBL3143406,5.39
+CC(C)[C@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL445563,5.3
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL416281,6.52
+CC(C)[C@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL84246,5.9
+CC(C)[C@@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL82887,5.34
+CC(C)[C@@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1,CHEMBL316201,5.17
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,CHEMBL118449,6.36
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1,CHEMBL57836,5.28
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL281540,5.89
+CC(C)C[C@@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C1)NC(=O)OCc1ccccc1,CHEMBL350591,7.34
+CC(C)C[C@@H](C(=O)NC1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O)N(C)C(=O)OCc1ccccc1,CHEMBL423995,5.59
+CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O,CHEMBL62239,5.11
+CN[C@@H](CC(C)C)C(=O)N1CC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1,CHEMBL2371402,5.14
+O=C(NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)NN1CCOCC1,CHEMBL3142837,6.47
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+O=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)N/C=C/S(=O)(=O)c1ccccc1)NN1CCOCC1,CHEMBL3142835,4.96
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+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O,CHEMBL114388,8.21
+CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC(C)CC,CHEMBL314777,8.43
+CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL86453,8.8
+CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1,CHEMBL264623,8.4
+CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1,CHEMBL87150,7.28
+CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C,CHEMBL313182,8.3
+NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1ccc2ccccc2c1,CHEMBL280587,7.0
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1,CHEMBL281086,6.36
+CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1=O,CHEMBL284939,7.0
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1,CHEMBL31545,7.23
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL286364,6.3
+CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL315390,5.8
+CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL2371795,5.0
+CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL2371796,5.14
+CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL2371797,5.41
+CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,CHEMBL443336,5.52
+CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC,CHEMBL184715,4.89
+CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2CCCC2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC1CC1,CHEMBL414805,4.4
+C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N,CHEMBL190121,10.11
+C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N,CHEMBL189149,5.59
+CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1,CHEMBL371420,8.89
+CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N,CHEMBL191558,9.6
+CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL426819,6.0
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2)CCCCC1,CHEMBL371133,6.38
+CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL433985,6.13
+O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1,CHEMBL407633,6.71
+O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1,CHEMBL194861,7.62
+O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cccc2ccccc12,CHEMBL194643,6.82
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1,CHEMBL200954,5.52
+CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL382971,4.15
+CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL200529,4.2
+N#CCNC(=O)C1(NC(=O)CCc2ccccc2)CCCCC1,CHEMBL372139,4.0
+N#CCNC(=O)C1(NC(=O)c2cccc(Br)c2)CCCCC1,CHEMBL200482,5.1
+N#CCNC(=O)C1(NC(=O)c2cccc(-c3ccccc3)c2)CCCCC1,CHEMBL200289,5.08
+N#CCNC(=O)C1(NC(=O)c2csc(-c3ccncc3)n2)CCCCC1,CHEMBL371771,5.03
+N#CCNC(=O)C1(NC(=O)c2ccc(N)cc2)CCCCC1,CHEMBL200203,5.0
+N#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1,CHEMBL200301,5.07
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)cc2)CCCCC1,CHEMBL370786,5.64
+N#CCNC(=O)C1(NC(=O)c2ccc(Br)s2)CCCCC1,CHEMBL200167,5.51
+CN1CCN(C(=O)c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL199487,4.89
+CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL199488,5.51
+C#Cc1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1,CHEMBL200599,5.96
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccccc3)cc2)CCCCC1,CHEMBL200619,5.89
+CN(C)c1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1,CHEMBL198859,5.28
+CN(C)c1ccc(-c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)cc1,CHEMBL383186,6.17
+CN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL440035,5.57
+CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,CHEMBL371064,5.48
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(OC4CCN(CCO)CC4)cc3)cc2)CCCCC1,CHEMBL372410,6.19
+CN1CCC(N(C)c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)C1,CHEMBL381190,6.47
+CN1CCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL200426,6.28
+CC(C)(C)N1CCN(c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL200672,6.29
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2)CCCCC1,CHEMBL370165,6.42
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(C4(F)CCNCC4)cc3)cc2)CCCCC1,CHEMBL200788,6.55
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC(F)(F)F)CC4)cc3)cc2)CCCCC1,CHEMBL197440,4.25
+CN1CCCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)C1,CHEMBL435913,6.06
+CN1CCC[C@H]1COc1ccc(-c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)cc1,CHEMBL198802,6.23
+COCCN1CCC(Oc2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL199214,6.27
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(-c4ccno4)cc3)cc2)CCCCC1,CHEMBL199014,5.74
+CC(C)(C)NC1CCN(c2ccc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cc2)CC1,CHEMBL199163,4.12
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(CN4CCOCC4)n3)cc2)CCCCC1,CHEMBL381026,5.42
+CN(C)C1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)C1,CHEMBL199470,5.77
+CN1CCC(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200455,5.85
+CN1CCN(Cc2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200506,5.82
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CC[C@@H](N)C4)n3)cc2)CCCCC1,CHEMBL200507,5.52
+CN1CCC(C)(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200166,5.96
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(OC4CCNCC4)n3)cc2)CCCCC1,CHEMBL200744,6.13
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCOCC4)n3)cc2)CCCCC1,CHEMBL199358,5.51
+CC(C)NC1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200287,6.12
+CN1CCN(N(C)c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL414669,6.05
+CC(C)N(C)C1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200596,5.85
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCN(C5CCOCC5)CC4)n3)cc2)CCCCC1,CHEMBL200543,6.08
+COCCN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200602,5.89
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)cc2)CCCCC1,CHEMBL200494,6.17
+N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCCCC5)CC4)n3)cc2)CCCCC1,CHEMBL198798,6.16
+CC(C)(C)N1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1,CHEMBL200708,6.04
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C,CHEMBL202668,7.49
+CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,CHEMBL203665,7.89
+CC(C)N(CCOCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL378731,4.66
+CC(C)C(C(=O)N[C@H](C=O)Cc1ccccc1)C(=O)OCc1ccccc1,CHEMBL206243,7.7
+CC(C)CC(C(=O)N[C@H](C=O)Cc1ccccc1)C(=O)OCc1ccccc1,CHEMBL378702,6.92
+CC(C)CN(CCOCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL205436,4.48
+COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(-c2ccccc2)o1,CHEMBL377532,4.36
+Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)c2nnc(-c3ccccc3)o2)cc1,CHEMBL383674,4.14
+CC(C)C[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,CHEMBL206525,4.74
+CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL207347,8.7
+CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210625,4.32
+CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210702,4.8
+CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210759,4.47
+CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL210712,4.6
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209293,6.14
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL379157,6.02
+CCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209216,5.14
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL209215,6.66
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccs2)o1,CHEMBL209114,6.57
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(OC)o1,CHEMBL379622,7.03
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(CC)o1,CHEMBL405602,7.01
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)C)o1,CHEMBL210535,6.37
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1,CHEMBL209181,5.0
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1,CHEMBL208566,5.96
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1,CHEMBL208577,4.64
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccc(OC)cc2)o1,CHEMBL210198,4.24
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(OC)c2)o1,CHEMBL376994,5.68
+CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccccc2)o1,CHEMBL211050,4.14
+CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL378899,7.12
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C)CC4)n3)c2)c1,CHEMBL213930,4.66
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)c1,CHEMBL212907,4.74
+CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)c1,CHEMBL211737,4.92
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCN(C(C)(C)C)CC4)n3)c2)c1,CHEMBL212879,4.43
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(CN4CCNCC4)n3)c2)c1,CHEMBL213194,4.29
+CC(C)C[C@@H](C(=O)NCC#N)c1cccc(-c2cccc(-c3csc(N4CCC(N(C)C)C4)n3)c2)c1,CHEMBL213244,4.29
+Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL211830,6.92
+CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1,CHEMBL212234,5.83
+CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1,CHEMBL379793,5.46
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12,CHEMBL378573,5.6
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1,CHEMBL378494,5.61
+COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL211105,5.83
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-],CHEMBL215866,5.34
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1,CHEMBL386555,5.26
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL209491,5.43
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,CHEMBL213405,5.16
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL213209,5.27
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1,CHEMBL213107,5.35
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(I)cc1,CHEMBL380103,5.38
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1,CHEMBL378691,6.47
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL379594,6.64
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(Br)cc1,CHEMBL213081,7.05
+O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(I)cc1,CHEMBL211477,6.96
+Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1,CHEMBL212177,5.16
+O=C(NCCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL426143,4.92
+COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1,CHEMBL215492,5.59
+Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1,CHEMBL212551,4.92
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1,CHEMBL395154,5.66
+CS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL272015,4.84
+COc1ccc(S(=O)(=O)/C=C/CNC(=O)CN2C(=O)C(COC(=O)Nc3ccc(Cl)cc3C(F)(F)F)N=C(c3ccccc3)c3ccccc32)cc1,CHEMBL271992,5.23
+O=C(CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21)NC/C=C/S(=O)(=O)c1ccccc1,CHEMBL408071,5.34
+CCS(=O)(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL270278,5.37
+CS(=O)(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL407354,4.96
+COc1ccc(S(=O)(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)CN2C(=O)[C@@H](COC(=O)Nc3ccc(Cl)cc3C(F)(F)F)N=C(c3ccccc3)c3ccccc32)cc1,CHEMBL405741,5.48
+O=C(CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL402455,5.51
+CCS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL403991,5.36
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1,CHEMBL446718,7.05
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(C(C)(C)C)ccc2o1,CHEMBL257692,5.15
+CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1,CHEMBL270792,5.68
+CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL271004,8.7
+CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272374,4.8
+CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL411498,4.47
+CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1,CHEMBL272375,4.6
+COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL525792,4.03
+O=C[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)CCc2ccccc2)CCCC1,CHEMBL470973,6.06
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,CHEMBL304784,6.82
+CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,CHEMBL513049,5.54
+CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL514348,5.96
+CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,CHEMBL486232,7.19
+CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL450459,5.08
+CN(C)C(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL453738,5.19
+COC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL453473,4.86
+CC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL509518,5.22
+CN(C)C(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL450218,6.07
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL501901,5.14
+N#C/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL504183,5.0
+Cc1cc2cc3c(cc2c(-c2ccc(N)cc2)n1)OCO3,CHEMBL609013,5.16
+CC(=O)Oc1cc2cc3c(cc2c(-c2ccc(N)cc2)n1)OCO3,CHEMBL594178,5.17
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)OC(C)(C)C)OCO4)cc1,CHEMBL594179,5.12
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2N)OCO4)cc1,CHEMBL596442,4.79
+CCOC(=O)Nn1c(-c2ccc(OC)cc2)c2cc3c(cc2cc1=O)OCO3,CHEMBL594622,4.78
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)Nc2ccc(C(C)=O)cc2)OCO4)cc1,CHEMBL594623,5.43
+COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)Nc2ccc(SC)cc2)OCO4)cc1,CHEMBL596265,5.4
+COc1ccc(-c2c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3cc(=O)n2N)cc1,CHEMBL603639,5.48
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL1086429,4.64
+CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,CHEMBL1086431,4.65
+CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,CHEMBL1086432,5.85
+CC(=O)NC[C@H](NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)C1CCCCC1,CHEMBL1086434,4.91
+COC(=O)/C=C/[C@H](CC(C)C)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,CHEMBL1171803,4.41
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL1171804,5.21
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccc(OC)cc2)c2ccccc21,CHEMBL1171634,4.96
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(OC)cc2)N=C(c2ccccc2)c2ccccc21,CHEMBL1171635,5.65
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2cccc3ccccc23)N=C(c2ccccc2)c2ccccc21,CHEMBL1171636,4.6
+CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC/C=C/C(=O)OC)C1=O,CHEMBL1171093,4.69
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)NC2CCCCC2)N=C(c2ccccc2)c2ccccc21,CHEMBL1171094,4.91
+COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)N=C(c2ccccc2)c2ccccc21,CHEMBL1171802,4.86
+C=CCSS(=O)CC=C,CHEMBL359965,5.07
+CCCSS(=O)CCC,CHEMBL1224166,4.81
+O=S(Cc1ccccc1)SCc1ccccc1,CHEMBL1224167,5.11
+CC(C)CCSS(=O)CCC(C)C,CHEMBL1224170,4.72
+CCCCCCSS(=O)CCCCCC,CHEMBL1224171,5.23
+CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1,CHEMBL1242959,5.16
+COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1,CHEMBL1240874,5.63
+CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O,CHEMBL1242986,6.12
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O,CHEMBL1240875,6.36
+CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1,CHEMBL1242987,5.85
+CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc21,CHEMBL1240873,6.06
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C,CHEMBL1242932,4.12
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc21,CHEMBL1240872,5.76
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+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)NCC#N,CHEMBL2153164,5.29
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc(-c2ccccc2)cs1)C(=O)NCC#N,CHEMBL2153165,5.19
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2ccsc2)s1)C(=O)NCC#N,CHEMBL2153166,5.27
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)NCC#N,CHEMBL2153167,4.47
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)NCC#N,CHEMBL2153168,5.41
+CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(-c2cccs2)s1)C(=O)NCC#N,CHEMBL2153169,5.47
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N,CHEMBL2153170,5.17
+CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N,CHEMBL2153171,5.14
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N,CHEMBL2153172,4.62
+CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N,CHEMBL2153161,8.24
+CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N(C)N(C)C#N)CCCCC3)c(=O)oc2c1,CHEMBL2203962,6.85
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+CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])c2cccnc2c1O,CHEMBL2312219,4.13
+CCOC(=O)N1CCN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)CC1,CHEMBL2312218,4.06
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+CCNCc1cc([N+](=O)[O-])c2cccnc2c1O,CHEMBL2312213,4.09
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+O=[N+]([O-])c1cc(CN2CCN(Cc3ccncc3)CC2)c(O)c2ncccc12,CHEMBL2312211,4.03
+NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382061,4.0
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+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O,CHEMBL2382073,4.1
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381998,4.11
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382004,4.13
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382000,4.24
+NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382060,4.25
+NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCN1)C(N)=O,CHEMBL2382076,4.29
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccs2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2382005,4.41
+NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2cccc(N)c2)cc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL2381999,4.42
+CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1,CHEMBL2382067,4.59
+CCc1ccccc1S(=O)(=O)C1CO1,CHEMBL2387617,4.07
+N#CCNC(=O)C1(NC(=O)CCC2CCCC2)CCCCC1,CHEMBL3218471,4.6
+N#CCNC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1,CHEMBL3218473,5.3
+O=CCNC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1,CHEMBL3218476,5.87
+CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O,CHEMBL3289840,5.3
+CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O,CHEMBL3289845,4.92
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+CN(C(=O)OC(C)(C)C)N(C#N)CC(=O)N1CCOCC1,CHEMBL3342186,6.71
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1,CHEMBL3342185,9.39
+CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C,CHEMBL3342184,9.34
+CC(C)(C)OC(=O)NN(C#N)CC(=O)N1CCOCC1,CHEMBL3342183,8.45
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640731,7.34
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(C#N)CC1,CHEMBL3640708,7.36
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCO2)C(=O)NC1(C#N)CC1,CHEMBL3640709,6.25
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)NC1(C#N)CC1,CHEMBL3640710,5.35
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(C#N)CC1,CHEMBL3640711,5.92
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(C#N)CC1,CHEMBL3640712,5.66
+N#CC1(NC(=O)C2(NC(=O)N3CCC4(CCCC4)CC3)CCCCC2)CC1,CHEMBL3640713,5.82
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640714,6.68
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640715,6.59
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CC3)CC1,CHEMBL3640716,6.96
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCC(C)(C)O2)C(=O)NC1(C#N)CC1,CHEMBL3640718,6.03
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640719,6.66
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)C(=O)NC1(C#N)CC1,CHEMBL3640720,6.28
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCc3ccccc32)C1)C(=O)NC1(C#N)CC1,CHEMBL3640721,6.21
+CC(F)(F)C[C@H](NC(=O)N1CCOC12CCCCC2)C(=O)NC1(C#N)CC1,CHEMBL3640722,5.41
+CC(F)(F)C[C@H](NC(=O)N1CC2(CCN(C3CC3)CC2)C1)C(=O)NC1(C#N)CC1,CHEMBL3640723,5.64
+CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640724,6.51
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(c1ccc(OC)cc1)C2)C(=O)NC1(C#N)CC1,CHEMBL3640725,6.85
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(C1CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640726,7.08
+N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CCN(C2CC2)CC3)CC1,CHEMBL3640727,7.0
+CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1,CHEMBL3640728,7.21
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+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1,CHEMBL3648398,6.11
+O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648404,5.22
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648411,6.36
+O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1,CHEMBL3648405,6.19
+O=C(N[C@H](C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,CHEMBL3648412,5.3
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N,CHEMBL200557,5.46
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N,CHEMBL371499,5.29
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)NCC#N,CHEMBL380560,5.27
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N,CHEMBL200374,4.43
+CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N,CHEMBL200160,4.03
+CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N,CHEMBL200161,4.49
+N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL200235,5.41
+N#CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805807,6.9
+N#CCNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805662,6.757000000000001
+N#CCNC(=O)[C@H](Cc1cccc(-c2ccccc2)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3804975,5.91
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3806231,4.62
+N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL3804928,4.48
+N#C[C@H](COCc1cn(CC(=O)O)nn1)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805093,7.553
+CSCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3805185,6.48
+CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC#N,CHEMBL3805868,5.75
+COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)OCc3ccccc3)Cc3ccc([N+](=O)[O-])c(c3)Oc3ccc(cc3)C[C@@H](C(=O)N[C@H](C=O)CC(C)C)NC2=O)cc1,CHEMBL3805992,4.52
+CC(C)C[C@@H](C=O)NC(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2[N+](=O)[O-])C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1,CHEMBL3806032,5.52
+COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)CC(C)C)cc1,CHEMBL3804980,5.64
diff --git a/chembl_200/CHEMBL4101.csv b/chembl_200/CHEMBL4101.csv
new file mode 100644
index 0000000000000000000000000000000000000000..807f51657b580c968d8f733005cc19f0a27b3884
--- /dev/null
+++ b/chembl_200/CHEMBL4101.csv
@@ -0,0 +1,430 @@
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,6.8
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+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,6.3
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.8
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,7.1
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.7
+CCn1c(-c2nonc2N)nc2ccccc21,CHEMBL365286,6.02
+Nc1nonc1-c1nc2ccccc2n1C1CCC1,CHEMBL1079294,6.27
+Nc1nonc1-c1nc2ccccc2n1C1CCCC1,CHEMBL1079295,6.14
+Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,CHEMBL1078929,6.22
+Nc1nonc1-c1nc2ccccc2n1CC1CC1,CHEMBL1078930,6.42
+Nc1nonc1-c1nc2ccccc2n1CC1CCC1,CHEMBL1078820,5.85
+CC(C)Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1079040,5.96
+Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,CHEMBL1078426,5.89
+Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1,CHEMBL1079032,5.55
+Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080071,7.47
+COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080072,5.6
+Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1079135,5.59
+Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1,CHEMBL1080970,5.82
+CC(C)Cn1cc(-c2ccccc2)nc1-c1nonc1N,CHEMBL1079243,5.92
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.7
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.1
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.6
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.6
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.4
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.2
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,5.5
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,6.0
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.4
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.6
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,6.6
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,6.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.0
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.5
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.4
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.4
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.7
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.1
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.9
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.0
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.9
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.9
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.4
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.5
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,6.2
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,6.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.0
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.7
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.4
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.5
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.7
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.5
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,6.8
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.4
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.2
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.6
+COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1964340,6.8
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.5
+CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1967662,7.5
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.6
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,6.5
+NC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1C(F)(F)F,CHEMBL1997554,6.7
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.2
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.9
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,7.1
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.6
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.8
+Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,CHEMBL1990496,5.7
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,6.6
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,6.7
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,6.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.7
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.3
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,5.3
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.4
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.1
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.8
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,6.4
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,6.8
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,5.2
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.6
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.8
+CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1,CHEMBL1969221,6.2
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.5
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,6.3
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,5.3
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,7.0
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.7
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.9
+CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1969920,7.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.9
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,6.4
+Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccncc2)c1,CHEMBL1999496,5.5
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.1
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.7
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.2
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,5.9
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.6
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.2
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.6
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,5.0
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.4
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,5.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.3
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,8.0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,8.5
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.2
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,6.8
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.4
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,6.2
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.6
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.3
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,5.6
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.2
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,5.2
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.2
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,6.3
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.4
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.5
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,6.1
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,6.1
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,6.3
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,7.1
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,6.2
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.2
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,6.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.3
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,8.1
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.9
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,5.7
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.85
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,5.3
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.5
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.3
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,5.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.1
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.1
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,6.2
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,5.4
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.9
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.3
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,5.5
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,6.1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,6.9
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,5.0
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,6.5
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,6.0
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,4.4
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.9
+Cc1c(O)ccc2c1CCCC2=NNC(=O)Cc1cccc2ccccc12,CHEMBL1972659,6.4
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.9
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.5
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,6.7
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.4
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.7
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.3
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.6
+COc1cccc(CNC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2004159,6.5
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.8
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.6
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,5.4
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,7.8
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.3
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.0
+C(=Cc1ccc2nccn2n1)c1ccccc1,CHEMBL1988622,5.3
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.5
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,8.3
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.2
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.4
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL95692,5.9
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,6.7
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.9
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,6.1
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,8.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.6
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,6.6
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,6.2
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.5
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,6.0
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.0
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.1
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,5.9
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.0
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,6.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.7
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.1
+Nc1nccc(-c2ccccc2)n1,CHEMBL1834385,5.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.0
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.0
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.9
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.9
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,7.2
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,5.5
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.7
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.4
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.0
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.9
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,5.9
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.1
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,7.5
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.4
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,6.1
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,7.9
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.3
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,7.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,7.3
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,7.4
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.9
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.0
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,7.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.2
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.1
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.7
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,7.1
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,CHEMBL1971606,6.0
+CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,CHEMBL1999279,7.9
+NCCOc1cccc(Nc2ccnc(N)n2)c1,CHEMBL1995448,5.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.3
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,6.4
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.2
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.6
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.5
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.7
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.8
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,6.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.1
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.2
+O=C(NCc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1,CHEMBL1970709,6.5
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.0
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.8
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.5
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,7.6
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.4
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.1
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,8.2
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.1
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.1
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.4
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,6.4
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,5.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.7
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.8
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.8
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.9
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.4
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,7.2
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.5
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.0
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,5.3
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,7.5
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,6.0
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,7.0
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.2
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,5.8
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,8.5
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.5
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.4
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,8.4
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,7.2
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.3
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,7.3
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.5
+CN(C)c1ncnc2nc[nH]c12,CHEMBL407391,4.8
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.0
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,7.7
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.9
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.8
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,5.4
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1985580,6.7
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.3
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,6.3
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,6.2
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.6
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,7.6
+c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,CHEMBL213207,6.7
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,6.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.6
+O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL2002202,4.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.7
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,7.9
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,7.0
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,7.5
+FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1999153,7.2
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.1
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.5
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,6.1
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.8
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,7.1
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,6.5
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.9
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.1
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,7.7
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,8.4
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.0
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.3
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.9
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,5.4
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,7.4
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,5.0
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.6
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.9
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.9
+COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2006299,7.4
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,5.8
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.3
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.5
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,5.0
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,6.6
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,6.5
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.7
+O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1,CHEMBL1614705,5.9
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,5.9
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.3
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.6
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,7.5
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.2
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.9
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,7.3
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,5.9
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.1
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)nc2)c1,CHEMBL2003514,6.9
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,4.3
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,7.4
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,6.5
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,7.6
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.7
+O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,7.5
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.6
+Nc1ncnc2sccc12,CHEMBL1972934,4.5
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,5.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,7.3
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.1
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.2
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,5.4
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,7.3
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,5.9
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.5
+CC1CCN(C(=O)CC#N)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1966175,6.3
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.3
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,7.3
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,6.8
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,7.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.0
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,6.2
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,6.4
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,5.1
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,5.2
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.8
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,6.2
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.7
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,8.4
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,6.9
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,6.0
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL1996780,5.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.7
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,6.7
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,6.3
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.6
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.1
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.7
+c1ccc(C2CCc3[nH]ncc32)cc1,CHEMBL1965683,4.4
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.4
+O=c1cc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)[nH]o1,CHEMBL3401979,6.23
+NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401983,6.31
+OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401984,6.64
+Cc1noc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)n1,CHEMBL3401988,5.96
+CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401990,5.82
+COc1cccc(CC(=O)Nc2cc(-c3ccncn3)cs2)c1,CHEMBL3581138,5.54
+COc1cccc(CC(=O)Nc2nnc(-c3ccncc3)s2)c1,CHEMBL3581136,5.77
+COc1cccc(CC(=O)Nc2nc(-c3ccncc3)ns2)c1,CHEMBL3581135,6.3
+COc1cccc(CC(=O)Nc2ccc(-c3ccncc3)s2)c1,CHEMBL3581134,5.97
+COc1cccc(CC(=O)Nc2csc(-c3ccncc3)c2)c1,CHEMBL3581133,5.62
+COc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1,CHEMBL3581132,6.22
+COc1cccc(CC(=O)Nc2cnc(-c3ccncc3)s2)c1,CHEMBL3581131,6.28
+COc1cccc(C2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1,CHEMBL3581129,5.64
+O=C(Cc1ccc2c(c1Cl)OCO2)Nc1nc(-c2ccncc2)cs1,CHEMBL3581126,6.51
+O=C(Cc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581123,5.77
+COc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3581121,5.6
+O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581119,5.8
+O=C(Cc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581118,5.7
+O=C(Cc1ccccc1F)Nc1nc(-c2ccncc2)cs1,CHEMBL3581117,5.68
+O=C(Cc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581116,5.46
+COc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581140,5.73
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1,CHEMBL3581146,6.11
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1,CHEMBL3580669,5.52
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1,CHEMBL3581147,5.66
+COc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581149,6.85
+CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1,CHEMBL3581150,6.07
diff --git a/chembl_200/CHEMBL4124.csv b/chembl_200/CHEMBL4124.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f06e29275a6d85b682aebef0a79a05766f2bede8
--- /dev/null
+++ b/chembl_200/CHEMBL4124.csv
@@ -0,0 +1,1455 @@
+O=C(CCCc1ccc(I)cc1)OCCCc1cnc[nH]1,CHEMBL20338,7.43
+O=C(Nc1ccccc1I)OCCCc1cnc[nH]1,CHEMBL282688,7.6
+O=C(OCCCc1cnc[nH]1)c1ccc(I)cc1,CHEMBL20295,7.832999999999999
+OCCCc1cnc[nH]1,CHEMBL555594,6.3
+COc1ccc(CCC(=O)OCCCc2cnc[nH]2)cc1I,CHEMBL20147,6.643
+O=C(Nc1ccc(I)cc1)OCCCc1cnc[nH]1,CHEMBL16874,8.004
+O=C(Nc1cccc(I)c1)OCCCc1cnc[nH]1,CHEMBL20064,7.9
+O=C(CCc1ccc(I)cc1)OCCCc1cnc[nH]1,CHEMBL423473,7.242999999999999
+O=C(OCCCc1cnc[nH]1)c1ccccc1I,CHEMBL20191,7.502999999999999
+O=C(Cc1ccc(I)cc1)OCCCc1cnc[nH]1,CHEMBL277227,7.882999999999999
+O=C(NCc1ccc(I)cc1)OCCCc1cnc[nH]1,CHEMBL16496,7.91
+Cc1nc[nH]c1CSCCNC(=N)NCCCc1cnc[nH]1,CHEMBL12608,7.3
+O=C(CCCc1ccccc1)NCCc1cnc[nH]1,CHEMBL12494,7.1
+O=C(CCCc1ccccn1)NCCc1cnc[nH]1,CHEMBL276903,6.0
+O=C(Cc1ccccc1)NCCc1cnc[nH]1,CHEMBL12025,6.0
+O=C(CCc1ccccc1)NCCc1cnc[nH]1,CHEMBL12550,6.2
+O=C(CCCCc1ccccc1)NCCc1cnc[nH]1,CHEMBL12459,6.7
+O=C(CCC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1,CHEMBL12551,6.0
+O=C(CCCc1cnc[nH]1)NCCc1cnc[nH]1,CHEMBL416338,6.0
+c1ccc(CCCCNCCc2cnc[nH]2)cc1,CHEMBL275090,6.2
+O=C(CCCC1CCCCC1)NCCc1cnc[nH]1,CHEMBL12875,7.3
+O=C(NCc1ccc([N+](=O)[O-])cc1)OCCCc1cnc[nH]1,CHEMBL16338,7.81
+O=C(NCCCc1ccccc1)OCCCc1cnc[nH]1,CHEMBL16639,7.595
+O=C(NCCc1ccccc1)OCCCc1cnc[nH]1,CHEMBL274262,8.0
+O=C(NCc1ccc(F)cc1)OCCCc1cnc[nH]1,CHEMBL263070,7.62
+C[C@@H](NC(=O)OCCCc1cnc[nH]1)c1ccccc1,CHEMBL16401,7.195
+O=C(Nc1ccccc1C(F)(F)F)OCCCc1cnc[nH]1,CHEMBL16373,7.61
+O=C(Nc1ccc([N+](=O)[O-])cc1)OCCCc1cnc[nH]1,CHEMBL15883,7.69
+O=C(Nc1ccc(F)cc1)OCCCc1cnc[nH]1,CHEMBL274989,7.61
+Nc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1,CHEMBL277285,6.285
+O=C(Nc1ccccc1)OCCCc1cnc[nH]1,CHEMBL16142,7.875
+O=C(NCc1ccc(C(F)(F)F)cc1)OCCCc1cnc[nH]1,CHEMBL16654,7.91
+O=C(NCc1ccc(Cl)cc1)OCCCc1cnc[nH]1,CHEMBL277149,7.875
+O=C(NCc1cccc(CNC(=O)OCCCc2cnc[nH]2)c1)OCCCc1cnc[nH]1,CHEMBL415989,7.3
+O=C(Nc1ccc2ccccc2c1)OCCCc1cnc[nH]1,CHEMBL16274,6.92
+O=C(NCC1CCCC1)OCCCc1cnc[nH]1,CHEMBL16407,7.495
+O=C(Nc1cccc([N+](=O)[O-])c1)OCCCc1cnc[nH]1,CHEMBL279617,7.68
+O=C(NCC1CCC1)OCCCc1cnc[nH]1,CHEMBL16957,7.875
+O=C(NCc1ccccc1)OCCCc1cnc[nH]1,CHEMBL16592,7.98
+O=C(NCC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL16056,7.98
+CCN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1,CHEMBL273549,7.18
+O=C(Nc1cccc(C(F)(F)F)c1)OCCCc1cnc[nH]1,CHEMBL16108,7.71
+O=C(Nc1ccc(Br)cc1)OCCCc1cnc[nH]1,CHEMBL277989,7.72
+O=C(NCc1ccco1)OCCCc1cnc[nH]1,CHEMBL16331,7.39
+O=C(Nc1ccc(Cl)cc1)OCCCc1cnc[nH]1,CHEMBL16231,8.39
+O=C(Nc1ccc(C(F)(F)F)cc1)OCCCc1cnc[nH]1,CHEMBL16565,7.81
+O=C(Nc1ccccc1[N+](=O)[O-])OCCCc1cnc[nH]1,CHEMBL16109,7.51
+O=C(NCc1cccc([N+](=O)[O-])c1)OCCCc1cnc[nH]1,CHEMBL277537,7.895
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL318801,6.9
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1,CHEMBL104669,7.29
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1,CHEMBL105268,5.95
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1,CHEMBL105385,6.72
+N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1,CHEMBL105267,7.2
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1,CHEMBL105952,6.21
+N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1,CHEMBL102452,6.89
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1,CHEMBL318320,7.01
+N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,CHEMBL25688,7.38
+CN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1,CHEMBL16404,7.39
+O=C(NN1CCC(c2ccccc2)CC1)OCCCc1cnc[nH]1,CHEMBL15813,6.99
+Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1,CHEMBL49532,8.0
+CC(=O)c1cccc(OCCCc2cnc[nH]2)c1,CHEMBL2112499,7.7
+FC(F)(F)c1cccc(SCCc2cnc[nH]2)c1,CHEMBL109761,7.64
+O=[N+]([O-])c1cccc(OCCCc2cnc[nH]2)c1,CHEMBL110957,8.03
+CC(C)(C)c1cccc(OCCCc2cnc[nH]2)c1,CHEMBL112850,7.66
+CC(C)c1cccc(OCCCc2cnc[nH]2)c1,CHEMBL332268,7.54
+CCc1cccc(OCCCc2cnc[nH]2)c1,CHEMBL113077,7.82
+NCCc1cnc[nH]1,CHEMBL90,8.2
+NC(/C=C/C1CC1c1cnc[nH]1)CC1CCCCC1,CHEMBL1160082,9.4
+CC(C)(C)CC#CC1CC1c1cnc[nH]1,CHEMBL45369,9.74
+O=C(Cc1ccc(Cl)cc1)OCCCc1cnc[nH]1,CHEMBL45370,7.85
+N=C(Cc1ccc(Cc2cnc[nH]2)cc1)NCc1ccc(Cl)cc1,CHEMBL73053,8.15
+CCCC#CCCc1cnc[nH]1,CHEMBL276804,7.57
+CCC#CCCc1cnc[nH]1,CHEMBL14721,7.1
+CC(C)CCC#CCCc1cnc[nH]1,CHEMBL14497,8.43
+COc1ccc(C/C(=N\O)C(=O)NCCc2cnc[nH]2)cc1Br,CHEMBL15075,9.3
+CC(C)(C)CCC#CCCc1cnc[nH]1,CHEMBL280076,9.1
+Cn1cncc1CCN,CHEMBL14722,9.0
+C(#CCCC1CCCCC1)CCc1cnc[nH]1,CHEMBL15000,8.54
+C(#CCCC1CCCC1)CCc1cnc[nH]1,CHEMBL274977,9.035
+Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL276798,8.175
+C(#CCCc1cnc[nH]1)CCCCc1ccccc1,CHEMBL14811,8.46
+O=C(CCCCC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,CHEMBL14812,7.4
+CC(=O)c1ccc(SCCc2cnc[nH]2)cc1,CHEMBL367117,9.96
+CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1,CHEMBL424365,7.36
+CC(=O)c1ccc(OCCCCc2cnc[nH]2)cc1,CHEMBL368948,7.44
+COc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL369714,8.1
+CCc1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1,CHEMBL161456,8.39
+CC(C)c1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1,CHEMBL158056,8.68
+CC(C)CC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL161565,7.96
+COc1ccc(C(=O)N[C@H](C)C(=O)N2CCCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1,CHEMBL350385,8.96
+CC(C)C(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL161538,7.85
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CCCCC4)n3)c(F)c2)CC1,CHEMBL161346,8.62
+CC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL347251,8.7
+CCCCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL161785,8.85
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CCc4ccccc4)n3)c(F)c2)CC1,CHEMBL443817,9.03
+C[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL348328,8.82
+C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL345678,8.28
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4ccsc4)n3)c(F)c2)CC1,CHEMBL161627,8.59
+C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL351192,8.92
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CCCC4)n3)c(F)c2)CC1,CHEMBL161202,9.07
+C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL423786,8.3
+C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL346710,8.74
+C[C@@H](NC(=O)c1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL347909,8.89
+C[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL159078,8.82
+C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL161279,8.64
+CCCCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL161568,8.59
+C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL350649,8.55
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL62803,8.815
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4cccnc4)n3)c(F)c2)CC1,CHEMBL351497,8.16
+C[C@@H](NC(=O)c1ccsc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL347262,8.38
+C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL350818,8.0
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+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CCCCCC4)n3)c(F)c2)CC1,CHEMBL158228,8.48
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(Cc4ccccc4)n3)c(F)c2)CC1,CHEMBL158765,8.8
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+C[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL345143,8.59
+C[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL161138,8.92
+CC(C)CCc1nc(-c2ccc(OCCCN3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1,CHEMBL158714,9.25
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1,CHEMBL158659,8.39
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(-c4cncs4)n3)c(F)c2)CC1,CHEMBL161232,8.21
+C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL158532,8.17
+C[C@@H](N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CC4)n3)c(F)c2)CC1,CHEMBL161646,8.52
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+C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL161376,8.15
+COc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1,CHEMBL351918,8.72
+C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,CHEMBL346711,8.55
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1,CHEMBL104994,6.82
+Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL107293,8.38
+CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL101584,5.0
+CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1,CHEMBL102840,8.22
+C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1)C(=O)O,CHEMBL104106,6.38
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1,CHEMBL104808,8.46
+CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL105071,8.28
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1,CHEMBL101634,7.26
+O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)cc2)cc1)C1CC1,CHEMBL320639,6.59
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+CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL102925,8.34
+CCS(=O)(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL102283,6.92
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1,CHEMBL430502,7.4
+Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL103027,8.57
+O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)cc1)C1CC1,CHEMBL419176,6.87
+CC(C)(C)OC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL316524,7.15
+CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1,CHEMBL319231,5.965
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL320174,6.05
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+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1,CHEMBL102331,7.43
+N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL101748,8.55
+C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL321973,5.66
+C[C@H](NC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1)C(=O)O,CHEMBL106069,6.63
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1,CHEMBL104618,8.57
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1,CHEMBL321320,8.52
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1,CHEMBL104344,8.42
+Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,CHEMBL322678,8.0
+C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL104236,6.51
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL102390,6.51
+O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccccn2)cc1)C1CC1,CHEMBL105224,6.72
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1,CHEMBL102384,8.43
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1,CHEMBL321709,8.3
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL103828,6.51
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1,CHEMBL101691,8.52
+N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,CHEMBL420108,7.96
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1,CHEMBL322695,6.69
+O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1,CHEMBL323517,7.3
+O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)cc1)C1CC1,CHEMBL318575,6.46
+O=C(O)CCNC(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1,CHEMBL2112452,7.77
+CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1,CHEMBL316968,6.23
+N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL2112451,8.4
+O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1,CHEMBL104809,8.8
+Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,CHEMBL102929,7.96
+COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,CHEMBL107162,8.54
+CC1CCCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL161130,7.86
+CC1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161781,8.19
+N#Cc1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1,CHEMBL161825,7.23
+N#Cc1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1,CHEMBL161133,7.3
+O=C(c1ccc(-c2ccc3oc(CCN4CC[C@@H](O)C4)cc3c2)cc1)N1CCOCC1,CHEMBL2112921,7.46
+N#Cc1ccc(-c2ccc3oc(CCn4ccnc4)cc3c2)cc1,CHEMBL162536,5.66
+N#Cc1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)cc1,CHEMBL350007,7.36
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@H]4CO)cc3c2)cc1,CHEMBL160113,7.59
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL161142,7.31
+O=C(c1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CO)cc3c2)nc1)N1CCOCC1,CHEMBL159343,6.96
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL350639,7.59
+O=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL422360,7.535
+O=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)nc1)N1CCOCC1,CHEMBL436237,6.59
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CC(=O)O)cc3c2)cc1,CHEMBL158774,5.795
+N#Cc1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)cc1,CHEMBL161624,7.02
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL159617,8.16
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)cc1)N1CCOCC1,CHEMBL346562,8.0
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1)N1CCOCC1,CHEMBL159565,8.21
+CC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3o2)CC1,CHEMBL159463,6.82
+N#Cc1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)cc1,CHEMBL439645,7.33
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL159519,8.18
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL159087,8.795
+CN(C)[C@@H]1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)C1,CHEMBL159648,7.2
+CN(C)[C@H]1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)C1,CHEMBL159281,6.855
+C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161796,7.38
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL162591,7.665
+N#Cc1ccc(-c2ccc3oc(CCN4CCC[C@@H]4CO)cc3c2)cc1,CHEMBL159282,6.79
+CC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc3o2)CC1,CHEMBL158164,7.37
+O=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)nc1)N1CCOCC1,CHEMBL159858,7.48
+O=C(c1ccc(-c2ccc3oc(CCN4CCC[C@H]4CO)cc3c2)cc1)N1CCOCC1,CHEMBL345588,8.16
+O=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1,CHEMBL161101,7.77
+O=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1,CHEMBL159913,7.17
+CC1CCCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL161534,7.35
+O=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)cc1)N1CCOCC1,CHEMBL161198,6.795
+CC1CCN(CCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)CC1,CHEMBL158740,7.795
+N[C@H]1C[C@H]1c1cnc[nH]1,CHEMBL294061,5.86
+NC[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL302231,7.65
+NC[C@H]1C[C@H]1c1cnc[nH]1,CHEMBL292924,7.19
+NCC[C@H]1C[C@H]1c1cnc[nH]1,CHEMBL418470,8.32
+NC[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL292558,8.0
+NCC[C@@H]1C[C@@H]1c1cnc[nH]1,CHEMBL60716,8.88
+N[C@@H]1C[C@@H]1c1cnc[nH]1,CHEMBL59389,7.04
+NC[C@@H]1C[C@@H]1c1cnc[nH]1,CHEMBL305135,8.6
+CCNC(=O)OCCCc1cnc[nH]1,CHEMBL157893,6.5
+c1ncc(CCCOc2ccc3c(c2)CCCC3)[nH]1,CHEMBL338613,7.35
+O=C(Cc1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL340375,8.23
+c1ncc(CCCOc2ccc3c(c2)CCC3)[nH]1,CHEMBL129284,7.42
+C#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL309600,8.64
+N#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL113030,7.92
+CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1C(F)(F)F,CHEMBL131531,7.785
+O=C(O)CCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL552773,7.31
+Cc1nc[nH]c1CSCCNC(=N)N[C@@H](C)Cc1cnc[nH]1,CHEMBL417980,7.4
+Cc1nc[nH]c1CSCCNC(=N)N[C@H](C)Cc1cnc[nH]1,CHEMBL275803,7.22
+C(#CC1CC1c1cnc[nH]1)CCC1CCCCC1,CHEMBL353905,8.74
+C(#CC1CC1c1cnc[nH]1)CCC1CCCC1,CHEMBL170651,8.84
+CC(C)(C)CCC#C[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL354374,8.28
+C(#CC1CC1c1cnc[nH]1)CCCCc1ccccc1,CHEMBL170505,7.8
+CC(C)CCC#CC1CC1c1cnc[nH]1,CHEMBL434495,8.19
+CCCCCC#CCCc1cnc[nH]1,CHEMBL169929,8.25
+CCCCCCCC#CCCc1cnc[nH]1,CHEMBL170723,8.55
+CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1,CHEMBL278462,9.838
+C#CCCc1cnc[nH]1,CHEMBL170104,7.18
+CCCC#CC1CC1c1cnc[nH]1,CHEMBL170598,8.29
+N#CCc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL326993,7.26
+CN(C)S(=O)(=O)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL112858,7.11
+COC(=O)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL112670,8.575
+C/C(=N\O)c1ccc(OCCCc2cnc[nH]2)cc1C,CHEMBL115091,8.875
+O=[N+]([O-])c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL114326,8.25
+CC(NO)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL322481,9.015
+C(=C/CCc1cnc[nH]1)\CCc1ccccc1,CHEMBL292250,7.38
+c1ccc(CCCCCCc2cnc[nH]2)cc1,CHEMBL303121,7.06
+CCCCCCCCCc1cnc[nH]1,CHEMBL60410,6.4
+CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL112723,7.895
+CC(C)(C)C(=O)OCCCc1cnc[nH]1,CHEMBL129954,5.76
+C[C@@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL1788227,7.89
+O=C(NC(c1ccccc1)C1CCCCC1)OCCCc1cnc[nH]1,CHEMBL131476,7.275
+CC(C)(C)CCOCCCN1CCCCC1,CHEMBL130331,6.52
+C[C@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C,CHEMBL2092970,8.0
+O=C(NC(c1ccccc1)C1CC1)OCCCc1cnc[nH]1,CHEMBL128585,7.38
+CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1,CHEMBL128635,8.295
+CC(C)(C)CCOCCCc1cnc[nH]1,CHEMBL110098,8.0
+O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1,CHEMBL340932,7.98
+CC#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL132798,8.12
+CC(C)(C)C#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL133793,6.91
+CCCC#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL134902,6.85
+C[Si](C)(C)C#Cc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL132686,7.44
+O=C(NCc1cccs1)OCCCc1cnc[nH]1,CHEMBL278025,7.74
+O=C(NCC1CC1)OCCCc1cnc[nH]1,CHEMBL16524,7.28
+O=C(NC(=O)c1ccccc1)OCCCc1cnc[nH]1,CHEMBL16682,7.02
+CC(NC(=O)OCCCc1cnc[nH]1)c1ccccc1,CHEMBL16876,7.31
+Cc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1,CHEMBL16348,7.96
+O=C(NC1CCCCC1)OCCCc1cnc[nH]1,CHEMBL16593,7.16
+C[C@H](NC(=O)OCCCc1cnc[nH]1)c1ccccc1,CHEMBL280001,7.02
+O=C(OCCCc1cnc[nH]1)N(c1ccccc1)c1ccccc1,CHEMBL263071,6.78
+CN(C)c1ccc(NC(=O)OCCCc2cnc[nH]2)cc1,CHEMBL16319,7.47
+O=C(NCc1cccc(C(F)(F)F)c1)OCCCc1cnc[nH]1,CHEMBL418172,8.09
+Nc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1,CHEMBL15842,6.45
+O=C(Nc1ccc(OC(F)(F)F)cc1)OCCCc1cnc[nH]1,CHEMBL16640,7.59
+S=C(Nc1ccccc1)OCCCc1cnc[nH]1,CHEMBL15830,7.25
+O=C(CCCOCCCc1cnc[nH]1)c1ccc(F)cc1,CHEMBL93376,7.85
+C=CCCCOCCCc1cnc[nH]1,CHEMBL89158,7.57
+CCOCCCc1cnc[nH]1,CHEMBL328758,6.22
+CCCOCCCc1cnc[nH]1,CHEMBL90968,6.62
+C=CCOCCCc1cnc[nH]1,CHEMBL91361,6.7
+C#CCOCCCc1cnc[nH]1,CHEMBL88958,6.71
+COCCCc1cnc[nH]1,CHEMBL92168,6.52
+N#CCCOCCCc1cnc[nH]1,CHEMBL412673,6.17
+CC(C)(C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL135353,7.64
+CC(C)(C)CC(C)(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL135648,7.38
+OC(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL309302,9.24
+CCCCc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL419654,7.22
+O=C(c1ccc(OCCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL77039,6.95
+OCCCC1(c2ccc(OCCCc3cnc[nH]3)cc2)OCCO1,CHEMBL76381,7.4
+O=C(CCCO)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL80885,7.52
+O=C(c1ccc(OCCc2cnc[nH]2)cc1)C1CC1,CHEMBL76440,8.68
+O/N=C(/c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1,CHEMBL80348,8.36
+FC(F)(F)c1cc(OCCCc2cnc[nH]2)cc(C(F)(F)F)c1,CHEMBL322145,6.94
+FC(F)(F)c1cccc(SCCCc2cnc[nH]2)c1,CHEMBL326846,7.42
+Brc1cccc(OCCCc2cnc[nH]2)c1,CHEMBL110258,7.72
+FC(F)(F)c1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL320970,7.85
+FC(F)(F)c1cccc(OCCc2cnc[nH]2)c1,CHEMBL113738,7.74
+FC(F)(F)c1cccc(CCCCc2cnc[nH]2)c1,CHEMBL109498,7.42
+FC(F)(F)c1cccc(OCCCc2cnc[nH]2)c1,CHEMBL322039,8.08
+Cc1cccc(OCCCc2cnc[nH]2)c1,CHEMBL110414,7.43
+N#Cc1cccc(OCCCc2cnc[nH]2)c1,CHEMBL110582,6.97
+N#Cc1ccccc1OCCc1cnc[nH]1,CHEMBL127195,6.32
+N#Cc1cccc(OCCc2cnc[nH]2)c1,CHEMBL127405,7.41
+CCC(=O)c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL340196,8.43
+COC(=O)c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL127404,8.29
+FC(F)(F)c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL264817,7.17
+O=[N+]([O-])c1ccc(CSCc2cnc[nH]2)cc1,CHEMBL125261,6.5
+c1ccc2c(OCCc3cnc[nH]3)cccc2c1,CHEMBL332730,6.86
+O=C(c1ccc(OCCc2cnc[nH]2)cc1)N1CCCCC1,CHEMBL339606,6.47
+Cc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL125947,7.25
+O=[N+]([O-])c1ccc(NCCc2cnc[nH]2)nc1,CHEMBL419574,7.62
+CCCc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL125775,7.72
+O=[N+]([O-])c1cccc(OCCc2cnc[nH]2)c1,CHEMBL127575,7.92
+N#Cc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL123857,8.05
+Fc1ccc(OCCCc2cnc[nH]2)cc1,CHEMBL338887,7.96
+O=[N+]([O-])c1ccc(SCCc2cnc[nH]2)nc1,CHEMBL112504,8.32
+O=[N+]([O-])c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL341499,7.46
+O=C(c1ccccc1)c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL125751,7.27
+Brc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL124864,7.62
+c1ccc2cc(OCCc3cnc[nH]3)ccc2c1,CHEMBL125022,7.05
+CCOC(=O)c1ccc(OCCc2cnc[nH]2)cc1,CHEMBL420892,8.22
+O=[N+]([O-])c1ccc(NCCc2cnc[nH]2)cc1,CHEMBL435383,7.64
+Clc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL124187,7.68
+CCc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL340298,7.1
+COc1ccc(OCCc2cnc[nH]2)cc1,CHEMBL125056,7.42
+O=[N+]([O-])c1ccc(SCCc2cnc[nH]2)cc1,CHEMBL125320,8.05
+CN(C)C(=N)SCCc1cnc[nH]1,CHEMBL553346,6.3
+C/N=C(\NC)SCCc1cnc[nH]1,CHEMBL539488,7.29
+c1ncc(CCSC2=NCCN2)[nH]1,CHEMBL542062,6.59
+O=[N+]([O-])c1ccc(NCCSCc2cnc[nH]2)nc1,CHEMBL112391,5.89
+c1ccc(NCCc2cnc[nH]2)nc1,CHEMBL324890,6.7
+S=C(NCCCCc1cnc[nH]1)NC1CCCCC1,CHEMBL71597,7.7
+FC(F)(F)c1ccc(NCCc2cnc[nH]2)nc1,CHEMBL116126,7.77
+S=C(NCCCc1cnc[nH]1)NC1CCCCC1,CHEMBL74293,7.89
+c1csc(NCCc2cnc[nH]2)n1,CHEMBL419206,6.47
+COC(=O)c1ccc(NCCc2cnc[nH]2)nc1,CHEMBL112349,7.38
+CNC(=S)NCCCCc1cnc[nH]1,CHEMBL12160,7.15
+c1ccc2sc(NCCc3cnc[nH]3)nc2c1,CHEMBL112390,6.48
+FC(F)(F)c1ccc(N2CCC(c3cnc[nH]3)CC2)nc1,CHEMBL115212,7.38
+Nc1ccc(NCCc2cnc[nH]2)nc1,CHEMBL330926,6.73
+O=[N+]([O-])c1cc[n+]([O-])c(NCCc2cnc[nH]2)c1,CHEMBL324605,7.28
+c1c[nH]c(SCCc2cnc[nH]2)n1,CHEMBL326940,6.4
+O=[N+]([O-])c1cccnc1NCCc1cnc[nH]1,CHEMBL326797,6.62
+c1cnc(NCCc2cnc[nH]2)cn1,CHEMBL323855,6.7
+c1ccc(SCCc2cnc[nH]2)nc1,CHEMBL112577,7.04
+O=[N+]([O-])c1ccc(NCCCc2cnc[nH]2)nc1,CHEMBL112503,6.77
+Clc1cc(NCCc2cnc[nH]2)ccn1,CHEMBL112013,6.8
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1,CHEMBL422893,8.705
+CCCS/C(=N/C1CCCCC1)NCc1ccc(Cl)cc1,CHEMBL47036,5.3
+c1ncc(CCCS/C(=N/C2CCCCC2)NC2CCCCC2)[nH]1,CHEMBL44842,7.9
+C/N=C(/NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL45028,8.5
+Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2cnc[nH]2)cc1,CHEMBL43934,9.3
+CC/N=C(\NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1,CHEMBL46458,8.1
+CSc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL166603,7.6
+CS(=O)c1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL168889,5.6
+Clc1ccc(CCc2noc(Cc3cnc[nH]3)n2)cc1,CHEMBL353915,6.6
+Fc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL169348,8.0
+Clc1ccc(Cc2nnc(CCc3cnc[nH]3)[nH]2)cc1,CHEMBL166802,6.7
+CS(=O)(=O)c1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL352869,6.5
+Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1Cl,CHEMBL168960,8.5
+COc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL424010,7.4
+Cn1nc(CCc2cnc[nH]2)nc1Cc1ccc(Cl)cc1,CHEMBL166761,6.9
+c1ccc(-c2ccc(Cc3noc(CCc4cnc[nH]4)n3)cc2)cc1,CHEMBL168973,7.2
+CS(=O)(=O)Nc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL165537,5.9
+Clc1ccc(CCc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL168196,7.7
+FC(F)(F)c1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL169426,8.1
+Clc1ccc(Cc2csc(CCc3cnc[nH]3)n2)cc1,CHEMBL169026,6.7
+Clc1ccc(Cc2noc(Cc3cnc[nH]3)n2)cc1,CHEMBL354348,7.6
+Ic1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1,CHEMBL169994,8.2
+Clc1ccc(Cc2nnc(CCCc3cnc[nH]3)[nH]2)cc1,CHEMBL423445,7.9
+Clc1ccc(Cc2nc(CCc3cnc[nH]3)no2)cc1,CHEMBL353939,7.7
+Clc1ccc(Cc2nnc(CCc3cnc[nH]3)s2)cc1,CHEMBL354711,7.0
+Clc1ccc(Cc2noc(CCCc3cnc[nH]3)n2)cc1,CHEMBL45056,7.6
+CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL105515,7.79
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1,CHEMBL105483,6.59
+N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1,CHEMBL106596,7.09
+N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL106483,7.6
+CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL102984,7.64
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1,CHEMBL105669,6.99
+CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1,CHEMBL104947,6.06
+N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1,CHEMBL421026,7.18
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,CHEMBL320178,7.55
+CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,CHEMBL323562,8.01
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1,CHEMBL446885,6.62
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1,CHEMBL105567,6.68
+CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL322873,7.58
+CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL106545,7.53
+N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1,CHEMBL105967,7.87
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1,CHEMBL317900,6.95
+N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1,CHEMBL105594,6.23
+N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1,CHEMBL102416,7.5
+C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL2112461,7.81
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1,CHEMBL101692,7.25
+CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1,CHEMBL106602,6.64
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,CHEMBL319000,7.87
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL105762,8.19
+CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1,CHEMBL419912,5.56
+N[C@H](/C=C/[C@@H]1C[C@H]1c1cnc[nH]1)CC1CCCCC1,CHEMBL278276,9.4
+N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@H]1c1cnc[nH]1,CHEMBL18554,7.7
+N[C@H](/C=C\[C@@H]1C[C@H]1c1cnc[nH]1)CC1CCCCC1,CHEMBL19469,7.0
+O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1,CHEMBL60435,8.33
+N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL305371,7.52
+O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1,CHEMBL305144,8.88
+O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1,CHEMBL64896,7.89
+N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL59733,8.24
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL59870,7.84
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1,CHEMBL62421,8.72
+N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL303737,6.79
+NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL61120,9.3
+N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL63003,6.67
+CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C,CHEMBL294087,7.12
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60143,8.4
+CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62716,7.28
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL63125,8.91
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL60837,8.62
+CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60401,8.64
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1,CHEMBL62660,8.15
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1,CHEMBL291847,6.77
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1,CHEMBL303369,7.77
+N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64059,8.34
+N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL61792,8.34
+N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL63002,6.54
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1,CHEMBL62592,7.1
+CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL418666,8.6
+C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64608,8.19
+O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1,CHEMBL64461,7.52
+N[C@@H](C(=O)O)C1Cc2ccccc2C1,CHEMBL434785,7.58
+CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL291821,8.4
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL62903,7.63
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1,CHEMBL62808,7.99
+C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62804,7.69
+CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62050,7.36
+O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1,CHEMBL423666,7.37
+N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL417215,7.53
+C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL61288,8.05
+N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60189,6.88
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1,CHEMBL64321,8.04
+CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL59931,7.92
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1,CHEMBL62741,7.21
+C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64406,8.68
+CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL302829,8.755
+N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64124,7.54
+CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL293033,8.07
+C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL302196,8.675
+N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1,CHEMBL302468,7.56
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1,CHEMBL60598,7.83
+CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL304888,8.06
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1,CHEMBL312958,7.01
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL63112,6.95
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1,CHEMBL62266,7.27
+N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL60559,7.64
+O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1,CHEMBL62596,8.36
+CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL64120,6.92
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL283313,8.69
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4C)cc3)cc2)CC1,CHEMBL433031,8.55
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282062,7.37
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL25290,6.66
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)C1,CHEMBL2113223,7.73
+CC(C)NC(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL25519,8.55
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)cc2)cc1,CHEMBL281640,8.04
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3CCCC3C)cc2)cc1,CHEMBL24921,7.37
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,CHEMBL27501,8.29
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)NC(C)C)cc2)cc1,CHEMBL24468,7.79
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1,CHEMBL25685,8.08
+C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL27933,8.38
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL25126,6.94
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)cc2)CC1,CHEMBL27115,7.68
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4[C@@H](C)CC[C@@H]4C)cc3)cc2)CC1,CHEMBL24863,8.53
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL28271,6.95
+CC(C)N(C)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282685,7.54
+O=C(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCCC1,CHEMBL26880,8.18
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@H](O)C4)cc3)cc2)CC1,CHEMBL24865,7.51
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCCC3C)cc2)cc1,CHEMBL279463,8.14
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@@H](N(C)C)C4)cc3)cc2)CC1,CHEMBL2113224,7.53
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL24352,7.01
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1,CHEMBL27444,7.99
+CC(C)NC(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,CHEMBL27343,6.87
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL282903,7.86
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCNC(C)C)cc2)cc1,CHEMBL284320,6.39
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL27697,8.05
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL25501,7.59
+CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1,CHEMBL2113222,7.56
+CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,CHEMBL27665,7.89
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)NC(C)C)cc3)cc2)CC1,CHEMBL25342,8.42
+CC(C)NCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL24126,6.89
+O=C(c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1)N1CCOCC1,CHEMBL24198,7.49
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1,CHEMBL282016,7.24
+O=C(c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1)N1CCCC1,CHEMBL27339,7.48
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL27835,7.67
+CC1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1,CHEMBL280590,8.99
+C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL436340,7.76
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3)cc2)CC1,CHEMBL25205,8.44
+CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1,CHEMBL280895,7.55
+O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)N1CCCC1,CHEMBL281287,6.75
+O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)N1CCOCC1,CHEMBL24847,7.28
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCNC(C)C)cc3)cc2)CC1,CHEMBL283451,6.32
+CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1,CHEMBL27209,8.06
+CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)CC1,CHEMBL27545,7.15
+COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C,CHEMBL301039,9.5
+COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2C,CHEMBL135410,9.4
+COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C,CHEMBL135409,8.8
+C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,CHEMBL159476,7.35
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1,CHEMBL61231,8.14
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1,CHEMBL64799,7.16
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1,CHEMBL65518,8.23
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1,CHEMBL64100,8.5
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1,CHEMBL64021,6.54
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1,CHEMBL63631,7.9
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1,CHEMBL64479,8.19
+CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1,CHEMBL64334,7.87
+CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1,CHEMBL60360,7.78
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,CHEMBL440864,7.17
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL294519,7.44
+CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1,CHEMBL64253,7.8
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1,CHEMBL294502,8.5
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1,CHEMBL62066,8.27
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL431172,7.67
+CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL304714,8.44
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1,CHEMBL291882,7.53
+CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1,CHEMBL63632,7.43
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1,CHEMBL61070,7.6
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,CHEMBL64247,7.88
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1,CHEMBL60620,7.67
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1,CHEMBL60383,7.8
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1,CHEMBL64408,8.52
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1,CHEMBL291394,8.2
+C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL264761,7.26
+CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1,CHEMBL59798,8.03
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1,CHEMBL64775,8.0
+CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1,CHEMBL432144,7.56
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1,CHEMBL60509,7.35
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1,CHEMBL292275,8.14
+CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1,CHEMBL302445,7.57
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1,CHEMBL64667,8.13
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1,CHEMBL62312,7.98
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1,CHEMBL64773,8.02
+CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1,CHEMBL62840,8.3
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1,CHEMBL418691,7.4
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1,CHEMBL64317,7.69
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1,CHEMBL61396,8.07
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1,CHEMBL305313,7.41
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1,CHEMBL63036,7.28
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1,CHEMBL302886,8.67
+CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL62949,8.1
+CCCCCC(=O)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL64658,7.2
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1,CHEMBL305338,8.0
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1,CHEMBL64235,7.96
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1,CHEMBL304027,7.6
+CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,CHEMBL449040,8.43
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL62948,8.33
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1,CHEMBL62726,7.79
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1,CHEMBL62115,7.74
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1,CHEMBL444307,8.2
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1,CHEMBL64884,8.39
+CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1,CHEMBL2113738,7.23
+CCCCCC(=O)c1ccc(OCCCC2CCNCC2)cc1,CHEMBL64635,4.23
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1,CHEMBL294349,7.24
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1,CHEMBL418658,7.69
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1,CHEMBL62527,8.35
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnc[nH]3)CC2)cc1,CHEMBL59715,8.35
+CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1,CHEMBL64259,8.3
+CN(C)c1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL87200,7.53
+O=S(=O)(Oc1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1)c1ccccc1,CHEMBL88048,8.53
+NC(=O)c1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL421350,7.55
+O=[N+]([O-])c1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL88051,7.28
+CCCOc1cccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)c1,CHEMBL88066,8.03
+NC(=O)c1cccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)c1,CHEMBL313987,7.79
+c1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL83287,7.85
+CCCc1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL87817,7.4
+O=[N+]([O-])c1cccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)c1,CHEMBL87911,7.51
+Brc1cccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)c1,CHEMBL86458,7.85
+Clc1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL314614,7.45
+CCCCOc1ccc(-c2c[nH]c(SCCc3cnc[nH]3)n2)cc1,CHEMBL85635,7.71
+CN(C)CCCCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL291830,7.41
+CN(C)CCC#Cc1c2c(nc3ccccc13)CCCCC2,CHEMBL66880,6.16
+CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@@H]21,CHEMBL305248,7.29
+CN1CCN(CCCNc2c3c(nc4ccccc24)CCCCC3)CC1,CHEMBL67495,7.01
+C(=C\c1c2c(nc3ccccc13)CCCCC2)\CCN1CCCCC1,CHEMBL66437,6.56
+C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCC1,CHEMBL65311,6.19
+CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL303824,7.74
+C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1,CHEMBL66660,6.39
+CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL65849,7.66
+C(#Cc1c2c(nc3ccccc13)CCCCCC2)CCN1CCCCC1,CHEMBL69752,6.19
+c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3,CHEMBL66388,8.6
+N[C@H]1[C@@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@H]12,CHEMBL68547,7.13
+c1ccc2c(NCCCN3CCOCC3)c3c(nc2c1)CCCCC3,CHEMBL67496,6.4
+CN(C)CCCNc1c2c(nc3c1CCCC3)CCCCC2,CHEMBL303676,6.45
+CN(C)CCCNc1c2c(nc3ccccc13)CCSC2,CHEMBL419993,7.23
+CN(C)CCNc1c2c(nc3ccccc13)CCCCC2,CHEMBL66336,6.83
+OC[C@@H]1CCN(CCC#Cc2c3c(nc4ccccc24)CCCCC3)C1,CHEMBL304737,6.21
+c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1,CHEMBL129542,9.097
+N[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1,CHEMBL18696,7.0
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2o1,CHEMBL178191,8.34
+Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1F,CHEMBL178192,8.24
+C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,CHEMBL179702,8.78
+C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,CHEMBL180368,8.59
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1,CHEMBL426603,8.71
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(F)c3)ccc2o1,CHEMBL179539,9.24
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,CHEMBL555146,9.0
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(Cl)cc3)ccc2o1,CHEMBL362607,9.11
+Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1Cl,CHEMBL179372,8.98
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(Cl)c3)ccc2o1,CHEMBL179263,9.19
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2o1,CHEMBL178682,9.27
+C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3)ccc2o1,CHEMBL362662,9.28
+CC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL178853,9.39
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(C)(C)O)c3)ccc2o1,CHEMBL360885,8.69
+CC(O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL179015,8.85
+CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1,CHEMBL179472,9.0
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1,CHEMBL369502,9.14
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(CO)cc3)ccc2o1,CHEMBL180125,8.48
+C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C#N)c3)ccc2o1,CHEMBL361801,9.04
+C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1,CHEMBL178950,8.87
+C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,CHEMBL361355,9.167
+Cc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1,CHEMBL368699,8.76
+COc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1,CHEMBL178410,8.57
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccccc3[N+](=O)[O-])ccc2o1,CHEMBL194620,9.06
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2o1,CHEMBL198325,8.67
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C(=O)C(F)(F)F)cc3)ccc2o1,CHEMBL380557,8.63
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cccc(C#N)c3)ccc2o1,CHEMBL194418,8.93
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(Cl)nn3)ccc2o1,CHEMBL362952,8.8
+C[C@@H]1CCCN1CCc1cc2cc(CNc3nccnc3C#N)ccc2o1,CHEMBL193607,8.4
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1,CHEMBL371210,9.1
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(Br)cn3)ccc2o1,CHEMBL363645,8.4
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1,CHEMBL197608,8.6
+CCc1cnc(NCc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1,CHEMBL445144,9.24
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1,CHEMBL372546,8.49
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])s3)ccc2o1,CHEMBL424842,9.17
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3[N+](=O)[O-])ccc2o1,CHEMBL199187,8.57
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1,CHEMBL196480,8.54
+C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(C#N)nc(C#N)c3)ccc2o1,CHEMBL194506,9.4
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1,CHEMBL366183,8.72
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1,CHEMBL198625,8.85
+C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2o1,CHEMBL196629,8.92
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+](=O)[O-])ccc2o1,CHEMBL371258,9.06
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(C#N)cc3)ccc2o1,CHEMBL196868,8.87
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cccc(C#N)c3)ccc2o1,CHEMBL194857,8.83
+CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1,CHEMBL364222,8.6
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1,CHEMBL198703,8.7
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1,CHEMBL199245,9.57
+C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1,CHEMBL196467,9.42
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2o1,CHEMBL197747,9.96
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+](=O)[O-])ccc2o1,CHEMBL196294,9.46
+Cc1ccc(C#N)c(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)n1,CHEMBL425023,7.75
+C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(C(F)(F)F)cn3)ccc2o1,CHEMBL197890,8.56
+CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br,CHEMBL380697,6.6
+CN(C)CCCOc1ccc(CN2CCCCC2)cc1,CHEMBL381717,7.35
+Brc1cc(CN2CCCCC2)cc(Br)c1OCCCN1CCCCC1,CHEMBL201861,7.24
+CN(C)CCCOc1ccc(CN(C)C)cc1,CHEMBL203670,6.59
+CN(C)CCCOc1c(Br)cc(CN(C)C)cc1Br,CHEMBL204113,6.5
+CN(C)CCc1ccc(OCCCN2CCCCC2)cc1,CHEMBL204872,8.3
+CN(C)CCc1ccc(OCCN2CCCCC2)cc1,CHEMBL382429,7.3
+CN(C)CCOc1ccc(CCN(C)C)cc1,CHEMBL203901,6.46
+CN(C)CCCOc1ccc(CCN(C)C)cc1,CHEMBL204377,7.05
+CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL210291,7.31
+CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL209120,7.42
+CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL209664,8.8
+c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCCC1)CC2,CHEMBL212730,9.01
+CCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1,CHEMBL207078,8.96
+CS(=O)(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL207062,7.15
+CC(C)NC(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL209099,7.49
+CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL210051,8.89
+c1ccc(CN2CCCc3cc(OCCCN4CCCCC4)ccc3C2)cc1,CHEMBL208611,9.1
+CCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1,CHEMBL208610,9.25
+CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL211290,7.44
+CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208830,7.13
+CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208829,7.4
+CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL208650,9.05
+c1cc2c(cc1OCCCN1CCCCC1)CN(CC1CCCCC1)CC2,CHEMBL210908,9.34
+CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1,CHEMBL378072,9.19
+CN(C)Cc1ccc(-c2ccc(CN(C)C)cc2)cc1,CHEMBL209478,8.105
+CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1,CHEMBL379545,5.48
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1,CHEMBL380101,8.92
+CC1CCN(Cc2ccc(-c3ccc(CN4CCC(C)CC4)cc3)cc2)CC1,CHEMBL214269,7.82
+CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1,CHEMBL212869,6.17
+c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCOCC1,CHEMBL213085,7.09
+CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(C)=O)CC4)cc3)cc2)CC1,CHEMBL214390,5.41
+c1cc(-c2ccc(CNC3CCCCC3)cc2)ccc1CNC1CCCCC1,CHEMBL447846,5.68
+CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1,CHEMBL212775,6.67
+O=C1CCCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL211370,6.94
+CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1,CHEMBL211439,7.33
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CNC1CCCCC1,CHEMBL211486,8.04
+c1cc(-c2ccc(CCN3CCCCC3)cc2)ccc1CCN1CCCCC1,CHEMBL378178,8.4
+NCc1ccc(-c2ccc(CN)cc2)cc1,CHEMBL119918,5.06
+c1cc(CN2CCCCC2)ccc1CN1CCCCC1,CHEMBL434601,5.39
+CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12,CHEMBL425994,8.01
+Cc1nc2ncccc2cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL263101,8.642000000000001
+Cc1nn(C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL442242,8.722000000000001
+Cc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1,CHEMBL392573,9.032
+Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL237191,9.032
+CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1,CHEMBL237394,9.232
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,CHEMBL247953,8.71
+C[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248155,8.607000000000001
+CC[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246680,7.47
+N#Cc1ccc(-c2ccc3cc(CCC4CCNC4)ccc3c2)cc1,CHEMBL246679,7.18
+N#Cc1ccc(-c2ccc3cc(CCN4CCCC4)ccc3c2)cc1,CHEMBL247702,8.19
+CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL395190,8.91
+C[C@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL247505,8.46
+C[C@@H]1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL245292,6.85
+N#Cc1ccc(-c2ccc3cc(CCN4CC[C@@H](O)C4)ccc3c2)cc1,CHEMBL393899,7.51
+CN(C)[C@@H]1CCN(CCc2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)C1,CHEMBL393700,7.0
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4CF)ccc3c2)cc1,CHEMBL248361,8.01
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4CO)ccc3c2)cc1,CHEMBL392653,7.96
+N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@@H]4CO)ccc3c2)cc1,CHEMBL392443,7.37
+CC(C)CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248157,6.33
+CC(C)C1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL248156,6.63
+CNC(O)Cc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246940,6.34
+CCN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)C,CHEMBL395131,7.52
+CN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)(C)C,CHEMBL394898,7.555
+CCCN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL396820,7.59
+CCN(CC)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246317,7.9
+CN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL246316,7.34
+C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@@H]2C)C1=C(C#N)C#N,CHEMBL257812,9.32
+C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N,CHEMBL257811,9.11
+C[C@@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N,CHEMBL257607,8.96
+CC1CCCN1CCN1CCN(CCN2CCCC2C)C1=C(C#N)C#N,CHEMBL404288,9.17
+CC1CCCN1CCN1CCN(CCN2CCCCC2)C1=C(C#N)C#N,CHEMBL257606,9.16
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCCN1CCCCC1,CHEMBL257391,8.59
+N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL257179,8.07
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL254374,8.2
+N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CCCCC1,CHEMBL254983,7.26
+N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1Cc1cccc2ccccc12,CHEMBL403014,6.16
+CCN(CCCN(C)C)CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N,CHEMBL254985,7.12
+c1ccc(CCN2CCCC2)nc1,CHEMBL270595,6.49
+C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1,CHEMBL429914,8.41
+C[C@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1,CHEMBL269951,8.23
+c1ccc(COc2ccc(CCN3CCCC3)cc2)cc1,CHEMBL271661,7.4
+C[C@@H]1CCCN1CCc1ccc2ccccc2c1,CHEMBL441903,8.15
+C[C@H]1CCCN1CCc1ccc2ccccc2c1,CHEMBL402377,7.05
+Cc1oc(-c2ccccc2)nc1CCN1CCC[C@H]1C,CHEMBL402187,7.21
+Cc1oc(-c2ccccc2)nc1CCN1CCC[C@@H]1C,CHEMBL402415,6.36
+Cc1oc(-c2ccccc2)nc1CCN1CCCC1,CHEMBL271237,6.68
+COc1ccc2[nH]c(CCN3CCC[C@H]3C)cc2c1,CHEMBL402220,7.39
+C[C@H]1CCCN1CCc1cc2ccccc2[nH]1,CHEMBL272988,6.47
+COc1ccc(CCN2CCC[C@H]2C)cc1,CHEMBL271898,7.92
+COc1ccc(CCN2CCC[C@@H]2C)cc1,CHEMBL404532,7.2
+COc1ccc(CCN2CCCC2)cc1,CHEMBL272307,6.43
+COc1cccc(CCN2CCC[C@H]2C)c1,CHEMBL439429,6.8
+COc1cccc(CCN2CCC[C@@H]2C)c1,CHEMBL272306,6.77
+COc1ccccc1CCN1CCC[C@H]1C,CHEMBL404375,6.96
+COc1ccccc1CCN1CCC[C@@H]1C,CHEMBL404912,6.62
+COc1ccccc1CCN1CCCC1,CHEMBL257913,6.59
+Cc1ccc(CCN2CCC[C@H]2C)cc1,CHEMBL403052,7.43
+Cc1ccc(CCN2CCC[C@@H]2C)cc1,CHEMBL257911,6.48
+Cc1cccc(CCN2CCC[C@H]2C)c1,CHEMBL257915,7.52
+Cc1cccc(CCN2CCC[C@@H]2C)c1,CHEMBL257914,6.62
+Cc1cc(C)c(CCN2CCC[C@H]2C)c(C)c1,CHEMBL270630,7.46
+Cc1cc(C)c(CCN2CCC[C@@H]2C)c(C)c1,CHEMBL272141,7.14
+Cc1cc(C)c(CCN2CCCC2)c(C)c1,CHEMBL272140,6.64
+C[C@@H]1CCCN1CCc1ccccc1O,CHEMBL404834,6.62
+C[C@H]1CCCN1CCc1ccccc1O,CHEMBL408617,6.66
+Oc1ccccc1CCN1CCCC1,CHEMBL273002,6.47
+C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1,CHEMBL440996,6.55
+C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1,CHEMBL257235,6.59
+C[C@@H]1CCCN1CCc1ccc(N(C)C)cc1,CHEMBL402872,7.37
+C[C@H]1CCCN1CCc1ccc(N(C)C)cc1,CHEMBL271489,6.64
+C[C@@H]1CCCN1CCc1cccs1,CHEMBL402873,6.85
+C[C@H]1CCCN1CCc1cccs1,CHEMBL271492,6.47
+C[C@@H]1CCCN1CCc1ccns1,CHEMBL255141,7.09
+C[C@H]1CCCN1CCc1ccns1,CHEMBL406698,6.8
+CCc1ccc(CCN2CCC[C@H]2C)nc1,CHEMBL408259,6.82
+CCc1ccc(CCN2CCCC2)nc1,CHEMBL271300,6.8
+C[C@@H]1CCCN1CCc1ccncc1,CHEMBL271722,6.49
+c1cc(CCN2CCCC2)ccn1,CHEMBL405070,6.49
+C[C@@H]1CCCN1CCc1cccnc1,CHEMBL271226,6.49
+CN(C)CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1,CHEMBL273202,8.64
+CC(C)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL255840,9.535
+C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(C3CCCC3)C[C@@H]2C1,CHEMBL401954,10.105
+C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1,CHEMBL409899,9.12
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3cncnc3)CC2C1,CHEMBL258302,8.16
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ncccn3)CC2C1,CHEMBL255847,7.445
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ccccn3)CC2C1,CHEMBL429418,8.665
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ccccc3)CC2C1,CHEMBL270439,7.17
+CC(C)N1CC2CC=C(c3ccc(CCN4CCCC4)cc3)C2C1,CHEMBL270440,9.035
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(CC3CC3)CC2C1,CHEMBL402640,9.975
+C1=C(c2ccc(CCN3Cc4ccccc4C3)cc2)C2CN(Cc3ccccc3)CC2C1,CHEMBL437404,6.59
+O=C1CCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1,CHEMBL270241,6.695
+FC1(F)CCN(CCc2ccc(C3=CCC4CN(Cc5ccccc5)CC34)cc2)C1,CHEMBL402296,8.555
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(Cc3ccccc3)CC2C1,CHEMBL255752,9.515
+CN1CCN(CCc2ccc(C3=CCC4CN(Cc5ccccc5)CC34)cc2)CC1,CHEMBL404753,7.235
+C1=C(c2ccc(CCN3CCOCC3)cc2)C2CN(Cc3ccccc3)CC2C1,CHEMBL255166,8.77
+C1=C(c2ccc(CCN3CCCCC3)cc2)C2CN(Cc3ccccc3)CC2C1,CHEMBL256225,9.415
+C1=C(c2ccc(CCN3CCC3)cc2)C2CN(Cc3ccccc3)CC2C1,CHEMBL256648,8.62
+C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(CC3CC3)C[C@@H]2C1,CHEMBL408934,10.16
+C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1,CHEMBL270011,10.325
+C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(C3CCCC3)CC2C1,CHEMBL410623,9.39
+OC[C@@H]1CCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1,CHEMBL402297,9.8
+OC[C@H]1CCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1,CHEMBL255961,9.29
+CC1CCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1,CHEMBL255962,10.265
+Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,CHEMBL476323,7.48
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]23)cc1,CHEMBL471555,9.14
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1,CHEMBL472131,9.525
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)c4cccnc4)C[C@@H]23)cc1,CHEMBL472132,8.985
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)c4ccccc4)C[C@@H]23)cc1,CHEMBL529892,8.545
+C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)C4CCCC4)C[C@@H]23)cc1,CHEMBL488464,9.43
+CC(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCC[C@H]4C)cc3)[C@@H]2C1,CHEMBL488463,9.41
+O=C(CO)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL487265,8.21
+O=C(C1CCOC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL511657,8.41
+O=C(C1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL520719,8.505
+CC(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL487264,8.28
+O=C(Cc1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL470480,8.15
+O=C(c1cccnc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL470286,8.215
+O=C(c1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL512707,7.675
+O=S(=O)(c1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL511973,7.77
+O=S(=O)(Cc1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL511276,7.925
+CC(C)S(=O)(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL472505,7.92
+CS(=O)(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL469690,7.565
+O=C(N1CCOCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL512484,7.915
+CN(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL469689,7.89
+O=C(NC1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL470898,7.79
+CC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1,CHEMBL511296,7.695
+Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240,7.87
+CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,CHEMBL129198,5.86
+CC(C)N1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,CHEMBL522234,7.04
+c1cc(OCC2CN(C3CCC3)CCO2)ccc1CN1CCOCC1,CHEMBL496554,7.12
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL448825,7.7
+CC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1,CHEMBL525376,6.25
+c1cc(CN2CCOCC2)cc(OCC2CN(C3CCC3)CCO2)c1,CHEMBL495744,6.56
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCC1,CHEMBL496167,8.01
+c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCCC1,CHEMBL496366,8.0
+c1cc(OC[C@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL524088,6.92
+c1cc(OC[C@@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1,CHEMBL497192,8.01
+NCCC(=O)NCCc1cnc[nH]1,CHEMBL461024,6.53
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL488891,8.1
+CN1C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]3C1=O,CHEMBL519889,6.0
+CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C,CHEMBL451821,8.59
+CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)C(=O)[C@H]2CC[C@@H]34)C1,CHEMBL488209,7.61
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL502704,8.64
+CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL510825,8.17
+CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL510387,8.54
+CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL454109,9.31
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL454108,6.86
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL453878,7.21
+CCS(=O)(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL508478,6.85
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455401,6.62
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455400,6.53
+COC(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL509205,6.59
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL454664,7.62
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)Cc6cccs6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL507565,7.95
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL454425,6.81
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL510426,6.71
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455645,7.42
+C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)C6CC6)CC[C@]5(C)[C@H]4CC[C@]23CN1C,CHEMBL455644,6.42
+CC(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1,CHEMBL488210,6.59
+O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1,CHEMBL289855,7.41
+O=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1,CHEMBL522555,7.04
+O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1,CHEMBL496008,8.7
+CC(C)(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL495611,8.4
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL495612,8.15
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCCCC4)cc3c2)CC1,CHEMBL522715,7.28
+COC1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3[nH]2)CC1,CHEMBL522236,7.43
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1,CHEMBL496616,7.85
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC(F)(F)C4)cc3c2)CC1,CHEMBL496617,8.52
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1,CHEMBL496816,8.52
+CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1,CHEMBL497025,8.15
+CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)[nH]c3c2)CC1,CHEMBL522243,7.02
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCOCC2)n3CC(F)(F)F)CC1,CHEMBL497030,9.0
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC(F)(F)F)CC1,CHEMBL524077,9.0
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)C)CC1,CHEMBL497031,8.3
+CC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21,CHEMBL496080,8.3
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(C)(=O)=O)CC1,CHEMBL495639,8.4
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL503070,8.4
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC#N)CC1,CHEMBL521710,8.7
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2ccc(Cl)c(Cl)c2)CC1,CHEMBL523948,9.52
+CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC(F)(F)F)CC1,CHEMBL489855,8.3
+O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL483672,9.7
+O=C(c1cc2cc(OC3CCN(C4COC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL520148,7.89
+O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1,CHEMBL482844,9.4
+CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CHEMBL496209,7.55
+CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1,CHEMBL503643,8.15
+O=C(c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2CC(F)(F)F)N1CCN(C2CCC2)CC1,CHEMBL522739,8.3
+CNCCc1ccccn1,CHEMBL24441,5.69
+CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br,CHEMBL493091,5.98
+CCN(CC)Cc1ccc(-c2ccc(CN(CC)CC)cc2)cc1,CHEMBL500825,8.62
+CCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1,CHEMBL458718,8.5
+CN(Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C1CCCCC1,CHEMBL511687,8.13
+CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)C1,CHEMBL457004,8.62
+c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1,CHEMBL511850,7.81
+N#Cc1ccc(OCc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)cc1,CHEMBL457005,7.15
+CN(C)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457006,8.88
+CCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457007,8.59
+CCCN(CCC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL457862,8.5
+CC1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1,CHEMBL458082,8.24
+CN(Cc1ccccc1)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL447953,7.85
+CN(C)CCc1ccc(-c2ccc(CCN(C)C)cc2)cc1,CHEMBL457868,7.71
+CC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1,CHEMBL459542,7.26
+c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1,CHEMBL459756,8.08
+CCCN(CCC)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2)cc1,CHEMBL512197,6.75
+CCCN(CCC)C(=O)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL458507,7.27
+CCCN(CCC)Cc1ccc(-c2ccc(CCN3CCCCC3)cc2)cc1,CHEMBL458722,7.97
+C(CCCCN1CCCCC1)CCCCN1CCCCC1,CHEMBL458723,7.8
+Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL483400,8.22
+Cc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12,CHEMBL484946,8.74
+Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL485543,8.64
+CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1,CHEMBL494678,6.61
+N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1,CHEMBL494890,6.92
+Clc1ccc(CCCOCCCN2CCCCC2)cc1,CHEMBL462605,7.77
+CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]24CN(C)C[C@H]2CC[C@@H]34)c1,CHEMBL565206,6.38
+CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]24CN(C)C[C@H]2CC[C@H]34)c1,CHEMBL561028,6.84
+CN1C[C@H]2CC[C@@H]3c4ccc(-c5ccc(C#N)cc5)cc4CC[C@]23C1,CHEMBL563392,7.34
+CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL563998,8.34
+CCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL554495,7.45
+CC(C)N1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL559446,6.07
+N#Cc1ccc(-c2ccc(N3CC[C@@H]4CN(CC5CC5)C[C@@H]43)cc2)cc1,CHEMBL563409,6.4
+CCCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL559447,6.27
+CN1CC[C@@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21,CHEMBL560357,6.05
+CN1C[C@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1,CHEMBL552506,7.22
+CN1C[C@@H]2CN(c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21,CHEMBL561420,6.7
+CN1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1,CHEMBL560358,6.17
+CN1C[C@H]2CCN(c3ccc(-c4ccccc4)cc3)[C@H]2C1,CHEMBL551289,6.84
+CN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1,CHEMBL571448,6.86
+CN1C[C@H]2CCN(c3ccc(Oc4ccccc4)cc3)[C@H]2C1,CHEMBL550017,7.03
+CC(=O)c1ccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)cc1,CHEMBL551355,7.66
+CC(=O)c1cccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)c1,CHEMBL558084,7.4
+CN1C[C@H]2CCN(c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1,CHEMBL563976,7.53
+CN1C[C@H]2CCN(c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1,CHEMBL538429,6.95
+CN1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1,CHEMBL558085,6.78
+COc1ccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)cc1,CHEMBL564405,7.61
+CN1C[C@H]2CCN(c3ccc4cc(-c5ccc(C#N)cc5)ccc4c3)[C@H]2C1,CHEMBL549470,7.19
+CN1C[C@H]2CCN(c3ccc4cc(-c5ccc(F)cc5)ccc4c3)[C@H]2C1,CHEMBL560958,6.34
+Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc2c1=O,CHEMBL488248,7.92
+COc1cccc2c1O[C@@H](c1ccc(OCCCN3CCCC3)cc1)[C@H](C)S2(=O)=O,CHEMBL560386,8.55
+CCN(CC)S(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1,CHEMBL564844,7.79
+C[C@@H]1CCCN1CCc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,CHEMBL550326,7.9
+CCNS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1,CHEMBL571676,7.96
+CC(C)NS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1,CHEMBL563696,8.1
+CC1COCC(C)N1S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL561279,8.15
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)CO)cc2)cc1,CHEMBL563191,8.16
+COC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL559321,8.29
+CCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL569832,8.43
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL558923,8.34
+CC(C)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL550198,8.37
+COCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL550405,8.5
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1,CHEMBL558260,8.6
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H](O)C3)cc2)cc1,CHEMBL560340,8.61
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1,CHEMBL563118,8.64
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,CHEMBL552279,8.73
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCOCC3)cc2)cc1,CHEMBL559118,8.725
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CHEMBL562629,8.79
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CHEMBL564380,8.75
+CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL560799,8.85
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2)cc1,CHEMBL560140,9.03
+COC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1,CHEMBL554506,9.19
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C3)cc2)cc1,CHEMBL564803,9.3
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1,CHEMBL558456,9.53
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccncc3)cc2)cc1,CHEMBL558655,9.74
+C(#Cc1cccc(CN2CCOCC2)c1)CCN1CCCCC1,CHEMBL237087,8.15
+O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1,CHEMBL589908,7.66
+Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1,CHEMBL492231,6.18
+Nc1nc(N2CC[C@@H](N)C2)c2c(n1)C1(CCCC1)CCC2,CHEMBL1081680,7.1
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1,CHEMBL1089040,6.98
+CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1089390,7.14
+CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1,CHEMBL1079516,8.17
+CCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076266,7.7
+CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080089,7.72
+CC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080090,7.64
+CCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080262,7.6
+CCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1080263,7.92
+CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1076267,7.74
+CCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079552,8.06
+CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079553,7.72
+CCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079554,7.92
+CCCC(C)CNC(=O)OCCCc1cnc[nH]1,CHEMBL1081541,7.82
+CCC(C)CCNC(=O)OCCCc1cnc[nH]1,CHEMBL1081718,8.29
+CCCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076275,7.74
+CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079918,7.64
+CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1076300,7.74
+CC(C)CCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079746,7.66
+CCCCCCC(C)NC(=O)OCCCc1cnc[nH]1,CHEMBL1079748,7.74
+CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1,CHEMBL1096827,7.57
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1,CHEMBL1085800,8.41
+C[C@@H]1CCCN1CCc1ccc2ncccc2c1,CHEMBL1086032,7.39
+Cc1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086033,7.19
+C[C@@H]1CCCN1CCc1ccc2nc(C3CC3)ccc2c1,CHEMBL1086034,7.33
+C[C@@H]1CCCN1CCc1ccc2nc(C(C)(C)C)ccc2c1,CHEMBL1085325,7.29
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nccs3)ccc2c1,CHEMBL1086521,8.8
+C[C@@H]1CCCN1CCc1ccc2nc(C3=NCCS3)ccc2c1,CHEMBL1085591,7.77
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1084559,8.85
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ccc2c1,CHEMBL1084560,9.3
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1,CHEMBL1083406,8.72
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1,CHEMBL1083407,9.32
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082781,9.35
+Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1,CHEMBL1082447,8.66
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C#N,CHEMBL1085560,8.7
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O,CHEMBL1085782,8.26
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(C(F)(F)F)[nH]ccc3=O)ccc2c1,CHEMBL1085783,6.0
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnccn3)ccc2c1,CHEMBL1085964,9.29
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1,CHEMBL1084294,7.26
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccccc4)n3)ccc2c1,CHEMBL1084878,7.51
+C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)ccc2c1,CHEMBL1084879,7.24
+Cc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1,CHEMBL1085124,7.15
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1,CHEMBL1083463,8.68
+Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1,CHEMBL1084877,8.23
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(N(C)C)nn1,CHEMBL1083462,8.96
+Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1,CHEMBL1083274,8.82
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1,CHEMBL1086520,8.26
+CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084584,8.27
+CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1,CHEMBL1084583,7.8
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cc[nH]n3)ccc2c1,CHEMBL1084581,7.85
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn[nH]c3)ccc2c1,CHEMBL1084582,8.23
+Cc1[nH]ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084314,8.82
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C,CHEMBL1084827,9.17
+Cc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084826,8.27
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1,CHEMBL1085326,7.7
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1,CHEMBL1085572,8.16
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1,CHEMBL1085829,8.44
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1,CHEMBL1085828,9.18
+COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1,CHEMBL1082489,9.0
+Cc1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nc(-c2ccccc2)n1,CHEMBL1082488,8.85
+CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1,CHEMBL1085337,10.1
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1,CHEMBL1085336,8.64
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1,CHEMBL1086514,9.52
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1,CHEMBL1086513,8.17
+Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086292,8.35
+Cc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085592,8.85
+Cc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1086561,8.54
+Cc1nc(-c2ccccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085866,8.64
+Cc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1082606,8.72
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nnn1-c1ccc(F)cc1F,CHEMBL1086098,9.46
+Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085641,7.44
+Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085396,9.4
+C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1,CHEMBL1085397,9.23
+Cc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085398,9.51
+C[C@@H]1CCCN1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1,CHEMBL1083562,8.07
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12,CHEMBL1085142,9.11
+Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12,CHEMBL1084383,9.6
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1,CHEMBL1084384,8.31
+Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1084385,9.3
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1,CHEMBL1083447,8.77
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4c(c3)COCO4)ccc2c1,CHEMBL1083448,8.64
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1,CHEMBL1086315,8.92
+CCOC(=N)c1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1,CHEMBL1086534,8.64
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccccn3)ccc2c1,CHEMBL1082496,8.14
+Cc1nc(-c2ccncc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,CHEMBL1085841,8.55
+Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1,CHEMBL1086072,7.96
+Cc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1,CHEMBL1086073,8.31
+C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1,CHEMBL1086074,8.59
+C[C@@H]1CCCN1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1,CHEMBL1084616,8.55
+O=C(c1ccc(Oc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1170953,7.62
+O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171886,7.64
+O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171002,7.82
+O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CC2)CC1,CHEMBL1171001,7.12
+O=C(c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171936,8.0
+O=C(c1ccc(Oc2ccccc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1170999,7.82
+N#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CCC4)CC3)cn2)c1,CHEMBL1171756,7.96
+O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1171754,7.64
+O=C(c1ccc(Oc2cccc(F)c2)nc1)N1CCCN(C2CCC2)CC1,CHEMBL1170790,7.68
+O=C(c1ccc(Sc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1,CHEMBL1171342,7.43
+CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)N(CC3CC3)C2=O)CC1,CHEMBL1257965,7.92
+CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1,CHEMBL1277410,7.32
+CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12,CHEMBL1277411,7.43
+CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277500,8.27
+CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277501,9.14
+CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277594,8.28
+CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL1277595,8.54
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1,CHEMBL1783893,8.0
+CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,CHEMBL1783889,8.3
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1829335,8.203
+C[C@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1813053,7.3
+O=c1ccc(-c2ccc(OCCCN3CCCC3)cc2)n[nH]1,CHEMBL1813054,7.35
+O=c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]1,CHEMBL1813055,7.43
+O=c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)n[nH]1,CHEMBL1813056,6.09
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1,CHEMBL1813057,8.205
+CCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O,CHEMBL1813058,7.96
+CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O,CHEMBL1813059,8.12
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1,CHEMBL1829470,8.1
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1,CHEMBL1813061,7.92
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1=O,CHEMBL1813062,6.97
+Cn1nc(-c2ccc(OCCCN3CCC[C@H]3CO)cc2)ccc1=O,CHEMBL1813063,7.32
+Cn1nc(-c2ccc(OCCCN3CCC[C@@H]3CO)cc2)ccc1=O,CHEMBL1813064,6.37
+C[C@@H]1CCCN1CCCOc1ccc(-c2cn[nH]c(=O)c2)cc1,CHEMBL1813065,8.003
+C[C@@H]1CCCN1CCCOc1ccc(-n2ncccc2=O)cc1,CHEMBL1813066,6.46
+Cn1nc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)ccc1=O,CHEMBL1823402,8.515
+Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823403,8.22
+Cn1nc(-c2ccc(N3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823405,6.59
+CC(C)N1CCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1823406,6.38
+Cn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O,CHEMBL1823408,6.73
+CC(C)N1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1823409,6.73
+Cn1nc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)ccc1=O,CHEMBL1823410,7.08
+O=C(c1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL1823411,7.04
+O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCC[C@H]1CN1CCCC1,CHEMBL1823412,7.34
+Cc1cc(=O)[nH]nc1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1829475,7.92
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1,CHEMBL1829337,7.96
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CC(F)(F)F)n2)cc1,CHEMBL1829468,7.96
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCO)n2)cc1,CHEMBL1829469,8.02
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ncccn3)n2)cc1,CHEMBL1829472,8.1
+Cc1cc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n[nH]c1=O,CHEMBL1829473,8.06
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(=O)[nH]n2)cc1,CHEMBL1829474,8.0
+C[C@@H]1CCCN1CCCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccn2)cc1,CHEMBL1829476,7.15
+C[C@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C,CHEMBL1829485,8.34
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1Cl,CHEMBL1829479,7.85
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1,CHEMBL1829471,7.66
+C[C@@H]1CCCN1CCCOc1c(F)cc(-c2ccc(=O)[nH]n2)cc1F,CHEMBL1829481,7.4
+C[C@@H]1CCCN1CCCOc1c(F)cc(-c2ccc(=O)n(C)n2)cc1F,CHEMBL1829480,7.39
+C[C@@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C,CHEMBL1829486,7.28
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1F,CHEMBL1829477,7.57
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cn1,CHEMBL1829484,7.15
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1C#N,CHEMBL1829483,6.95
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)c(F)c1,CHEMBL1829478,7.16
+COc1cc(OCCCN2CCC[C@H]2C)ccc1-c1ccc(=O)[nH]n1,CHEMBL1829482,6.64
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(c1=O)CCCC2,CHEMBL1835787,8.35
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1,CHEMBL1835786,8.92
+CN1N=C(c2ccc(OCCCN3CCCCC3)cc2)C2CCCC2C1=O,CHEMBL1835785,8.03
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)C3CCCC23)cc1,CHEMBL1835784,8.33
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(c1=O)CCC2,CHEMBL1835783,8.37
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCC3)cc1,CHEMBL1835782,8.7
+O=c1c2ccsc2c(-c2ccc(OCCCN3CCCCC3)cc2)nn1Cc1ccc(Cl)cc1,CHEMBL1835781,6.84
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccsc23)cc1,CHEMBL1835780,7.92
+CCCn1nc(-c2ccc(OCCCN3CCC(C)CC3)cc2)c2sccc2c1=O,CHEMBL1835779,7.24
+CCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O,CHEMBL1835778,7.92
+CC(C)n1nc(-c2ccc(OCCCN3CCCC3)cc2)c2sccc2c1=O,CHEMBL1835777,8.15
+CCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1,CHEMBL1835776,6.78
+COC[C@@H]1CCCN1CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1,CHEMBL1835774,5.93
+CC(C)n1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2sccc2c1=O,CHEMBL1835773,7.72
+CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O,CHEMBL1835772,8.08
+O=c1c2ccccc2c(-c2ccc(OCCCN3CCCCC3)cc2)nn1Cc1ccc(Cl)cc1,CHEMBL1835771,7.64
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1,CHEMBL1835770,7.92
+Cn1nc(-c2ccc(OCCCN3CCCCCC3)cc2)c2ccccc2c1=O,CHEMBL1835708,8.74
+Cn1nc(-c2ccc(OCCCN3CCCC3)cc2)c2ccccc2c1=O,CHEMBL1835707,8.44
+Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O,CHEMBL1835706,8.05
+C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CHEMBL1835704,8.42
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(C)n2)cc1,CHEMBL1917464,7.24
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)[nH]n2)cc1,CHEMBL1917465,7.37
+Cn1nc(-c2ccc(CCN3CCCC3)cc2)ccc1=O,CHEMBL1917466,6.87
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1,CHEMBL1917467,7.38
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1,CHEMBL1917468,7.32
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(Cl)cc3)n2)cc1,CHEMBL1917639,7.59
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1,CHEMBL1917640,7.74
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1,CHEMBL1917641,6.62
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]c2)cc1,CHEMBL1923728,8.05
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1,CHEMBL1923729,8.07
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccn(C)c(=O)c2)cc1,CHEMBL1923730,7.92
+C[C@@H]1CCCN1CCCOc1ccc(-c2cccc(=O)n2C)cc1,CHEMBL1923731,7.68
+C[C@@H]1CCCN1CCCOc1ccc(-c2cccn(C)c2=O)cc1,CHEMBL1923732,6.84
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)c2)cc1,CHEMBL1923733,7.72
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)c2)cc1,CHEMBL1923734,8.02
+C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1,CHEMBL1923735,8.0
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(C#N)c(=O)n(C)c2)cc1,CHEMBL1923736,8.52
+C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2)cc1,CHEMBL1923737,8.1
+C[C@@H]1CCCN1CCCOc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1,CHEMBL1923738,8.62
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL1934354,8.89
+CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934355,9.05
+CCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934356,9.22
+CC(C)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934357,8.58
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1,CHEMBL1934358,9.22
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1,CHEMBL1934519,9.0
+COCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934520,8.85
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CCO)cc2)cc1,CHEMBL1934521,8.92
+CCOCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934522,9.0
+COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934523,9.15
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CCCO)cc2)cc1,CHEMBL1934524,9.1
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CC3CCOCC3)cc2)cc1,CHEMBL1934525,9.77
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)cc1,CHEMBL1934526,8.96
+C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CC3CCCCO3)cc2)cc1,CHEMBL1934527,9.7
+COCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,CHEMBL1934528,8.61
+COCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1,CHEMBL1934529,7.88
+CCCCC(c1ccc(-c2ccc(C)cc2)cc1)N1CCCCC1,CHEMBL1934067,4.36
+CCCCCc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934066,4.22
+COc1ccc(OCCC[C@@H](c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCC[C@@H]2C)cc1,CHEMBL1934065,8.68
+COc1ccc(OCCC[C@H](c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCC[C@@H]2C)cc1,CHEMBL1934064,8.18
+C[C@H]1CCCN1[C@@H](CCCOc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934063,8.33
+C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934062,8.18
+COCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934061,8.75
+COCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934060,8.83
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C,CHEMBL1934059,7.58
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C,CHEMBL1934058,7.58
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934057,8.85
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C,CHEMBL1934056,8.06
+CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C,CHEMBL1934055,7.9
+CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C,CHEMBL1934054,7.79
+CCCCC(c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCCC1,CHEMBL1934053,8.37
+C[C@@H]1CCCN1Cc1ccc(-c2ccc(C(Cc3ccccc3)N3CCCCC3)cc2)cc1,CHEMBL1934052,7.53
+CN(C)C(Cc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934051,7.52
+c1ccc(CC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCCCC2)cc1,CHEMBL1934050,6.95
+C[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934049,9.43
+C[C@@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL1934048,8.45
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2)cc1,CHEMBL1935100,8.06
+C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2)cc1,CHEMBL1935101,6.94
+O=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1,CHEMBL1935102,6.59
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1,CHEMBL1935103,7.8
+CC(C)N1N=C(c2ccc(OCCCN3CCC[C@H]3C)cc2)CCC1=O,CHEMBL1935104,7.2
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(CC(F)(F)F)C(=O)CC2)cc1,CHEMBL1935105,8.0
+O=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)=NN1CC(F)(F)F,CHEMBL1935106,7.21
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1,CHEMBL1935107,7.8
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1,CHEMBL1935108,7.6
+C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccn3)C(=O)CC2)cc1,CHEMBL1935109,7.38
+CC1CC(c2ccc(OCCCN3CCC[C@H]3C)cc2)=NNC1=O,CHEMBL1935110,8.4
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL1935111,7.66
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCCC2)cc1,CHEMBL1935112,7.07
+CC1CC(=O)NN=C1c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1935113,7.55
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(C)(C)C2)cc1,CHEMBL1935114,7.89
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2(C)C)cc1,CHEMBL1935115,7.23
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1,CHEMBL1935116,7.38
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2c2ccccn2)cc1,CHEMBL1935117,7.68
+Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,CHEMBL1935574,5.59
+OCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935407,6.43
+CC(O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935408,7.0
+CC[C@@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935409,7.07
+CC[C@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935410,6.95
+CC(C)(O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935411,7.13
+COCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935412,7.04
+CSCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935413,7.07
+CSCCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935414,7.19
+CS(=O)(=O)CCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935415,6.8
+CS(=O)(=O)CCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935416,7.39
+c1cc2c(cc1O[C@@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935417,6.92
+c1cc2c(cc1O[C@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935418,7.41
+c1cc2c(cc1OC1CCSC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935419,7.38
+c1cc2c(cc1OCC1CCOC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935420,7.31
+c1cc2c(cc1OCC1CCCO1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935421,7.3
+c1cc2c(cc1OC1CCOCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1933091,7.38
+c1cc2c(cc1OC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935422,7.21
+c1cc2c(cc1OCC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL1935423,7.32
+O=S1(=O)CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)C1,CHEMBL1935424,7.36
+O=S1(=O)CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL1935425,7.62
+O=S1(=O)CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL1935426,8.05
+C[C@@H]1CCCN1CCCOc1ccc(-c2cnn(-c3ccccn3)c(=O)c2)cc1,CHEMBL1945843,8.43
+O=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cn[nH]1,CHEMBL1945844,8.7
+Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945845,8.22
+CC1=NNC(=O)CC1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945846,7.89
+Cc1nn(C)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945847,8.1
+Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945848,8.05
+Cc1cccc(-n2nc(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)cc2=O)n1,CHEMBL1945849,8.0
+Cc1cccnc1-n1nc(C)c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cc1=O,CHEMBL1945850,7.77
+Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1945851,8.1
+O=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)cn[nH]1,CHEMBL1945852,7.7
+C[C@H]1CC(=O)NN=C1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950747,7.89
+C[C@@H]1CC(=O)NN=C1c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950746,8.02
+Cc1cc(=O)[nH]nc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1,CHEMBL1950734,8.2
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1,CHEMBL1950733,7.82
+CC(C)N1CCC(Oc2ccc(-c3ccc(=O)n(C)n3)cc2)CC1,CHEMBL1950646,7.34
+O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1,CHEMBL1950644,8.15
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)n[nH]1,CHEMBL1950643,8.66
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NNC1=O,CHEMBL1950745,8.14
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O,CHEMBL1950744,7.55
+CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O,CHEMBL1950743,8.36
+O=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1,CHEMBL1950742,8.17
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)nn1-c1ccccn1,CHEMBL1950741,7.09
+CC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O,CHEMBL1950740,8.03
+Cn1nc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccc1=O,CHEMBL1950739,7.92
+Cn1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O,CHEMBL1950738,8.07
+O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)n[nH]1,CHEMBL1950737,7.29
+O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)n[nH]1,CHEMBL1950736,7.72
+CC(C)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1,CHEMBL1950735,7.0
+O=C(CN1CCCCC1)c1ccc(OCCCN2CCCC2)cc1,CHEMBL1951052,6.76
+O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1,CHEMBL1951053,6.23
+O=C(CN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1951054,6.36
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951055,7.3
+C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951056,6.05
+CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1,CHEMBL1951060,6.98
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1,CHEMBL1951061,7.48
+C[C@H]1CN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)C[C@@H](C)O1,CHEMBL1951062,7.11
+Cc1cc(OCCCN2CCC[C@H]2C)ccc1C(=O)CN1CCOCC1,CHEMBL1951063,6.61
+CC1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1,CHEMBL1951064,7.25
+CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013047,7.4
+c1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2,CHEMBL2013048,8.22
+CS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013045,7.77
+CCS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013044,7.62
+CC(C)S(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013049,7.57
+O=S(=O)(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013050,7.74
+CC(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013051,8.0
+CC(C)C(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013052,8.22
+O=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,CHEMBL2013053,7.8
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(C)nc1-2,CHEMBL2031470,8.08
+CC(C)n1nc2c(cc1=O)CCc1cc(OCCCN3CCC[C@H]3C)ccc1-2,CHEMBL2031471,7.77
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(-c3ccccc3)nc1-2,CHEMBL2031472,7.64
+O=c1cc2c(nn1Cc1ccccc1)-c1ccc(OCCCN3CCCCC3)cc1CC2,CHEMBL2031473,6.85
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)[nH]nc1-2,CHEMBL2031474,7.85
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC1CC(=O)NN=C21,CHEMBL2031475,7.28
+C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1n[nH]c(=O)cc1-2,CHEMBL2031476,7.72
+O=C1CC2CCc3cc(OC4CCN(C5CCC5)CC4)ccc3C2=NN1,CHEMBL2031477,7.59
+O=C1c2ccc(-c3ccccc3)cc2CCN1CCN1CCCC1,CHEMBL2031742,6.84
+O=C1c2ccc(-c3ccccc3F)cc2CCN1CCN1CCCC1,CHEMBL2031743,6.76
+O=C1c2ccc(-c3cccc(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031744,6.79
+O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031745,7.07
+N#Cc1cccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c1,CHEMBL2031746,7.14
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,CHEMBL2031747,7.6
+O=C1c2ccc(-c3cccc(C(F)(F)F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031748,6.74
+O=C1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031749,7.0
+O=C1c2ccc(-c3cccc(OC(F)(F)F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031750,6.56
+O=C1c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCN1CCN1CCCC1,CHEMBL2031751,6.75
+O=C1c2ccc(-c3ccc(F)cc3F)cc2CCN1CCN1CCCC1,CHEMBL2031752,6.82
+O=C1c2ccc(-c3ccc(F)c(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031753,7.09
+O=C1c2ccc(-c3cc(F)cc(F)c3)cc2CCN1CCN1CCCC1,CHEMBL2031754,6.84
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCCN2CCCC2)C3=O)cc1,CHEMBL2031755,6.57
+N#Cc1ccc(-c2ccc3c(c2)CCN(CCCN2CCCCC2)C3=O)cc1,CHEMBL2031756,6.82
+O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCCCC1,CHEMBL2031758,7.33
+C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O,CHEMBL2031759,6.96
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O,CHEMBL2031760,7.64
+C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(C#N)cc3)ccc2C1=O,CHEMBL2031761,7.31
+C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C#N)cc3)ccc2C1=O,CHEMBL2031762,8.24
+O=C1c2ccc(-n3cnc4ccccc43)cc2CCN1CCN1CCCC1,CHEMBL2031741,6.76
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C#N)CC2)cc1,CHEMBL2036641,7.64
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C(F)(F)F)CC2)cc1,CHEMBL2036642,8.04
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)CC2)cc1,CHEMBL2036643,7.37
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCC(F)(F)C2)cc1,CHEMBL2036644,7.32
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)C2)cc1,CHEMBL2036645,7.68
+CC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036646,7.52
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)C(F)(F)F)CC2)cc1,CHEMBL2036647,7.77
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL2036634,7.59
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1,CHEMBL2036635,7.85
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL2036648,8.24
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1,CHEMBL2036649,8.05
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1,CHEMBL2036650,7.8
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cccn3C)CC2)cc1,CHEMBL2036651,8.03
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1,CHEMBL2036652,8.4
+COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036653,7.72
+CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036654,7.64
+CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1,CHEMBL2036655,7.92
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccccc3)CC2)cc1,CHEMBL2036656,8.16
+C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccc(F)cc3)CC2)cc1,CHEMBL2036657,8.43
+COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O,CHEMBL2037608,7.85
+COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c(OC)c1=O,CHEMBL2037609,7.89
+COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O,CHEMBL2037610,7.72
+COc1cn[nH]c(=O)c1-c1ccc(OCCCN2CCC[C@H]2C)cc1,CHEMBL2037611,7.21
+C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCC[C@H]1C,CHEMBL2037604,8.4
+C[C@@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCC[C@H]1C,CHEMBL2037605,7.37
+C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1,CHEMBL2037606,7.47
+C[C@@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1,CHEMBL2037607,6.88
+C[C@@H]1CCCN1CCc1cc2cc(-c3cn[nH]c3)ccc2o1,CHEMBL2151195,8.5
+CC(C)CNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1,CHEMBL2206292,7.912000000000001
+CCN(C)C(=O)[C@H]1C[C@@H](c2ccc(CN3CCCC3)c(F)c2)C1,CHEMBL2206291,7.455
+c1cnc(OC[C@H]2C[C@H](c3ccc(CN4CCCC4)cc3)C2)nc1,CHEMBL2206289,7.095
+c1cc([C@H]2C[C@@H](CN3CCOCC3)C2)ccc1CN1CCCC1,CHEMBL2206288,8.282
+O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,CHEMBL8,9.18
+O=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1,CHEMBL2297871,8.4
+CC1=C(c2ccc(OCCCN3CCOCC3)cc2)SC2=NCc3ccccc3CN21,CHEMBL2386730,9.49
+CC1=C(c2ccc(OCCCN3CCC[C@H]3C)cc2)SC2=NCc3ccccc3CN21,CHEMBL2386729,10.7
+CC1=C(c2ccc(OCCCN3CCCCC3)cc2)SC2=NCc3ccccc3CN21,CHEMBL2386728,10.3
+CC1=C(c2ccc(OCCCN3CCC[C@H]3CO)cc2)SC2=NCc3ccccc3CN21,CHEMBL2386727,10.49
+CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1,CHEMBL2387310,7.4
+O=C(Nc1ccc(OCCCN2CCCCC2)cc1)Nc1ccc(F)cc1F,CHEMBL2387309,7.48
+Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl,CHEMBL2387307,6.87
+Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2391167,7.78
+Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F,CHEMBL2391166,7.26
+Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403551,7.13
+Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403550,8.52
+Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403549,7.96
+Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C,CHEMBL2403548,7.03
+Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C,CHEMBL3087669,9.05
+O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092650,9.635
+CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL1783890,9.015
+O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1,CHEMBL3092825,9.1
+O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092824,8.6
+O=C1CCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092823,9.7
+CC1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092822,8.6
+O=C1C[C@@H](O)CN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092821,8.8
+CN1CCN(c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)C1=O,CHEMBL3092820,9.0
+O=C1OCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092651,9.1
+c1cc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)n[nH]1,CHEMBL3092649,8.6
+c1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1,CHEMBL3092648,8.5
+Cc1noc(C)c1-c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092835,8.6
+Cc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1,CHEMBL3092834,9.3
+CCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092832,8.4
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092831,8.4
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1,CHEMBL3092830,8.1
+CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1,CHEMBL3092829,8.3
+CC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,CHEMBL3092828,9.2
+CC(=O)Nc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092827,9.0
+CC(C)NC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092826,9.2
+CCN(C)C(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3091477,8.0
+O=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1,CHEMBL3092840,9.2
+NC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,CHEMBL3092839,8.7
+Cc1nc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)ccc1C#N,CHEMBL3092838,8.4
+O=C(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1,CHEMBL3092836,7.9
+CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121093,8.24
+O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC12,CHEMBL3121092,8.09
+CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)C4CC34)cc2)CC1,CHEMBL3121091,7.77
+CC(C)N1CCC(Oc2ccc(C3=NNC(=O)C4CC34)cc2)CC1,CHEMBL3121090,7.29
+CCN1CCC(Oc2ccc(C3=NNC(=O)C4CC34)cc2)CC1,CHEMBL3121101,6.64
+O=C1C2CC2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1,CHEMBL3121100,8.17
+CC(C)N1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121099,8.25
+CCN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121098,8.1
+CN1N=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC2C1=O,CHEMBL3121097,8.16
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@H]12,CHEMBL3121096,7.92
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@@H]12,CHEMBL3121095,8.14
+O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C2CC12,CHEMBL3121094,8.08
+CC(C)N1CCC(Oc2ccc(C3(C(N)=O)CCOCC3)cc2)CC1,CHEMBL3221637,6.94
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1,CHEMBL3417585,8.0
+Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12,CHEMBL3417584,6.86
+Cc1cc(OCCCN2CCC[C@@H]2C)ccc1C1=NNC(=O)C2CC12,CHEMBL3417583,6.99
+Cc1cc(OCCCN2CCC[C@H]2C)ccc1C1=NNC(=O)C2CC12,CHEMBL3417582,7.18
+O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)C2CC12,CHEMBL3417507,7.27
+C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1,CHEMBL3417506,7.24
+C[C@H](COc1ccc(C2=NNC(=O)C3CC23)cc1)CN1CCC[C@H]1C,CHEMBL3417505,8.01
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)cc1,CHEMBL3417504,7.89
+C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1,CHEMBL3417586,7.85
+Nc1nccc(N2CCC3(CC2)CNC3)n1,CHEMBL3694840,7.91
+Nc1nccc(NC2CNC2)n1,CHEMBL3694839,7.01
+Nc1nccc(N2CCCN(Cc3ccccc3)CCC2)n1,CHEMBL3694838,7.26
+CN(C)CCNc1ccnc(N)n1,CHEMBL3694843,7.7
+Nc1nccc(N2CCC(N)CC2)n1,CHEMBL3694837,7.23
+CN(CCCN)c1ccnc(N)n1,CHEMBL3694828,6.71
+CNCCCNc1ccnc(N)n1,CHEMBL3694827,7.09
+Nc1nccc(NC2CCNCC2)n1,CHEMBL3694841,6.98
+Nc1nccc(NC2CCC(N)CC2)n1,CHEMBL3694833,6.85
+Nc1nccc(NC2CCN(Cc3ccccc3)CC2)n1,CHEMBL3694846,7.61
+NCCCNc1ccnc(N)n1,CHEMBL3694826,7.88
+CCC(N)CCNc1ccnc(N)n1,CHEMBL3694829,6.79
+Nc1nccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1,CHEMBL3694836,6.77
+Nc1nccc(N[C@@H]2CCNC2)n1,CHEMBL3694835,6.79
+Nc1nccc(N2CCNCC2)n1,CHEMBL3694842,8.24
+CC(N)CNc1ccnc(N)n1,CHEMBL3694844,6.79
+CN1CCN(c2ccnc(N)n2)CC1,CHEMBL501882,8.13
diff --git a/chembl_200/CHEMBL4153.csv b/chembl_200/CHEMBL4153.csv
new file mode 100644
index 0000000000000000000000000000000000000000..841c013a14e34c0a30b682b4e837e5f04aa152d1
--- /dev/null
+++ b/chembl_200/CHEMBL4153.csv
@@ -0,0 +1,1344 @@
+COc1ccc2c(c1)CCCC2CCCN1CCCCC1,CHEMBL558980,8.92
+COc1ccc2c(c1)CCCC2CCCN1CCC(C)CC1,CHEMBL534695,8.75
+COc1ccc2c(c1)CCCC2CCCN1CCCCC1(C)C,CHEMBL537399,6.75
+COc1ccc2c(c1)CCCC2CCCN1CCC(C)(C)CC1,CHEMBL538566,8.93
+COc1ccc2c(c1)CCCC2CCCCN1CCCCC1,CHEMBL537842,9.0
+COc1ccc2c(c1)CCCC2CCCCN1CCC(C)CC1,CHEMBL540573,9.19
+COc1ccc2c(c1)CCCC2CCCCN1CCCCC1(C)C,CHEMBL539545,8.21
+COc1ccc2c(c1)CCCC2CCCCN1CCC(C)(C)CC1,CHEMBL540818,9.52
+COc1ccc2c(CCCN3CCCCC3)cccc2c1,CHEMBL553091,8.11
+COc1ccc2c(CCCN3CCCC[C@H]3C)cccc2c1,CHEMBL542701,8.74
+COc1ccc2c(CCCN3CCCC[C@@H]3C)cccc2c1,CHEMBL538772,8.15
+COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1,CHEMBL552542,8.87
+COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1,CHEMBL554663,8.48
+COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1,CHEMBL559178,8.82
+COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1,CHEMBL540361,5.97
+COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1,CHEMBL537177,9.46
+COc1ccc2c(CCCN3CCC(C)(C)CC3)cccc2c1,CHEMBL536483,8.83
+COc1ccc2c(CCCCN3CCCCC3)cccc2c1,CHEMBL535366,8.94
+COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1,CHEMBL535363,8.84
+COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1,CHEMBL559377,9.3
+COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1,CHEMBL539333,9.62
+COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1,CHEMBL545508,9.18
+COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1,CHEMBL545278,10.52
+COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1,CHEMBL554450,7.65
+COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1,CHEMBL544343,9.44
+COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1,CHEMBL540563,8.65
+CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1,CHEMBL190883,8.867
+COC(=O)C1(c2ccccc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL221348,8.51
+COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1CN1CCN(c2ncccn2)CC1,CHEMBL225653,6.21
+COC(=O)C1(c2ccc(Cl)cc2)CC1CN1CCN(c2ncccn2)CC1,CHEMBL221347,6.46
+COC(=O)C1(c2ccc(OC)cc2)CC1CN1CCN(c2ncccn2)CC1,CHEMBL434385,5.69
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCN(c2ncccn2)CC1,CHEMBL222394,6.45
+COC(=O)C1(c2ccccc2)CC1CN1CCN(c2ncccn2)CC1,CHEMBL373686,5.51
+COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1CN1CCN(c2ccccn2)CC1,CHEMBL222444,6.11
+COC(=O)C1(c2ccc(Cl)cc2)CC1CN1CCN(c2ccccn2)CC1,CHEMBL222307,6.15
+COC(=O)C1(c2ccc(OC)cc2)CC1CN1CCN(c2ccccn2)CC1,CHEMBL386931,5.9
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCN(c2ccccn2)CC1,CHEMBL386002,6.3
+COC(=O)C1(c2ccccc2)CC1CN1CCN(c2ccccn2)CC1,CHEMBL222736,5.88
+COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1CN1CCC(Cc2ccccc2)CC1,CHEMBL375499,9.17
+COC(=O)C1(c2ccc(Cl)cc2)CC1CN1CCC(Cc2ccccc2)CC1,CHEMBL225516,9.09
+COC(=O)C1(c2ccc(OC)cc2)CC1CN1CCC(Cc2ccccc2)CC1,CHEMBL426724,9.0
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(Cc2ccccc2)CC1,CHEMBL374686,9.01
+COC(=O)C1(c2ccccc2)CC1CN1CCC(Cc2ccccc2)CC1,CHEMBL222236,8.66
+COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222235,8.72
+COC(=O)C1(c2ccc(Cl)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222445,8.77
+COC(=O)C1(c2ccc(OC)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL385795,8.51
+COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1,CHEMBL222301,8.78
+CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13,CHEMBL222287,6.6
+CN(C)CCCC(C)(O)c1ccc2ccccc2c1,CHEMBL376808,7.6
+CC(CCN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL224151,8.24
+CC(CCN(C)Cc1ccccc1)c1ccc2ccccc2c1,CHEMBL387955,8.27
+C/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL224099,8.2
+C/C(=C\CN(C)Cc1ccccc1)c1ccc2ccccc2c1,CHEMBL427246,8.1
+CC(CCN(C)C)c1ccc(-c2ccccc2)cc1,CHEMBL224095,8.99
+COc1ccc2cc(C(C)CCN(C)C)ccc2c1,CHEMBL223337,8.64
+CC(CCN(C)C)c1ccc2cc(O)ccc2c1,CHEMBL224588,7.72
+CC(CCN(C)C)c1cccc2ccccc12,CHEMBL387519,7.33
+CC(CCN(C)C)c1ccc2ccccc2c1,CHEMBL224855,8.71
+C/C(=C\CN(C)C)c1ccc(-c2ccccc2)cc1,CHEMBL448782,8.85
+COc1ccc2cc(/C(C)=C/CN(C)C)ccc2c1,CHEMBL224021,7.67
+C/C(=C\CN(C)C)c1ccc2cc(O)ccc2c1,CHEMBL223969,6.64
+C/C(=C\CN(C)C)c1cccc2ccccc12,CHEMBL224138,6.99
+C/C(=C\CN(C)C)c1ccc2ccccc2c1,CHEMBL224085,7.7
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OCCF)CC2,CHEMBL389261,4.64
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(I)cc(OC)c1OCCF)CC2,CHEMBL227071,5.67
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(I)ccc1OCCF)CC2,CHEMBL387741,5.89
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)ccc1OCCF)CC2,CHEMBL226540,5.97
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OCCF)CC2,CHEMBL226539,6.48
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OCCF)CC2,CHEMBL226538,4.82
+CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC,CHEMBL128930,5.78
+COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN(C)C(C)C,CHEMBL387647,5.28
+CCCN(CCC)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC,CHEMBL229857,5.11
+O=C(NCCCCNN1CC2CCC1C2)c1ccc(I)cc1,CHEMBL231120,7.49
+CCCN(CCC)CCCCNC(=O)c1ccc(I)cc1,CHEMBL395005,5.89
+O=C(NCCN1CCN(CCO)CC1)c1ccc(I)cc1,CHEMBL231119,6.85
+O=C(NCCN1CCN(CCF)CC1)c1ccc(I)cc1,CHEMBL230904,8.22
+CCN(CC)CCNC(=O)c1cc(I)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC,CHEMBL230903,6.19
+CCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC,CHEMBL230692,6.1
+CCCCNCCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC,CHEMBL395027,5.6
+COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCNN1CC2CCC1C2,CHEMBL230693,6.17
+CCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC,CHEMBL441909,5.8
+CN1CC2CC[C@@H](O)C1CN2Cc1ccccc1,CHEMBL396978,5.3
+COC1(OC)CCC2CN(C)C1CN2Cc1ccccc1,CHEMBL244450,5.46
+c1ccc(CCN2CC3CCC(OCc4ccccc4)C2CN3Cc2ccccc2)cc1,CHEMBL244449,6.76
+CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL429103,7.4
+CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL394352,7.79
+COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL244652,7.12
+CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1,CHEMBL244650,7.88
+CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1,CHEMBL242297,5.87
+O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL242077,7.53
+O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL395304,7.48
+CCCCN1CC2CCC(O)C1CN2Cc1ccccc1,CHEMBL395069,7.63
+CN1CC2CC[C@H](O)C1CN2Cc1ccccc1,CHEMBL390022,5.62
+COc1cccc2c(CCCN3CCCC(C)(C)C3)cccc12,CHEMBL535410,7.35
+c1ccc2c(c1)c1ccccc1n2CCCN1CCN(C2CCCCC2)CC1,CHEMBL536305,5.46
+CC1(C)CCCN(CCCCCn2c3ccccc3c3ccccc32)C1,CHEMBL538091,6.86
+CC1(C)CCCN(CCCCn2c3ccccc3c3ccccc32)C1,CHEMBL555969,6.76
+CC1(C)CCCN(CCCn2c3ccccc3c3ccccc32)C1,CHEMBL536759,5.69
+Oc1ccc2cccc(CCCN3CCN(C4CCCCC4)CC3)c2c1,CHEMBL535634,8.26
+Oc1ccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc2c1,CHEMBL541390,8.17
+CC1(C)CCCN(CCCc2cccc3ccc(O)cc23)C1,CHEMBL558572,6.13
+CC1(C)CCCN(CCCc2cccc3cc(O)ccc23)C1,CHEMBL537696,6.47
+COc1ccc2cccc(CCCN3CCN(C4CCCCC4)CC3)c2c1,CHEMBL538089,9.05
+COc1ccc2cccc(CCCN3CCCC(C)(C)C3)c2c1,CHEMBL535636,6.94
+COc1ccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc2c1,CHEMBL535857,8.5
+COc1cccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL535856,8.8
+COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3Cc2ccccc2)cc1,CHEMBL391007,8.12
+Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,CHEMBL81602,6.75
+COc1ccc(CN2C[C@@H]3CC[C@H](OC)[C@H]2CN3Cc2ccccc2)cc1,CHEMBL236867,7.6
+COc1ccc(CN2C[C@H]3CC[C@@H](OC)[C@@H]2CN3Cc2ccccc2)cc1,CHEMBL236866,6.9
+COc1ccc(CN2C[C@@H]3CC[C@@H](OC)[C@H]2CN3Cc2ccccc2)cc1,CHEMBL393735,7.59
+COc1ccc(CN2C[C@H]3CC[C@H](OC)[C@@H]2CN3Cc2ccccc2)cc1,CHEMBL393734,6.59
+COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3Cc2ccccc2)cc1,CHEMBL236242,6.9
+COc1ccc(CN2C[C@H]3CC[C@@H](O)[C@@H]2CN3Cc2ccccc2)cc1,CHEMBL238384,6.93
+COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1,CHEMBL238176,8.19
+COc1ccc(CCNCCCCNC(=O)c2cc(Br)cc(OC)c2OC)cc1OC,CHEMBL391153,6.06
+COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4c(cc3C2)OCCCO4)c1OC,CHEMBL394280,5.84
+COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4c(cc3C2)OCCO4)c1OC,CHEMBL246664,6.47
+COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4c(cc3C2)OCO4)c1OC,CHEMBL246662,7.09
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL291439,6.06
+COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC,CHEMBL408867,8.35
+Cc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL269870,8.93
+O=[N+]([O-])c1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL414138,9.43
+COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL272650,9.12
+O=[N+]([O-])c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL272050,9.03
+COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL408821,9.06
+Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL271396,8.87
+Ic1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL271395,9.41
+O=[N+]([O-])c1ccccc1CN1CCN(CCCc2ccccc2)CC1,CHEMBL272819,8.55
+Brc1ccccc1CN1CCN(CCCc2ccccc2)CC1,CHEMBL270474,9.22
+C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,CHEMBL275707,6.05
+COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL138809,8.957
+CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1,CHEMBL259732,8.89
+COC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21,CHEMBL410832,9.3
+COC1OC2(CCNCC2)c2cnn(-c3ccccc3)c21,CHEMBL259941,5.92
+c1ccc(-n2ncc3c2CCC3CCN2CCCCC2)cc1,CHEMBL406018,8.96
+COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL163876,9.33
+C=CCN1C[C@H]2N(Cc3ccc(OC)cc3)C[C@@H]1CCC2(OC)OC,CHEMBL486142,5.9
+C=CCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2(OC)OC,CHEMBL486759,6.23
+C=CCN1C[C@@H]2C(=O)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL525082,5.8
+C=CCN1C[C@H]2C(=O)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL520707,6.26
+C=CCN1C[C@@H]2[C@H](O)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL486761,5.65
+C=CCN1C[C@H]2[C@@H](O)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL520708,6.46
+C=CCN1C[C@@H]2[C@H](O)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL519216,5.04
+C=CCN1C[C@H]2[C@@H](O)CC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL447904,5.01
+C=CCN1C[C@@H]2[C@H](OC)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL521031,5.39
+C=CCN1C[C@H]2[C@@H](OC)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL458608,4.79
+C=CCN1C[C@@H]2[C@@H](O)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL458970,4.64
+C=CCN1C[C@H]2[C@H](O)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL514129,4.76
+C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL459144,5.46
+C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL514130,5.08
+C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL459145,5.24
+C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL456451,4.97
+C=CCN1C[C@@H]2CCC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL456452,7.96
+C=CCN1C[C@H]2CCC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL449942,7.57
+C=CCN1C[C@@H]2CCC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL515840,6.57
+C=CCN1C[C@H]2CCC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL457898,6.25
+O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL129530,7.67
+O=C(c1ccc(Br)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL473547,6.53
+O=C(c1ccccc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL473546,6.66
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL20730,7.314
+O[C@@H]1CC[C@H](OCc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL461956,7.51
+O[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL516814,7.67
+COc1ccc2c(c1)CCC(CN1CCN(c3ccccn3)CC1)C2,CHEMBL138900,6.45
+COc1cccc([C@H]2CC[C@@H](NCCOc3ccccn3)CC2)c1,CHEMBL487359,8.11
+COc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL140287,6.66
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4cccc5ccccc45)CC3)CC2)c1,CHEMBL487360,6.62
+COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL485729,6.43
+COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL521350,6.75
+COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL485929,6.71
+COc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL486136,8.54
+COc1cccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)c1,CHEMBL511857,7.61
+COc1ccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL458361,6.54
+c1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL458553,6.1
+c1ccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)cc1,CHEMBL456437,6.98
+Cc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL456435,6.0
+Cc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL457508,7.51
+Clc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL458802,5.96
+Clc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL457720,6.72
+Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL511507,5.29
+Fc1cccc(F)c1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL457721,6.72
+COc1cccc(OC)c1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL513936,6.67
+Cc1cccc(C)c1C1=CCC(N2CCN(c3ccccn3)CC2)CC1,CHEMBL457731,6.75
+c1ccc(CCN2CCCCC2)cc1,CHEMBL75228,6.51
+Cc1cccc(C)c1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1,CHEMBL511680,8.2
+Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,CHEMBL281594,7.29
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,7.08
+O=C(Cc1ccccc1)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL507255,7.06
+C=CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL489601,7.34
+CCCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL487088,6.53
+CCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL490424,7.09
+CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495726,7.12
+O[C@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495520,7.48
+O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL495519,7.55
+O=C(CCCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL444690,6.61
+O=C(CCc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL443649,6.63
+O=C(Cc1ccccc1)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL505059,6.87
+C=CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL496753,7.06
+CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,CHEMBL502790,7.05
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+COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL511587,9.1
+OC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL466096,8.48
+O=C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL513470,8.013
+Fc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1,CHEMBL466289,9.74
+N#CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL468929,9.07
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+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCF,CHEMBL480433,5.7
+C=CCN1C2CCCC1CC(OC(=O)Nc1cc(C)ccc1OC)C2,CHEMBL508251,5.9
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccncc1,CHEMBL480625,5.81
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1cccnc1,CHEMBL479259,5.63
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(F)nc1,CHEMBL479260,5.6
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(SC)cc1,CHEMBL516442,5.69
+COc1ccc(CN2C3CCCC2CC(OC(=O)Nc2cc(C)ccc2OC)C3)cc1,CHEMBL479453,6.49
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(CCF)cc1,CHEMBL479648,5.77
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(N(C)C)cc1,CHEMBL481418,5.84
+COc1ccc(CCN2C3CCCC2CC(OC(=O)Nc2cc(C)ccc2OC)C3)cc1,CHEMBL480046,6.35
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(CCF)cc1,CHEMBL517541,5.58
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(N(C)C)cc1,CHEMBL480047,5.73
+CCn1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21,CHEMBL62023,5.2
+COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1,CHEMBL481425,7.03
+COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OO)c(OO)cc2C1,CHEMBL480252,5.51
+COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL141209,8.89
+CCCCCCCCN1CCC2(CC1)OC(OC)Cc1sccc12,CHEMBL493260,8.29
+CCCCCN1CCC2(CC1)OC(OC)Cc1sccc12,CHEMBL495071,8.8
+CCCCN1CCC2(CC1)OC(OC)Cc1sccc12,CHEMBL494870,8.37
+COC1Cc2sccc2C2(CCN(CC=C(C)C)CC2)O1,CHEMBL494869,9.0
+COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1,CHEMBL494868,8.7
+COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1,CHEMBL492446,9.21
+COc1ccc(CN2CCC3(CC2)OC(OC)Cc2sccc23)cc1,CHEMBL492249,8.66
+COC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL492247,8.11
+COC1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL495311,8.62
+COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1,CHEMBL502487,9.0
+COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL495309,9.54
+COC1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL493259,8.22
+COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL521657,9.49
+COC1Cc2sccc2C2(CCNCC2)O1,CHEMBL495310,6.22
+COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3c2ccccc2)cc1,CHEMBL471014,5.2
+COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3Cc2ccccc2)cc1,CHEMBL513736,6.88
+COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3Cc2ccccc2)cc1,CHEMBL471013,7.28
+COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3CC=C(C)C)cc1,CHEMBL472049,7.77
+COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3CC=C(C)C)cc1,CHEMBL507875,7.7
+CCCN1C[C@H]2C(=O)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL512850,7.17
+CCCN1C[C@@H]2C(=O)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL454978,6.49
+OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1,CHEMBL477036,7.42
+OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1,CHEMBL513224,8.13
+COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC,CHEMBL518434,6.49
+OC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,CHEMBL60859,6.58
+C=CCN1C[C@@H]2[C@H](OCc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL523045,6.44
+C=CCN1C[C@H]2[C@@H](OCc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL507980,5.98
+C=CCN1C[C@@H]2[C@@H](OCc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL495167,6.81
+C=CCN1C[C@H]2[C@H](OCc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL495168,7.04
+C=CCN1C[C@@H]2[C@@H](COc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL2021503,6.41
+C=CCN1C[C@H]2[C@H](COc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL2021504,5.9
+C=CCN1C[C@@H]2[C@H](COc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL2021505,5.67
+C=CCN1C[C@@H]2[C@H](Oc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL494192,5.39
+C=CCN1C[C@@H]2[C@@H](COc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL2021509,5.26
+C=CCN1C[C@H]2[C@H](COc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL2021510,5.79
+C=CCN1C[C@@H]2[C@@H](Oc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL521812,5.8
+C=CCN1C[C@H]2[C@H](Oc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL492565,5.55
+C=CCN1C[C@@H]2/C(=C\c3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL492566,5.92
+C=CCN1C[C@H]2/C(=C\c3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1,CHEMBL523331,6.98
+C=CCN1C[C@@H]2/C(=C\c3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL523495,6.33
+C=CCN1C[C@H]2/C(=C\c3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL522703,6.5
+C=CCN1C[C@@H]2c3[nH]c4ccc(OC)cc4c3C[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL523038,4.98
+C=CCN1C[C@@H]2c3[nH]c4ccc(OC)cc4c3C[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL494782,5.2
+C=CCN1C[C@@H]2c3nc4ccccc4c(C)c3C[C@H]1CN2Cc1ccc(OC)cc1,CHEMBL492576,5.79
+C=CCN1C[C@@H]2c3nc4ccccc4c(C)c3C[C@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL492777,5.26
+C=CCN1C[C@H]2c3nc4ccccc4c(C)c3C[C@@H]1CN2Cc1ccc(OC)cc1OC,CHEMBL521691,5.79
+COc1cccc2c1CCCC2CCCCCN1CCC(C2CCCCC2)CC1,CHEMBL584767,6.63
+COc1cccc2c1CCCC2CCCN1CCC(C2CCCCC2)CC1,CHEMBL583580,6.84
+COc1cccc2c1CCCC2CCCN1CCC(O)(C2CCCCC2)CC1,CHEMBL573695,8.25
+COc1cccc2c1CCCC2CCCC1CCN(C2CCCCC2)CC1,CHEMBL573932,8.96
+COc1cccc2c1CCCC2OCCN1CCC(C2CCCCC2)CC1,CHEMBL574155,7.04
+COc1cccc2c1CCCC2NCCN1CCC(C2CCCCC2)CC1,CHEMBL576193,9.17
+COc1cccc2c1CCCC2CCC(=O)N1CCN(C2CCCCC2)CC1,CHEMBL573234,9.96
+COc1cccc2c1CCCC2CCCN1CC[N+](C)(C2CCCCC2)CC1,CHEMBL574598,6.47
+COc1cccc2c1CCCC2CCC[N+]1(C)CCN(C2CCCCC2)CC1,CHEMBL582875,7.2
+COc1cccc2c1CCCC2CCCN1CCNCC1,CHEMBL50079,6.66
+COc1cccc2c1CCCC2CCCN1CCCCC1,CHEMBL134607,8.47
+COc1cccc2c1CCCC2CCCN1CCOCC1,CHEMBL583945,8.04
+COc1cccc2c1CCCC2CCCNCC(=O)NC1CCCCC1,CHEMBL575262,5.41
+CCN1CCN(C2CCCCC2)CC1,CHEMBL575238,7.2
+C1CCC(N2CCN(C3CCCCC3)CC2)CC1,CHEMBL573703,8.69
+O=C(C1CCCCC1)N1CCN(C2CCCCC2)CC1,CHEMBL573704,8.44
+C1CCC(CCCN2CCN(C3CCCCC3)CC2)CC1,CHEMBL574821,9.6
+Cc1ccc(S(=O)(=O)OCCCC2OC3(CCN(Cc4ccccc4)CC3)c3ccccc32)cc1,CHEMBL582996,8.09
+CCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL582865,8.49
+OCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL578041,8.48
+C=CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL583994,8.74
+FCCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL583002,9.24
+CCCCCCCCN1CCC2(CC1)OC(CCCF)c1ccccc12,CHEMBL574235,7.43
+CCCCN1CCC2(CC1)OC(CCCF)c1ccccc12,CHEMBL573163,8.35
+CC(C)=CCN1CCC2(CC1)OC(CCCF)c1ccccc12,CHEMBL584199,8.7
+CC(c1ccccc1)N1CCC2(CC1)OC(CCCF)c1ccccc12,CHEMBL574124,8.14
+FCCCC1OC2(CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21,CHEMBL575127,5.95
+FCCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL568255,8.72
+FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL575994,8.85
+CCCCN1CCC2(CC1)OC(OC)Cc1ccccc12,CHEMBL577956,8.64
+CCCCCCCCN1CCC2(CC1)OC(OC)Cc1ccccc12,CHEMBL570269,8.01
+CO[C@H]1Cc2ccccc2[C@]2(CCCN(Cc3ccccc3)C2)O1,CHEMBL570272,5.76
+CO[C@@H]1Cc2ccccc2[C@]2(CCCN(Cc3ccccc3)C2)O1,CHEMBL570925,5.84
+CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1,CHEMBL572254,6.33
+CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1,CHEMBL569823,6.14
+CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1,CHEMBL576879,5.91
+CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1,CHEMBL583266,6.42
+CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1,CHEMBL570039,5.93
+CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1,CHEMBL570040,6.41
+CCCCN1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12,CHEMBL571152,6.01
+CCCCN1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12,CHEMBL576497,6.27
+CCCCCCN1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12,CHEMBL568983,6.8
+CCCCCCN1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12,CHEMBL569123,6.54
+CCCCCCCCN1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12,CHEMBL569109,5.97
+CCCCCCCCN1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12,CHEMBL569110,5.53
+CCCCCCCCCCN1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12,CHEMBL576904,5.68
+CCCCCCCCCCN1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12,CHEMBL569344,5.36
+O=C(c1ccccc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1204030,6.55
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1204031,6.52
+O=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1204032,7.8
+O=C(c1ccc(Br)s1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1204034,7.53
+O=C(c1ccc(I)s1)C1CCN([C@@H]2CCCC[C@H]2O)CC1,CHEMBL1204035,8.03
+O=C(c1ccc(Br)s1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL1204037,6.89
+O=C(c1ccc(I)s1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL1204038,6.71
+Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)[C@H](O)C2,CHEMBL1204039,6.0
+Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(Br)cc3)CC1)[C@H](O)C2,CHEMBL1204040,6.4
+Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3cccs3)CC1)[C@H](O)C2,CHEMBL1204041,6.0
+Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(Br)s3)CC1)[C@H](O)C2,CHEMBL1204042,6.0
+Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(F)cc3)CC1)C2,CHEMBL1204043,6.3
+Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3cccs3)CC1)C2,CHEMBL1204044,6.0
+Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(C(=O)c3ccc(Br)s3)CC1)C2,CHEMBL1204045,6.32
+O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1,CHEMBL1204046,6.0
+O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCC(c2ccccc2)CC1,CHEMBL1204047,7.3
+O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCC(Cc2ccccc2)CC1,CHEMBL1204048,7.7
+O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCN(Cc2ccccc2)CC1,CHEMBL1204049,6.93
+CCOC(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL1204050,6.0
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CC[C@H](N3CCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL1096474,5.43
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@@H]2CC[C@H](N3CCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL1095520,6.36
+O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@@H]2CC[C@@H](N3CCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL1096473,6.7
+CCCNCCc1ccc([N+](=O)[O-])cc1,CHEMBL1164167,5.65
+CCCCN(CCCC)CCCc1ccc([N+](=O)[O-])cc1,CHEMBL1163765,9.52
+CCCCN(CCCC)C(=O)CCc1ccc(F)cc1,CHEMBL1163832,4.49
+CCCCCCCCN(CCCCCCCC)C(=O)CCc1ccc(F)cc1,CHEMBL1165436,4.27
+CCCCN(CCCC)CCCc1ccc(F)cc1,CHEMBL1163967,7.75
+CCCCCCCCN(CCCCCCCC)CCCc1ccc(F)cc1,CHEMBL1165772,6.18
+CCCNCCCc1ccc(F)cc1,CHEMBL1163968,7.04
+CCCN(CCCc1ccc(F)cc1)Cc1ccc(N)cc1,CHEMBL1164056,6.79
+CCCN(CCCc1ccc(F)cc1)CCc1ccc(N)cc1,CHEMBL1163915,5.59
+CCCN(CCCc1ccc(F)cc1)Cc1ccc([N-][N+]#N)c(I)c1,CHEMBL1165644,4.05
+CCCN(CCCc1ccc(F)cc1)CCc1ccc([N-][N+]#N)c(I)c1,CHEMBL1163916,5.14
+CCCN(CCCc1ccc([N+](=O)[O-])cc1)CCc1ccc(N)cc1,CHEMBL1163919,8.22
+CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@H](C)C1,CHEMBL372700,10.96
+OC1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1,CHEMBL1164041,6.01
+FC1(F)CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1,CHEMBL1163697,6.09
+c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1,CHEMBL26479,7.46
+CO[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1169950,9.49
+CO[C@H]1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL1169951,8.23
+CO[C@H]1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL1169952,8.11
+CO[C@H]1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL1169953,9.52
+CO[C@H]1Cc2sccc2C2(CCN(CC=C(C)C)CC2)O1,CHEMBL1170968,9.0
+COC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1170969,7.54
+CCOC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1171736,6.84
+NC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1171737,7.01
+c1ccc(CNC[C@H]2Cc3sccc3C3(CCN(Cc4ccccc4)CC3)O2)cc1,CHEMBL1171738,6.71
+NC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1169739,6.46
+CO[C@H]1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1170965,8.005
+CO[C@H]1Cc2sc(C(=O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1171232,8.455
+CO[C@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1171418,8.485
+CCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1171419,8.3
+CO[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1172290,8.855
+CO[C@H]1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL1172292,8.0
+OCC[C@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL1171865,8.025
+OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL1172685,7.985
+CC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1172686,7.73
+O=C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL138286,7.48
+CO[C@@H]1Cc2ccccc2[C@@]2(CCCN(CCc3ccccc3)C2)O1,CHEMBL1172687,6.11
+CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21,CHEMBL1172689,9.065
+COC(OC)c1cc2c(s1)C[C@H](OC)OC21CCN(Cc2ccccc2)CC1,CHEMBL1169778,8.54
+CO[C@H]1Cc2sc([C@H](O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1169779,8.235
+CC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1169780,7.86
+COC(=O)c1cc2c(s1)C[C@H](OC)OC21CCN(Cc2ccccc2)CC1,CHEMBL1170544,7.865
+c1ccc(CCCN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1,CHEMBL1170546,8.947000000000001
+O[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1171727,7.98
+CN(C)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1172492,7.2
+OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL1169963,7.17
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,CHEMBL1170096,6.97
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12,CHEMBL1170095,5.59
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1170683,7.92
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL1170094,6.62
+OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL445102,7.71
+O=C1N(Cc2cn(CCF)nn2)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1171630,6.1
+CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O,CHEMBL1169728,6.48
+O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2,CHEMBL1170085,7.55
+CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O,CHEMBL1169896,6.15
+O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1,CHEMBL1169895,5.73
+O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1,CHEMBL1172214,5.75
+OC1(c2ccc(I)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1171249,9.29
+OC1(c2ccc(Br)cc2)CCN(Cc2coc3ccccc23)CC1,CHEMBL1172213,9.23
+OC1(c2ccccc2)CCN(Cc2cc3ccccc3s2)CC1,CHEMBL1172212,8.67
+OC1(c2ccc(I)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1170456,8.85
+OC1(c2ccc(Br)cc2)CCN(Cc2cc3ccccc3o2)CC1,CHEMBL1172210,8.61
+CSc1ccc(C2(O)CCN(Cc3c[nH]c4ncccc34)CC2)cc1,CHEMBL1172209,8.09
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1172208,8.92
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ncccc23)CC1,CHEMBL1170879,7.82
+COc1ccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2c1,CHEMBL1173778,5.75
+COc1cccc2[nH]cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c12,CHEMBL1173436,5.38
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1,CHEMBL1173366,6.64
+OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1,CHEMBL1173711,5.49
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1,CHEMBL1173363,5.82
+COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1,CHEMBL1173288,6.71
+COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12,CHEMBL1173287,6.06
+OC1(c2ccc(I)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,CHEMBL1173285,8.7
+COC(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1CN1CCC(O)(c2ccccc2)CC1,CHEMBL1215856,8.72
+COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1,CHEMBL1215857,7.89
+OC1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1290051,6.53
+OC1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1290052,6.71
+OC1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1290159,6.42
+O=S(=O)(CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1)c1ccccc1,CHEMBL1290160,6.46
+OC1CN(C2CCC3(CC2)OCCO3)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1290607,6.74
+OC1CN(C2COC(c3ccccc3)OC2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1290725,6.73
+OC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1289057,8.0
+OC1CN([C@H]2CC[C@H](c3ccccc3)CC2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1289058,6.41
+OC1CN(Cc2ccc(N3CCCCC3)cc2)CCc2cc(OCc3ccccc3)ccc21,CHEMBL1289173,6.22
+O=C(CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1)c1ccc(F)cc1,CHEMBL1289288,6.53
+COc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,CHEMBL1289403,6.74
+Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,CHEMBL1289626,6.71
+Oc1ccc2c(c1)CCN(CCCOc1ccccc1)CC2O,CHEMBL1289627,6.77
+CN(Cc1ccccc1)C(=O)CN1CCc2cc(O)ccc2C(O)C1,CHEMBL1289731,6.76
+Oc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3ccccc3)CC1)CC2O,CHEMBL1289837,6.91
+Oc1ccc2c(c1)CCN([C@H]1CC[C@H](c3ccccc3)CC1)CC2O,CHEMBL1289954,6.7
+O=C(CCCN1CCc2cc(O)ccc2C(O)C1)c1ccc(F)cc1,CHEMBL1289955,5.98
+FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1645202,9.23
+OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL357179,7.85
+Cc1ccc(S(=O)(=O)OCCC2OC3(CCN(Cc4ccccc4)CC3)c3ccccc32)cc1,CHEMBL1645203,8.82
+ClCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1645204,8.8
+FCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL1645205,9.24
+OCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL1645206,8.21
+FCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL1645207,9.15
+OCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL1645208,8.17
+ClCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21,CHEMBL1645209,8.66
+CC(c1ccccc1)N1CCC2(CC1)OC(CCF)c1ccccc12,CHEMBL1645210,9.0
+CC(c1ccccc1)N1CCC2(CC1)OC(CCO)c1ccccc12,CHEMBL1645211,7.57
+CCCCN1CCC2(CC1)OC(CCF)c1ccccc12,CHEMBL1645212,8.41
+CCCCN1CCC2(CC1)OC(CCO)c1ccccc12,CHEMBL1645213,7.49
+CCCCCCCCN1CCC2(CC1)OC(CCF)c1ccccc12,CHEMBL1645214,7.82
+CCCCCCCCN1CCC2(CC1)OC(CCO)c1ccccc12,CHEMBL1645215,7.66
+CC(C)=CCN1CCC2(CC1)OC(CCF)c1ccccc12,CHEMBL1645216,8.82
+CCCC1OC2(CCN(C(C)c3ccccc3)CC2)c2ccccc21,CHEMBL1645217,7.66
+OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL1036,8.64
+COc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1,CHEMBL419822,9.89
+COc1cccc2c1CCC[C@H]2OCCN1CCN(C2CCCCC2)CC1,CHEMBL1672038,8.66
+COc1cccc2c1CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1,CHEMBL73854,9.2
+COc1cccc2c1CCC[C@@H]2OCCN1CCN(C2CCCCC2)CC1,CHEMBL1672039,8.49
+COc1cccc2c1CCCC2OCCN1CCN(C2CCCCC2)CC1,CHEMBL1672037,8.41
+COc1cccc2c1CCCC2N(C)CCN1CCN(C2CCCCC2)CC1,CHEMBL1672036,8.38
+COc1cccc2c(NCCN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL1672042,8.26
+COc1cccc2c1CCC[C@H]2NCCN1CCN(C2CCCCC2)CC1,CHEMBL1672034,7.87
+COc1cccc2c1OCCC2CCCN1CCN(C2CCCCC2)CC1,CHEMBL1672040,7.9
+COc1cccc2c1CCCC2NC(=O)CN1CCN(C2CCCCC2)CC1,CHEMBL1672030,7.9
+COc1cccc2c1CCCC2NCCN1CCN(C2CCCCC2)CC1,CHEMBL1672033,7.62
+COc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(C2CCCCC2)CC1,CHEMBL1672031,7.69
+COc1cccc2c1CCC[C@@H]2NC(=O)CN1CCN(C2CCCCC2)CC1,CHEMBL1672032,7.02
+COc1cccc2c1CCC[C@@H]2NCCN1CCN(C2CCCCC2)CC1,CHEMBL1672035,7.63
+COc1cccc2c(NC(=O)CN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL1672041,7.37
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)C2,CHEMBL1682080,5.84
+COc1cc2c(cc1OC)CCN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL1682081,5.29
+COc1cc2c(cc1OC)N(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL1682082,5.34
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CCC2,CHEMBL1682083,5.68
+COc1cc2c(cc1OC)N(CCCCN(N)C(=O)c1cc(Br)cc(OC)c1OC)CCCC2,CHEMBL1682084,5.59
+COc1cc2c(cc1OC)N(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CCC2,CHEMBL1682085,5.35
+COc1cc(Br)cc(C(=O)NCCCCN(C)CCc2ccccc2)c1OC,CHEMBL1682086,6.23
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689012,5.11
+O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,CHEMBL1689009,5.14
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,CHEMBL1689006,4.68
+O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,CHEMBL1689004,5.36
+CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1,CHEMBL1689002,5.71
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1,CHEMBL1688994,5.31
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1,CHEMBL1688992,5.32
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,CHEMBL1688991,5.45
+COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,CHEMBL1688990,5.9
+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL1774575,8.4
+COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL1774576,8.25
+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccccc2)CC1,CHEMBL1774577,8.3
+COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1,CHEMBL1774578,8.15
+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@](O)(c1ccc(Cl)cc1)C2,CHEMBL3084360,7.36
+COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1[C@H]2CC[C@@H]1C[C@](O)(c1ccc(Cl)cc1)C2,CHEMBL3084361,6.28
+COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1C2C=C(c3ccc(Cl)cc3)CC1CC2,CHEMBL1774581,6.4
+COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1C2C=C(c3ccc(Cl)cc3)CC1CC2,CHEMBL1774582,6.7
+CN(C)CCc1c[nH]c2ccccc12,CHEMBL12420,4.82
+COC1Cc2ccccc2[C@]2(CC[C@@H](NCc3ccccc3)CC2)O1,CHEMBL1779993,6.27
+COC1Cc2ccccc2[C@]2(CC[C@H](NCc3ccccc3)CC2)O1,CHEMBL1779994,6.8
+COc1ccc(CN[C@H]2CC[C@@]3(CC2)OC(OC)Cc2ccccc23)cc1,CHEMBL1779995,6.77
+COc1ccc(CN[C@H]2CC[C@]3(CC2)OC(OC)Cc2ccccc23)cc1,CHEMBL1779996,6.76
+COC1Cc2ccccc2[C@]2(CC[C@@H](N(C)Cc3ccccc3)CC2)O1,CHEMBL1779999,7.37
+COC1Cc2ccccc2[C@]2(CC[C@H](N(C)Cc3ccccc3)CC2)O1,CHEMBL1780000,7.62
+CCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(OC)Cc1ccccc12,CHEMBL1780001,6.97
+CNCC[C@@H]1CCO[C@H](c2ccccc2)O1,CHEMBL1783448,6.35
+CN(C)CC[C@@H]1CCO[C@H](c2ccccc2)O1,CHEMBL1783449,5.78
+CN(C)CC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1,CHEMBL1783453,6.18
+c1ccc(CNCC[C@@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL1783454,6.49
+CC[C@@]1(c2ccccc2)OCC[C@@H](CCNC)O1,CHEMBL1783456,6.07
+CC[C@@]1(c2ccccc2)OCC[C@@H](CCN(C)C)O1,CHEMBL1783457,6.29
+CC[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1,CHEMBL1783458,7.635
+NCC[C@@H]1CCOC2(O1)C1CC3CC(C1)CC2C3,CHEMBL1783459,5.9
+NCCC[C@@H]1CCO[C@H](c2ccccc2)O1,CHEMBL1783460,6.78
+CNCCC[C@@H]1CCO[C@H](c2ccccc2)O1,CHEMBL1783461,6.49
+CN(C)CCC[C@@H]1CCO[C@H](c2ccccc2)O1,CHEMBL1783462,5.91
+c1ccc(CNCCC[C@@H]2CCO[C@H](c3ccccc3)O2)cc1,CHEMBL1783463,6.79
+NCCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1,CHEMBL1783464,6.76
+CC[C@@]1(c2ccccc2)OCC[C@@H](CCCN)O1,CHEMBL1783465,5.19
+COc1ccc(CN2CC3CCCC(N4CCCC4)C2CN3Cc2ccccc2)cc1,CHEMBL1782986,6.445
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CC2CCCC(N3CCCC3)C1CN2Cc1ccccc1,CHEMBL1782987,6.71
+O=C1CCc2ccc(OCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1,CHEMBL1813586,6.38
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2N1,CHEMBL1813587,6.36
+O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)cc2N1,CHEMBL1813588,6.8
+CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)C1=O,CHEMBL1813589,5.51
+COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813590,5.93
+O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1,CHEMBL1813591,4.87
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1,CHEMBL1813585,6.77
+COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,CHEMBL1813592,6.21
+COc1cc(C)ccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813593,6.42
+COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813594,5.58
+O=c1ccc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2[nH]1,CHEMBL1813595,4.68
+COc1ccccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813596,6.12
+COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813597,5.59
+COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL1813598,5.87
+COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1,CHEMBL1813599,5.79
+Cc1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1,CHEMBL1822239,8.09
+O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1,CHEMBL50880,7.04
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2O)CC1,CHEMBL1822386,9.32
+COc1ccc(CN2CC[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)[C@@H](O)C2)cc1,CHEMBL1822387,8.39
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)CC1,CHEMBL1822388,8.87
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3cccnc3)C[C@@H]2O)CC1,CHEMBL1822389,7.64
+COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccc(F)cc4)C[C@@H]3O)CC2)cc1,CHEMBL1822390,8.6
+COc1ccc(CN2CC[C@H](N3CCC(C(=O)c4ccc(OC)cc4)CC3)[C@@H](O)C2)cc1,CHEMBL1822391,7.59
+COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccccc4)C[C@@H]3O)CC2)cc1,CHEMBL1822392,8.39
+COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4cccnc4)C[C@@H]3O)CC2)cc1,CHEMBL1822393,7.22
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2O)CC1,CHEMBL1822394,5.5
+COc1ccc(C(=O)N2CC[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)[C@@H](O)C2)cc1,CHEMBL1822395,5.65
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)CC1,CHEMBL1822396,5.55
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3cccnc3)C[C@@H]2O)CC1,CHEMBL1822397,5.11
+COc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccc(F)cc4)C[C@@H]3O)CC2)cc1,CHEMBL1822398,5.68
+COc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccccc4)C[C@@H]3O)CC2)cc1,CHEMBL1822399,5.69
+COc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3O)CC2)cc1,CHEMBL1822400,4.57
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2O)CC1,CHEMBL1822401,7.3
+COc1ccc(CN2CC[C@H](O)[C@@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1,CHEMBL1822402,7.04
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccccc3)CC[C@@H]2O)CC1,CHEMBL1822403,6.97
+O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3cccnc3)CC[C@@H]2O)CC1,CHEMBL1822404,5.94
+COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccc(F)cc4)CC[C@@H]3O)CC2)cc1,CHEMBL1822405,6.86
+COc1ccc(CN2CC[C@H](O)[C@@H](N3CCC(C(=O)c4ccc(OC)cc4)CC3)C2)cc1,CHEMBL1822406,6.53
+COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccccc4)CC[C@@H]3O)CC2)cc1,CHEMBL1822407,6.68
+COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4cccnc4)CC[C@@H]3O)CC2)cc1,CHEMBL1822408,5.65
+COc1cccc2c1CCCC2CCCN1CCN(C2CCN(CCCCCCNc3ccc([N+](=O)[O-])c4nonc34)CC2)CC1,CHEMBL1822595,5.59
+O=[N+]([O-])c1ccc(NCCCCCCOc2cccc3c2CCCC3CCCN2CCN(C3CCCCC3)CC2)c2nonc12,CHEMBL1822597,7.1
+O=[N+]([O-])c1ccc(NCCOCCOc2cccc3c2CCCC3CCCN2CCN(C3CCCCC3)CC2)c2nonc12,CHEMBL1822598,7.02
+CN(C)c1cccc2c(S(=O)(=O)NCCCCCCOc3cccc4c3CCCC4CCCN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL1822599,8.04
+CN(C)c1cccc2c(S(=O)(=O)NCCOCCOc3cccc4c3CCCC4CCCN3CCN(C4CCCCC4)CC3)cccc12,CHEMBL1822600,7.7
+Fc1ccc(CCN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824790,7.89
+Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824789,8.08
+COc1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824788,7.91
+COc1cccc(CN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824787,6.62
+Fc1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824786,7.92
+Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1,CHEMBL1824785,7.66
+c1ccc(CN2C3CC4CC(C3)CC2C4)cc1,CHEMBL1824784,7.54
+OC12CC3CC(CC(C3)N1CCc1ccc(F)cc1)C2,CHEMBL1824783,6.61
+OC12CC3CC(CC(C3)N1CCc1cccc(F)c1)C2,CHEMBL1824782,6.63
+COc1ccc(CN2C3CC4CC(C3)CC2(O)C4)cc1,CHEMBL1824781,5.91
+COc1cccc(CN2C3CC4CC(C3)CC2(O)C4)c1,CHEMBL1824780,5.71
+OC12CC3CC(CC(C3)N1Cc1ccc(F)cc1)C2,CHEMBL1824779,6.19
+OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2,CHEMBL1824778,6.06
+OC12CC3CC(CC(C3)N1Cc1ccccc1)C2,CHEMBL1824777,5.84
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL1830682,5.67
+COc1cc2c(cc1OC)CN(CCCC1CCCc3c(OC)cccc31)CC2,CHEMBL1830683,6.82
+COc1cc2c(cc1OC)CN(CCCNC(=O)c1cc(C)ccc1OC)CC2,CHEMBL1830684,6.27
+COc1ccc(C)cc1C(=O)NCCCN1CCN(C2CCCCC2)CC1,CHEMBL1830685,7.34
+COc1cc2c(cc1OC)CN(CCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,CHEMBL1830686,5.36
+COc1cc(Br)cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)c1OC,CHEMBL1830687,7.59
+COc1cc(Br)c(C(=O)NCCCN2CCc3cc(OC)c(OC)cc3C2)cc1OC,CHEMBL1830688,5.59
+COc1cc(Br)c(C(=O)NCCCN2CCN(C3CCCCC3)CC2)cc1OC,CHEMBL1830689,6.57
+COc1cc2c(cc1OC)CN(CCCNC(=O)C1CCCc3c(OC)cccc31)CC2,CHEMBL1830690,6.84
+COc1cccc2c1CCCC2C(=O)NCCCN1CCN(C2CCCCC2)CC1,CHEMBL1830691,7.45
+COc1cc2c(cc1OC)CN(CCCN1CCc3ccccc3C1=O)CC2,CHEMBL1828651,6.15
+O=C1c2ccccc2CCN1CCCN1CCN(C2CCCCC2)CC1,CHEMBL1830692,7.61
+Cn1ncc2c1CCOC21CCN(N2CCC(c3ccccc3)CC2)CC1,CHEMBL1829565,8.15
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1829566,8.82
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1,CHEMBL1829568,9.03
+COc1ccc(CN2CCC3(CC2)OC(OC)Cc2c3cnn2-c2ccccc2)cc1,CHEMBL1829569,8.82
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccco3)CC2)O1,CHEMBL1829570,8.66
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1,CHEMBL1829571,8.57
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL1829572,8.49
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1,CHEMBL1829573,8.49
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL1829574,9.26
+CCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1,CHEMBL1829575,7.48
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(C(C)C)CC2)O1,CHEMBL1829576,6.68
+CCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1,CHEMBL1829577,8.1
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1,CHEMBL1829578,8.2
+CCCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1,CHEMBL1829579,9.09
+COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1,CHEMBL1829580,9.01
+C=C(C)CCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1,CHEMBL1829581,8.8
+CCCCCCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1,CHEMBL1829659,8.54
+COC1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1829660,7.68
+COC1Cc2c(cnn2C)C2(CCN(Cc3ccc(F)cc3)CC2)O1,CHEMBL1829661,7.68
+COC1Cc2c(cnn2C)C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL1829662,7.03
+COC1Cc2c(cnn2C)C2(CCN(CCC(C)C)CC2)O1,CHEMBL1829664,7.74
+OC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1829665,7.57
+Cn1ncc2c1CC(O)OC21CCN(Cc2ccccc2)CC1,CHEMBL1829666,6.72
+C1=Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL1829667,8.83
+Cn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1,CHEMBL1829668,7.92
+c1ccc(CN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1,CHEMBL1829669,8.77
+CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1,CHEMBL1829670,9.01
+C=C(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1,CHEMBL1829671,9.01
+Cn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1,CHEMBL1829672,8.04
+CC(C)CCN1CCC2(CC1)OCCc1c2cnn1C,CHEMBL1829673,7.52
+C=C(C)CCN1CCC2(CC1)OCCc1c2cnn1C,CHEMBL1829674,7.85
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL103,6.18
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1F,CHEMBL1877016,8.47
+COc1ccc(/C(C)=C/CN(C)C)cc1,CHEMBL1917699,6.09
+C/C(=C\CN(C)Cc1ccccc1)c1ccccc1,CHEMBL1917701,7.04
+COc1ccc(/C(C)=C/CN(C)Cc2ccccc2)cc1,CHEMBL1917702,8.28
+COc1cccc(/C(C)=C/CN(C)Cc2ccccc2)c1,CHEMBL1917703,8.0
+C/C(=C\CN1CCCCC1)c1ccc2ccccc2c1,CHEMBL1917704,9.01
+C/C(=C\CN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1917705,9.07
+C/C(=C\CN1CCCCC1)c1ccccc1,CHEMBL1917706,6.34
+COc1ccc(/C(C)=C/CN2CCCCC2)cc1,CHEMBL1917707,7.85
+COc1cccc(/C(C)=C/CN2CCCCC2)c1,CHEMBL1917708,7.04
+C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1,CHEMBL1917709,7.64
+C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1,CHEMBL1917710,8.15
+C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccccc1,CHEMBL1917711,8.97
+COc1ccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL1917712,8.38
+COc1cccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)c1,CHEMBL1917713,8.11
+C/C(=C\CN1CCOCC1)c1ccc2ccccc2c1,CHEMBL1917714,8.02
+C/C(=C\CN1CCOCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1917715,7.94
+CC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1917719,9.1
+COc1cccc2c1CCCC2CCCCN1CCCC(C)(C)C1,CHEMBL128358,8.67
+CC1(C)CCCN(CCCCC2CCc3ccccc32)C1,CHEMBL1929275,8.76
+CC1(C)CCCN(CCCC2CCCc3[nH]ccc32)C1,CHEMBL1929276,7.57
+CC1(C)CCCN(CCCc2cccc3occc23)C1,CHEMBL1929277,7.2
+CC1(C)CCCN(CCCc2cccc3sccc23)C1,CHEMBL1929278,7.28
+CC1(C)CCCN(CCCC2CCCc3sccc32)C1,CHEMBL1929279,9.68
+CC1(C)CCCN(CCCC2CCCCc3ccccc32)C1,CHEMBL1929281,9.42
+CC1(C)CCCN(CCCCC2CCCCc3ccccc32)C1,CHEMBL1929282,9.85
+CC1(C)CCCN(Cc2cc3ccccc3o2)C1,CHEMBL1929283,5.43
+CC1(C)CCCN(CCCn2ccc3ccccc32)C1,CHEMBL1929284,7.29
+CC1(C)CCCN(CCCn2nnc3ccccc32)C1,CHEMBL1929285,6.47
+CC1(C)CCCN(CCCc2c[nH]c3ccccc23)C1,CHEMBL1929286,7.38
+CC1(C)CCCN(CCCCC2CCCCC2)C1,CHEMBL1929287,8.99
+CC1(C)CCCN(CCNc2nc3ccccc3s2)C1,CHEMBL1929428,6.25
+CC1(C)CCCN(CCNc2nccs2)C1,CHEMBL1929429,6.34
+CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1,CHEMBL1929430,7.85
+O=C(CN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc(O)cc12,CHEMBL1940484,6.36
+FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939698,9.13
+FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL1939699,8.92
+OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL358579,8.35
+FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL1939700,9.85
+CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21,CHEMBL1939701,8.96
+CC(c1ccccc1)N1CCC2(CC1)OC(CF)c1ccccc12,CHEMBL1939702,8.44
+CC1OC2(CCN(C(C)c3ccccc3)CC2)c2ccccc21,CHEMBL1939703,8.04
+Cc1ccc(S(=O)(=O)OCC2OC3(CCN(Cc4ccccc4)CC3)c3ccccc32)cc1,CHEMBL1939704,8.54
+COC1OC2(CCN(Cc3ccccc3)C2)c2ccccc21,CHEMBL2035283,7.6
+CCCCN1CCCC2(C1)OC(OC)Cc1ccccc12,CHEMBL2035273,6.0
+COC1Cc2ccccc2C2(CCN(Cc3ccccc3)C2)O1,CHEMBL2035274,7.14
+COC1Cc2ccccc2C2(CCN(CCc3ccccc3)C2)O1,CHEMBL2035275,7.6
+COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)C2)O1,CHEMBL2035276,7.28
+CCCCN1CCC2(C1)OC(OC)Cc1ccccc12,CHEMBL2035277,6.98
+CCCCCCCCN1CCC2(C1)OC(OC)Cc1ccccc12,CHEMBL2034985,8.03
+COC1OC2(CCN(CCc3ccccc3)C2)c2ccccc21,CHEMBL2035278,7.66
+COC1OC2(CCN(CCCCc3ccccc3)C2)c2ccccc21,CHEMBL2035279,7.68
+CCCCN1CCC2(C1)OC(OC)c1ccccc12,CHEMBL2035280,7.26
+CCCCCCCCN1CCC2(C1)OC(OC)c1ccccc12,CHEMBL2035281,8.08
+COC1OC2(CCN(CCCCn3ccnc3)C2)c2ccccc21,CHEMBL2035282,5.82
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]2O)CC1,CHEMBL2047120,5.51
+COc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1,CHEMBL2047121,6.18
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccccc3)CC[C@H]2O)CC1,CHEMBL2047122,4.42
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3cccnc3)CC[C@H]2O)CC1,CHEMBL2047123,4.86
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3cccs3)CC[C@H]2O)CC1,CHEMBL2047124,4.65
+Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1,CHEMBL2047125,5.55
+Cc1ccsc1C(=O)N1CC[C@@H](O)[C@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1,CHEMBL2047126,4.92
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(F)cc4)CC[C@H]3O)CC2)cc1,CHEMBL2047127,4.92
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(OC)cc4)CC[C@H]3O)CC2)cc1,CHEMBL2047128,5.28
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3O)CC2)cc1,CHEMBL2047232,5.24
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4cccnc4)CC[C@H]3O)CC2)cc1,CHEMBL2047233,5.07
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4cccs4)CC[C@H]3O)CC2)cc1,CHEMBL2047234,4.47
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(C)s4)CC[C@H]3O)CC2)cc1,CHEMBL2047235,4.4
+COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4sccc4C)CC[C@H]3O)CC2)cc1,CHEMBL2047236,4.82
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCN(C(=O)c3cccs3)C[C@H]2O)CC1,CHEMBL2047237,5.78
+Cc1ccsc1C(=O)N1CC[C@@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)[C@H](O)C1,CHEMBL2047238,5.24
+COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O)CC2)cc1,CHEMBL2047239,5.87
+COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccc(C)s4)C[C@H]3O)CC2)cc1,CHEMBL2047240,5.63
+COC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064197,7.54
+CCOC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064196,6.84
+NC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064195,6.46
+NCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2062543,7.01
+c1ccc(CNCC2Cc3sccc3C3(CCN(Cc4ccccc4)CC3)O2)cc1,CHEMBL2064194,6.71
+OCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064193,8.27
+CN(C)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064192,7.2
+O=C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064191,6.53
+N#CCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064190,7.19
+CC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064189,8.03
+COC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064188,7.92
+CCOC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064187,7.7
+OCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064186,7.57
+COC1Cc2sc(C(OC)OC)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064185,8.64
+COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064184,8.89
+COC1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064183,8.48
+COC1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064182,8.24
+COC1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064181,7.77
+COC1Cc2sc(C(O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064180,8.44
+COC1Cc2sc(C(=O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064204,8.43
+COC1Cc2sc(C#N)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064206,8.96
+COC(=O)c1cc2c(s1)CC(OC)OC21CCN(Cc2ccccc2)CC1,CHEMBL2064207,7.96
+OC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064203,8.44
+N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064202,8.85
+N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL2064201,9.34
+C1=Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064200,8.7
+C1=Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL2064199,8.77
+c1ccc(CN2CCC3(CC2)OCCc2sccc23)cc1,CHEMBL2064198,9.51
+COC1Cc2sc(C=NO)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2064205,7.41
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214830,9.74
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214831,9.74
+FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1917286,10.3
+CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214892,7.99
+FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL1214893,8.79
+COc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1,CHEMBL2069962,7.37
+CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1,CHEMBL2069963,7.71
+FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1,CHEMBL2069964,8.19
+CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1,CHEMBL2069965,7.27
+FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1,CHEMBL2069966,7.68
+COc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL2069861,9.27
+CCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL2069862,9.71
+FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL2069863,10.0
+CCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL2069864,9.82
+FCCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1,CHEMBL2069865,9.92
+COC1Cc2c(csc2-c2cccnc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170497,8.66
+COC1Cc2c(csc2-c2ccc(C#N)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170496,9.6
+COC1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170501,8.8
+COc1ccc(-c2scc3c2CC(OC)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170500,8.66
+c1ccc(CN2CCC3(CC2)OCCc2c3csc2-c2cccc3ccccc23)cc1,CHEMBL2170499,8.4
+Cc1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170498,8.44
+COC1Cc2c(csc2-c2ccc(-c3ccccc3)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170666,7.52
+COC1Cc2c(csc2-c2cccc3ccccc23)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170665,8.3
+COC1Cc2c(csc2-c2ccc(C(F)(F)F)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170664,8.24
+COC1Cc2c(csc2-c2ccc([N+](=O)[O-])cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170663,9.0
+COC1Cc2c(csc2-c2ccc(C)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170662,8.7
+N#Cc1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170661,8.47
+O=[N+]([O-])c1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170660,8.77
+COc1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170659,8.82
+C1=Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170658,8.47
+OC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170657,7.8
+COC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170656,8.72
+c1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1,CHEMBL2170655,9.0
+COC1Cc2c(-c3ccc(C)cc3)csc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170654,8.57
+COc1ccc(-c2csc3c2CC(OC)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170653,8.15
+COC1Cc2c(-c3ccccc3)csc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170652,8.27
+c1ccc(CN2CCC3(CC2)OCCc2c(-c4ccccc4)csc23)cc1,CHEMBL2170502,8.8
+COC1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170685,8.6
+COC1Cc2cc(-c3ccc(-c4ccccc4)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170684,6.68
+COC1Cc2cc(-c3cccc4ccccc34)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170683,7.92
+COC1Cc2cc(-c3ccc(C(F)(F)F)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170682,7.37
+COC1Cc2cc(-c3ccc(C#N)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170681,7.7
+COC1Cc2cc(-c3ccc(C(C)=O)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170680,7.23
+COC1Cc2cc(-c3ccc([N+](=O)[O-])cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170679,7.8
+COC1Cc2cc(-c3ccc(C)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170678,7.54
+COc1ccc(-c2cc3c(s2)C2(CCN(Cc4ccccc4)CC2)OC(OC)C3)cc1,CHEMBL2170677,7.25
+COC1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170676,7.8
+c1ccc(CN2CCC3(CC2)OCCc2cc(-c4ccccc4)sc23)cc1,CHEMBL2170675,8.62
+COC1Cc2sc(-c3ccc(-c4ccccc4)cc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170674,6.66
+c1ccc(CN2CCC3(CC2)OCCc2cscc23)cc1,CHEMBL2170667,9.46
+c1ccc(CN2CCC3(CC2)OCCc2c3csc2-c2ccccc2)cc1,CHEMBL2170668,8.35
+COC1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170669,9.66
+COC1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170670,9.0
+COC1Cc2sc(-c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170671,8.26
+COc1ccc(-c2cc3c(s2)CC(OC)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2170672,6.95
+COC1Cc2sc(-c3ccc(C#N)cc3)cc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2170673,7.05
+CC(C)(C)[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1,CHEMBL2170302,6.89
+CC(C)(C)[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1,CHEMBL2170301,6.6
+CCC[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1,CHEMBL2170180,7.14
+CCC[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1,CHEMBL2170179,6.87
+CC[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1,CHEMBL2170178,7.55
+C[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1,CHEMBL2170314,7.77
+C[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1,CHEMBL2170313,7.96
+c1ccc(CNCC[C@H]2CCO[C@@H](c3ccccc3)O2)cc1,CHEMBL2170312,7.3
+CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2,CHEMBL2260849,8.9
+CCCc1ccc2c(c1)OCC(=O)N2CCN1CCCCC1,CHEMBL2260847,7.55
+CCCc1ccc2c(c1)sc(=O)n2CCN1C[C@@]2(C)CCC[C@@]2(C)C1,CHEMBL2260846,8.85
+CCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCC1,CHEMBL2260852,8.54
+CCCc1ccc2c(c1)sc(=O)n2CCCN1CCCCC1,CHEMBL2260851,8.92
+CCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1,CHEMBL2260850,8.43
+CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCCC1,CHEMBL272899,9.25
+CCC(=O)c1ccc2c(c1)oc(=O)n2CCCN1CCCCC1,CHEMBL274010,8.07
+CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1,CHEMBL14875,8.64
+CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1,CHEMBL274699,9.22
+O=C(CCCCC1CCSS1)OC1CCN(CCCc2ccccc2)CC1,CHEMBL2324611,4.59
+O=C(CCCCC1CCSS1)OC1CCN(CCc2ccccc2)CC1,CHEMBL2324621,4.87
+O=C(CCCCC1CCSS1)OC1CCN(Cc2ccccc2)CC1,CHEMBL2324620,5.25
+O=C(CCCCC1CCSS1)OC1CCN(CC2CCCCC2)CC1,CHEMBL2324619,5.94
+O=C(CCCCC1CCSS1)N1CCN(CCCc2ccccc2)CC1,CHEMBL2324618,5.0
+O=C(CCCCC1CCSS1)N1CCN(CCc2ccccc2)CC1,CHEMBL2324617,5.08
+O=C(CCCCC1CCSS1)N1CCN(Cc2ccccc2)CC1,CHEMBL2324616,5.74
+O=C(CCCCC1CCSS1)N1CCN(C2CCCCC2)CC1,CHEMBL2324613,6.4
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(Cl)c1,CHEMBL2332495,6.73
+O=[N+]([O-])c1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,CHEMBL2332498,5.96
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(C(F)(F)F)c1,CHEMBL2332497,6.57
+COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,CHEMBL2205825,6.99
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc(F)c(F)c1,CHEMBL2332500,6.7
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1F,CHEMBL2332499,6.74
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(F)c1,CHEMBL608560,6.82
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc(F)cc1,CHEMBL2332501,6.895
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(I)c1,CHEMBL2332503,6.77
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccc(Br)c1,CHEMBL348313,6.68
+OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1,CHEMBL1189234,6.99
+Ic1cccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)c1,CHEMBL1189714,6.91
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1ccc(-c2ccccc2)cc1,CHEMBL2349450,6.4
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3ccc(-c4ccccc4)cc3)c21,CHEMBL2349449,6.11
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3cccc4ccccc34)sc(-c3cccc4ccccc34)c21,CHEMBL2349448,6.11
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1cccc2ccccc12,CHEMBL2349447,6.19
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3cccc4ccccc34)c21,CHEMBL2349446,8.28
+N#Cc1ccc(-c2scc3c2C2(CCN(Cc4ccccc4)CC2)OC3=O)cc1,CHEMBL2349444,6.72
+N#Cc1ccc(-c2scc3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349443,8.2
+COc1ccc(-c2sc(-c3ccc(OC)cc3)c3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349442,6.8
+COc1ccc(-c2scc3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349441,8.05
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3ccccc3)sc(-c3ccccc3)c21,CHEMBL2349555,7.06
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1ccccc1,CHEMBL2349554,6.32
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3ccccc3)c21,CHEMBL2349461,7.96
+COc1ccc(-c2csc3c2CC(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349460,7.37
+O=C1Cc2c(-c3ccccc3)csc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2349459,8.28
+O=C1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2349458,7.64
+O=C1Cc2c(csc2-c2ccc(-c3ccccc3)cc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2349457,6.97
+N#Cc1ccc(-c2scc3c2CC(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349456,7.96
+COc1ccc(-c2scc3c2CC(=O)OC32CCN(Cc3ccccc3)CC2)cc1,CHEMBL2349455,7.96
+O=C1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2349454,8.6
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2cscc21,CHEMBL2349453,7.8
+O=C1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2349452,6.59
+O=C1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL2346692,7.4
+O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,CHEMBL343793,7.68
+COc1ccc2c(CCCCN3C(C)(C)CCCC3(C)C)cccc2c1,CHEMBL2349066,7.05
+COc1ccc2c(CCCN3C(C)(C)CCCC3(C)C)cccc2c1,CHEMBL2349067,6.63
+COc1ccc2c(CCCCN3[C@@H](C)CCC[C@H]3C)cccc2c1,CHEMBL2349068,7.73
+COc1ccc2c(CCCN3[C@@H](C)CCC[C@H]3C)cccc2c1,CHEMBL2349069,8.13
+COc1ccc2c(c1)CCCC2CCCCN1C(C)(C)CCCC1(C)C,CHEMBL2349070,7.44
+COc1ccc2c(c1)CCCC2CCCN1C(C)(C)CCCC1(C)C,CHEMBL2349071,6.43
+COc1ccc2c(c1)CCCC2CCCCN1[C@@H](C)CCC[C@H]1C,CHEMBL2349072,8.06
+COc1ccc2c(c1)CCCC2CCCN1[C@@H](C)CCC[C@H]1C,CHEMBL2349073,6.96
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1,CHEMBL1327876,7.95
+O=S(=O)(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391059,7.17
+O=S(=O)(Cc1cccc(Br)c1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391060,7.52
+O=S(=O)(Cc1cccc(I)c1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391061,8.57
+Cc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1,CHEMBL2391062,7.44
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1,CHEMBL2391063,7.16
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1,CHEMBL2391064,7.29
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(I)c2)CC1,CHEMBL2391065,8.74
+Cc1cccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1,CHEMBL2391066,7.82
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccc(Br)cc2)CC1,CHEMBL1479800,7.87
+COc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1,CHEMBL2391067,6.72
+O=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391068,8.0
+O=S(=O)(Cc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391069,7.4
+O=S(=O)(Cc1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391070,8.8
+O=S(=O)(Cc1cccc(I)c1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391071,9.02
+Cc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1,CHEMBL2391072,8.33
+O=S(=O)(c1ccccc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391073,7.61
+O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1,CHEMBL272551,7.55
+O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391074,6.26
+O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391075,6.01
+O=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391076,7.22
+O=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391077,7.11
+O=S(=O)(/C=C/c1ccccc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391078,6.86
+O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1,CHEMBL1422857,6.7
+O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL2391079,6.07
+O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL2391080,5.97
+c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CHEMBL162522,8.24
+c1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL178153,9.4
+OC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1,CHEMBL2391057,7.42
+C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12,CHEMBL2391541,6.4
+CNc1ccc(C(=O)C2CCN(C3Cc4ccccc4CC3O)CC2)cc1,CHEMBL2409367,5.93
+CNc1ccc(C(=O)C2CCN([C@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1,CHEMBL2409366,6.0
+Cn1cccc1C(=O)C1CCN([C@@H]2Cc3cccc(N)c3C[C@H]2O)CC1,CHEMBL2409380,5.03
+COc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1,CHEMBL2409379,5.25
+Cc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1,CHEMBL2409378,4.94
+Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3cccnc3)CC1)[C@H](O)C2,CHEMBL2407114,4.69
+Cn1cccc1C(=O)C1CCN([C@@H]2Cc3c(N)cccc3C[C@H]2O)CC1,CHEMBL2409377,5.12
+O=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409376,4.7
+O=C(c1ccc(OCCF)nc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409375,5.67
+CNc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1,CHEMBL2409374,6.52
+CN(C)c1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1,CHEMBL2409373,7.39
+O=C(c1cccnc1F)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409372,5.89
+O=C(c1ccc(F)nc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409371,6.17
+Cn1c(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cccc1=O,CHEMBL2409370,5.67
+Cn1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cc1=O,CHEMBL2409369,5.47
+O=C(c1cncc(F)c1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409368,6.15
+COc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409386,4.68
+COc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1,CHEMBL2409385,6.01
+Cc1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1,CHEMBL2409384,5.67
+O=C(c1cccnc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409383,4.89
+Cn1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c1,CHEMBL2409382,5.52
+Cn1cccc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL2409381,5.89
+COc1cc2c(cc1OC)CN(CCCN1CCc3cc(F)ccc3C1=O)CC2,CHEMBL2437383,6.51
+COc1cc2c(cc1OC)CN(CCCN1CCc3cc(OC)c(OC)cc3C1=O)CC2,CHEMBL2437382,5.59
+COc1cc2c(cc1OC)CN(CCCN1CCc3cccc(OC)c3C1=O)CC2,CHEMBL2437385,5.79
+COc1ccc2c(c1)CCN(CCCN1CCc3cc(OC)c(OC)cc3C1)C2=O,CHEMBL2437384,6.4
+COc1cc2c(cc1OC)CN(CCCN1CCc3c(OCCF)cccc3C1=O)CC2,CHEMBL2437386,5.51
+COc1cc2c(cc1OC)CN(CCCN1CCc3c(OC)cccc3C1=O)CC2,CHEMBL2437387,5.61
+NC1=NCc2cc(Cl)ccc2N1,CHEMBL2436555,5.21
+c1cc2c(s1)CCCC2CCNCC1CCCCC1,CHEMBL2436337,8.3
+c1ccc(CCCNCCC2CCCc3sccc32)cc1,CHEMBL2436336,6.88
+c1ccc(CCNCCC2CCCc3sccc32)cc1,CHEMBL2436335,6.9
+c1ccc(CNCCC2CCCc3sccc32)cc1,CHEMBL2436339,7.31
+O=C(CN1CCC(O)(c2ccc(Br)cc2)CC1)c1c[nH]c2ccc(O)cc12,CHEMBL3099053,6.73
+O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c[nH]c2ccc(O)cc12,CHEMBL3099052,6.25
+O=C(CN1CCC(O)(c2ccccc2)CC1)c1c[nH]c2ccc(O)cc12,CHEMBL3099051,5.51
+O=C(CN1CCC(c2ccccc2)CC1)c1c[nH]c2ccc(O)cc12,CHEMBL3099050,5.57
+COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,CHEMBL3099037,7.22
+COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1,CHEMBL3099036,7.11
+COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccccc4)CC3)c2c1,CHEMBL3099035,6.99
+COc1ccc2[nH]cc(C(=O)CN3CCC(c4ccccc4)CC3)c2c1,CHEMBL3099034,5.72
+COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1,CHEMBL502377,7.92
+OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1,CHEMBL3104857,8.11
+OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1,CHEMBL3104856,8.46
+COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1,CHEMBL3218882,7.7
+COc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)cc1,CHEMBL3218883,7.74
+C=CCN1CCN(Cc2ccc(OC)cc2)C[C@@H]1CCO,CHEMBL3219066,5.97
+COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCCO)C2)cc1,CHEMBL3219067,6.73
+COc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCCO)C2)cc1,CHEMBL3219068,6.52
+C=CCN1CCN(Cc2ccc(OC)cc2)C[C@@H]1CCCO,CHEMBL3219069,5.73
+c1ccc(CN2CCC3(CCCc4sccc43)C2)cc1,CHEMBL3220589,7.54
+CCCCN1CCC2(CCCc3sccc32)CC1,CHEMBL3220588,8.2
+c1cc2c(s1)CCCC21CCN(CC2CCCCC2)CC1,CHEMBL3220587,8.37
+c1ccc(CCCN2CCC3(CCCc4sccc43)CC2)cc1,CHEMBL3220586,7.34
+c1ccc(CCN2CCC3(CCCc4sccc43)CC2)cc1,CHEMBL3220585,6.56
+c1ccc(CN2CCC3(CCCc4sccc43)CC2)cc1,CHEMBL3220584,7.98
+O=C1CCc2ccc(OCCCN3CCOCC3)cc2N1Cc1ccccc1,CHEMBL3235433,7.83
+O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1Cc1ccccc1,CHEMBL3235434,7.22
+O=C1CCc2ccc(OCCCCCN3CCOCC3)cc2N1Cc1ccccc1,CHEMBL3235435,7.05
+O=C1CCc2ccc(OCCCCCCN3CCOCC3)cc2N1Cc1ccccc1,CHEMBL3235436,6.17
+O=C1CCc2ccc(OCCCN3CCOCC3)cc2N1CCc1ccccc1,CHEMBL3235437,7.67
+O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1CCc1ccccc1,CHEMBL3235438,7.35
+O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1Cc1ccccc1,CHEMBL3235440,6.1
+O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1Cc1ccccc1,CHEMBL3235441,7.65
+O=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1,CHEMBL3235442,7.15
+O=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1,CHEMBL3235443,6.07
+O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1,CHEMBL3235444,7.4
+O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1,CHEMBL3235445,6.71
+Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1,CHEMBL2170062,7.98
+O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1,CHEMBL3235446,8.74
+CC1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1,CHEMBL3235447,8.96
+O=C1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1,CHEMBL3235448,7.01
+CN1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1,CHEMBL3235449,8.37
+O=C1CCc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2N1Cc1ccccc1,CHEMBL3235450,6.47
+O=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1,CHEMBL3235451,7.62
+CN(C)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2,CHEMBL3235452,7.08
+CCN(CC)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2,CHEMBL3235453,7.4
+Cc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCCCC4)cc32)cc1,CHEMBL3235454,8.77
+O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccc(F)cc1,CHEMBL3235455,8.91
+O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1,CHEMBL3235456,7.05
+CN1C(=O)CCc2ccc(OCCCN3CCCCC3)cc21,CHEMBL3235457,7.46
+Cc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCC(C)CC4)cc32)cc1,CHEMBL3235458,8.83
+CC1CCN(CCCOc2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1,CHEMBL3235459,9.11
+CC1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1,CHEMBL3235460,7.18
+CC1CCN(CCCOc2ccc3c(c2)N(C)C(=O)CC3)CC1,CHEMBL3235461,7.4
+CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1,CHEMBL3233525,6.55
+CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1,CHEMBL3233526,7.34
+OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1,CHEMBL3233527,7.51
+OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1,CHEMBL3233528,8.38
+OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1,CHEMBL3233529,8.72
+OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12,CHEMBL3233530,8.72
+OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12,CHEMBL3233531,9.05
+OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1,CHEMBL3233532,8.33
+COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1,CHEMBL3233533,7.37
+CCCCN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1,CHEMBL3233536,6.33
+CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1,CHEMBL3233537,6.31
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(-c3ccccc3OCCF)nn1)CC2,CHEMBL3262514,4.77
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(-c3cccc(OCCF)c3)nn1)CC2,CHEMBL3262515,4.75
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(-c3ccc(OCCF)cc3)nn1)CC2,CHEMBL3262516,4.33
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(-c3ccccc3OC)nn1)CC2,CHEMBL3262517,4.88
+COc1cccc(-n2cc(C(=O)NCCCCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1,CHEMBL3262518,4.69
+COc1ccc(-n2cc(C(=O)NCCCCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1,CHEMBL3262519,4.41
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn[nH]n1)CC2,CHEMBL3262520,4.96
+COc1ccccc1Cn1cc(C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)nn1,CHEMBL3262521,4.69
+COc1cccc(Cn2cc(C(=O)NCCCCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1,CHEMBL3262522,4.9
+COc1ccc(Cn2cc(C(=O)NCCCCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1,CHEMBL3262523,5.48
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(Cc3ccccc3)nn1)CC2,CHEMBL3262524,5.35
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(Cc3cccc(O)c3)nn1)CC2,CHEMBL3262525,5.09
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(Cc3ccc(O)cc3)nn1)CC2,CHEMBL3262526,4.2
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(Cc3cccc(OCCF)c3)nn1)CC2,CHEMBL3262527,4.33
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cn(Cc3ccc(OCCF)cc3)nn1)CC2,CHEMBL3262528,4.67
+COc1cc2c(cc1OC)CN(CCNC(=O)c1cn(-c3ccccc3OC)nn1)CC2,CHEMBL3262529,4.81
+COc1cccc(-n2cc(C(=O)NCCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1,CHEMBL3262530,4.12
+COc1ccccc1Cn1cc(C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)nn1,CHEMBL3262531,4.73
+COc1cccc(Cn2cc(C(=O)NCCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1,CHEMBL3262532,4.1
+COc1ccc(Cn2cc(C(=O)NCCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1,CHEMBL3262533,4.07
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccc(-c3cn(CCF)nn3)cc1)CC2,CHEMBL3262534,4.14
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccc(-c3cn(CCOCCF)nn3)cc1)CC2,CHEMBL3262535,4.83
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccc(-c3cn(CCOCCOCCF)nn3)cc1)CC2,CHEMBL3262536,4.8
+COc1ccccc1Cn1cc(-c2ccc(C(=O)NCCCCN3CCc4cc(OC)c(OC)cc4C3)cc2)nn1,CHEMBL3262784,5.07
+COc1cccc(Cn2cc(-c3ccc(C(=O)NCCCCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)c1,CHEMBL3262785,4.94
+COc1ccc(Cn2cc(-c3ccc(C(=O)NCCCCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1,CHEMBL3262786,4.9
+COc1cccc(Cn2cc(-c3cccc(C(=O)NCCCCN4CCc5cc(OC)c(OC)cc5C4)c3)nn2)c1,CHEMBL3262787,5.76
+C#CCOc1ccc(C#N)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1,CHEMBL3262788,5.43
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C#N)ccc1OCc1cn(CCF)nn1)CC2,CHEMBL3262789,4.85
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(-n3cc(CN(C)C)nn3)ccc1OC)CC2,CHEMBL3262790,4.65
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(-n3cc(-c4cncn4C)nn3)ccc1OC)CC2,CHEMBL3262791,5.2
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(-n3cc(COCCOCCF)nn3)ccc1OC)CC2,CHEMBL3262792,4.94
+COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(-n3cc(CN(C)C)nn3)ccc1OCCF)CC2,CHEMBL3262793,4.66
+O=[N+]([O-])c1ccc(NCCCCCCCCCCOc2cccc3c2CCCC3CCCN2CCN(C3CCCCC3)CC2)c2nonc12,CHEMBL3259960,6.59
+Nc1ccc2c3c(cccc13)C(=O)N(CCCCCCOc1cccc3c1CCCC3CCCN1CCN(C3CCCCC3)CC1)C2=O,CHEMBL3259961,6.81
+CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1cccc3c1CCCC3CCCN1CCN(C3CCCCC3)CC1)C2=O,CHEMBL3259962,8.27
+CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5c4CCCC5CCCN4CCN(C5CCCCC5)CC4)c4ccccc4C3(C)C)c(=O)oc2c1,CHEMBL3259963,6.63
+COc1cc2c(cc1C(C)NCc1ccccc1)C=CC(C)(C)O2,CHEMBL2435424,7.12
+COc1cc2c(cc1[C@@H](C)NCc1ccccc1)C=CC(C)(C)O2,CHEMBL3298884,6.95
+COc1cc2c(cc1[C@H](C)NCc1ccccc1)C=CC(C)(C)O2,CHEMBL3298885,7.07
+COc1cc2c(cc1C(C)NCCc1ccccc1)C=CC(C)(C)O2,CHEMBL2435425,7.54
+COc1cc2c(cc1C(C)NCCCc1ccccc1)C=CC(C)(C)O2,CHEMBL2435426,7.96
+COc1cc2c(cc1C(C)NCCCCc1ccccc1)C=CC(C)(C)O2,CHEMBL2435427,7.43
+COc1ccc(CNC(C)c2cc3c(cc2OC)OC(C)(C)C=C3)cc1,CHEMBL2435428,6.78
+COc1cc2c(cc1C(C)NC/C=C/c1ccccc1)C=CC(C)(C)O2,CHEMBL2435431,7.08
+COc1cc2c(cc1C(C)N[C@H](C)c1ccccc1)C=CC(C)(C)O2,CHEMBL2435429,6.63
+COc1cc2c(cc1C(C)N[C@@H](C)c1ccccc1)C=CC(C)(C)O2,CHEMBL2435430,6.09
+CCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2,CHEMBL2435432,7.08
+CCCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2,CHEMBL2435433,7.66
+CCN(CC)CCCC(C)NC(C)c1cc2c(cc1OC)OC(C)(C)C=C2,CHEMBL2435434,6.72
+COc1cc2c(cc1C(C)NCC1CCCCC1)C=CC(C)(C)O2,CHEMBL2435435,8.62
+COc1cc2c(cc1C(C)N1CCCC1)C=CC(C)(C)O2,CHEMBL2435437,7.72
+COc1cc2c(cc1C(C)N(C)CCCc1ccccc1)C=CC(C)(C)O2,CHEMBL2435438,9.02
+COc1cc2c(cc1[C@@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2,CHEMBL3298973,8.35
+COc1cc2c(cc1[C@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2,CHEMBL3298974,8.55
+COc1cc2c(cc1C(C)NCc1ccccc1)CCC(C)(C)O2,CHEMBL2435439,6.92
+COc1cc2c(cc1C(C)NCCc1ccccc1)CCC(C)(C)O2,CHEMBL2435440,7.26
+COc1cc2c(cc1C(C)NCCCc1ccccc1)CCC(C)(C)O2,CHEMBL2435441,7.72
+COc1cc2c(cc1C(C)NCCCCc1ccccc1)CCC(C)(C)O2,CHEMBL2435442,6.94
+CCCCNC(C)c1cc2c(cc1OC)OC(C)(C)CC2,CHEMBL2435443,7.37
+Cc1cc(OCCCN2CCC(=O)CC2)nc(-c2ccccc2)n1,CHEMBL3358645,6.5
+Cc1cc(OCCCN2CCC(O)CC2)nc(-c2ccccc2)n1,CHEMBL3358644,6.34
+Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(-c2ccccc2)n1,CHEMBL3358643,6.42
+Cc1cc(OCCCN2CC(C)CC(C)C2)nc(-c2ccccc2)n1,CHEMBL3358642,7.52
+Cc1cc(OCCCN2CCC(C)CC2)nc(-c2ccccc2)n1,CHEMBL3358641,7.78
+Cc1cc(OCCCN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3358634,7.44
+Cc1cc(OCCCCN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3358635,7.02
+Cc1cc(OCCCCCN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3358636,6.41
+Cc1cc(OC/C=C/CN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3358638,6.94
+Cc1cc(OCCOCCN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3358639,6.37
+Cc1cc(OCC(O)CN2CCOCC2)nc(-c2ccccc2)n1,CHEMBL3352879,6.31
+Cc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3358640,7.93
+Cc1nc(C2CC2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359244,7.4
+Cc1nc(C)c(Cl)c(OCCCN2CCCCC2)n1,CHEMBL3359243,7.23
+Cc1ncnc(OCCCN2CCCCC2)c1Cl,CHEMBL3359242,6.73
+Cc1nc(-c2ccc3ccccc3c2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359241,6.99
+Cc1nc(-c2ccc(Cl)c(Cl)c2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359240,7.05
+Cc1nc(-c2ccc(Cl)cc2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359239,8.97
+Cc1nc(-c2ccc(F)c(F)c2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359238,9.01
+Cc1nc(-c2ccc(F)cc2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359237,8.94
+Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359236,8.35
+COc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1,CHEMBL3359235,8.41
+Cc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1,CHEMBL3359234,8.71
+c1ccc(-c2nc3c(c(OCCCN4CCCC4)n2)CCCC3)cc1,CHEMBL3352885,6.95
+c1ccc(-c2nc3c(c(OCCCN4CCCCC4)n2)CCCC3)cc1,CHEMBL3359233,6.86
+c1ccc(-c2nc3c(c(OCCCN4CCCC4)n2)CCC3)cc1,CHEMBL3359232,7.23
+c1ccc(-c2nc3c(c(OCCCN4CCCCC4)n2)CCC3)cc1,CHEMBL3359231,7.35
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1Cl,CHEMBL3359230,8.4
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1F,CHEMBL3359229,8.45
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1C,CHEMBL3359228,7.94
+c1ccc(-c2cc(OCCCN3CCCC3)nc(-c3ccccc3)n2)cc1,CHEMBL3359227,6.13
+c1ccc(-c2nc(OCCCN3CCCC3)cc(C3CC3)n2)cc1,CHEMBL3359226,6.56
+FC(F)(F)c1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3359225,7.56
+COc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3359224,7.71
+CC(C)c1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3359223,6.66
+CCCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3359222,7.41
+CCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3359221,7.65
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1Cl,CHEMBL3359220,8.63
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1F,CHEMBL3359219,8.43
+Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1C,CHEMBL3359218,8.02
+c1ccc(-c2cc(OCCCN3CCCCC3)nc(-c3ccccc3)n2)cc1,CHEMBL3359217,6.02
+c1ccc(-c2nc(OCCCN3CCCCC3)cc(C3CC3)n2)cc1,CHEMBL3359216,6.6
+FC(F)(F)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3359215,7.56
+COc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3359214,7.71
+CC(C)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3359213,6.73
+CCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3359212,7.46
+CCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1,CHEMBL3359211,7.69
+CCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1,CHEMBL3359210,7.41
+CCN(CC)CCCOc1cc(C)nc(-c2ccccc2)n1,CHEMBL3358654,7.33
+Cc1cc(OCCCN(C)C)nc(-c2ccccc2)n1,CHEMBL3358653,7.08
+Cc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1,CHEMBL3358652,7.87
+Cc1cc(OCCCN2CCCN(C)CC2)nc(-c2ccccc2)n1,CHEMBL3358649,7.73
+CCN1CCN(CCCOc2cc(C)nc(-c3ccccc3)n2)CC1,CHEMBL3358648,7.51
+Cc1cc(OCCCN2CCN(C)CC2)nc(-c2ccccc2)n1,CHEMBL3358647,7.64
+Cc1cc(OCCCN2CCNCC2)nc(-c2ccccc2)n1,CHEMBL3358646,6.82
+COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2O,CHEMBL3357783,6.88
+COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2,CHEMBL3357784,7.57
+c1ccc(CNC2CCc3ccccc3CC2)cc1,CHEMBL3357785,6.97
+c1ccc(CCNC2CCc3ccccc3CC2)cc1,CHEMBL3357786,7.66
+c1ccc(CCCNC2CCc3ccccc3CC2)cc1,CHEMBL296601,6.82
+c1ccc(CCCCNC2CCc3ccccc3CC2)cc1,CHEMBL3357787,6.67
+c1ccc(C2CCN(C3CCc4ccccc4CC3)CC2)cc1,CHEMBL3357788,7.66
+c1ccc(N2CCN(C3CCc4ccccc4CC3)CC2)cc1,CHEMBL3357789,6.74
+c1ccc(CC2CCN(C3CCc4ccccc4CC3)CC2)cc1,CHEMBL3357790,8.24
+c1ccc([C@H]2CC[C@@H](NC3CCc4ccccc4CC3)CC2)cc1,CHEMBL3357791,7.85
+c1ccc([C@H]2CC[C@H](NC3CCc4ccccc4CC3)CC2)cc1,CHEMBL3357792,7.7
+Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl,CHEMBL343654,8.66
+COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1,CHEMBL144490,8.89
+COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1,CHEMBL358116,8.85
+COc1ccccc1CCN1CCN(CCCc2ccccc2)CC1,CHEMBL147779,8.41
+c1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCCO4)CC2)cc1,CHEMBL3360027,7.72
+c1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCO4)CC2)cc1,CHEMBL3360026,7.99
+c1ccc(CCCN2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1,CHEMBL3352893,8.59
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1,CHEMBL3360025,7.73
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCc1ccccc1,CHEMBL3360024,7.88
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1,CHEMBL3360023,7.68
+C=CCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC,CHEMBL3360022,7.52
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCBr,CHEMBL3360021,7.6
+CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC,CHEMBL3360020,7.59
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC/C=C\I,CHEMBL3360019,7.97
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC/C=C/I,CHEMBL3360018,7.77
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCF,CHEMBL3360017,8.19
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF,CHEMBL3360016,8.1
+COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O,CHEMBL3359513,8.76
+COc1cccc2c1CCCC2CCC(=O)N1CCC2(CC1)OCc1ccccc12,CHEMBL3354875,6.59
+COc1cccc2c1CCCC2CCC(=O)N1CCC(c2ccc(F)cc2)CC1,CHEMBL3354877,5.53
+COc1cc2c(cc1OC)CN(CCCCc1cn(-c3ccc(F)cc3)c3ccccc13)CC2,CHEMBL3354882,5.86
+COc1cc2c(cc1OC)CN(CCCCn1c3ccccc3c3ccccc31)CC2,CHEMBL3354886,5.66
+CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@H]1CCc2c1ccc(OC)c2OC,CHEMBL3355378,7.29
+CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@@H]1CCc2c1ccc(OC)c2OC,CHEMBL3355377,6.9
+CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)C1CCc2c1ccc(OC)c2OC,CHEMBL3355376,7.23
+COc1ccc2c(c1OC)CC[C@@H]2NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12,CHEMBL3355375,6.91
+COc1ccc2c(c1OC)CC[C@H]2NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12,CHEMBL3355374,6.76
+COc1ccc2c(c1OC)CCC2NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12,CHEMBL3355373,6.67
+CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)c(OC)c1,CHEMBL3352847,7.72
+CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(OC)c1,CHEMBL3355371,8.61
+COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC,CHEMBL3355370,5.57
+COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1,CHEMBL3355369,6.89
+COc1cccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1,CHEMBL3355368,6.26
+COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC,CHEMBL3355367,6.47
+COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1,CHEMBL3355366,7.17
+COc1cccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1,CHEMBL3355365,7.76
+COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC,CHEMBL3355364,6.03
+COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1,CHEMBL3355363,6.37
+COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1,CHEMBL3355362,6.82
+CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C1CCCC2N1CCC(O)C1,CHEMBL3323512,6.09
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21,CHEMBL3299002,5.86
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C2CCCC(N3CCC(O)C3)C21,CHEMBL3323508,6.12
+CCCCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,CHEMBL3323513,6.29
+COc1ccc(CN[C@H]2CCC[C@@H]3[C@@H]2NC(=O)C(=O)N3Cc2ccc(OC)cc2)cc1,CHEMBL3298899,6.43
+O=C1N[C@@H]2[C@@H](NCc3ccc(Cl)cc3)CCC[C@H]2N(Cc2ccc(Cl)cc2)C1=O,CHEMBL3298900,6.27
+COC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL3309608,7.36
+COC1Cc2ccncc2C2(CCN(CC3CCCCC3)CC2)O1,CHEMBL3309265,7.96
+CCCCN1CCC2(CC1)OC(OC)Cc1ccncc12,CHEMBL3309609,6.92
+COC1Cc2ccncc2C2(CCN(CCC(C)C)CC2)O1,CHEMBL3309610,7.64
+COC1Cc2ccncc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL3309611,7.36
+OC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL3309612,6.75
+C1=Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL3309614,8.34
+c1ccc(CN2CCC3(CC2)OCCc2ccncc23)cc1,CHEMBL3309615,7.72
+N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL148289,7.8
+c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1,CHEMBL138083,9.16
+O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129237,8.52
+O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL129159,8.7
+O=C(CCCc1ccccc1)O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3393790,6.64
+O=C(CCCc1ccccc1)O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CHEMBL3393789,7.06
+C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21,CHEMBL1229211,7.15
+O=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL559979,7.89
+O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCc2ccccc2C1,CHEMBL3397626,7.21
+O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1,CHEMBL3397625,8.1
+O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1,CHEMBL3397624,8.06
+O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21,CHEMBL3397623,6.86
+O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21,CHEMBL3397622,8.43
+O=C(C1CCN(Cc2ccccc2)CC1)N1CCCc2ccccc21,CHEMBL3397621,8.34
+CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL3397619,6.2
+CC(C)NC(=O)C1CCN(Cc2ccccc2)CC1,CHEMBL3397618,5.97
+CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1,CHEMBL3397617,6.9
+CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL3397616,7.7
+CCCCCC(C)NC(=O)C1CCN(Cc2ccccc2)CC1,CHEMBL3397612,7.72
+O=C(NC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1,CHEMBL3397614,7.28
+O=C(NC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1,CHEMBL3397613,8.11
+O=C(NC1CCCCC1)C1CCN(Cc2ccccc2)CC1,CHEMBL3397615,7.82
+O=C(c1ccc(OCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL3597315,7.88
+O=C(c1ccc(OCCOCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1,CHEMBL3597316,5.8
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(O)cccc3C[C@H]2O)CC1,CHEMBL3597318,5.06
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3cccc(O)c3C[C@H]2O)CC1,CHEMBL3597319,7.54
+O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(cccc3OCCF)C[C@H]2O)CC1,CHEMBL3597320,6.09
+O=C(c1ccc(F)cc1)c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2,CHEMBL3597324,6.72
+C[C@H](CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3621972,8.74
+C[C@@H](CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3621973,8.72
+CC(O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3621974,8.18
+C[C@@](O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3621975,7.41
+C[C@](O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3621976,8.33
+CN(C)CCC(C)(O)c1ccc2ccccc2c1,CHEMBL3621977,7.11
+CN(C)CC[C@@](C)(O)c1ccc2ccccc2c1,CHEMBL3621978,6.69
+CN(C)CC[C@](C)(O)c1ccc2ccccc2c1,CHEMBL3621979,7.2
+COc1ccc2cc(C(C)(O)CCN(C)C)ccc2c1,CHEMBL597631,7.39
+COc1ccc2cc([C@](C)(O)CCN(C)C)ccc2c1,CHEMBL3621980,7.29
+COc1ccc2cc([C@@](C)(O)CCN(C)C)ccc2c1,CHEMBL3621981,7.6
+CC1N(C)CCC1(O)c1ccc2ccccc2c1,CHEMBL3621982,7.19
+C[C@H]1N(C)CC[C@]1(O)c1ccc2ccccc2c1,CHEMBL3621983,7.07
+C[C@@H]1N(C)CC[C@@]1(O)c1ccc2ccccc2c1,CHEMBL3621984,7.59
+COc1ccc2cc(C3(O)CCN(C)C3C)ccc2c1,CHEMBL3621985,5.72
+COc1ccc2cc([C@@]3(O)CCN(C)[C@@H]3C)ccc2c1,CHEMBL3621986,5.82
+COc1ccc2cc([C@]3(O)CCN(C)[C@H]3C)ccc2c1,CHEMBL3621987,5.92
+NCC1COC(c2ccccc2)(c2ccccc2)CO1,CHEMBL3633391,5.85
+c1ccc(CNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1,CHEMBL3633393,6.81
+c1ccc(CNC[C@H]2COC[C@H](c3ccccc3)O2)cc1,CHEMBL3633394,6.27
+CC[C@]1(c2ccccc2)COC[C@@H](CNCc2ccccc2)O1,CHEMBL3633395,6.27
+CC[C@]1(c2ccccc2)COC[C@H](CNCc2ccccc2)O1,CHEMBL3633396,6.22
+c1ccc(CNC[C@@H]2COC[C@@](c3ccccc3)(C3CCCCC3)O2)cc1,CHEMBL3633397,5.82
+c1ccc(CNC[C@H]2COC[C@@](c3ccccc3)(C3CCCCC3)O2)cc1,CHEMBL3633398,5.57
+c1ccc(CNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3633399,5.31
+c1ccc(CNCCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3633400,6.3
+c1ccc(CNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1,CHEMBL3633401,6.72
+c1ccc(CNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1,CHEMBL3633402,7.43
+c1ccc(CNCC2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL3633403,8.13
+c1ccc(CNCCC2COC(c3ccccc3)(c3ccccc3)CO2)cc1,CHEMBL3633404,6.53
+c1ccc(CNC[C@@H]2CCO[C@H](c3ccccc3)O2)cc1,CHEMBL3633571,6.5
+c1ccc(CNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1,CHEMBL3633572,5.52
+O=[N+]([O-])c1ccc2c(c1)CCC(NCc1ccccc1)CC2,CHEMBL3735173,7.68
+O=[N+]([O-])c1ccc2c(c1)CCC(NCCc1ccccc1)CC2,CHEMBL3735485,7.7
+O=[N+]([O-])c1ccc2c(c1)CCC(NCCCc1ccccc1)CC2,CHEMBL3735947,7.74
+O=[N+]([O-])c1ccc2c(c1)CCC(NCCCCc1ccccc1)CC2,CHEMBL3736502,7.62
+C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL319706,6.9
+Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1,CHEMBL61479,7.98
+CC1CCN(CCCCC2CCCc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc32)CC1,CHEMBL3765740,8.44
+CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc23)CC1,CHEMBL3763396,8.28
+CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1ccc3c(c1)CCCC3CCC(=O)N1CCN(C3CCCCC3)CC1)C2=O,CHEMBL3763740,7.88
+c1ccc(CC2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1,CHEMBL3769801,6.76
+c1ccc(CN2CCN(CC3CSC(c4ccccc4)(c4ccccc4)S3)CC2)cc1,CHEMBL3770871,6.52
+c1ccc(CC2CCN(CC3CSC(c4ccccc4)(c4ccccc4)S3)CC2)cc1,CHEMBL3770762,7.82
+c1ccc(CN2CCN(CC3COC(c4ccccc4)(c4ccccc4)S3)CC2)cc1,CHEMBL3770832,7.2
+c1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)S3)CC2)cc1,CHEMBL3771186,7.92
+c1ccc(CN2CCN(CC3COC(C4CCCCC4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3770532,8.47
+c1ccc(CC2CCN(CC3COC(C4CCCCC4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3769874,6.68
+c1ccc(CN2CCN(C[C@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3769895,8.97
+c1ccc(CC2CCN(C[C@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3769675,7.25
+c1ccc(CN2CCN(C[C@@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3769960,7.51
+c1ccc(CC2CCN(C[C@@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1,CHEMBL3769508,7.28
+c1ccc(CN2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1,CHEMBL3770485,8.77
+c1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1,CHEMBL3770830,8.66
+c1ccc(CN2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL359663,7.8
+c1ccc(CC2CCN(CC3COc4ccccc4O3)CC2)cc1,CHEMBL178700,7.78
+c1ccc(CN2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1,CHEMBL3770072,7.06
+O=C1C(CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3771163,5.95
+O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3770992,6.19
+O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3770151,6.55
+O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3770589,7.45
+O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3769446,6.64
+O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,CHEMBL3771016,7.42
+OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1,CHEMBL3770593,6.7
+OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1,CHEMBL3771017,7.95
+c1ccc(CC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL3770681,7.25
+c1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,CHEMBL3769825,7.69
+c1ccc(CC2CCN(CC3COC4(CCCCC4)O3)CC2)cc1,CHEMBL3769904,8.7
+c1ccc(CN2CCN(CC3COC4(CCCCC4)O3)CC2)cc1,CHEMBL3769930,9.13
+Cc1ccc(-c2csc(C3(O)CCN(Cc4ccccc4)CC3)n2)cc1,CHEMBL3780671,8.42
+Cc1ccc(-c2cnc(C3(O)CCN(Cc4ccccc4)CC3)s2)cc1,CHEMBL3781294,8.15
+OC1(c2nccs2)CCN(Cc2ccccc2)CC1,CHEMBL3781632,7.48
+CC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1,CHEMBL3786998,7.49
+CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1,CHEMBL3785368,7.5
+c1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCC3)cc1,CHEMBL3786461,6.99
+O=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1,CHEMBL3786283,6.72
+CN(C)CCCOc1nc(-c2ccccc2)nc2c1CCC2,CHEMBL3786729,6.92
+CCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCC2,CHEMBL3786813,7.2
+CC1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1,CHEMBL3786776,7.59
+CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1,CHEMBL3787276,7.56
+c1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCCC3)cc1,CHEMBL3787269,6.92
+O=C1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1,CHEMBL3786949,6.78
+CN(C)CCCOc1nc(-c2ccccc2)nc2c1CCCC2,CHEMBL3787434,6.86
+CCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCCC2,CHEMBL3786259,7.18
+CC1CCN(CCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1,CHEMBL3787177,6.62
+CC1CCN(CCCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1,CHEMBL3785416,6.45
+Cc1ccc(-c2nc3c(c(OCCCN4CCC(C)CC4)n2)CCCC3)cc1,CHEMBL3786154,7.62
+CC1CCN(CCCOc2nc(-c3ccc(C(F)(F)F)cc3)nc3c2CCCC3)CC1,CHEMBL3786829,7.53
+CC1CCN(CCCOc2nc(-c3ccc(Cl)cc3)nc3c2CCCC3)CC1,CHEMBL3785238,7.81
+CC1CCN(CCCOc2nc(-c3ccc(Cl)cc3)nc3c2CCC3)CC1,CHEMBL3786384,7.68
+Cn1c(=O)n(C)c2cc3c(cc21)CCCC(NCCCc1ccccc1)C3,CHEMBL3797704,5.4
+O=c1ccc(OCCCN2CCOCC2)nn1-c1ccccc1,CHEMBL3805441,7.18
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccccc1,CHEMBL3805836,7.67
+O=c1c2ccccc2c(OCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL3806303,6.85
+O=c1c2c(c(OCCCN3CCCCC3)nn1-c1ccc(Cl)c(Cl)c1)CCCC2,CHEMBL3805297,6.98
+Cc1c(OCCCN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c(=O)c1C,CHEMBL3805850,7.18
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(F)c3)n2)CC1,CHEMBL3805216,7.82
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(Cl)c3)n2)CC1,CHEMBL3805844,8.0
+CC1CCN(CCCOc2ccc(=O)n(-c3cc(Cl)ccc3Cl)n2)CC1,CHEMBL3805978,7.22
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3Cl)n2)CC1,CHEMBL3805363,7.46
+CC1CCN(CCCOc2ccc(=O)n(-c3cc(Cl)cc(Cl)c3)n2)CC1,CHEMBL3804913,7.37
+CC1CCN(CCCOc2ccc(=O)n(-c3cccc(Cl)c3Cl)n2)CC1,CHEMBL3805912,7.26
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)c(Cl)c3)n2)CC1,CHEMBL3806193,8.3
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1,CHEMBL3805101,8.02
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)cc3)n2)CC1,CHEMBL3805155,7.7
+CC1CCN(CCCOc2ccc(=O)n(-c3ccc4ccccc4c3)n2)CC1,CHEMBL3805750,7.08
+Cc1ccc(-n2nc(OCCCN3CCC(C)CC3)ccc2=O)cc1,CHEMBL3806318,7.21
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1,CHEMBL3805989,8.1
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(Cl)c1,CHEMBL3806153,8.0
+O=c1ccc(OCCCN2CCCCC2)nn1-c1cc(Cl)ccc1Cl,CHEMBL3805053,7.35
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL3805473,7.6
+O=c1ccc(OCCCN2CCCCC2)nn1-c1cc(Cl)cc(Cl)c1,CHEMBL3805113,7.52
+O=c1ccc(OCCCN2CCCCC2)nn1-c1cccc(Cl)c1Cl,CHEMBL3804905,7.32
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,CHEMBL3805396,8.85
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)cc1,CHEMBL3805081,8.01
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)cc1,CHEMBL3805646,7.77
+O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc2ccccc2c1,CHEMBL3806105,7.13
+Cc1ccc(-n2nc(OCCCN3CCCCC3)ccc2=O)cc1,CHEMBL3805783,7.16
+CC1CC(C)CN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)C1,CHEMBL3805296,6.65
+CC1CCN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3805917,6.84
+O=c1ccc(OCCCCN2CCCCC2)nn1-c1ccccc1,CHEMBL3806059,6.91
+CC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C,CHEMBL3805711,7.01
+CCN(CC)CCCOc1ccc(=O)n(-c2ccccc2)n1,CHEMBL3805873,7.02
+CN(C)CCCOc1ccc(=O)n(-c2ccccc2)n1,CHEMBL3805206,6.97
+O=c1ccc(OCCCN2CCCC2)nn1-c1ccccc1,CHEMBL3805341,7.45
+CN1CCCN(CCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3806008,7.52
+CCN1CCN(CCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3805069,7.4
+CN1CCN(CCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3805311,7.5
+O=C1CCN(CCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3805344,6.24
+CC1CC(C)CN(CCCOc2ccc(=O)n(-c3ccccc3)n2)C1,CHEMBL3806181,7.34
+CC1CCN(CCCOc2ccc(=O)n(-c3ccccc3)n2)CC1,CHEMBL3806258,7.55
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,CHEMBL560,8.41
+COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCC(C(C)(C)C)CC3)cc1,CHEMBL3805975,5.03
+CC(C)(C)C1CCC2(CC1)C(=O)N(C1CCCCC1)C(=O)CN2C(=O)c1ccccc1,CHEMBL3805305,5.1
+COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)c(OC)c1,CHEMBL3806283,6.01
+COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)cc1,CHEMBL3806038,5.86
+Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)cc1,CHEMBL3805535,6.4
+O=C1CN(C(=O)c2ccccc2)C2(CCCCC2)C(=O)N1C1CCCCC1,CHEMBL3805661,6.64
+COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1,CHEMBL3804973,6.37
+Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1,CHEMBL3805259,6.72
+O=C1CN(C(=O)c2ccccc2)C2(CCCC2)C(=O)N1C1CCCCC1,CHEMBL3805640,7.1
+COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCN(Cc2ccccc2)CC3)cc1,CHEMBL3805466,8.23
+Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCN(Cc2ccccc2)CC3)cc1,CHEMBL3805219,7.95
+O=C1CN(C(=O)c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCCCC1,CHEMBL3805031,8.14
+c1ccc(CN2CCC3(CC2)N=Nc2ccccc2N3)cc1,CHEMBL3805784,9.22
+O[C@@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819146,8.8
+O[C@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819463,8.22
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3818546,7.96
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3819457,7.96
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3818045,7.64
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccc(-c2ccccc2)cc1,CHEMBL3819588,8.06
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12,CHEMBL3817940,9.3
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12,CHEMBL3819557,7.85
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12,CHEMBL3818112,8.15
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12,CHEMBL3818532,8.1
+O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL3819489,8.24
+O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccccc1,CHEMBL3819331,7.64
+O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819437,8.16
+O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1,CHEMBL3819395,8.32
+COC(=O)CC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL3827149,7.41
+CCCCN1CCC2(CC1)OC(CCO)Cc1ccccc12,CHEMBL3827955,7.22
+CCCCCCCCN1CCC2(CC1)OC(CCO)Cc1ccccc12,CHEMBL3827403,7.59
+OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1,CHEMBL144662,7.7
+OCCC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1,CHEMBL3828326,7.7
+COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCCCC2)O1,CHEMBL3828277,6.29
+COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCC(c3ccccc3)CC2)O1,CHEMBL3827274,6.17
+COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCCCC2)O1,CHEMBL3827235,6.28
+COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCC(c3ccccc3)CC2)O1,CHEMBL3828752,7.42
+OCC[C@@H]1Cc2ccccc2[C@H](CCN2CCC(c3ccccc3)CC2)O1,CHEMBL3827079,7.28
diff --git a/chembl_200/CHEMBL4203.csv b/chembl_200/CHEMBL4203.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d84fb271233008a28f0ecdcd035274bba0a6046f
--- /dev/null
+++ b/chembl_200/CHEMBL4203.csv
@@ -0,0 +1,731 @@
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.2
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,7.1
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.5
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,6.4
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.0
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.7
+COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,CHEMBL124660,6.4
+O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,CHEMBL259084,5.6
+Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1,CHEMBL573339,6.1
+Oc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL278041,5.6
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,7.025
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,7.0
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.7
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.9
+CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc45)nc(N4CCOCC4)c3s2)CC1,CHEMBL521851,6.0
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.6
+O=c1nc[nH]c2c(-c3ccccc3)c(C(F)(F)F)sc12,CHEMBL1982881,5.7
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,7.6
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,6.0
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,7.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,9.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,5.4
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,8.2
+COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N,CHEMBL1999778,5.1
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,8.2
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,6.4
+O=c1[nH][nH]c2cccc(-c3ccccc3)c12,CHEMBL1989834,6.0
+CCCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1987430,6.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.0
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,6.2
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,6.7
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1,CHEMBL1993413,7.6
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,6.0
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,7.1
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,7.8
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,7.4
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,8.3
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.6
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,5.6
+COc1ccccc1C(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1997643,8.4
+Fc1ccc(-c2ccc3nccn3n2)cn1,CHEMBL1967211,6.1
+O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,5.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,7.6
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.7
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.9
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,8.5
+O=C1NCc2c1cccc2-c1cccs1,CHEMBL1991782,5.4
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,5.6
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.6
+Cc1cccc(-c2ccc3c(c2)C(=O)NC3)c1,CHEMBL1968394,6.0
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,8.3
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,6.1
+CCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL2000934,6.6
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,6.7
+Clc1cc2n[nH]nc2cc1Cl,CHEMBL1996923,5.5
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,6.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.6
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.6
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.7
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,7.2
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,7.5
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,8.4
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.6
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,8.2
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,5.5
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,5.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,6.9
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,6.7
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,5.4
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.8
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.7
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.6
+O=c1cc(-c2ccc(F)cc2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004443,6.8
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,7.0
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,5.2
+O=c1[nH]cc(I)c2nc(-c3ccccc3)cn12,CHEMBL2001668,6.3
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,6.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.9
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,6.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,5.8
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,7.7
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.75
+N#Cc1ccc2nc(N)n(-c3nc4c(s3)CCCC4)c2c1,CHEMBL1996345,5.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.9
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.3
+NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4n[nH]cc4c3)on2)C1,CHEMBL1970369,6.4
+O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(Br)c1c2=O,CHEMBL1976158,5.9
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,7.7
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,7.4
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,7.2
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.1
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,7.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.5
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,7.2
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.1
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,5.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,8.3
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,6.5
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,8.3
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,7.6
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,8.4
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,6.4
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,6.0
+O=C(Nc1cccc2n[nH]cc12)NC1CCc2c1cccc2N1CCCC1,CHEMBL399434,6.1
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.9
+O=C1NCc2c(Br)cccc21,CHEMBL1984500,5.2
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.1
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,7.9
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,6.2
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,7.7
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.9
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,7.9
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.3
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.8
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.2
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.9
+COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1OC,CHEMBL1997495,5.8
+CC(=O)Nc1cc2ccccn2n1,CHEMBL1976872,5.3
+Nc1nccc2nc(-c3ccccc3)cn12,CHEMBL2004887,4.1
+Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,4.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.1
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,CHEMBL1971606,7.0
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.7
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,6.7
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,5.3
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,7.1
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,7.0
+CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,CHEMBL1999279,8.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,8.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(OC(F)F)ccc12,CHEMBL1981215,6.9
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,6.2
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,6.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,6.4
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCCC1,CHEMBL2006481,6.1
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.9
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,7.8
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,5.5
+Nc1nnc(-c2ccccc2)c(N)n1,CHEMBL2001378,4.4
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,7.9
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,7.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.0
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,7.1
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.1
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,6.6
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.6
+Cc1ccccc1-c1cccc2nccn12,CHEMBL1980003,4.1
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,6.5
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.9
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.4
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.9
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.5
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,7.1
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.9
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,7.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,6.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.2
+Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,CHEMBL1981511,7.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.4
+O=c1[nH]ccc2cnc(-c3ccccc3)n12,CHEMBL1975911,4.4
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.7
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.7
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,5.9
+O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21,CHEMBL117217,5.1
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,6.8
+Cc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1,CHEMBL1986869,5.6
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.9
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,6.1
+O=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2n1,CHEMBL2002799,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.9
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,8.2
+Cn1c(N)nc2sccc21,CHEMBL1968460,4.7
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,7.3
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.8
+Nc1ncnc2nc3ccccc3n12,CHEMBL1983884,5.1
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.3
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,CHEMBL1966035,5.8
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccc(Br)cc34)[nH]c2c1,CHEMBL1965437,5.9
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,7.1
+CCOC(=O)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1990708,7.6
+Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1,CHEMBL550275,5.6
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.8
+COc1cc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc(OC)c1OC,CHEMBL1982993,5.7
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,5.8
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.6
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,6.7
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,6.1
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.1
+O=C(NCc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1,CHEMBL1970709,6.0
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,7.5
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,9.2
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.0
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,8.3
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.0
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.8
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,7.1
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.2
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,6.1
+O=C(Cc1ccccc1Cl)Nc1ccc2c[nH]nc2c1,CHEMBL1987533,6.4
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.7
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,7.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12,CHEMBL2007603,7.0
+Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21,CHEMBL207400,6.1
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.8
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.3
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,6.3
+Cc1nsc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL2002553,5.8
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,6.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,7.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,5.4
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,8.1
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,6.4
+Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1,CHEMBL1972466,5.6
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,6.5
+CCN(CC)CCNc1ccc(O)c2ccccc12,CHEMBL576113,5.7
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1976093,5.4
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,6.0
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.7
+COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1,CHEMBL1991356,6.6
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,6.0
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,6.7
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,6.3
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.7
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,6.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,6.7
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1995932,8.2
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.1
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.3
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.3
+O=c1cc(Cc2nc3ccccc3[nH]2)[nH]n1-c1ccccc1,CHEMBL3145247,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,6.3
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.2
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,8.1
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,8.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.0
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.4
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.7
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.1
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,6.4
+O=C1CC(c2ccc(Cl)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1990432,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.3
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,5.9
+COc1ccc(CCN(C)C(=O)CCc2ccc(Cl)c(Cl)c2)cc1OC,CHEMBL1998405,5.7
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,8.0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,8.4
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.2
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,5.3
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,7.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.9
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,6.5
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,6.4
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,7.5
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,5.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.0
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,6.6
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,6.8
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,8.1
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.9
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.3
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,6.2
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.7
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,6.0
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,7.1
+O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,CHEMBL226232,8.0
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,7.8
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,6.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,7.8
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.8
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,7.6
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.3
+Cc1csc2nc(N)nn12,CHEMBL1965838,4.5
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.8
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,8.3
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.1
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.6
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,5.8
+COCCn1c(C)c(C)sc1=NC(=O)c1cc(SC)ccc1Cl,CHEMBL1988000,5.3
+Cn1c(N)nc2sc(C(N)=O)cc21,CHEMBL2002802,4.6
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,5.1
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,7.0
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,6.3
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.7
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,6.5
+O=C(NCc1ccc(Cl)cc1)Nc1cccc2n[nH]cc12,CHEMBL1977713,6.1
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,6.2
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.2
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,6.0
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,8.5
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,7.4
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,7.3
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.2
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,7.2
+COCC#Cc1cccc2c1Cc1c-2n[nH]c1-c1cccs1,CHEMBL1985206,6.3
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,5.5
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.2
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,7.7
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,7.6
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.8
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.9
+COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,CHEMBL1997275,6.1
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,7.7
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.5
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,6.8
+Nc1cc(Nc2ccc(O)c(CNC(=O)C(F)(F)F)c2)ncn1,CHEMBL2002418,5.9
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,7.3
+O=C1CC(c2ccccc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1965909,5.4
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.3
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,8.0
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.1
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.7
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,5.0
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,7.8
+O=C(Nc1ccccc1)Nc1ccccc1,CHEMBL354676,5.1
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.3
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.9
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.6
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,6.2
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,5.4
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,9.0
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.3
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,7.0
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.7
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.7
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.7
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,8.6
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,6.4
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,5.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.8
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,9.2
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,8.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.7
+C(=Cc1cncc(OCCc2c[nH]c3ccccc23)c1)c1ccncc1,CHEMBL1996282,6.0
+O=C1CC(c2ccc(F)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21,CHEMBL1975815,5.2
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,7.6
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.1
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.0
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,6.1
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.5
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,7.7
+COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1,CHEMBL1979176,7.8
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,8.6
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)ccc12,CHEMBL1985232,5.6
+CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,CHEMBL1978014,6.6
+CCOCC(C)Oc1cccc2n[nH]c(N)c12,CHEMBL2002736,6.4
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,8.3
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,6.3
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,6.4
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.3
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.1
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,7.0
+OCCNc1cc2cc(-c3ccccc3)ccc2cn1,CHEMBL1989957,5.7
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,6.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12,CHEMBL1980540,5.9
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,7.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.1
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,8.3
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.1
+CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL86066,5.6
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.9
+CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL1986186,5.7
+O=c1[nH]c2ccc(Br)cc2n1-c1cc(Cl)c(O)cc1O,CHEMBL1996473,5.5
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.1
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,7.2
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,7.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.0
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.7
+CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,CHEMBL406845,6.0
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,6.5
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,6.4
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.9
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,6.0
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,8.0
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,5.5
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,6.4
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,8.0
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,6.0
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.9
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,7.9
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.2
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,5.5
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,7.4
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,7.2
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.3
+NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,CHEMBL1971951,8.5
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,7.3
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.3
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,6.9
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,6.3
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,7.9
+N#Cc1cnc(Cl)nc1N,CHEMBL1980853,4.3
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.3
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.2
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.7
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,6.2
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.3
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.1
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.8
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,7.1
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,8.3
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,6.2
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.2
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,8.0
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.8
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,9.0
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.9
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.6
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,6.6
+Nc1nonc1-n1cc(CO)nn1,CHEMBL1991251,4.2
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,8.0
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,5.9
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,7.3
+Cc1[nH]c(=O)oc(=O)c1-c1ccccc1,CHEMBL1971785,4.7
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.0
+Nc1nnc2sc3ccccc3n12,CHEMBL2001704,4.5
+COc1ccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)cc1,CHEMBL1992536,7.1
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,7.1
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,6.5
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.6
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,6.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.4
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,5.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,7.6
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.5
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.5
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,8.2
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,7.6
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.6
+O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1,CHEMBL2005352,5.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,7.9
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,8.1
+CN(C)c1ccc(N)c2ccccc12,CHEMBL1998253,6.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,CHEMBL1981744,5.9
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.1
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.5
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.9
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,7.6
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,7.2
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,6.5
+N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1,CHEMBL1999718,6.5
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,6.7
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.2
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,8.2
+CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1979773,8.3
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,5.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,7.1
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,8.0
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,6.3
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.8
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,7.5
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.4
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.2
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.7
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,6.4
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.8
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,6.5
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,7.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.6
+COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2006299,7.2
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,8.7
+Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1,CHEMBL1965169,7.0
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,6.4
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.1
+N#Cc1cnn2c(-c3ccccc3)ccnc12,CHEMBL1393571,5.0
+O=c1cc(-c2cccc(F)c2)[nH]c2c(-c3ccc(F)cc3)cnn12,CHEMBL2004156,6.8
+c1ccc(CSc2nnc(-c3ccncc3)[nH]2)cc1,CHEMBL1968926,5.1
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,6.3
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,5.3
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.3
+Clc1ccc2c(c1)nnc1nnnn12,CHEMBL1986503,5.6
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.6
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,7.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,7.1
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.4
+CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005387,8.3
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.0
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,8.4
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,6.2
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,7.2
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.1
+Clc1cc2nnc(-c3ccccc3)n2cn1,CHEMBL1998228,4.2
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,8.0
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.2
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,7.1
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,5.8
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,8.8
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,7.1
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,7.1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,8.5
+Nc1nnc2cccc(Cl)n12,CHEMBL1966799,4.2
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,7.0
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.2
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,6.3
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.7
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,7.2
+c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1,CHEMBL1980163,5.3
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,5.6
+CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,CHEMBL2005899,5.8
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,6.4
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,8.0
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,6.5
+CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Cl)cc1,CHEMBL2004601,5.6
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,7.2
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.4
+NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL1972583,5.4
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,5.8
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,9.0
+Cc1[nH]nc2c1C(c1ccccc1Br)C(C#N)C(=N)O2,CHEMBL2005214,5.3
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.2
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,5.0
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,7.2
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,5.8
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,5.5
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.7
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.5
+O=C1CN2C(=NN1)COc1ccccc12,CHEMBL1968515,5.4
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,6.2
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,6.6
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,6.5
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,8.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,5.2
+O=C(NCCCCCCNC(=O)NCc1cccnc1)NCc1cccnc1,CHEMBL2003420,5.8
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.3
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,6.1
+COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL31,5.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,6.1
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,7.1
+Brc1ccc2cnc(Nc3ccncn3)cc2c1,CHEMBL1984686,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.8
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,7.5
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,8.0
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,6.1
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.7
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.0
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,6.1
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,6.6
+O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,6.5
+Nc1ncnc2sccc12,CHEMBL1972934,5.8
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1,CHEMBL2007559,6.8
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,8.2
+COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1,CHEMBL1972937,5.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.6
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL2001477,6.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,7.1
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.9
+CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,CHEMBL1984402,5.1
+Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL316264,5.4
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.8
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.2
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,7.5
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,7.9
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,6.1
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.9
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.1
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,7.6
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.7
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,7.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.9
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.1
+CC(C)(O)c1c(-c2ccccc2)n[nH]c(=O)c1N,CHEMBL2003952,4.5
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,7.2
+CC(=O)c1cccc(-c2cnc3ccccc3c2)c1,CHEMBL2007336,5.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,5.1
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.6
+O=C(O)c1cnc2sccn2c1=O,CHEMBL1971679,4.4
+Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,CHEMBL1980592,5.9
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.5
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,6.1
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.3
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.5
+CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL2007375,7.1
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.1
+CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCCO)c1,CHEMBL1973016,6.5
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.5
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,7.1
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,6.5
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,6.3
+O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,CHEMBL2003637,8.0
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.9
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,5.6
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,7.7
+O=c1oc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL1968646,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.3
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,8.3
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.6
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.4
+CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,CHEMBL52387,6.3
+Cc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O,CHEMBL379835,5.6
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,6.0
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.0
+CCc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1986756,7.2
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,5.5
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.2
+C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1996339,8.4
+CN(c1ccccc1CNc1nc(N)nc2[nH]ccc12)S(C)(=O)=O,CHEMBL1970006,5.9
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,6.7
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.7
+Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL2006785,6.3
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,7.7
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,8.9
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.6
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,6.2
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.9
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.9
+C(=Cc1ccc2nccn2n1)c1ccccc1,CHEMBL1988622,5.4
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,8.8
+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,7.1
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.6
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.8
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,6.5
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,8.5
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,6.5
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,5.2
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,5.6
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.4
+O=C1NCc2ccc(-c3ccccc3)cc21,CHEMBL1973795,5.8
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.4
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,7.4
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,7.5
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,7.2
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,5.9
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,5.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,8.0
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,6.3
+Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,CHEMBL1976290,5.6
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.3
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO,CHEMBL1236126,6.1
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.8
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.4
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,6.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,8.0
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.9
+O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1,CHEMBL1972489,6.8
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.8
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,8.0
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,5.9
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,8.2
+O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,5.7
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.2
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,5.1
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,7.7
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.3
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,7.5
+O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1,CHEMBL1970950,5.3
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.4
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,6.0
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,6.6
+CS(=O)(=O)Nc1ccc(Nc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1988872,6.3
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.5
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.1
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.9
+O=c1[nH]nc2c(-c3ccccc3)cccn12,CHEMBL2002182,5.0
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.3
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,8.0
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,6.1
+O=c1c2c([nH]c3cc(-c4ccco4)nn13)CSC2,CHEMBL1972152,5.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,7.6
+CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,CHEMBL2006674,6.3
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.9
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,8.4
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,6.8
+O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,7.0
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,8.7
+CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1,CHEMBL1993374,5.7
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,6.8
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.8
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.2
+O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,6.2
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,6.5
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.9
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.5
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.4
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,6.1
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,7.1
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.5
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.5
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,8.4
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.3
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,7.4
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.7
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.8
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.7
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.2
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,8.3
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.2
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,8.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,6.0
+NC(=O)c1csc2c1NCCC2=O,CHEMBL1973399,5.3
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.7
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,6.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.5
+c1ccc(C2CCc3[nH]ncc32)cc1,CHEMBL1965683,4.9
+Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CHEMBL1968606,5.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.6
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,6.5
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.0
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.2
diff --git a/chembl_200/CHEMBL4225.csv b/chembl_200/CHEMBL4225.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4ab501646206b95e20c67b8239e4d2ddb4c5070b
--- /dev/null
+++ b/chembl_200/CHEMBL4225.csv
@@ -0,0 +1,451 @@
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.2
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,5.5
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.1
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.2
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.0
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.6
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.4
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,6.9
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.4
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.8
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.3
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.1
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,6.6
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.3
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.8
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,5.1
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.3
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.2
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.4
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.3
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.4
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.75
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.1
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,8.2
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.3
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.3
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.2
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.4
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,5.5
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.3
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.5
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.8
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.1
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,5.2
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,6.1
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.6
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,5.7
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,6.2
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.6
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.6
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.3
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.5
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.2
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,8.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.2
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.7
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.5
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,7.6
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,5.7
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,5.5
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.9
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.7
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,7.9
+CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,CHEMBL2007479,5.6
+CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Cl)cc1,CHEMBL2004601,5.8
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.5
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.6
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,8.1
+Cc1[nH]nc2c1C(c1ccccc1Br)C(C#N)C(=N)O2,CHEMBL2005214,5.5
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.6
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,6.9
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,5.4
+O=C(NCCCCCCNC(=O)NCc1cccnc1)NCc1cccnc1,CHEMBL2003420,5.1
+COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CHEMBL31,5.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.4
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.1
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,6.2
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,6.8
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,8.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.5
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.5
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,6.4
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,5.3
+Nc1ncnc2sccc12,CHEMBL1972934,4.3
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.6
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.0
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.4
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.0
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,5.2
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.1
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,5.2
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,6.1
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.1
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,7.2
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,5.6
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.4
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.9
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.0
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.5
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.8
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,6.3
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1,CHEMBL2005375,5.7
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.2
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,5.9
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.1
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.5
+CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL2007375,5.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.2
+CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCCO)c1,CHEMBL1973016,5.7
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.0
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.7
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,5.5
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.4
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,7.7
+CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,CHEMBL52387,6.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.9
+CN(c1ccccc1CNc1nc(N)nc2[nH]ccc12)S(C)(=O)=O,CHEMBL1970006,5.5
+CN(C)CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL41783,6.5
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.1
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.7
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,7.4
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.8
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,8.1
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.6
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.6
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,8.0
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.8
+N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,CHEMBL1968868,6.5
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.0
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.9
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,7.8
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,5.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.8
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.6
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,6.2
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,5.9
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,5.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,7.2
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.3
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO,CHEMBL1236126,5.5
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.8
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,6.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,6.9
+O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1,CHEMBL1972489,5.3
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.2
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,6.6
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.3
+O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,5.1
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.2
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,7.0
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,6.6
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.1
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.4
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,5.7
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,7.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,6.2
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,6.0
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.9
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.7
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,7.1
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,6.6
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,7.2
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.5
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,6.9
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.7
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.8
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.7
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,6.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,5.2
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.8
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.5
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.0
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.4
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,6.1
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.3
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.5
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.0
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.6
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.7
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,5.6
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.2
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.8
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,7.5
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.5
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.4
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,9.1
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.9
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,8.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.4
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.2
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,6.0
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,6.3
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.3
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,8.3
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.5
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,7.5
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.2
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,6.3
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,6.1
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.4
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,7.0
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.5
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,6.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.3
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,5.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.2
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.6
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,5.8
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.4
+Cn1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O,CHEMBL2001584,6.2
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,5.5
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,7.6
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,5.1
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.7
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.8
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,5.7
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,5.9
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.0
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,6.6
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,5.7
+O=c1[nH]cc(I)c2nc(-c3ccccc3)cn12,CHEMBL2001668,6.0
+Cc1[nH]nc2c1C(c1ccccc1I)C(C#N)C(=N)O2,CHEMBL1979318,5.3
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,5.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.4
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,6.9
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,7.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.5
+NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4n[nH]cc4c3)on2)C1,CHEMBL1970369,5.2
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,7.5
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,5.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.5
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.7
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.1
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.5
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,6.1
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,8.3
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,5.7
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,7.1
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.2
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.6
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.0
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.4
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,5.3
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.3
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,6.0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,7.4
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.9
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.3
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.1
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.2
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.6
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,5.1
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.5
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.9
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.8
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.3
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,7.0
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.3
+N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL1967992,5.5
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,5.3
+CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2006450,5.8
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,6.6
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.7
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.2
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.3
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,7.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.3
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,5.3
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,6.9
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.7
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,5.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.8
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.9
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.0
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,6.7
+Nc1ncnc2nc3ccccc3n12,CHEMBL1983884,4.4
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.6
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,5.6
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,6.0
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.4
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.7
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.6
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.5
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.5
+O=C(Cc1ccccc1Cl)Nc1ccc2c[nH]nc2c1,CHEMBL1987533,5.4
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,7.7
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,8.3
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.3
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,7.0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12,CHEMBL2007603,5.5
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,6.2
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.7
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,7.3
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.5
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.5
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.5
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.1
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.7
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.5
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.2
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.4
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,7.0
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.8
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.1
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.3
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.9
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,7.0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.6
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,6.3
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.9
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,5.2
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.5
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,5.3
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.7
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.5
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.4
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,5.2
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.3
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,6.6
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.7
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.3
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.0
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.3
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,7.0
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,6.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.4
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.5
+COCCn1c(C)c(C)sc1=NC(=O)c1cc(SC)ccc1Cl,CHEMBL1988000,5.2
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.2
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.3
+Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,6.3
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.2
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,7.0
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.2
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.1
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.4
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.8
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.4
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,5.5
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.3
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.2
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.9
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,6.3
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.4
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.3
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,8.6
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,5.6
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.8
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.0
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.1
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.4
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,6.3
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.2
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.5
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,7.8
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,7.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.8
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,6.7
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.9
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.7
+COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1,CHEMBL1979176,5.7
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,7.5
+CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,CHEMBL1978014,5.4
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.5
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,6.1
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.2
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.5
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.8
+CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21,CHEMBL86066,5.8
+O=c1[nH]c2ccc(Br)cc2n1-c1cc(Cl)c(O)cc1O,CHEMBL1996473,5.2
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.3
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,CHEMBL1870106,6.0
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,7.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.0
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.9
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.2
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.4
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.9
+Cn1ccc2c(-c3ccccc3F)nc(N(C(N)=O)c3c(F)cccc3F)nc21,CHEMBL1981723,5.1
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,4.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.7
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,8.0
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.8
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.9
+Cc1[nH]nc2c1C(c1ccccc1F)C(C#N)C(=N)O2,CHEMBL1985507,5.1
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,6.7
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,6.3
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.2
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.6
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.0
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.2
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,7.6
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.7
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.1
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.8
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.1
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,8.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+c1ccc(C2CCc3[nH]ncc3C2)cc1,CHEMBL2000879,4.1
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.4
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,6.6
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,6.6
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.4
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.8
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.1
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.5
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.9
diff --git a/chembl_200/CHEMBL4308.csv b/chembl_200/CHEMBL4308.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f00a7119aa52cc4d0876cb7f32697e04b19ac1d7
--- /dev/null
+++ b/chembl_200/CHEMBL4308.csv
@@ -0,0 +1,540 @@
+CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL1744084,8.88
+CCCN1C(=O)[C@@H](NC(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL1788318,5.99
+CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21,CHEMBL1253497,9.23
+CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCC(N(C)C)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL52498,7.55
+CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL1744082,8.24
+CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21,CHEMBL1744083,8.86
+CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2)N=C(c2ccc(C)cc2)c2ccccc21,CHEMBL1744085,7.87
+CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL299164,7.07
+O=C(CCCN1C(=O)CN=C(C2CCCCC2)c2ccccc21)Nc1ccc(N2CCC(N3CCCCC3)CC2)cc1,CHEMBL30525,6.85
+CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCC(c4ccncc4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21,CHEMBL50208,7.26
+CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21,CHEMBL298860,7.01
+N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O)C1Cc2ccccc2C1,CHEMBL3085458,10.64
+N=C(N)NCCC[C@@H](NC(=O)C(N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O,CHEMBL412824,9.66
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O,CHEMBL80472,6.42
+N=C(N)NCCC[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C(=O)O,CHEMBL2369828,7.62
+N=C(N)NCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O)C1Cc2ccccc2C1,CHEMBL3142391,10.46
+N=C(N)NCCCC(N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O)C1Cc2ccccc2C1,CHEMBL216618,8.25
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O,CHEMBL2369827,9.05
+N=C(N)NCCCC(N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O,CHEMBL408846,7.08
+N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc3ccccc3N(CC(=O)O)C1=O)CN2CCc1ccccc1,CHEMBL3142392,7.62
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1,CHEMBL359553,10.7
+COC(=O)C1=C(c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)CCCC1,CHEMBL182331,7.46
+COC(=O)C1=C(c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)CCC1,CHEMBL360260,6.9
+COC(=O)c1ccccc1N1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1,CHEMBL182785,7.89
+COC(=O)c1ccccc1N1CC=C(CNc2nccc(C)c2NC(=O)CC#N)CC1,CHEMBL182177,6.89
+COC(=O)C1CCCCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL182275,8.66
+Cc1noc([C@H]2CC=CC[C@@H]2c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)n1,CHEMBL181961,8.7
+COC(=O)C1C2CCC(C2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL183562,6.14
+COC(=O)c1ccccc1N1CCC(C)(CNc2nccc(C)c2NC(=O)CC#N)CC1,CHEMBL183538,5.46
+COC(=O)c1ccccc1C1=CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1,CHEMBL369307,7.6
+COC(=O)c1ccccc1C1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1,CHEMBL181899,6.41
+COC(=O)c1cccn1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL360500,6.6
+COC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL181968,7.96
+COC(=O)C1C2CCC(CC2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL183876,7.27
+CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,CHEMBL185068,5.52
+CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,CHEMBL181098,6.64
+CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1,CHEMBL434341,6.6
+CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c2)CC1,CHEMBL366294,8.0
+CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,CHEMBL180143,6.85
+CC(=O)c1cc(S(=O)(=O)NCCC(=O)N(CCCN(C)C)CCCN(C)C)ccc1NCC(c1ccccc1)c1ccccc1,CHEMBL365009,6.89
+CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(C(=O)N2CCOCC2)c1,CHEMBL185551,8.0
+CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c(C(=O)N3CCOCC3)c2)CC1,CHEMBL183048,9.0
+CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NCC(c4ccccc4)c4ccccc4)c(C(=O)N4CCOCC4)c3)CC2)CC1,CHEMBL273869,8.05
+CC(C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NCC(c4ccccc4)c4ccccc4)c(C(=O)N4CCOCC4)c3)CC2)CC1,CHEMBL181695,8.0
+CCCCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1,CHEMBL197462,6.7
+CCCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1,CHEMBL195617,7.06
+COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)C(C)C)cc1,CHEMBL370704,6.64
+CCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1,CHEMBL193819,6.92
+COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CN(C)C)cc1,CHEMBL364670,5.89
+COCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1,CHEMBL194018,6.41
+COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CS(C)(=O)=O)cc1,CHEMBL364073,7.4
+COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1,CHEMBL195883,7.927
+COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC#N)cc1,CHEMBL196698,7.96
+CNC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1,CHEMBL362974,7.48
+COC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC(F)(F)F)cc1,CHEMBL2113085,8.15
+COC(=O)c1ccccc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC(F)(F)F)cc1,CHEMBL2113087,8.74
+Cc1ccnc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c1NC(=O)CC#N,CHEMBL193684,7.94
+COC(=O)c1ccccc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL2113091,8.59
+CNC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC(F)(F)F)cc1,CHEMBL196494,7.96
+CNC(=O)c1ccccc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC(F)(F)F)cc1,CHEMBL196352,8.22
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(-n2ccnc2)cc1,CHEMBL189245,8.96
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(-n2cnnc2)cc1,CHEMBL188617,8.43
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(-c2ncc[nH]2)cc1,CHEMBL185811,10.15
+O=C(C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1,CHEMBL160547,11.0
+CN1CCN=C1c1ccc(CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Cl)cc3N2S(=O)(=O)c2ccc3ccccc3c2)cc1,CHEMBL185693,10.7
+O=C(C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(-c2ncc[nH]2)cc1,CHEMBL185727,10.15
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)cc1,CHEMBL201041,8.74
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1,CHEMBL202090,7.59
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CC2)cc1,CHEMBL202089,7.2
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CCC2)cc1,CHEMBL381009,6.92
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CCCC2)cc1,CHEMBL201210,6.34
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CCCCC2)cc1,CHEMBL201107,6.12
+COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)cc1,CHEMBL201310,5.8
+COC(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)CC(F)(F)F)cc1,CHEMBL202463,4.28
+COC(=O)c1ccccc1-c1ccc(CNC(=O)C(C)(C)NC(=O)CC(F)(F)F)cc1,CHEMBL201717,5.46
+CC(C)(C)NCc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1,CHEMBL381366,7.64
+COC(=O)c1c(F)cccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)c(F)c1,CHEMBL208371,9.15
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(c4cccnc4)CC3)cn2)c(F)c1,CHEMBL424868,8.46
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c(F)c1,CHEMBL208210,7.21
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cn2)c(F)c1,CHEMBL426681,7.59
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC4CCCC4)CC3)cn2)c(F)c1,CHEMBL380679,8.77
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC4CCC4)CC3)cn2)c(F)c1,CHEMBL206519,8.47
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC4CC4)CC3)cn2)c(F)c1,CHEMBL207022,9.07
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cn2)c(F)c1,CHEMBL380920,8.55
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCCC4)CC3)cn2)c(F)c1,CHEMBL204356,8.82
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCC4)CC3)cn2)c(F)c1,CHEMBL204562,8.54
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cn2)c(F)c1,CHEMBL382909,7.28
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC(F)F)CC3)cn2)c(F)c1,CHEMBL206975,7.55
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CCF)CC3)cn2)c(F)c1,CHEMBL382228,8.28
+C#CCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL207000,7.6
+C=CCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL208006,8.4
+C=CCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL208241,8.1
+C/C=C/CN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL207800,8.48
+CCC(C)N1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL208991,8.82
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CCC(C)C)CC3)cn2)c(F)c1,CHEMBL207913,8.02
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC(C)C)CC3)cn2)c(F)c1,CHEMBL381974,8.82
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)c(F)c1,CHEMBL437704,8.66
+CCCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL208320,8.85
+CCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL207378,8.77
+CCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1,CHEMBL207377,8.47
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCNCC3)cn2)c(F)c1,CHEMBL207122,8.26
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(=O)OC)CC3)cn2)c(F)c1,CHEMBL383089,7.47
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2)c(F)c1,CHEMBL206982,7.64
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn2)c(F)c1,CHEMBL206935,7.77
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cn2)c(F)c1,CHEMBL380834,6.67
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C)CC3)cn2)c(F)c1,CHEMBL207937,8.36
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCOCC3)cn2)c(F)c1,CHEMBL207178,7.1
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCCCC3)cn2)c(F)c1,CHEMBL207539,7.15
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(CN3CCOCC3)cn2)c(F)c1,CHEMBL207922,6.74
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(CN3CCCCC3)cn2)c(F)c1,CHEMBL208248,8.04
+COC(=O)c1c(F)cccc1-c1ccc(CNc2cc(C(=O)N3CCN(C)CC3)ccn2)c(F)c1,CHEMBL208247,6.05
+COC(=O)c1c(F)cccc1-c1ccc(CNc2cc(C(=O)N3CCOCC3)ccn2)c(F)c1,CHEMBL208086,5.68
+COC(=O)c1c(Cl)cccc1-c1ccc(CNc2cc(CN3CCCCC3)ccn2)c(F)c1,CHEMBL377440,6.21
+COC(=O)c1c(F)cccc1-c1ccc(CNc2ccccn2)c(F)c1,CHEMBL208538,6.09
+CCC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL222159,8.71
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)Cl)CC2)c(F)c1,CHEMBL218552,8.55
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)(F)Cl)CC2)c(F)c1,CHEMBL218267,8.6
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(C)(Cl)Cl)CC2)c(F)c1,CHEMBL219164,6.92
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(Cl)Cl)CC2)c(F)c1,CHEMBL424919,9.27
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(C)=O)CC2)c(F)c1,CHEMBL387331,7.94
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)F)CC2)c(F)c1,CHEMBL384893,7.87
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL413775,8.825
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(F)(F)C(F)(F)F)CC2)c(F)c1,CHEMBL219309,8.53
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1,CHEMBL219083,9.09
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)Cl)CC2)c(F)c1,CHEMBL220371,9.09
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(C)=O)CC2)c(F)c1,CHEMBL221288,9.03
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)F)CC2)c(F)c1,CHEMBL414962,9.4
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL374580,9.24
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)C(F)(F)F)CC2)c(F)c1,CHEMBL373803,8.985
+COC(=O)c1c(F)cccc1-c1ccc([C@H](C)NC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1,CHEMBL2096845,7.66
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1,CHEMBL373530,9.89
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1F,CHEMBL221695,8.84
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnnn2C)cc1F,CHEMBL220978,7.2
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(Cl)c2-c2nnn(C)n2)cc1F,CHEMBL426561,9.18
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F,CHEMBL220657,9.22
+Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)n1,CHEMBL218605,9.29
+CCOC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL218553,8.87
+COC(=O)c1ccccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL218319,7.99
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc21,CHEMBL441188,8.8
+C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(CN2CCCCC2)cc1,CHEMBL221925,7.77
+CN1c2cc(CN3CCCCC3)ccc2[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CS1(=O)=O,CHEMBL373654,8.89
+CN1c2cc(CN3CCCCC3)ccc2[C@H](NC(=O)C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CS1(=O)=O,CHEMBL412552,7.8
+O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL385741,5.72
+O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL415849,6.84
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL385740,7.77
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL415848,9.13
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL415629,7.51
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL218152,9.62
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1,CHEMBL426165,6.88
+O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1,CHEMBL221691,6.42
+COC(=O)c1ccc(C)cc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC#N)cc1,CHEMBL225133,8.92
+C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C#N)cc1,CHEMBL374779,8.7
+C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1,CHEMBL225006,8.96
+C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnnn2C)cc1,CHEMBL221984,8.22
+C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1,CHEMBL387638,9.3
+Cc1nc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)no1,CHEMBL225218,9.15
+Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)n1,CHEMBL222038,9.3
+COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1,CHEMBL225607,9.4
+COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1,CHEMBL221998,9.15
+COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1,CHEMBL375288,9.1
+COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,CHEMBL227655,8.17
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,CHEMBL390311,8.3
+O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL227713,9.4
+O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21,CHEMBL227600,8.26
+O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CNC3CCC3)ccc21,CHEMBL227977,8.0
+CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1,CHEMBL389478,8.23
+CC(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1,CHEMBL425490,8.33
+COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1,CHEMBL227870,7.85
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1,CHEMBL389477,6.92
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1,CHEMBL389249,8.32
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1,CHEMBL387982,7.69
+Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc21)c1ccccc1,CHEMBL390603,7.39
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1,CHEMBL388720,7.6
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1,CHEMBL442056,6.9
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL227786,8.12
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1,CHEMBL413786,7.61
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,CHEMBL389054,7.11
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL227778,7.75
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1,CHEMBL227697,6.44
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,CHEMBL228030,6.88
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1,CHEMBL2113274,7.56
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1,CHEMBL375709,6.41
+CC1CCCC(C)N1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL390540,7.87
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc21,CHEMBL412762,8.43
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21,CHEMBL390539,8.24
+CN(C)Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL427279,7.07
+O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc21,CHEMBL268911,7.66
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL227879,8.27
+CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL227721,8.3
+CC(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL227690,8.08
+CCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL224071,8.05
+CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL228014,6.86
+NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,CHEMBL227828,6.51
+COC(=O)C1(c2ccccc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL233873,5.78
+N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1,CHEMBL234097,9.22
+N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234096,9.4
+N#CC1(c2ccccc2OC(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL233887,8.44
+N#CC1(c2ccccc2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL233886,8.43
+N#CC1(c2cccc(Cl)c2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234720,8.31
+N#CC1(c2ccc(Cl)c(Cl)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234514,7.52
+N#CC1(c2cccc(F)c2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL388031,8.7
+COC(=O)c1cccc(C2(C#N)CCC(CNc3ncccc3NC(=O)CC(F)(F)F)CC2)c1,CHEMBL234513,7.31
+N#CC1(c2cccc(C(F)(F)F)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234512,7.61
+N#CC1(c2ccc(F)cc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234297,7.22
+N#CC1(c2cccc(F)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL388030,8.43
+N#CC1(c2ccccc2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL234296,7.74
+N#CC1(c2ccccc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL388029,7.85
+O=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1,CHEMBL232237,6.32
+COC1(c2ccccc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,CHEMBL389094,5.84
+COC(=O)[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccccc1,CHEMBL243467,7.14
+O=C(Nc1[nH]nc(C(=O)NCCc2ccncc2)c1Br)c1ccccc1Cl,CHEMBL243667,6.92
+O=C(Nc1[nH]nc(C(=O)Nc2ccccc2)c1Br)c1ccccc1Cl,CHEMBL397037,6.7
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2-c2nnn(C)n2)cc1F,CHEMBL429074,8.42
+CCOC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL232946,8.74
+CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL232945,8.92
+COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL232750,8.59
+COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL392551,9.11
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL232354,8.96
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2-c2nnn(C)n2)cc1F,CHEMBL391227,8.8
+Cc1nc(-c2c(Cl)cc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1,CHEMBL232933,8.62
+CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL392903,8.73
+COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL231734,9.17
+COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL233968,9.37
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)ccc2-c2nnn(C)n2)cc1F,CHEMBL233764,8.84
+Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1,CHEMBL233351,8.86
+Cc1noc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)n1,CHEMBL233350,8.12
+COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL391491,8.69
+COC(=O)c1cc(Cl)ccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL233150,6.87
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(O)CC2)c(F)c1,CHEMBL428954,7.23
+C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1Cl,CHEMBL271283,9.37
+C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL258324,9.23
+Cc1noc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)n1,CHEMBL258326,9.18
+Cc1noc(-c2c(Cl)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)n1,CHEMBL257729,9.1
+COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1,CHEMBL256671,9.46
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c(F)c1,CHEMBL404246,6.24
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1,CHEMBL402114,7.61
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(C)C)c(F)c1,CHEMBL272791,7.08
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)c(F)c1,CHEMBL272491,7.05
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)C)c(F)c1,CHEMBL269948,7.15
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](O)C(F)(F)F)c(F)c1,CHEMBL273156,6.32
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(F)(F)F)c(F)c1,CHEMBL269949,6.96
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](C)O)c(F)c1,CHEMBL403519,5.98
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](C)O)c(F)c1,CHEMBL270017,6.18
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c(F)c1,CHEMBL257016,7.02
+CCC(O)(CC)C(=O)NCc1ccc(-c2cccc(F)c2C(=O)OC)cc1F,CHEMBL256793,5.96
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(C)(C)O)c(F)c1,CHEMBL428601,6.9
+COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)CO)c(F)c1,CHEMBL257053,6.29
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)(F)F)cc1F,CHEMBL436854,8.74
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OC(CF)CF)cc1F,CHEMBL404705,9.05
+CC(C)Oc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL255325,8.64
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL272278,9.7
+CCOc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL404328,8.89
+CCOc1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL404683,9.05
+C[C@@H](NC(=O)C1(NC(=O)c2cc(Cl)no2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL410281,9.7
+CCOc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)on1,CHEMBL404280,8.96
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)on1,CHEMBL404484,9.3
+C[C@@H](NC(=O)C1(NC(=O)c2ccno2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL255997,9.4
+C[C@@H](NC(=O)C1(NC(=O)c2cc(C3CC3)on2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL403434,8.59
+CCc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1,CHEMBL256903,8.72
+Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1,CHEMBL402630,8.85
+C[C@@H](NC(=O)C1(NC(=O)c2ccon2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL401619,8.92
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL403202,8.82
+COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cc(OC)no3)CC2)c(F)c1,CHEMBL404370,9.4
+CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)c3ccno3)CC2)c(F)c1,CHEMBL270173,9.22
+CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,CHEMBL269963,8.82
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL471371,7.35
+O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)OCC1CCCO1,CHEMBL454085,9.15
+O=C(NCC1CCCO1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL487621,7.82
+COCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL487620,7.62
+O=C(NCCCN1CCOCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL487876,8.68
+O=C(NCCCN1CCCC(F)(F)C1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL486052,8.25
+O=C(NCCCN1CCCC(F)C1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL488662,8.92
+O=C(NCCCN1CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL487445,9.6
+CNCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL1203967,7.72
+CN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL519247,6.67
+CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL487263,6.66
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)nc2)cc1,CHEMBL488626,7.37
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1,CHEMBL530549,7.62
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccncc2)cc1,CHEMBL488461,6.37
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccnc2)cc1,CHEMBL500312,7.14
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccn2)cc1,CHEMBL469875,6.69
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(F)c2F)cc1,CHEMBL469675,7.55
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)c(F)c2)cc1,CHEMBL470487,6.48
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2F)cc1,CHEMBL470486,7.25
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(Cl)cc2)cc1,CHEMBL472303,7.15
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(Cl)c2)cc1,CHEMBL470693,6.97
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2)cc1,CHEMBL516783,7.64
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(F)c2)cc1,CHEMBL460046,7.19
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2F)cc1,CHEMBL460045,6.6
+C[C@@H](NC(=O)C1(O)CCCC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL521735,9.32
+C[C@@H](NC(=O)C1(O)CCSC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL496530,9.41
+C[C@@H](NC(=O)C1(O)CCS(=O)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL521454,8.8
+C[C@@H](NC(=O)C1(O)CCS(=O)(=O)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL482829,9.16
+C[C@@H](NC(=O)C1(O)CCC(=O)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL484881,9.17
+CC(NC(=O)C1(O)CCC(F)(F)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL484882,9.085
+C[C@@H](NC(=O)C1(O)CCOCC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL483858,9.02
+C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL484055,9.39
+C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F,CHEMBL496529,9.1
+Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1,CHEMBL498394,7.17
+COc1cc2c(cc1OC)C(CC(=O)NCCc1ccc(C3=NCCN3)cc1)N(S(=O)(=O)c1ccc(C)cc1)CC2,CHEMBL443900,5.7
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2cc(CO)ccc21,CHEMBL498488,7.07
+O=Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL498489,7.24
+Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL447870,9.62
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL502140,9.72
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1,CHEMBL525092,8.74
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL504531,10.0
+O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21,CHEMBL450541,9.82
+CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL508043,8.96
+CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL444431,9.36
+CC(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL452331,9.15
+CN(C)Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL504119,8.77
+CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL503847,8.92
+NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL496459,8.59
+COc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL498679,6.3
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(Cl)c1Cl,CHEMBL488501,7.9
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL507168,7.77
+CC(C)(C)c1ccc(S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL486456,7.8
+Cc1ccc(S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL452057,6.86
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(Cl)c1,CHEMBL508632,7.26
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL455643,7.32
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1,CHEMBL455642,8.39
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccccc1C(F)(F)F,CHEMBL453596,7.36
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccccc1,CHEMBL453340,6.25
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1,CHEMBL453339,8.77
+CO[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL453338,6.77
+CO[C@@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)CS(=O)(=O)c1ccc2ccccc2c1,CHEMBL487823,8.19
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@H](O)CCS(=O)(=O)c1ccc2ccccc2c1,CHEMBL486641,7.63
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)[C@@H](O)CCS(=O)(=O)c1ccc2ccccc2c1,CHEMBL486640,7.72
+O=C(C[C@@H](O)CS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL488677,7.0
+O=C(C[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL530554,7.38
+O=C(CCCS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL488512,7.22
+O=C(CC(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL449789,8.82
+CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21,CHEMBL299832,9.23
+CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1,CHEMBL499999,6.95
+COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C,CHEMBL507546,6.58
+COc1ccccc1CCNC(=O)CN(CCOc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL468492,6.68
+O=C(O)CCNC(=O)CN(CCOc1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL468493,6.39
+O=C(O)CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL459532,5.96
+COCCCNC(=O)CN(CCOc1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL480203,5.92
+O=C(O)CCNC(=O)CN(CCOc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL518616,5.8
+CNC(=O)CN(CCOc1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL480204,5.66
+O=C(O)CCNC(=O)CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL482173,4.89
+CC(CN1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210741,7.47
+O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)N[C@@H]1CCCc2cc(C3(CN4CCCCC4)CC3)ccc21,CHEMBL1210742,7.85
+C=C(CN1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210743,8.48
+C=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210744,9.15
+C=C(CN1CC[C@H](O)C1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210745,8.46
+C=C(CN1CC[C@@H](O)C1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210746,7.92
+C=C(CN1CCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210747,7.92
+C=C(CN(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210748,7.11
+C=C(CNCCO)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210749,7.68
+C=C(CNCCOC)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210750,7.38
+C=C(CNCC1CC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210751,7.8
+C=C(CNC(C)(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210752,7.96
+C=C(CNC(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210753,8.34
+C=C(CNC1CCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210754,8.47
+C=C(CNC1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1,CHEMBL1210755,7.52
+COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1,CHEMBL1254771,9.49
+O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2,CHEMBL1254945,9.59
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777879,9.77
+CS(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777880,6.28
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777881,8.92
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777882,9.39
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777883,9.22
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777884,9.68
+Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777885,9.52
+COc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777886,9.26
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777887,9.34
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777954,9.82
+Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1C(F)(F)F,CHEMBL1777955,9.92
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1sc(Cl)cc1Br)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777956,10.0
+O=C(CC1C(=O)NCCN1S(=O)(=O)c1cc2cc(Cl)ccc2s1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777957,10.0
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777958,9.867
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777959,7.5
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777960,8.28
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777961,6.27
+Cc1ccc(S(=O)(=O)N2CC(C)(C)NC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777962,7.75
+Cc1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777963,6.35
+Cc1ccc(S(=O)(=O)N2CCNC(=O)C2(C)CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777964,6.14
+Cc1ccc(S(=O)(=O)N2CC(=O)NCC2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777965,8.29
+O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777966,9.3
+O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1777967,9.52
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1777968,9.74
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCC(C)CC4)ccc32)cc1,CHEMBL1777969,9.96
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCC(C)(C)C4)ccc32)cc1,CHEMBL1777970,8.7
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCOCC4)ccc32)cc1,CHEMBL1777971,8.52
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCN(C)CC4)ccc32)cc1,CHEMBL1777972,8.62
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN)ccc32)cc1,CHEMBL1777973,7.22
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CC4)ccc32)cc1,CHEMBL1777974,8.96
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CCCC4)ccc32)cc1,CHEMBL1777975,9.28
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC(C)(C)C)ccc32)cc1,CHEMBL1777976,8.39
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNCC4CC4)ccc32)cc1,CHEMBL1777977,9.66
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNCC(C)C)ccc32)cc1,CHEMBL1777978,9.54
+Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNCC(C)(C)C)ccc32)cc1,CHEMBL1777979,8.8
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cn2)c(=O)c2c(Cl)cccc12,CHEMBL1834619,9.52
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cn2)c(=O)c2c(F)ccc(F)c12,CHEMBL1834751,9.22
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cn2)c(=O)c2c(F)cccc12,CHEMBL1834752,9.22
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12,CHEMBL1834616,9.05
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(F)cccc12,CHEMBL1834614,8.72
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCOc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12,CHEMBL1834750,8.6
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)nc2)c(=O)c2c(Cl)cccc12,CHEMBL1834620,8.51
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(F)ccc(F)c12,CHEMBL1834615,8.46
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccc(Cl)cc12,CHEMBL1834618,8.33
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2csc3ccccc3c2=O)cc1,CHEMBL1835761,7.74
+CCc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12,CHEMBL1835767,7.54
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12,CHEMBL1835763,7.46
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-n2ncc3ccccc3c2=O)cc1,CHEMBL1835766,7.28
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3ccccc3c2=O)c1,CHEMBL1835756,7.19
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2cccnc12,CHEMBL1834749,7.16
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-n2nc(C(F)(F)F)c3ccccc3c2=O)cc1,CHEMBL1835769,7.01
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2csc3ccccc3c2=O)c1,CHEMBL1835760,6.8
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3ccccc3c2=O)cc1,CHEMBL1835757,6.74
+Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2cc(Cl)ccc12,CHEMBL1834617,6.7
+CC(C)c1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12,CHEMBL1835768,6.67
+O=C(Cc1ccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1)c1ccccc1,CHEMBL1835753,6.53
+O=C(Cc1cccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)c1)c1ccccc1,CHEMBL1835755,6.51
+Cn1cc(-c2cccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)c2)c(=O)c2ccccc21,CHEMBL1835758,6.48
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)cc1,CHEMBL1834613,6.38
+O=C(Cc1ccccc1)c1cccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)c1,CHEMBL1835754,6.25
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-n2cnc3ccccc3c2=O)cc1,CHEMBL1835765,6.21
+O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21,CHEMBL1835752,5.77
+Cc1nn(-c2cccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)c2)c(=O)c2ccccc12,CHEMBL1835762,5.2
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3cccc(Cl)c3c2=O)cc1,CHEMBL1934260,8.4
+Cc1cccc2occ(-c3ccc(C(=O)N[C@H]4CCCc5cc(CN6CCCCC6)ccc54)cc3)c(=O)c12,CHEMBL1934265,7.82
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3cc(Cl)ccc3c2=O)cc1,CHEMBL1934262,7.38
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3cccc(F)c3c2=O)cc1,CHEMBL1934264,7.77
+Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12,CHEMBL1934253,7.37
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3cccc(Cl)c3c2=O)c1,CHEMBL1934254,7.54
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3ccccc3c2=O)cc1,CHEMBL1934259,6.74
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3ccc(F)cc3c2=O)c1,CHEMBL1934256,6.4
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3c(Cl)cccc3c2=O)cc1,CHEMBL1934263,6.32
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3c(Cl)cccc3c2=O)c1,CHEMBL1934258,6.49
+O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3ccc(Cl)cc3c2=O)c1,CHEMBL1934255,6.12
+O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc21)c1ccc(-c2coc3ccc(Cl)cc3c2=O)cc1,CHEMBL1934261,5.79
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNCC(C)(C)C)ccc32)cc1,CHEMBL1939760,9.32
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CC4)ccc32)cc1,CHEMBL1939759,9.25
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCC4)ccc32)cc1,CHEMBL1939758,9.71
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN(C)C)ccc32)cc1,CHEMBL1939757,8.9
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN)ccc32)cc1,CHEMBL1939756,8.79
+Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1,CHEMBL1939755,10.35
+COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2CC(=O)N[C@H]1CC[C@H](CCN2CCCC2)CC1,CHEMBL2018874,8.05
+COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2CC(=O)NCCc1ccc(C2=NCCN2)cc1,CHEMBL2018873,8.77
+O=C(CC1c2cc(F)cc(F)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1,CHEMBL2018872,8.04
+O=C(CC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1,CHEMBL2018871,8.92
+COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1,CHEMBL2018870,7.81
+Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1,CHEMBL2018869,8.33
+Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1C,CHEMBL2018868,8.54
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+CN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL2087417,7.07
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+Cc1c(Cl)ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(=O)N(CCCCN)CC2CCNCC2)c1Cl,CHEMBL2087030,7.0
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+Cc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2CCNCC2)c1Cl,CHEMBL2087028,5.64
+Cc1ccc2cccc(OCc3cc(S(=O)(=O)N4CCC[C@H]4C(=O)NCC4CCNCC4)ccc3Cl)c2n1,CHEMBL2087027,5.64
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+COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)COC2)c(F)c1,CHEMBL3657615,8.8
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+Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)on1,CHEMBL3657617,8.29
+C[C@@H](NC(=O)C1(NC(=O)c2ccno2)COC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL3657618,8.33
+C[C@@H](NC(=O)C1(NC(=O)c2cncnc2)COC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL3657619,8.59
+COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3ccno3)COC2)c(F)c1,CHEMBL3657620,9.1
+COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cc(C)no3)COC2)c(F)c1,CHEMBL3657621,9.0
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+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)cn1,CHEMBL3657623,8.96
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4snnc4C)COC3)c(F)c2)no1,CHEMBL3657624,8.8
+COCC(=O)NC1(C(=O)N[C@H](C)c2ncc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)COC1,CHEMBL3657625,7.6
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)on1,CHEMBL3657626,8.52
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4nnc(C)o4)COC3)c(F)c2)no1,CHEMBL3657627,8.29
+Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1,CHEMBL3657628,8.8
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)COC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL3639564,8.37
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)COC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,CHEMBL3657629,8.77
+Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1,CHEMBL3657630,9.0
+Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)on1,CHEMBL3657631,8.92
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4ccnnc4)COC3)c(F)c2)no1,CHEMBL3657632,9.0
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4nccn4C)COC3)c(F)c2)no1,CHEMBL3657633,6.3
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cn(C)cn4)COC3)c(F)c2)no1,CHEMBL3657634,7.08
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cncc(N)c4)COC3)c(F)c2)no1,CHEMBL3657635,8.85
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cccnn4)COC3)c(F)c2)no1,CHEMBL3657636,7.85
+Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cccnc4)COC3)c(F)c2)no1,CHEMBL3657637,8.89
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)cn1,CHEMBL3657638,9.22
+C[C@@H](NC(=O)C1(NC(=O)c2ccno2)COC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL3657639,8.64
+C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)COC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,CHEMBL3657640,7.7
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1,CHEMBL3657641,8.66
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)cn1,CHEMBL3657642,8.48
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1,CHEMBL3657643,8.92
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)on1,CHEMBL3657644,8.46
+Cc1nnc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)o1,CHEMBL3657645,8.37
+Cc1nnc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)o1,CHEMBL3657646,8.06
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)cn1,CHEMBL3657647,8.96
+Cc1nnsc1C(=O)NC1(C(=O)N[C@H](C)c2ncc(-c3cc(Cl)cc(Cl)c3OCC(F)F)cc2F)COC1,CHEMBL3657648,8.15
+COCC(=O)NC1(C(=O)N[C@H](C)c2ncc(-c3cc(Cl)cc(Cl)c3OCC(F)F)cc2F)COC1,CHEMBL3657649,6.92
+COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1,CHEMBL3657650,8.85
+COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1,CHEMBL3657651,8.96
diff --git a/chembl_200/CHEMBL4354.csv b/chembl_200/CHEMBL4354.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c7955fe79983e39db187e39e3cc8326a05fde812
--- /dev/null
+++ b/chembl_200/CHEMBL4354.csv
@@ -0,0 +1,593 @@
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+C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO,CHEMBL38874,8.98
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+CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,CHEMBL596,8.07
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+C[C@@H](c1ccccc1)[C@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1,CHEMBL2371081,8.52
+Oc1ccc2c3c1O[C@H]1Cc4c([nH]c5ccccc45)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL418105,8.31
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL39192,7.182
+CCOC(=O)C1(c2ccccc2)CCN(C)CC1,CHEMBL607,6.35
+CC1Oc2c(O)cccc2C12CCN(C)CC2,CHEMBL50098,6.91
+CCC1Oc2c(O)cccc2C12CCN(C)CC2,CHEMBL431156,6.99
+CN1CCC2(CC1)COc1c(O)cccc12,CHEMBL297281,5.78
+COc1cccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL606644,9.15
+COc1cccc2c1[C@]13CCN(CCc4ccccc4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL545208,9.05
+COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,CHEMBL1628270,7.63
+O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473362,10.15
+COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL473136,9.4
+Cc1ccc(/C=C/C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)cc1,CHEMBL297756,9.64
+O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL417535,9.7
+O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL296693,10.0
+CC1(C)SSC[C@H](NC(=O)[C@@]2(N)Cc3ccc(O)cc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL136515,6.08
+CC1(C)SSC[C@H](NC(=O)[C@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL337265,6.64
+CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,CHEMBL423903,6.74
+CC1(C)SSC[C@H](NC(=O)[C@@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2111933,6.51
+CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL343342,6.96
+CC1(C)SSC[C@H](NC(=O)[C@@H]2NCC[C@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2111935,5.35
+CC1(C)SSC[C@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2111934,5.0
+CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL336657,6.14
+CN1CC[C@]2(c3cccc(O)c3)Cc3ccccc3C[C@]2(C)C1,CHEMBL324681,6.92
+C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CCN(CCc1ccccc1)C2,CHEMBL107398,8.0
+CN1CC[C@]23c4cccc(O)c4O[C@H]2C(=O)CC[C@H]3C1,CHEMBL324418,8.11
+O=C1CC[C@@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106910,7.72
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL80,8.995
+COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL321289,7.12
+Oc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL319236,8.85
+O=C1CC[C@H]2CN(CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13,CHEMBL106027,9.6
+COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@@]231,CHEMBL106085,7.54
+Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213,CHEMBL104042,9.24
+Oc1cccc2c1O[C@H]1[C@H](O)CC[C@@H]3CN(CC4CC4)CC[C@@]231,CHEMBL323281,8.41
+CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL285410,7.14
+NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL286585,7.34
+N=C(N)NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3C1(CCN2CC1CC1)[C@H]4O5,CHEMBL287750,7.3
+O=C(NCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)C1=C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5)OCc1ccccc1,CHEMBL284522,7.15
+NCC(=O)NCC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5,CHEMBL285052,7.18
+N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,CHEMBL485576,4.55
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)[C@H]1C5,CHEMBL399708,7.97
+Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL346165,8.38
+N=C(N)Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL348011,8.21
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610261,8.11
+Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610262,8.04
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,CHEMBL437242,8.15
+CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC,CHEMBL415410,8.76
+CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1,CHEMBL441939,9.07
+CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL410611,9.0
+CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL266035,8.48
+CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC,CHEMBL412325,8.35
+CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL266845,8.9
+CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O,CHEMBL263031,8.55
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL296282,8.6
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C#N)cc13,CHEMBL296304,7.7
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCCF)CC3,CHEMBL295237,7.7
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,CHEMBL592,9.68
+CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL432120,7.68
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(C[C@@H]1CCCO1)CC3,CHEMBL301804,9.42
+NCc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL298688,8.07
+CC(C)=CCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL295402,7.72
+N#Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL48157,7.43
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL300033,10.23
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL49143,8.43
+COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@H](NCC3)C2=O,CHEMBL297467,6.96
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48241,8.48
+C#CCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL298571,6.72
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL299220,8.89
+O=C(O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL299189,7.55
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13,CHEMBL297292,10.14
+C#CCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC#C)CC3,CHEMBL300023,6.15
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,CHEMBL49269,10.097
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13,CHEMBL48420,8.1
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(CN)cc13,CHEMBL49318,7.18
+NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL433272,10.0
+COCCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13,CHEMBL432873,7.05
+N#Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL46320,5.66
+O=C(Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3)c1ccccc1,CHEMBL49106,8.36
+O=C1c2ccc(OCC3CCC3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL298446,6.1
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCc1ccccc1)CC3,CHEMBL48390,9.2
+Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3,CHEMBL300877,7.64
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CCF)CC3,CHEMBL48816,6.25
+O=C1c2ccc(-c3nn[nH]n3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,CHEMBL48974,6.64
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1NCC3,CHEMBL48936,7.7
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CC1)CC3,CHEMBL298027,6.62
+Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL301160,9.827
+O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(Cc1ccc2ccccc2c1)CC3,CHEMBL47488,5.66
+CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(-c2nn[nH]n2)cc13,CHEMBL299132,6.42
+c1cc2c(cc1-c1nn[nH]n1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,CHEMBL296328,5.96
+CCC[C@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169580,9.3
+CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169584,9.0
+CCO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)[C@@H]3C5,CHEMBL2113670,9.3
+CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4C12CCN(C)C3C5,CHEMBL1169585,8.82
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL22054,5.0
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL317956,6.17
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL21603,5.53
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL283802,5.55
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL283330,5.0
+CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,CHEMBL21361,6.38
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL341529,8.33
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL124015,7.16
+CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccsc1,CHEMBL169703,8.71
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1,CHEMBL127969,8.19
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F,CHEMBL126282,7.21
+CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127463,8.65
+CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1ccc(F)cc1,CHEMBL127968,7.27
+Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL610001,7.74
+Oc1ccc2c3c1O[C@H]1C4=C(C[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)C(c1ccccc1)C1=C(O4)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,CHEMBL610002,7.54
+CC(C)C[C@@H](CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)CCc1ccc(O)cc1,CHEMBL149611,6.4
+CC1CN(C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CCC1(C)c1cccc(O)c1,CHEMBL359088,6.63
+CC1CN(C[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)cc2)CCC1(C)c1cccc(O)c1,CHEMBL148843,8.02
+CCC(C)[C@@H](CN1CCC(C)(c2cccc(O)c2)C(C)C1)NC(=O)CCc1ccc(O)cc1,CHEMBL151243,6.38
+CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL354548,5.54
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL544960,6.15
+CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL535133,4.74
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL559217,5.46
+Cc1cc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2N2CCCCCC2)cc(C)c1Cl,CHEMBL556957,6.34
+C=CCN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL539582,6.68
+CN(CCc1cccs1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL536937,7.09
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL537169,6.09
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL557426,6.85
+CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL537616,5.71
+CN(C(=O)COc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL556547,5.4
+CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL536939,6.46
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL535801,6.14
+CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL558979,7.59
+CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12,CHEMBL537165,6.72
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCCC1,CHEMBL538309,6.06
+CN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCC1,CHEMBL537615,5.1
+CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL541619,6.21
+CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCCC1,CHEMBL538308,5.62
+CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCCC1,CHEMBL534684,5.7
+CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCCC1,CHEMBL535581,5.44
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL607321,7.95
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL60377,7.28
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL607320,7.72
+CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL607322,8.26
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL294134,7.66
+CN1c2ccccc2C(c2ccccc2F)=NCC1CCNC(=O)c1ccsc1,CHEMBL127828,8.71
+Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4,CHEMBL610005,6.72
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL407076,8.08
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370861,6.74
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL386618,7.4
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL408360,8.92
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL406899,8.21
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL408024,8.82
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL412364,7.12
+CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)CCCNC1=O,CHEMBL412413,8.49
+CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)CNC1=O,CHEMBL264481,8.36
+CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL414921,7.21
+CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)CCNC1=O,CHEMBL263366,8.32
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370832,6.49
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370887,7.0
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370877,6.04
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL2370831,6.68
+N=C1NC([C@]2(N)CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)=N[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL299772,9.01
+CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3C23CCN(C)C(C4)C13,CHEMBL297839,6.25
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@H]3[C@H]1C5,CHEMBL607396,6.69
+CN1CC[C@]23c4c5ccc(NCc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL332927,7.48
+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2367918,8.74
+CN(C)c1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119332,6.62
+CN1CC[C@]23c4c5ccc(Nc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL333965,7.23
+CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL119692,7.2
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1,CHEMBL1907787,6.2
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1,CHEMBL1907788,6.54
+NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL56695,8.72
+CN1CC[C@]23c4c5ccc(C(N)=O)c4OC2C(O)C=C[C@H]3[C@H]1C5,CHEMBL47512,7.47
+CN(C)C(=O)c1ccc2c3c1OC1C(O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL50386,5.24
+CNC(=O)c1ccc2c3c1OC1C(O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL49029,6.36
+CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1,CHEMBL297428,9.39
+C[C@H]1C2Cc3ccc(N(C)Cc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293951,7.25
+CNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL291751,7.89
+C[C@H]1C2Cc3ccc(N4CCN(C)CC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55392,7.68
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL3085528,9.49
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CN2CC1CC1,CHEMBL2021605,6.44
+C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56165,8.05
+C[C@H]1C2Cc3ccc(N4CCOCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55248,6.19
+C[C@H]1C2Cc3ccc(N4CCCC4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL55948,6.11
+CCNc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55851,8.29
+CC(C)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL55434,6.62
+O=C1c2ccc(O)cc2C23CCCCC2C1N(CC1CCCO1)CC3,CHEMBL1202427,9.42
+C[C@H]1C2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CCCO1,CHEMBL280958,5.54
+Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,CHEMBL2113675,11.0
+O=C1c2ccc(O)cc2C23CCCCC2C1N(CC1CC1)CC3,CHEMBL1202425,6.62
+C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168409,7.74
+C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422563,9.19
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(Nc4ccccc4)cc31)[C@@H]2C,CHEMBL352965,8.0
+COc1ccc(CNc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL168913,8.11
+C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc14,CHEMBL352365,7.66
+C[C@H]1C2Cc3ccc(N=C(c4ccccc4)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL354322,6.44
+C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2368317,7.85
+C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2368318,8.55
+COc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL169536,9.33
+C[C@H]1C2Cc3ccc(Nc4ccc(C(F)(F)F)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169670,7.89
+C[C@H]1C2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL354172,8.48
+COc1cccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)c1,CHEMBL169345,8.74
+C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2368320,6.11
+C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422567,8.38
+C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL2367604,9.745
+Cc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)C(C3)[C@@H]2C)cc1,CHEMBL355403,9.04
+C[C@H]1C2Cc3ccc(Nc4ccc(N(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL440196,7.15
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL169030,8.52
+C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL353938,8.06
+C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,CHEMBL170384,7.74
+COc1ccccc1Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL353303,8.07
+C[C@H]1C2Cc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL352827,7.74
+C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL168392,8.08
+C[C@H]1C2C(=O)c3ccc(N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL422560,8.44
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccco1,CHEMBL328236,9.27
+COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL90667,9.96
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(F)(F)F,CHEMBL314294,8.64
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CC1CCCCC1,CHEMBL329453,7.74
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccccc1,CHEMBL92349,7.68
+N#CCCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL327935,9.8
+CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL420995,9.27
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccccc1,CHEMBL430833,9.37
+CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL90463,9.59
+C=CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL328269,9.47
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1ccco1,CHEMBL91231,9.55
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C\I,CHEMBL2114257,9.38
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1ccco1,CHEMBL327490,8.38
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCCF,CHEMBL419511,9.74
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCC(O)c1cccs1,CHEMBL90305,8.39
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCc1ccccc1,CHEMBL327576,9.92
+O=C(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13)c1cccs1,CHEMBL327885,9.57
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1ccccc1,CHEMBL96785,7.7
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CCOc1ccccc1,CHEMBL92774,9.04
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1CC1CCCC1,CHEMBL327309,9.02
+Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCCC23CCN1Cc1cccs1,CHEMBL329020,8.82
+N#CCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc13,CHEMBL93731,9.48
+COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13,CHEMBL607048,5.96
+O=C1/C(=C\c2ccc(-c3ccccc3)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162048,6.68
+O=C1/C(=C\c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL162267,7.96
+O=C1/C(=C\c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL101519,7.48
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+CC(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C\c2ccc4ccccc4c2)C[C@@]3(O)[C@H]1C5,CHEMBL165410,7.29
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+O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL252172,7.59
+O=C1/C(=C/c2cccc3ccccc23)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL434867,7.44
+CCO[C@@]12CCC(=O)CC13CCN(CC1CC1)C2Cc1ccc(O)c(OC)c13,CHEMBL317269,8.85
+C=CCN1CCC23CC(=O)CC[C@@]2(OC)C1Cc1ccc(O)c(OC)c13,CHEMBL317030,8.14
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL105665,8.21
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,CHEMBL47029,7.23
+Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL477154,7.702999999999999
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL606872,6.98
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(F)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610015,8.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,CHEMBL401093,6.33
+CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(=O)O,CHEMBL2372782,6.24
+COc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,CHEMBL610526,7.8
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c(F)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610529,7.31
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c(Br)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610009,7.54
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4-c4ccccc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL609744,7.55
+Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL100940,7.72
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCCC1,CHEMBL131328,5.32
+CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL339552,5.52
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCC1,CHEMBL128444,5.73
+CCCCC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,CHEMBL72786,8.46
+CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL543329,6.06
+CN(C(=O)Cc1cccc2occc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL539246,5.9
+NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5,CHEMBL19982,9.32
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)C(=O)OC,CHEMBL3144356,8.64
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5)C(=O)O,CHEMBL1202433,9.12
+CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC,CHEMBL1791447,6.47
+CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3C)[C@H]1O5)C(=O)O,CHEMBL1202430,7.83
+CN1CCC23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)C1C5,CHEMBL1202432,7.84
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)OC,CHEMBL3144355,7.81
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL308813,7.01
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(N)c1,CHEMBL542149,8.12
+CC(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL558596,8.08
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(N)c1,CHEMBL558597,5.86
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL307919,6.75
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1,CHEMBL310636,5.92
+CC(=O)Nc1cccc([C@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1,CHEMBL542403,5.98
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350133,7.36
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+O=C(CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350138,8.64
+O=C(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350137,8.8
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350135,7.74
+O=C(CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350129,8.77
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350134,7.64
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350127,7.3
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,CHEMBL3350139,7.2
+O=C(CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL3350130,8.82
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350136,8.0
+CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL610018,8.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,CHEMBL3350132,7.85
+CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]2CC[C@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@H]1C5,CHEMBL3350140,7.66
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(=O)O)c1,CHEMBL344885,6.55
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(=O)O)c1,CHEMBL138547,6.34
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL37158,6.86
+CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC(C)(C)[C@@H](C(=O)O)NC2=O)cc1,CHEMBL290968,5.0
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL290005,6.79
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL36845,5.46
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL173874,7.04
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368421,7.73
+CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL174263,6.17
+CCCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL172493,7.79
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCF)C(C2)N(CC2CC2)CCC314,CHEMBL353930,6.67
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL368600,6.9
+CCn1c2c(c3ccccc31)C[C@@]1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)[C@H]2O5,CHEMBL367497,7.66
+CCCSCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL172529,8.09
+O=CN[C@@]12Cc3c(n(CCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367962,7.49
+O=CN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL176537,7.44
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCCF)C[C@@]3(O)C1C5,CHEMBL173749,7.15
+CCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(OC)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL367290,5.28
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCF)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL368522,7.78
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(NCCCF)C(C2)N(CC2CC2)CCC314,CHEMBL173319,5.29
+O=CN[C@@]12Cc3c(n(CCCF)c4ccccc34)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5,CHEMBL170399,7.68
+CN1CCC23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2CCF)C[C@@]3(O)C1C5,CHEMBL435898,7.52
+COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(N)C(C2)N(CC2CC2)CCC314,CHEMBL177194,4.83
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL157313,7.2
+C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293103,6.13
+CNC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL157301,7.62
+C[C@H]1C2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL58646,9.39
+C[C@H]1C2Cc3ccc(C(=O)N(C)C)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL346813,5.52
+COC(=O)c1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL160924,7.35
+C[C@H]1C2Cc3ccc(C#N)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL154255,6.27
+C[C@H]1C2Cc3ccc(C(=O)O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL160677,7.24
+C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL2368218,9.77
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,CHEMBL60869,8.92
+CCCCOc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(OC)CCC(=O)C3,CHEMBL322195,7.96
+COc1c(O)ccc2c1C13CCN(CC4CC4)C(C2)[C@]1(O)CCC(=O)C3,CHEMBL104310,7.26
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2C,CHEMBL133815,7.67
+C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2CCc1ccccc1,CHEMBL334898,9.47
+O=C1c2ccc(O)c3c2C24CCN(CC5CC5)C1[C@]2(O)CCC(=O)[C@@H]4O3,CHEMBL366520,7.51
+O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)C4Cc5ccc(O)c6c5C2(CCN4CC2CC2)[C@H]3O6)c1,CHEMBL282518,7.82
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL282107,6.54
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL280649,7.18
+Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)C(C2)N(CC2CC2)CCC314,CHEMBL26648,6.82
+O=C(O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3,CHEMBL132420,7.62
+O=C(O)CNC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3,CHEMBL422258,6.69
+N=C(N)NCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL334715,6.48
+NCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL132897,6.87
+NCCCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL335936,6.66
+O=C(O)C[C@@H](NC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)C(=O)O,CHEMBL334970,6.43
+CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL292521,7.92
+CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL58362,10.06
+CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL61630,7.922999999999999
+CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL60533,7.14
+CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,CHEMBL299031,8.14
+C=C1C[C@@]2(CC[C@H](N3CCCC3)[C@@H](N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O,CHEMBL70311,5.58
+C=C1C[C@]2(CC[C@H](N3CCCC3)[C@@H](N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O,CHEMBL307235,5.5
+CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2370869,5.0
+CC1(C)SSC[C@@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2370868,6.98
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2,CHEMBL73226,6.15
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)CC[C@@H]1N1CCCC1,CHEMBL74010,4.89
+CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2,CHEMBL73131,5.28
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1CN1CCCC1,CHEMBL433508,5.63
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1CN1CCCCC1,CHEMBL87010,6.35
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1,CHEMBL71294,5.81
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2C1CN1CCCC1,CHEMBL88168,7.33
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1CN1CCCCC1,CHEMBL88393,6.64
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1CN1CCCC1,CHEMBL89307,7.33
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2sccc2C1CN1CCCCC1,CHEMBL329114,6.38
+O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCCC1,CHEMBL128542,5.54
+CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL130272,6.195
+O=C(Cc1ccc(Cl)cc1)N1CCCCC1CN1CCCC1,CHEMBL128766,5.23
+CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL2111856,5.67
+O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCCC1CN1CCCC1,CHEMBL130714,6.01
+CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL433849,5.3
+O=C(Cc1ccc(Br)cc1)N1CCCCC1CN1CCCC1,CHEMBL130125,5.53
+Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C,CHEMBL435391,5.27
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCC1,CHEMBL2111857,5.15
+C[C@@H]1Cc2ccccc2[C@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1,CHEMBL102160,7.95
+CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)c2ccccc21,CHEMBL554885,6.62
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1CN1CCCC1,CHEMBL275025,7.52
+C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)c2ccccc21,CHEMBL101396,7.25
+O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2C1CN1CCCC1,CHEMBL554426,9.31
+CN(C(=O)Cc1cccc2sccc12)[C@H]1CCCC[C@@H]1N1CCCC1,CHEMBL543331,6.39
+Oc1ccc2c3c1O[C@H]1C(c4c[nH]c5ccccc45)=CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL610016,9.2
+CC1c2cccc3cccc(c23)C1C(=O)N(C)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCNC1,CHEMBL543809,6.56
+CC1c2cccc3cccc(c23)C1C(=O)N(C)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1,CHEMBL544276,6.61
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(=O)O,CHEMBL38578,7.04
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)O,CHEMBL39211,6.49
+Cc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC(C)(C)[C@@H](C(=O)O)NC2=O)cc1,CHEMBL39562,5.76
+CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(=O)O,CHEMBL289355,7.26
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL407529,7.51
+C=CCN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,CHEMBL265387,7.96
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL384584,9.62
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,CHEMBL425806,8.02
+C=CCN(CC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,CHEMBL413160,7.5
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(CCc2ccccc2)CC[C@]314,CHEMBL607339,6.76
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4C(C2)NCC[C@]314,CHEMBL344000,6.43
+NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN,CHEMBL98014,4.84
+NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,CHEMBL412591,4.78
+NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN,CHEMBL94792,5.14
+NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN,CHEMBL97363,5.17
+CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL340032,8.49
+CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CHEMBL13786,8.16
+CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1,CHEMBL2114291,4.72
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1,CHEMBL1094879,9.44
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1,CHEMBL1095519,8.17
+CC1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL57628,8.96
+Nc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL59314,8.25
+C[C@H]1C2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56208,6.24
+C[C@H]1C2Cc3ccc(NC=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL56246,8.72
+CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)[C@@H]2C,CHEMBL299709,8.21
+C[C@@H]1C2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL299027,5.64
+C[C@H]1C2Cc3ccc(N(C)C=O)cc3[C@@]1(C)CCN2CC1CC1,CHEMBL293485,6.26
+CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C,CHEMBL56357,6.62
+O=CNc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL298590,8.08
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL506821,6.67
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNOC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL216899,6.54
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NOC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL407124,6.78
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL414068,7.14
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL436911,9.36
+CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL414502,7.55
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)C1Cc2ccc(O)cc2CN1,CHEMBL51204,8.67
+C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL166853,9.52
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@H]2C(C)(C)C(C)(C)O4)C1C5,CHEMBL2110315,9.22
+CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)C3O5,CHEMBL353876,9.7
+CC1C2CC34CCC2(OC1(C)C)C1Oc2c(O)ccc5c2C13CCN(C)C4C5,CHEMBL169367,9.3
+CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,CHEMBL349841,10.0
+C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5c2C4(CCN1CC1CC1)[C@H]3O5,CHEMBL349636,9.15
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@@H]2C(C)(C)C(C)(C)O4)C1C5,CHEMBL2110199,9.7
+COc1ccc2c3c1O[C@@H]1C34CCN(C)[C@H](C2)C42CC[C@]1(OC)[C@@H]([C@](C)(O)C(C)C)C2,CHEMBL355296,9.4
+COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5,CHEMBL353979,9.7
+CCCCC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)C3O5,CHEMBL610268,8.46
+CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,CHEMBL2370163,8.15
+CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)O,CHEMBL2370162,6.21
+CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,CHEMBL2370165,9.54
+CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,CHEMBL2370161,8.87
+CN1CC[C@]23c4c5ccc(N)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL333959,7.28
+C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1,CHEMBL318723,7.1
+C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,CHEMBL319536,8.82
+CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(=O)O,CHEMBL143939,6.74
+C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CCC3(O)C1C5,CHEMBL378753,9.7
+CN1CC[C@]23c4c5ccc(OS(=O)(=O)O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL1415,7.0
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL1418,9.05
+CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL214040,9.1
+CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL385048,9.22
+CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL211576,7.7
+CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL213228,9.15
+CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5,CHEMBL209751,7.43
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5,CHEMBL385448,8.82
+CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL437682,7.86
+CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5,CHEMBL213737,7.21
+CC(=O)Oc1ccc2c3c1OC1C(OS(=O)(=O)O)C=CC4C(C2)[N+](C)(C)CCC341,CHEMBL379928,7.47
+C[N+]1(C)CCC23c4c5ccc(OC(=O)c6ccccc6)c4OC2C(OS(=O)(=O)O)C=CC3C1C5,CHEMBL211374,6.35
+COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1417,7.41
+COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,CHEMBL1416,6.71
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611139,9.22
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL611400,9.7
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL217395,9.62
+O=C1CC[C@@]2(NCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL443311,9.89
+O=C(CCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL267027,10.4
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL384497,9.23
+COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL216251,9.15
+O=C(O)CN1CCN(CCCCCn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@@H]3O6)CCN(CC(=O)O)CCN(CC(=O)O)CC1,CHEMBL426750,7.32
+O=C(O)CN1CCN(CCn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@@H]3O6)CCN(CC(=O)O)CCN(CC(=O)O)CC1,CHEMBL390173,5.76
+CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL429103,5.48
+O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL242077,5.39
+O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1,CHEMBL395304,5.3
+CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,CHEMBL490418,8.25
+O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@H]1O2,CHEMBL474296,9.4
+OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL474497,9.84
+Oc1ccc2c3c1O[C@H]1c4[nH]c5c6c(ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)CCCC6,CHEMBL469046,6.7
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL469027,6.95
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL520557,7.22
+Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,CHEMBL476540,7.63
+Cc1cc(O)cc(C)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)NC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,CHEMBL449801,7.81
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O,CHEMBL507442,8.62
+Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O,CHEMBL454035,8.82
+O=C(/C=C/c1ccccc1)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL473206,9.4
+Cc1ccc(/C=C/C(=O)O[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(CC2CC2)[C@@H]3C6)cc1,CHEMBL474641,8.48
+O=C(/C=C/c1ccc(Cl)cc1)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL514927,8.89
+CCC12CCN(CC3CC3)C(C(=O)c3ccc(O)cc31)C2C,CHEMBL55033,9.11
+CCC12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)C2C,CHEMBL461229,8.92
+CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CHEMBL505011,7.47
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1,CHEMBL517166,10.28
+C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1,CHEMBL464071,8.4
+C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1,CHEMBL459746,8.54
+C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1,CHEMBL2107292,8.48
+CC1C2C(=O)c3ccc(C(N)=O)cc3C1(C)CCN2CC1CC1,CHEMBL511691,8.85
+O=C1c2ccccc2N[C@]12C[C@@]1(O)[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,CHEMBL551207,9.12
+CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL485605,9.24
+O=C(Nc1ccccc1)[C@@H]1O[C@@]23CC[C@@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL1165548,9.69
+O=C(Nc1ccccc1)[C@H]1O[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2016680,9.67
+CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@]24CCO[C@]12CCC(=O)[C@@H]4O3,CHEMBL604522,7.62
+CC[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](NCC1CC1)C4,CHEMBL598940,7.58
+C=C[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4,CHEMBL604939,7.58
+C=C[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](NCC1CC1)C4,CHEMBL604733,8.07
+CC(CCN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL224151,6.61
+CN[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@H]21,CHEMBL1082709,6.79
+O=C1CC[C@@H]2[C@H]3c4c(ccc(O)c4O[C@@H]13)C[C@H]2NCC1CC1,CHEMBL1083953,7.52
+CN(C)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@H]21,CHEMBL1082400,7.29
+CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@H]21,CHEMBL1082323,8.47
+CN[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@]21O,CHEMBL1082638,6.93
+O=C1CC[C@]2(O)[C@H]3c4c(ccc(O)c4O[C@@H]13)C[C@H]2NCC1CC1,CHEMBL1082639,7.61
+CN(C)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@]21O,CHEMBL1082640,8.05
+CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@H]2[C@@H](O3)C(=O)CC[C@]21O,CHEMBL1082968,8.93
+O=C1CC[C@@]23OCCN(CC4CC4)[C@@H]2Cc2ccc(O)c4c2[C@H]3[C@H]1O4,CHEMBL1082969,6.53
+O=C1CC[C@]23OCCN4CC[C@@]25c2c(ccc(O)c2O[C@@H]15)C[C@@H]43,CHEMBL1082971,7.07
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,CHEMBL267495,9.3
+Cn1c(/C=C/C(=O)CCc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223773,8.16
+Cn1c(/C=C/C(=O)Cc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223774,8.18
+Cn1c(/C=C/C(=O)c2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223831,8.42
+Cc1occc1C(=O)/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223832,8.21
+CCCCCC(=O)/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223833,7.82
+Cn1c(CCC(=O)CCc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223834,9.26
+Cn1c(/C=C/c2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223889,8.75
+CCC/C=C/c1cc2c(n1C)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,CHEMBL1223890,8.23
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccccc1,CHEMBL1672475,9.87
+CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)C(=O)c1ccccc1,CHEMBL1672474,9.73
+O=C(Cc1ccccc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672471,9.88
+O=C(/C=C/c1ccoc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672472,10.08
+Cc1ccc(C(=O)NC[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)cc1,CHEMBL1672469,9.89
+Cc1cccc(C(=O)NC[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)c1,CHEMBL1672468,9.81
+Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672470,9.96
+Cc1ccc(C(=O)N(C)C[C@@]23CC[C@@]4(O2)[C@H]2Cc5ccc(O)cc5[C@@]4(CCN2CC2CC2)C3)cc1,CHEMBL1672476,9.57
+CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672477,10.28
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672478,9.54
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccc(O)cc1,CHEMBL1672479,9.92
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1cccc(O)c1,CHEMBL1672473,9.92
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccccc1O,CHEMBL1672480,9.83
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1cccc(F)c1,CHEMBL1672481,9.96
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1,CHEMBL1672482,8.36
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CCc1ccccc1)C2)c1ccccc1,CHEMBL1672483,9.61
+O=C(CCc1ccccc1)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2,CHEMBL1672484,9.74
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccc(O)cc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672485,9.02
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672486,9.41
+CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc13,CHEMBL1672487,9.33
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccc(O)cc1,CHEMBL1672488,7.57
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1O,CHEMBL1672489,7.76
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CCC1)C2)c1ccccc1,CHEMBL1672490,9.86
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccc(F)cc1,CHEMBL1672491,8.21
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1cccc(O)c1,CHEMBL1672492,7.74
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccccc1F,CHEMBL1672493,8.17
+O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1cccc(F)c1,CHEMBL1672494,8.87
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1N2[C@H]4O[C@]3(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)[C@@H]2O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797514,7.65
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797515,8.4
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL1797516,8.73
+CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@@H]1N3[C@H]2O[C@]2(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5C)[C@H]2O7)[C@@H]3O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5,CHEMBL1797517,8.98
+Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)O[C@@H]1N2[C@H]4O[C@]3(CC[C@H]4[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)[C@@H]2O[C@]12CC[C@H]1[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,CHEMBL1797518,7.65
+CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,CHEMBL397705,8.34
+O=C1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1,CHEMBL1797684,7.24
+CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc23)C1,CHEMBL1797685,8.44
+O=C1CCC23Cc4ccc(O)cc4C2(CCN(CC2(O)CC2)C3)C1,CHEMBL1797686,7.11
+CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C,CHEMBL1797687,9.7
+Oc1ccc2c3c1OC1C4(O)CC[C@@]5(OC4)[C@@H](C2)N(CC2CC2)CC[C@]315,CHEMBL1797688,9.8
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,CHEMBL1797689,9.85
+C/C(=C\CN(C)Cc1ccccc1)c1ccccc1,CHEMBL1917701,6.92
+COc1ccc(/C(C)=C/CN(C)Cc2ccccc2)cc1,CHEMBL1917702,7.04
+C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccccc1,CHEMBL1917711,6.82
+COc1ccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)cc1,CHEMBL1917712,6.83
+CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2179263,9.15
+CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2179262,9.05
+COC(=O)/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2179261,9.05
+COC(=O)/C=C/C(=O)N[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2179260,8.55
+COC(=O)CCC(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179259,9.15
+COC(=O)/C=C/C(=O)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179258,9.7
+COC(=O)/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,CHEMBL2179264,9.62
+O=C1CC2N(CC3CC3)CCC34CC(O)=C1CC23Cc1ccc(O)cc14,CHEMBL2207677,6.73
+O=C1CC23CCN(CC4CC4)C4CCC1CC42Cc1ccc(O)cc13,CHEMBL2207678,8.49
+O=C1CC23CCN(CC4CC4)C4C=CC1CC42Cc1ccc(O)cc13,CHEMBL2207679,7.75
+O=C1CC23CCN(CC4CC4)C4C[C@@H](O)C1CC42Cc1ccc(O)cc13,CHEMBL2207680,7.88
+O=C1CC23CCN(CC4CC4)C4C[C@H](O)C1CC42Cc1ccc(O)cc13,CHEMBL2207681,7.15
+CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL2338743,9.22
+CCCCC[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338736,8.57
+CCC[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338735,8.89
+CCCCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338755,8.62
+CCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,CHEMBL2338754,9.05
+CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,CHEMBL3262360,9.1
+CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,CHEMBL415247,8.67
+CN(C(=O)c1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613282,7.25
+CN(C(=O)Cc1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613281,7.22
+CN(C(=O)CCc1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613280,7.94
+CN(C(=O)/C=C/c1ccoc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613175,7.32
+CN(C(=O)c1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613174,9.55
+CN(C(=O)Cc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613173,9.71
+CN(C(=O)CCc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613172,9.64
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4CC[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613171,9.63
+CN(C(=O)c1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613170,7.32
+CN(C(=O)/C=C/c1ccoc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613167,7.86
+CN(C(=O)c1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613166,8.57
+CN(C(=O)CCc1ccccc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613164,9.29
+CN(C(=O)/C=C/c1ccoc1)[C@@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13,CHEMBL3613163,9.24
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H]1CCC[C@H]2N1CCCC1,CHEMBL3634395,6.51
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H](N3CCCC3)CCC[C@@H]21,CHEMBL3634397,6.46
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H](N3CCCC3)CCC[C@H]21,CHEMBL3634398,6.93
+COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@@H]21,CHEMBL3634516,7.37
diff --git a/chembl_200/CHEMBL4361.csv b/chembl_200/CHEMBL4361.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6bdb046fdcfac8abbe6e308e3e82e037ad005ede
--- /dev/null
+++ b/chembl_200/CHEMBL4361.csv
@@ -0,0 +1,379 @@
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C,CHEMBL410802,7.92
+CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O,CHEMBL376055,6.82
+Cc1oc2c(CC(C)C)c(O)c(O)c(=O)c-2c(O)c1-c1ccccc1,CHEMBL389660,6.4
+Cc1oc2c(CC(C)C)c(O)c(O)c(=O)c-2c(O)c1-c1ccc(-c2c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c2=O)cc1,CHEMBL226578,7.74
+Cc1cc(O)c2c(=O)c(O)c(O)c(CC(C)C)c-2o1,CHEMBL226678,5.77
+CC(C)c1cc(C(=O)c2ccccc2)c(O)c(O)c1O,CHEMBL269836,5.34
+O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2nc3ccccc3s2)c(O)c(O)c1O,CHEMBL258819,7.43
+O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2cccc3ccccc23)c(O)c(O)c1O,CHEMBL259034,6.82
+CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O,CHEMBL259033,6.47
+CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O,CHEMBL270268,6.42
+COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C,CHEMBL408194,6.0
+Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O,CHEMBL551288,5.59
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O,CHEMBL1272170,6.37
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCC(C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NCC(C)c3ccccc3)c2C1=O,CHEMBL1269070,6.51
+CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2C(=O)C(C)=C(C2=C(C)C(=O)c4c(cc(O)c(O)c4C(=O)NCCc4ccc(CC)cc4)C2=O)C3=O)cc1,CHEMBL1269012,6.68
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O,CHEMBL1269072,6.64
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O,CHEMBL1272224,6.51
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC3CCCC3)C2=O)C(=O)c2cc(O)c(O)c(CC3CCCC3)c2C1=O,CHEMBL1269073,5.68
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCC3CCCCC3)C2=O)C(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2C1=O,CHEMBL1269074,5.41
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccccc3)c2C1=O,CHEMBL1269075,6.06
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O,CHEMBL1269076,5.86
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2C1=O,CHEMBL1269077,6.35
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O,CHEMBL1269107,6.8
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccc(Cl)cc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2C1=O,CHEMBL1269110,6.57
+N#Cc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43,CHEMBL595134,7.254
+N#Cc1c2c3ccc(Oc4ccc(-c5ccccc5)cc4)c4cccc(c-2nc1=O)c43,CHEMBL1672069,5.89
+COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672070,6.75
+CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672071,7.0
+CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672072,6.91
+CCC(C)(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672073,6.01
+Cc1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672075,5.82
+N#Cc1c2c3ccc(Sc4ccc(-c5ccccc5)cc4)c4cccc(c-2nc1=O)c43,CHEMBL1672076,6.07
+COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672077,6.82
+CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672078,7.09
+CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672079,7.04
+CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672080,6.02
+N#Cc1c2c3ccc(Sc4ccc(Br)cc4)c4cccc(c-2nc1=O)c43,CHEMBL1672081,7.31
+Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc-3c3cccc1c32,CHEMBL1824187,6.67
+Cc1cccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)c1,CHEMBL1824186,6.35
+COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc-3c3cccc1c32,CHEMBL1824188,6.83
+COc1cccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)c1,CHEMBL1824189,6.43
+CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1824190,7.62
+CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940662,5.74
+CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940663,5.64
+CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940664,5.51
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940665,5.51
+CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940666,5.39
+CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)C(C)C,CHEMBL1940667,5.49
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccccc1,CHEMBL1940668,5.38
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2F)cc1,CHEMBL1940669,5.52
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1cccc(F)c1,CHEMBL1940670,5.51
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccc(F)cc1,CHEMBL1940671,5.6
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1,CHEMBL1940678,5.39
+COc1ccc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)cc1,CHEMBL1940679,5.51
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL1940680,5.14
+O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180317,7.25
+Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1,CHEMBL2180318,7.42
+O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180319,7.28
+CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1,CHEMBL2180320,7.89
+O=C1c2ccc(Br)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180321,6.97
+O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,CHEMBL55814,5.79
+O=C1c2ccccc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180322,6.51
+O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21,CHEMBL372711,5.64
+O=C(O)c1cc2ccccc2n1CCCOc1cccc2ccccc12,CHEMBL2314184,6.33
+Cc1cc(OCCCn2c(C(=O)O)cc3ccccc32)cc(C)c1Cl,CHEMBL2314183,6.39
+Cc1cc(OCCCn2c(C(=O)O)cc3ccccc32)ccc1Cl,CHEMBL2314182,5.92
+O=C(O)c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc12,CHEMBL2314181,5.6
+Cc1cc(OCCCc2c(C(=O)O)oc3ccccc23)cc(C)c1Cl,CHEMBL2314180,5.52
+O=C(O)c1sc2c(Cl)cccc2c1CCCOc1cccc2ccccc12,CHEMBL2314179,6.14
+Cc1cc(OCCCc2c(C(=O)O)sc3c(Cl)cccc23)cc(C)c1Cl,CHEMBL2314178,6.12
+O=C(O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL2314177,6.92
+Cc1cc(OCCCc2c(C(=O)O)sc3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL2314176,6.6
+O=C(O)c1sc2cccc(Cl)c2c1CCCOc1cccc2ccccc12,CHEMBL2314175,5.8
+Cc1cc(OCCCc2c(C(=O)O)sc3cccc(Cl)c23)cc(C)c1Cl,CHEMBL2314174,5.89
+Cc1cc(OCCCc2c(C(=O)O)sc3ccccc23)cc(C)c1Cl,CHEMBL2314173,6.49
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1,CHEMBL2314172,6.54
+Cc1cc(OCCCc2c(C(=O)O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL2314171,6.85
+Cn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2ccccc21,CHEMBL2314504,6.59
+Cc1cc(OCCCc2c(C(=O)O)n(C)c3ccccc23)cc(C)c1Cl,CHEMBL2314503,6.74
+O=C(O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2c1CCCC2,CHEMBL2314502,7.18
+O=C(O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL2314210,7.12
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL2314209,7.26
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)ccc1Cl,CHEMBL2314208,6.72
+O=C(O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12,CHEMBL2314207,6.15
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cccc(Cl)c23)cc(C)c1Cl,CHEMBL2314206,6.8
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cccc(Cl)c23)ccc1Cl,CHEMBL2314205,6.09
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2[nH]ccc12,CHEMBL2314204,4.85
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1,CHEMBL2314203,4.21
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCC2,CHEMBL2314202,5.54
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2c1CCCC2,CHEMBL2314201,6.52
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12,CHEMBL2314200,6.32
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1,CHEMBL2314199,5.12
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(Oc2ccccc2)cc1,CHEMBL2314197,5.19
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc(Oc2ccccc2)c1,CHEMBL2314196,5.28
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(-c2ccccc2)cc1,CHEMBL2314195,5.12
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc(-c2ccccc2)c1,CHEMBL2314194,5.11
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL2314193,6.52
+CCc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)ccc1Cl,CHEMBL2314192,5.96
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)ccc1Cl,CHEMBL2314191,6.42
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(C(F)(F)F)cc1,CHEMBL2314190,5.0
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)cc1,CHEMBL2314189,5.01
+Cc1ccc(OCCCc2c(C(=O)O)[nH]c3ccccc23)cc1,CHEMBL2314188,4.8
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc(C(F)(F)F)c1,CHEMBL2314187,5.77
+Cc1cccc(OCCCc2c(C(=O)O)[nH]c3ccccc23)c1,CHEMBL2314186,5.72
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccccc1C(F)(F)F,CHEMBL2314522,5.06
+Cc1ccccc1OCCCc1c(C(=O)O)[nH]c2ccccc12,CHEMBL2314521,4.82
+O=C(O)c1[nH]c2ccccc2c1CCCOc1ccccc1,CHEMBL2314520,4.46
+O=C(O)c1oc2ccccc2c1CCCOc1cccc2ccccc12,CHEMBL2314519,6.0
+O=C(O)c1oc2ccccc2c1CCCc1cccc2ccccc12,CHEMBL2314518,4.84
+O=C(O)c1oc2ccccc2c1CCc1cccc2ccccc12,CHEMBL2314517,5.02
+O=C(O)c1sc2ccccc2c1CCCOc1cccc2ccccc12,CHEMBL2314516,6.43
+O=C(O)c1sc2ccccc2c1CCCc1cccc2ccccc12,CHEMBL2314515,5.02
+O=C(O)c1sc2ccccc2c1CCc1cccc2ccccc12,CHEMBL2314514,4.9
+c1ccc2c(CSc3nnc[nH]3)cccc2c1,CHEMBL2314513,4.07
+Cc1cc(OCCC(=O)O)cc(C)c1Cl,CHEMBL2314512,4.22
+Cc1cc(OCC(=O)O)ccc1Cl,CHEMBL177299,3.99
+Cc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12,CHEMBL2314511,3.87
+Cn1c(C(=O)O)cc2cc(Br)ccc21,CHEMBL2314510,4.09
+Cn1c(C(=O)O)cc2ccccc21,CHEMBL36834,3.8
+O=C(O)c1cc2c(Br)cc(Cl)cc2o1,CHEMBL2314509,4.05
+Cc1ccc2c(C)c(C(=O)O)oc2c1C,CHEMBL2314508,3.67
+Cc1c(C(=O)O)oc2c(C)cccc12,CHEMBL2314507,3.99
+Cc1c(C(=O)O)oc2cc(Cl)ccc12,CHEMBL2314506,4.64
+Cc1c(C(=O)O)oc2ccc(Cl)cc12,CHEMBL2314505,4.28
+Cc1ccc2c(Cl)c(C(=O)O)sc2c1,CHEMBL2314523,4.4
+O=C(O)c1sc2cc(Cl)ccc2c1Cl,CHEMBL1448105,4.23
+O=C(O)c1sc2cccc(Cl)c2c1Cl,CHEMBL1612421,4.66
+O=C(O)c1sc2ccccc2c1Cl,CHEMBL1318391,3.88
+CC(C)c1ccc(Sc2c[nH]c(=O)c(C(=O)NCc3ccccc3)c2)cc1,CHEMBL2314383,7.27
+CC(C)c1ccc(Sc2c[nH]c(=O)c(C(=O)NCCCc3ccccc3)c2)cc1,CHEMBL2314384,6.72
+CCCCNC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O,CHEMBL2314382,6.65
+CC(C)NC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O,CHEMBL2314381,6.33
+CC(C)c1ccc(Sc2c[nH]c(=O)c(C#N)c2)cc1,CHEMBL2314376,6.06
+CC(C)c1ccc(Sc2cc(C#N)c(=O)n(Cc3ccccc3)c2)cc1,CHEMBL2314380,4.82
+N#Cc1cc(Sc2ccc(N)cc2)c[nH]c1=O,CHEMBL2314379,5.27
+N#Cc1cc(Sc2ccc(Br)cc2)c[nH]c1=O,CHEMBL2314378,5.32
+CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(C#N)c2)cc1,CHEMBL2314377,5.15
+Cc1ccc(Sc2c[nH]c(=O)c(C#N)c2)cc1,CHEMBL2314375,5.6
+N#Cc1cc(Sc2ccccc2)c[nH]c1=O,CHEMBL2314374,5.48
+N#Cc1cc(-c2ccc(-c3ccccc3)cc2)c[nH]c1=O,CHEMBL2314373,4.9
+N#Cc1cc(-c2ccc(Cl)cc2)c[nH]c1=O,CHEMBL2314372,5.09
+N#Cc1cc(-c2cccc3ccccc23)c[nH]c1=O,CHEMBL2314371,5.2
+N#Cc1cc(-c2ccccc2)c[nH]c1=O,CHEMBL1539493,4.98
+N#Cc1ccc[nH]c1=O,CHEMBL2314370,3.96
+O=c1c(=O)c2cccc3cccc1c32,CHEMBL395653,4.24
+N#CC(C#N)=C1C(=O)c2cccc3cccc1c23,CHEMBL2314369,5.55
+O=C(Nc1c(C(=O)NCCCc2ccccc2)cc(O)c(O)c1O)c1ccccc1,CHEMBL2436888,5.49
+O=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1,CHEMBL2436887,5.55
+CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1,CHEMBL2436886,5.7
+CC(C)c1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1,CHEMBL2436885,6.22
+Cc1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1,CHEMBL2436891,6.91
+O=c1c2cc(O)c(O)c(O)c2nc(-c2ccccc2)n1Cc1ccccc1,CHEMBL2436890,5.92
+O=c1nc[nH]c2c(O)c(O)c(O)cc12,CHEMBL2436889,5.22
+O=C(O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O,CHEMBL2030270,5.81
+CS(=O)(=O)Nc1cc(SCC(=O)O)c(O)c2ccccc12,CHEMBL3265289,4.13
+O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O,CHEMBL1865517,5.45
+Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CHEMBL1868007,5.5
+CCc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CHEMBL1607263,5.81
+CC(C)c1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CHEMBL3235886,5.97
+CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CHEMBL3265290,6.09
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O,CHEMBL1888104,5.37
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O,CHEMBL1564699,6.09
+COc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CHEMBL1465938,5.03
+O=C(O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O,CHEMBL3265291,5.63
+O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2Br)c2ccccc2c1O,CHEMBL3265292,5.35
+O=C(O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O,CHEMBL3265293,5.81
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O,CHEMBL3235895,6.14
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1O,CHEMBL3265294,6.43
+O=C(O)CSc1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc2c1O,CHEMBL3265295,6.42
+O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O,CHEMBL3265296,5.69
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccccc2c1O,CHEMBL3265297,6.77
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c2ccccc2c1O,CHEMBL3265298,6.62
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O,CHEMBL3265299,6.74
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1O,CHEMBL3265300,6.54
+O=C(O)CSc1cc(NS(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1O,CHEMBL3265301,5.65
+O=C(O)CSc1cc(NC(=O)c2ccc(Br)cc2)c2ccccc2c1O,CHEMBL3259874,4.4
+O=C(O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O,CHEMBL3265303,5.28
+O=C(O)CSc1cc(CNS(=O)(=O)c2ccccc2)c2ccccc2c1O,CHEMBL3265304,4.19
+O=C(O)CSc1cc(NC(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O,CHEMBL3265305,4.9
+O=C(O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1O,CHEMBL3265306,4.23
+COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O,CHEMBL3265309,5.29
+NC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O,CHEMBL3265310,5.77
+O=S(=O)(Nc1cc(CCCO)c(O)c2ccccc12)c1ccc(Br)cc1,CHEMBL3265311,5.42
+O=S(=O)(Nc1cc(CCCCO)c(O)c2ccccc12)c1ccc(Br)cc1,CHEMBL3265312,5.66
+O=S(=O)(Nc1cc(SCc2nn[nH]n2)c(O)c2ccccc12)c1ccc(Br)cc1,CHEMBL3265313,6.0
+O=S(=O)(Nc1cc(SCc2nn[nH]n2)c(O)c2ccccc12)c1ccc(Oc2ccccc2)cc1,CHEMBL3260032,6.68
+O=C(O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O,CHEMBL3260033,5.95
+COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12,CHEMBL3260035,4.06
+COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12,CHEMBL3260038,4.7
+COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12,CHEMBL3260039,4.62
+CC(=O)Oc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12,CHEMBL3260041,4.47
+COc1c(I)cc(C=O)c2ccccc12,CHEMBL3260042,6.26
+O=C(CC(Sc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1,CHEMBL3358688,4.885
+O=C(CC(Cc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1,CHEMBL3358689,4.7
+O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34,CHEMBL3298852,4.85
+O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34,CHEMBL3298853,4.89
+O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34,CHEMBL3298854,5.28
+O=C(O)C1=C[C@H](O)[C@@H]2C[C@H]3[C@H](CC/C=C/Cc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34,CHEMBL3299033,5.23
+O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)SC1=S,CHEMBL3401800,7.07
+O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S,CHEMBL3401801,7.18
+O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S,CHEMBL3401816,7.2
+O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)SC1=S,CHEMBL3401817,7.13
+Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccccc2)N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1,CHEMBL3401826,6.58
+O=C(O)c1[nH]c2ccccc2c1CCCCC1CCCCC1,CHEMBL3417580,5.36
+CC1Cn2c(C(=O)O)cc3cccc(c32)S1,CHEMBL3426310,4.46
+O=C(O)c1cc2cccc3c2n1CCS3,CHEMBL3426311,4.29
+O=C(O)c1cc2cccc3c2n1CCC3,CHEMBL3426312,3.88
+Cc1c(C(=O)O)n2c3c(cccc13)SCC2,CHEMBL3426313,4.74
+Cc1c(C(=O)O)n2c3c(cccc13)CCC2,CHEMBL3426314,4.05
+Cc1c(C(=O)O)n2c3c(cccc13)OCC2,CHEMBL3426315,4.74
+O=C(O)c1c(CCOc2cccc3ccccc23)c2cccc3c2n1CCS3,CHEMBL3426316,5.52
+O=C(O)c1c(CCOc2cccc3ccccc23)c2cccc3c2n1CCC3,CHEMBL3426317,5.4
+O=C(O)c1c(CCOc2cccc3ccccc23)c2cccc3c2n1CCO3,CHEMBL3426318,5.8
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3,CHEMBL3425519,6.92
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCC3,CHEMBL3426319,6.51
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCO3,CHEMBL3426320,6.96
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O,CHEMBL3426321,7.06
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3,CHEMBL3426322,6.77
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3=O,CHEMBL3426323,7.13
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O,CHEMBL3426324,7.21
+O=C(O)c1c(CCCOc2cccc3c2CCCC3)c2cccc3c2n1CCS3,CHEMBL3426325,6.82
+O=C(O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3c2n1CCS3,CHEMBL3426326,6.7
+O=C(O)c1c(CCCOc2ccc3c(c2)CCCC3)c2cccc3c2n1CCS3,CHEMBL3426327,6.39
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)ccc1Cl,CHEMBL3426328,6.68
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)cc(C)c1Cl,CHEMBL3426329,7.15
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)CCC3)cc(C)c1Cl,CHEMBL3426330,6.96
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)OCC3)cc(C)c1Cl,CHEMBL3426331,7.19
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCCC3)cc(C)c1Cl,CHEMBL3426332,7.4
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)CCC3)cc(C)c1Cl,CHEMBL3426333,8.52
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)OCC3)cc(C)c1Cl,CHEMBL3426334,8.05
+COCCCc1c(C(=O)O)n(CCN2CCOCC2)c2c(-c3c(C)nn(C)c3COc3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cccc12,CHEMBL3426335,9.34
+Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)SC1=S,CHEMBL3629834,5.49
+COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3629836,5.41
+COc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)SC1=S,CHEMBL3629837,5.43
+Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3628069,6.14
+O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1,CHEMBL3628077,6.15
+O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(I)cc4)C3=O)cc2)cc1,CHEMBL3628078,5.8
+Cc1cccc(-c2ccc(C[C@@H]3NC(=O)N([C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)cc2)c1,CHEMBL3629660,5.64
+O=Cc1ccc(-c2ccc(C[C@@H]3NC(=O)N([C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)cc2)cc1,CHEMBL3629661,5.03
+O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O,CHEMBL3629656,5.54
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3736270,5.66
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3736460,6.24
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc(Br)cc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3736193,6.2
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3735093,6.25
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(C)cc4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3734919,5.72
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccccc4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3735578,5.8
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3736279,5.92
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3735717,5.49
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL3735919,6.13
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL3736136,5.66
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3735206,6.28
+Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3)CN2C(=O)OC(C)(C)C)cc1,CHEMBL3735669,6.0
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3735545,5.92
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3735052,6.03
+Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3)CN2C(=O)OC(C)(C)C)cc1,CHEMBL3736039,5.48
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3735067,5.19
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL3736139,5.08
+Cc1cc(OCCCc2c(C(=O)Nc3ccc(C#N)cc3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl,CHEMBL3770817,7.29
+Cc1cc(OCCCc2c(C(=O)NC(C)(C)C)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3770783,6.0
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c2ccccc2c1O,CHEMBL3781059,5.56
+NS(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,CHEMBL1410420,4.0
+O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)c2ccccc2c1O,CHEMBL3780355,4.25
+O=C(O)c1cc(S(=O)(=O)NCc2ccccc2Cl)c2ccccc2c1O,CHEMBL3781306,4.3
+O=C(O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)c2ccccc2c1O,CHEMBL3781868,5.3
+O=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c2ccccc2c1O,CHEMBL3780331,4.68
+O=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)c2ccccc2c1O,CHEMBL3780058,5.14
+CN(C)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,CHEMBL3780614,4.59
+O=C(O)c1cc(S(=O)(=O)N2CCCCC2)c2ccccc2c1O,CHEMBL3780988,5.53
+O=C(O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1O,CHEMBL3780385,5.34
+O=C(O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1O,CHEMBL3781593,5.47
+O=C(O)c1cc(S(=O)(=O)Nc2ccccc2Br)c2ccccc2c1O,CHEMBL3781478,5.16
+O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c2ccccc2c1O,CHEMBL3780899,5.25
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)c2ccccc2c1O,CHEMBL3780113,6.38
+O=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c2ccccc2c1O,CHEMBL3780357,4.95
+O=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c2ccccc2c1O,CHEMBL3781502,5.34
+O=C(O)c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1O,CHEMBL3780451,5.07
+O=C(O)c1cc(S(=O)(=O)Nc2cccc(-c3ccccc3)c2)c2ccccc2c1O,CHEMBL3780990,5.73
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1O,CHEMBL3780617,5.81
+O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1O,CHEMBL3781823,5.39
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc2c1O,CHEMBL3780290,5.72
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2c1O,CHEMBL3781065,5.6
+Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1,CHEMBL3780094,4.46
+CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1,CHEMBL3781692,5.41
+COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1,CHEMBL3780070,4.92
+CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1,CHEMBL3780580,4.27
+N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1,CHEMBL3780766,4.65
+O=C(O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O,CHEMBL3781264,5.35
+N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)c1,CHEMBL3780382,4.57
+CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,CHEMBL3780576,6.31
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2c1O,CHEMBL3781946,5.94
+Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc1,CHEMBL3781396,6.47
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O,CHEMBL3780225,7.09
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)cc2)c2ccccc2c1O,CHEMBL3780311,6.94
+Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)c1,CHEMBL3781894,6.55
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O,CHEMBL3781669,7.1
+O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2c1O,CHEMBL3780719,6.76
+Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,CHEMBL3780473,6.93
+Cc1cc(Oc2ccc(N(CC(C)C)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,CHEMBL3780803,7.1
+Cc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,CHEMBL3780397,7.48
+Cc1cc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,CHEMBL3781822,7.51
+CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,CHEMBL3781019,6.25
+COc1c(C(=O)O)cc(S(=O)(=O)N(CC(C)C)c2ccc(Br)cc2)c2ccccc12,CHEMBL3779915,4.63
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@@H]3Cc4ccccc4N3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785998,7.34
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@@H]3Cc4ccccc4N3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785514,6.71
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cc4ccccc4o3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786823,6.51
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)Cc3cn(C)c4ccccc34)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786306,6.53
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cn(C)c4ccccc34)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3787690,6.36
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc4cc[nH]c4c3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785788,6.56
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc4[nH]ccc4c3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785629,6.57
+O=C(NS(=O)(=O)CCNC(=O)C1CCCCC1)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL3787266,6.43
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C3CCCCC3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785155,7.26
+CC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1,CHEMBL3785950,6.18
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNS(=O)(=O)C3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785385,6.6
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCCNC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786313,5.99
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)CC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786221,5.96
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786637,6.93
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786143,6.37
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCOc3ccccc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786848,6.49
+Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786069,6.18
+CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL3785892,6.64
+Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3786981,6.68
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@H]3Cc4ccccc4N3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3786285,7.55
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3-c3ccccc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785989,6.86
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3Cc3ccccc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785874,6.83
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc[nH]3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3787497,6.11
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3C)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786996,7.05
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccco3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3786092,7.28
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccoc3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785823,7.72
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cc(-c4ccccc4O)n[nH]3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785127,6.51
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3F)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786317,6.47
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccc(F)c3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3786582,7.0
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc(F)cc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785558,6.93
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3C(F)(F)F)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3786947,7.74
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccc(C(F)(F)F)c3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785228,7.1
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc(C(F)(F)F)cc3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3787037,6.92
+CC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1,CHEMBL3785851,6.68
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C(F)(F)F)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3786650,6.94
+CCC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1,CHEMBL3786244,7.06
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C(C)C)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785666,7.18
+CCC(CC)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1,CHEMBL3787025,7.8
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)CC(C)C)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3785235,8.0
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3785312,6.44
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3787178,7.04
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccncc3)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL3787127,6.47
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccco3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL3787122,6.94
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4)cccc23)cc(C)c1Cl,CHEMBL3787257,6.69
+Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12,CHEMBL3786018,7.44
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4C)cccc23)cc(C)c1Cl,CHEMBL3786051,7.85
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)O)o3)[nH]c3c(-c4c(C)n[nH]c4C)c(Cl)ccc23)cc(C)c1Cl,CHEMBL3785866,9.44
+Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)O)o3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl,CHEMBL3785263,9.11
+CC(C)Oc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1,CHEMBL3799447,6.79
+CCOc1ccc(-c2c(NC(=O)c3ccc(OCC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3797344,6.41
+CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799491,7.09
+CCOc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3800181,6.39
+CCOc1ccc(-c2c(NC(=O)c3ccccc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799456,6.2
+CC(C)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3799930,6.65
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1,CHEMBL3798048,5.62
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799627,6.43
+CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3798160,6.35
+CC(C)COc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1,CHEMBL3800356,5.09
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1,CHEMBL3799056,5.44
+CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1,CHEMBL3800016,5.42
+CC(C)COc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1,CHEMBL3798676,6.14
+CC(C)Oc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(C(C)C)cc3)c2-c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3797361,5.59
+COC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(-c2ccc(OC(C)C)cc2)c1NC(=O)c1ccc(OC(C)C)cc1,CHEMBL3798424,5.34
+Cc1ccc(/N=c2\c3ccc(C)cc3n(C(=O)c3ccc(C(C)(C)C)cc3)c3c(O)c(O)c(O)cc23)cc1,CHEMBL3798644,6.61
+CC(C)c1ccc2/c(=N\c3ccc(Oc4ccccc4)cc3)c3cc(O)c(O)c(O)c3n(C(=O)c3ccc(C(C)(C)C)cc3)c2c1,CHEMBL3798634,7.1
+COc1cc(O)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1,CHEMBL1456767,4.68
+COc1cc(C(=O)/C=C/c2ccc(O)cc2)c(O)c(OC)c1OC,CHEMBL3814238,4.4
+COc1ccc(C(=O)/C=C/c2cccc(F)c2O)cc1,CHEMBL3814082,4.7
+COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c(OC)c1OC,CHEMBL3813743,4.55
+COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1,CHEMBL3813804,5.0
+COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(Cl)c2)cc1,CHEMBL3814421,5.15
+COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(Cl)c2)c(OC)c1OC,CHEMBL3814931,5.52
+COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1O,CHEMBL3814893,5.7
+c1cc2c(cc1[C@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2,CHEMBL3814532,5.15
+C[C@@]12CC[C@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC1(O)C(=O)c2ccccc2C1=O,CHEMBL3815029,4.92
+Cc1c(/C=N/N2C=Nc3c([nH]c4ccccc34)C2)c(=O)oc2c3c4c(cc12)CCCN4CCC3,CHEMBL3813974,6.0
+O=C(Cc1cc(O)c(O)c(O)c1)NCc1ccc(C(=O)N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1,CHEMBL3819405,6.74
diff --git a/chembl_200/CHEMBL4409.csv b/chembl_200/CHEMBL4409.csv
new file mode 100644
index 0000000000000000000000000000000000000000..46ef1dd3fd4505e659727b2606705a8b256b986f
--- /dev/null
+++ b/chembl_200/CHEMBL4409.csv
@@ -0,0 +1,386 @@
+OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,CHEMBL932,6.0
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(F)(F)F)C3)c2cc1OC,CHEMBL428445,6.09
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc5nc(C)ccc5c4)C3)c2cc1OC,CHEMBL409651,7.74
+COc1ccc2cc(O[C@@H]3CCN(c4ncnc5cc(OC)c(OC)cc45)C3)ccc2c1,CHEMBL261711,7.74
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccn4)C3)c2cc1OC,CHEMBL260006,6.91
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc5c(c4)CCC5)C3)c2cc1OC,CHEMBL408977,7.17
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(C)C)C3)c2cc1OC,CHEMBL429686,6.77
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4Cl)C3)c2cc1OC,CHEMBL408978,6.7
+COc1cc2ncnc(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)c2cc1OC,CHEMBL219445,8.4
+COc1cc2ncnc(N3CC[C@@H](Oc4cc5ccccc5cn4)C3)c2cc1OC,CHEMBL220185,7.72
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc5cccnc5c4)C3)c2cc1OC,CHEMBL409613,7.92
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ncccc5c4)C3)c2cc1OC,CHEMBL263641,7.92
+COc1ccc2ccc(O[C@@H]3CCN(c4ncnc5cc(OC)c(OC)cc45)C3)cc2c1,CHEMBL218955,7.77
+COc1cc2ncnc(N3CC[C@@H](Oc4cccc5ccccc45)C3)c2cc1OC,CHEMBL263642,6.68
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC,CHEMBL410834,7.92
+COc1cc2ncnc(N3CC[C@@H](Oc4ccncc4)C3)c2cc1OC,CHEMBL259295,6.95
+COc1cc2ncnc(N3CC[C@@H](Oc4cccnc4)C3)c2cc1OC,CHEMBL374993,6.89
+COc1cc2ncnc(N3CC[C@@H](Oc4ncc(Cl)cn4)C3)c2cc1OC,CHEMBL385754,7.36
+COc1ccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1OC,CHEMBL409862,7.17
+CCOc1cccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)c1,CHEMBL219451,7.03
+COc1cc2ncnc(N3CC[C@@H](Oc4cccc(-c5ccccc5)c4)C3)c2cc1OC,CHEMBL218855,6.87
+CCOc1ccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1,CHEMBL375200,7.27
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc(C(C)(C)C)cc4)C3)c2cc1OC,CHEMBL387167,7.0
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4OC(F)(F)F)C3)c2cc1OC,CHEMBL430071,6.73
+COc1cc2ncnc(N3CC[C@@H](Oc4ccc(C#N)cc4)C3)c2cc1OC,CHEMBL441704,7.25
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C#N)C3)c2cc1OC,CHEMBL409484,6.89
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4OC)C3)c2cc1OC,CHEMBL427777,6.62
+COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C)C3)c2cc1OC,CHEMBL262088,6.49
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCCC3)c2c1,CHEMBL1939906,6.09
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(O)CC3)c2c1,CHEMBL1939907,7.24
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(F)CC3)c2c1,CHEMBL1939908,6.69
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCC(C(F)(F)F)C3)c2c1,CHEMBL1939909,6.45
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(C(F)(F)F)CC3)c2c1,CHEMBL1939910,6.06
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCC3)c2c1,CHEMBL1939911,7.62
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CC[C@@H](O)C3)c2c1,CHEMBL1939912,8.52
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(CO)C3)c2c1,CHEMBL1939913,7.49
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOCC3)c2c1,CHEMBL1939914,9.0
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(C)C3)c2c1,CHEMBL1939915,8.52
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(CO)C3)c2c1,CHEMBL1939916,9.22
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(C)(C)C3)c2c1,CHEMBL1939917,6.77
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3C[C@H](C)O[C@H](C)C3)c2c1,CHEMBL1939918,7.59
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCNCC3)c2c1,CHEMBL1939919,7.31
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCNC(=O)C3)c2c1,CHEMBL1940051,8.05
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCN[C@H](C)C3)c2c1,CHEMBL1940052,7.52
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCOCC3)c2c1,CHEMBL1940053,8.3
+COc1ccc2nc3n[nH]c(C)c3c(CN3CCCOCC3)c2c1,CHEMBL1940054,6.82
+Cc1[nH]nc2nc3ccc(C(F)(F)F)cc3c(CN3CCCOCC3)c12,CHEMBL1940055,6.98
+Cc1cc(O)cc2c(CN3CCCOCC3)c3c(C)[nH]nc3nc12,CHEMBL1940056,8.7
+COCCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCOCC3)c2c1,CHEMBL1940057,9.0
+Cc1cc(OC(C)C)cc2c(CN3CCCOCC3)c3c(C)[nH]nc3nc12,CHEMBL1940058,8.1
+Cc1cc(OC(F)(F)F)cc2c(CN3CCCOCC3)c3c(C)[nH]nc3nc12,CHEMBL1940059,7.72
+COc1cc(OC)c2nc3n[nH]c(C)c3c(CN3CCCOCC3)c2c1,CHEMBL1940060,7.85
+Cc1cc(Cl)cc2c(CN3CCCOCC3)c3c(C)[nH]nc3nc12,CHEMBL1940061,7.39
+Cc1[nH]nc2nc3c(OC(F)(F)F)cc(Br)cc3c(CN3CCCOCC3)c12,CHEMBL1940062,7.43
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3C4CCC3CC4)c2c1,CHEMBL1940063,5.92
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2c1,CHEMBL3084429,6.58
+COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CC4CC3CO4)c2c1,CHEMBL1940065,7.34
+Cc1cc(Cl)cc2c(CN3C4CCC3CC4)c3c(C)[nH]nc3nc12,CHEMBL1940066,6.64
+Cc1cc(Cl)cc2c(CN3CC4CC3CO4)c3c(C)[nH]nc3nc12,CHEMBL1940067,7.22
+COc1cc(C)c2nc3n[nH]c(C)c3c(OC3CCOCC3)c2c1,CHEMBL1939812,8.51
+COc1cc(C)c2nc3n[nH]c(C)c3c(N(C)C3CCOCC3)c2c1,CHEMBL1939811,7.39
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCNCC3)c2c1,CHEMBL1939810,7.82
+COc1cc(C)c2nc3n[nH]c(C)c3c(NC3CCNCC3)c2c1,CHEMBL1939809,7.26
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CN(C)CCO3)c2c1,CHEMBL1939808,6.55
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CNCCO3)c2c1,CHEMBL1939807,8.3
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCCCO3)c2c1,CHEMBL1939806,6.89
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCCC3CCOCC3)c2c1,CHEMBL1939805,6.39
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCOCC3)c2c1,CHEMBL1939804,7.28
+COc1cc(C)c2nc3n[nH]c(C)c3c(NC3CCOCC3)c2c1,CHEMBL1939803,7.92
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCCc3ccncc3)c2c1,CHEMBL1939802,7.15
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCc3ccccn3)c2c1,CHEMBL1939801,8.22
+COc1cc(C)c2nc3n[nH]c(C)c3c(NCc3ccncc3)c2c1,CHEMBL1939800,9.22
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCC(CO)C3)c2c1,CHEMBL1939799,7.54
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(NC(N)=O)CC3)c2c1,CHEMBL1939798,7.57
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(C(N)=O)CC3)c2c1,CHEMBL1939797,8.52
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(CN)CC3)c2c1,CHEMBL1939796,9.3
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(O)CC3)c2c1,CHEMBL1939795,7.85
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(N)CC3)c2c1,CHEMBL1939794,9.0
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCOC(CO)C3)c2c1,CHEMBL1939793,8.02
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCN(C(N)=O)[C@@H](C)C3)c2c1,CHEMBL1939792,8.48
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCNCC3)c2c1,CHEMBL1939791,7.82
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCSCC3)c2c1,CHEMBL1939790,6.71
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCOCC3)c2c1,CHEMBL1939789,8.44
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCOCC3)c2c1,CHEMBL1939788,7.64
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCCC3)c2c1,CHEMBL1939787,6.44
+Cc1[nH]nc2nc3ccc(Cl)cc3c(N3CCNCC3)c12,CHEMBL1939786,6.38
+Cc1cc(Cl)cc2c(N3CCNCC3)c3c(C)[nH]nc3nc12,CHEMBL1939785,7.46
+Cc1[nH]nc2nc3ccccc3c(N3CCNCC3)c12,CHEMBL1939784,6.26
+COc1ccc2nc3n[nH]c(C)c3c(N3CCNCC3)c2c1,CHEMBL1939783,6.23
+COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCNCC3)c2c1,CHEMBL1939782,7.96
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccnc(F)c3)c2c1,CHEMBL1949939,10.15
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccccn3)c2c1,CHEMBL1949938,7.27
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3cccnc3)c2c1,CHEMBL1949937,8.0
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccncc3)c2c1,CHEMBL1949936,10.22
+Cc1ncc(C(O)c2c3cc(Cl)cc(C)c3nc3n[nH]c(C)c23)cn1,CHEMBL1950091,8.52
+Cc1cc(Cl)cc2c(C(O)c3cncn3C)c3c(C)[nH]nc3nc12,CHEMBL1950090,7.68
+Cc1cc(Cl)cc2c(C(O)c3ncco3)c3c(C)[nH]nc3nc12,CHEMBL1950089,9.4
+Cc1cc(Cl)cc2c(C(O)c3ccnc(F)c3)c3c(C)[nH]nc3nc12,CHEMBL1950088,9.0
+Cc1cc(Cl)cc2c(C(O)c3ccccn3)c3c(C)[nH]nc3nc12,CHEMBL1950087,7.41
+Cc1cc(Cl)cc2c(C(O)c3cccnc3)c3c(C)[nH]nc3nc12,CHEMBL1950086,7.96
+Cc1cc(Cl)cc2c(C(O)c3ccncc3)c3c(C)[nH]nc3nc12,CHEMBL1950085,9.7
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(F)c3ccncc3)c2c1,CHEMBL1950084,9.52
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(=O)c3ccncc3)c2c1,CHEMBL1950083,9.0
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(C)(O)c3ccncc3)c2c1,CHEMBL1950082,8.4
+COc1ccc(C(C#N)c2c3cc(OC)cc(C)c3nc3n[nH]c(C)c23)cc1,CHEMBL1950081,8.7
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(C#N)c3ccccc3)c2c1,CHEMBL1950080,7.92
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccc(F)cc3)c2c1,CHEMBL1950079,7.08
+COc1ccc(C(O)c2c3cc(OC)cc(C)c3nc3n[nH]c(C)c23)cc1,CHEMBL1950078,8.7
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccccc3)c2c1,CHEMBL1950077,7.3
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3cncs3)c2c1,CHEMBL1949942,8.7
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3cncn3C)c2c1,CHEMBL1949941,7.68
+COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ncco3)c2c1,CHEMBL1949940,9.22
+COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N(C)C(C)(C)C)s3)ncn1CC2,CHEMBL2017057,8.06
+COc1cc2c(cc1OC)-c1c(-c3cncs3)ncn1CC2,CHEMBL2017087,7.46
+COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2,CHEMBL2017058,7.7
+COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCOCC4)s3)ncn1CC2,CHEMBL2017059,8.0
+COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCCOCC4)s3)ncn1CC2,CHEMBL2017060,8.82
+COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)NC4CCOCC4)s3)ncn1CC2,CHEMBL2017061,8.37
+COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)NCc4ccccc4)s3)ncn1CC2,CHEMBL2017062,7.4
+COc1cc2c(cc1OC)-c1c(-c3cnc(C)s3)ncn1CC2,CHEMBL2017063,6.73
+COc1cc2c(cc1OC)-c1c(-c3cnc(CO)s3)ncn1CC2,CHEMBL2017064,7.59
+COc1cc2c(cc1OC)-c1c(-c3cnc(N4CCOCC4)s3)ncn1CC2,CHEMBL2017065,7.59
+COc1cc2c(cc1OC)-c1c(-c3cnc(CN4CCOCC4)s3)ncn1CC2,CHEMBL2017066,8.18
+COc1cc2c(cc1OC)-c1c(-c3cnc(CN4CCCOCC4)s3)ncn1CC2,CHEMBL2017067,8.42
+COc1cc2c(cc1OC)-c1c(-c3cscn3)ncn1CC2,CHEMBL2017068,6.06
+COc1cc2c(cc1OC)-c1c(-c3cnco3)ncn1CC2,CHEMBL2017069,7.51
+COc1cc2c(cc1OC)-c1c(-c3cocn3)ncn1CC2,CHEMBL2017070,6.29
+COc1cc2c(cc1OC)-c1c(-c3cncn3C)ncn1CC2,CHEMBL2017071,6.58
+COc1cc2c(cc1OC)-c1c(C3CCCCC3)ncn1CC2,CHEMBL2017072,6.7
+COc1cc2c(cc1OC)-c1c(-c3ccccc3)ncn1CC2,CHEMBL2017073,6.92
+COc1cc2c(cc1OC)-c1c(-c3ccccc3Cl)ncn1CC2,CHEMBL2017074,6.2
+COc1cc2c(cc1OC)-c1c(-c3cccc(Cl)c3)ncn1CC2,CHEMBL2017075,7.48
+COc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)ncn1CC2,CHEMBL2017076,6.74
+COc1cc2c(cc1OC)-c1c(-c3ccccc3OC)ncn1CC2,CHEMBL2017077,6.67
+COc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1,CHEMBL2017078,7.52
+COc1ccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)cc1,CHEMBL2017079,6.94
+COc1cc2c(cc1OC)-c1c(-c3cccc(Br)c3)ncn1CC2,CHEMBL2016583,7.49
+CCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1,CHEMBL2017080,8.1
+COc1cc2c(cc1OC)-c1c(-c3cccc(N4CCOCC4)c3)ncn1CC2,CHEMBL2017081,8.19
+COc1cc2c(cc1OC)-c1c(-c3ccccn3)ncn1CC2,CHEMBL2017082,6.62
+COc1cc2c(cc1OC)-c1c(-c3cccnc3)ncn1CC2,CHEMBL2017083,7.54
+COc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2,CHEMBL2017084,7.0
+COc1cc2c(cc1OC)-c1c(-c3cncnc3)ncn1CC2,CHEMBL2017085,7.4
+COc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(C)n1CC2,CHEMBL2017086,7.6
+COc1cc2c(cc1OC)-c1c(-c3cccnc3)ncn1C(C)C2,CHEMBL2017088,7.92
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3nc(C)ccc3c2=O)cc1,CHEMBL2180402,10.0
+COc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc3cnn(C)c3c1)C2=O,CHEMBL2180401,9.02
+CC(C)CC(=O)N1CCc2nc(-c3cncc(-c4cn[nH]c4)c3)nc(N(C)Cc3ccccc3)c2C1,CHEMBL2180430,7.82
+O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCC3C=NC(c4ccccc4)=N3)c2C1,CHEMBL2180429,8.66
+O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1,CHEMBL2180428,7.32
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL2180426,8.7
+COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1,CHEMBL2180424,7.06
+COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2,CHEMBL2180423,9.035
+CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(S(=O)(=O)c1cccnc1)CC2,CHEMBL2180422,9.2
+CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Nc1cnn(C)c1)CC2,CHEMBL2180421,9.05
+CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2,CHEMBL2204537,8.345
+COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2,CHEMBL2204538,9.0
+CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2,CHEMBL2204539,9.0
+Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)nc3)nc(OC(C)C)c2C1,CHEMBL2204540,6.61
+Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(=O)[nH]c3)nc(OC(C)C)c2C1,CHEMBL2204541,7.2
+Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(Cl)nc3)nc(OC(C)C)c2C1,CHEMBL2204542,9.22
+Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(F)nc3)nc(OC(C)C)c2C1,CHEMBL2204543,8.52
+Cc1ccc(-c2nc3c(c(OC(C)C)n2)CN(C(=O)Nc2cnccc2C)CC3)cn1,CHEMBL2204544,8.1
+Cc1ccncc1NC(=O)N1CCc2nc(-c3cccnc3)nc(OC(C)C)c2C1,CHEMBL2205202,8.1
+CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(OC4CCN(C)CC4)c3C2)c1,CHEMBL2205203,7.85
+CC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205204,7.77
+COc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205205,7.03
+CC(C)Oc1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205206,7.01
+COCCOc1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205207,6.87
+COc1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205208,6.37
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(S(C)(=O)=O)CC2,CHEMBL2205209,6.07
+CC(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(N(C)CCc3ccccn3)c2C1,CHEMBL2205210,6.06
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2,CHEMBL2205211,6.28
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2,CHEMBL2205212,6.65
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)OC(C)(C)C)CC2,CHEMBL2205213,6.73
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1cccc(F)c1)CC2,CHEMBL2205214,6.81
+COc1ccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(N(C)CCc4ccccn4)c3C2)cc1,CHEMBL2205215,6.91
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccncc1)CC2,CHEMBL2205216,6.93
+CN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205217,6.29
+Cc1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205222,5.36
+CN(CCc1ccccn1)c1nc(-c2cccc(Br)c2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205223,6.0
+CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205218,6.3
+CN(CCc1ccccn1)c1nc(-c2ccccn2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205219,6.06
+CN(CCc1ccccn1)c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205220,6.92
+CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL2205221,7.03
+Cc1c(Cl)nc(C2CC2)nc1N1CCCC1,CHEMBL3621542,5.28
+Cc1c(Cl)nc(C2CC2)nc1N1CCCCC1,CHEMBL3621543,5.68
+Cc1c(Cl)nc(C2CC2)nc1N1CCNCC1,CHEMBL3621544,5.34
+Cc1c(Cl)nc(C2CC2)nc1NC(C)C,CHEMBL3621545,5.44
+CCNc1nc(C2CC2)nc(Cl)c1C,CHEMBL3621546,5.92
+Cc1c(Cl)nc(C2CC2)nc1NC1CCCC1,CHEMBL3621547,5.55
+CCCNc1nc(C2CC2)nc(Cl)c1C,CHEMBL3621548,6.06
+Cc1c(Cl)nc(C2CC2)nc1NCc1ccoc1,CHEMBL3621549,6.17
+Cc1c(Cl)nc(C2CC2)nc1NCc1ccccc1,CHEMBL3621550,5.85
+C=C(F)CNc1nc(C2CC2)nc(Cl)c1C,CHEMBL3621551,6.74
+Cc1c(Cl)nc(C2CC2)nc1NCc1cnn(C)c1,CHEMBL3621552,7.43
+Cc1c(Cl)nc(C2CC2)nc1NCCc1cnn(C)c1,CHEMBL3621553,5.82
+Cc1c(Cl)nc(C2CC2)nc1NCc1ccncc1,CHEMBL3621554,6.7
+Cc1c(Cl)nc(C2CC2)nc1NC(C)c1ccncc1,CHEMBL3621555,6.05
+Cc1c(Cl)nc(C2CC2)nc1N(C)Cc1cnn(C)c1,CHEMBL3622876,6.66
+Cc1cc(CNc2nc(C3CC3)nc(Cl)c2C)on1,CHEMBL3622877,7.42
+Cc1cc(CN(C)c2nc(C3CC3)nc(Cl)c2C)on1,CHEMBL3622878,6.27
+Cc1nc(C)c(CNc2nc(C3CC3)nc(Cl)c2C)s1,CHEMBL3622879,8.32
+Cc1nc2c(s1)CN(c1nc(C3CC3)nc(Cl)c1C)CC2,CHEMBL3622880,5.89
+Cc1cc(CNc2nc(C3CC3)nc(Cl)c2C)no1,CHEMBL3622881,7.29
+Cc1c(Cl)nc(C2CC2)nc1NCc1ccon1,CHEMBL3622882,6.09
+Cc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)cn1,CHEMBL3622883,6.89
+Cc1c(Cl)nc(C2CC2)nc1NCc1cccnc1,CHEMBL3622884,6.0
+Cc1ncc(CNc2nc(C3CC3)nc(Cl)c2C)s1,CHEMBL3622885,7.59
+Cc1ncsc1CNc1nc(C2CC2)nc(Cl)c1C,CHEMBL3622886,5.8
+Cc1c(Cl)nc(C2CC2)nc1NCc1cncs1,CHEMBL3622887,6.0
+COc1ncc(CNc2nc(C3CC3)nc(Cl)c2C)s1,CHEMBL3622888,8.0
+Cc1nc(CNc2nc(C3CC3)nc(Cl)c2C)cs1,CHEMBL3622889,7.74
+Cc1csc(CNc2nc(C3CC3)nc(Cl)c2C)n1,CHEMBL3622890,5.17
+CCCOc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1,CHEMBL3622891,8.29
+COc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1,CHEMBL3622892,8.07
+Cc1nc(C)c(CNc2nc(OCCO)nc(Cl)c2C)s1,CHEMBL3622893,7.92
+Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1,CHEMBL3622894,8.7
+Cc1nc(C)c(CNc2nc(OCCC3CCCCN3)nc(Cl)c2C)s1,CHEMBL3622895,6.23
+Cc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1,CHEMBL3622896,8.05
+Cc1nc(C)c(CNc2nc(OCCC3CCCCC3)nc(Cl)c2C)s1,CHEMBL3622897,6.4
+Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1,CHEMBL3622899,10.67
+Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1,CHEMBL3622900,10.4
+Cc1nc(C)c(CNc2nc(OCCCc3cn4ccccc4n3)nc(Cl)c2C)s1,CHEMBL3622901,10.33
+Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4s3)nc(Cl)c2C)s1,CHEMBL3622902,10.26
+Cc1nc(C)c(CNc2nc(OCCCc3ccc4cccnc4n3)nc(Cl)c2C)s1,CHEMBL3622903,9.96
+Cc1nc(C)c(CNc2nc(OCCCc3cnc4ccccc4n3)nc(Cl)c2C)s1,CHEMBL3622904,9.43
+Cc1c(Cl)nc(C2CC2)nc1Cl,CHEMBL3622905,5.06
+Cc1c(N)nc(C2CC2)nc1Cl,CHEMBL3622906,5.66
+O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccc2[nH]ccc2c1,CHEMBL3627814,7.89
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3ncccc3c2=O)cc1,CHEMBL3627845,9.34
+Cc1ccc2c(=O)n(-c3ccc4c(cnn4C)c3)c(CCN3C(=O)c4ccccc4C3=O)nc2c1,CHEMBL3627846,10.6
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccccc1C)C(C)=O,CHEMBL3627923,5.95
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O,CHEMBL3627924,6.96
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)C(C)=O,CHEMBL3627801,7.06
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(C)=O,CHEMBL3627802,6.55
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(C)=O,CHEMBL3627803,6.91
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)C(C)=O,CHEMBL3627804,6.58
+CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(-c2ccccc2)cc1)C(C)=O,CHEMBL3627805,7.31
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccccc3c2=O)cc1,CHEMBL3627806,7.21
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccccc3c2=O)cc1OC,CHEMBL3627807,7.19
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cccc(Cl)c3c2=O)cc1,CHEMBL3627808,6.77
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccc(Cl)cc3c2=O)cc1,CHEMBL3627809,6.79
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(Cl)ccc3c2=O)cc1,CHEMBL3627810,7.35
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(OC)ccc3c2=O)cc1,CHEMBL3627812,7.41
+COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1,CHEMBL3627813,7.82
+COc1ccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627815,6.66
+COc1ccc(-n2c(CCN3C(=O)c4cccc(Cl)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627816,8.11
+COc1ccc(-n2c(CCN3C(=O)c4ccc(Cl)cc4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627817,7.52
+COc1ccc(-n2c(CCN3C(=O)c4c(Cl)ccc(Cl)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627818,8.2
+COc1ccc(-n2c(CCN3C(=O)c4cccc(O)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627839,7.68
+CCOc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OC)cc1)C2=O,CHEMBL3627840,9.0
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627841,9.82
+COc1ccc(-n2c(CCN3C(=O)c4cccc(Br)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627842,8.08
+COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5nccs5)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627843,8.74
+COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5ccncc5)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3627844,10.14
+O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCc3ccccn3)c2C1,CHEMBL3675608,6.72
+O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(N3CCc4ccncc4C3)c2C1,CHEMBL3675609,6.79
+COc1cccc(C2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1,CHEMBL3675610,6.82
+COC(=O)NCCNc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2,CHEMBL3675611,7.02
+O=C(Nc1ccccc1)N1CCc2nc(-c3ccc(F)nc3)nc(NCCc3ccccn3)c2C1,CHEMBL3675612,6.94
+CC(C)CC(=O)N1CCc2nc(-c3cncc(-c4cncnc4)c3)nc(N(C)Cc3ccccc3)c2C1,CHEMBL3675613,7.2
+O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCc3cnc(-c4ccccc4)[nH]3)c2C1,CHEMBL3675614,8.66
+Cc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(OC(C)C)c3C2)cn1,CHEMBL3659648,7.5
+COC[C@H](C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Nc1ccc(C)nc1)CC2,CHEMBL3659649,9.04
+COCCOc1nc(-c2ccc(C)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2,CHEMBL3659650,7.9
+COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Oc1ccccc1)CC2,CHEMBL3659651,7.77
+COC[C@H](C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2,CHEMBL3659652,9.37
+CC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccc3ccn(C)c3c1)CC2,CHEMBL3659653,8.04
+Cc1ccc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC(C)C)c3C2)cn1,CHEMBL3659654,9.22
+COc1cc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC4CCOC4)c3C2)ccn1,CHEMBL3659655,9.08
+Cc1ccc(C(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC(C)C)c3C2)cn1,CHEMBL3659656,8.0
+CC(C)Oc1nc(-c2cccnc2)nc2c1CN(c1nc3ccccc3o1)CC2,CHEMBL3659657,7.8
+COc1ccc2[nH]c(C(=O)N3CCc4nc(-c5cccnc5)nc(OC(C)C)c4C3)cc2n1,CHEMBL3659658,9.1
+Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)cn1,CHEMBL3695713,9.565
+c1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn[nH]c3)n3nccc3n2)nc1,CHEMBL3695714,9.62
+COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)nc1,CHEMBL3695715,10.92
+COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3oc(C)nc3C)n3nccc3n2)nc1,CHEMBL3695716,8.89
+Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1,CHEMBL3695717,9.96
+Cc1nc(C)c(CNc2cc(C3CC3)nc3ccnn23)s1,CHEMBL3695718,8.04
+COc1ccc(CCCCc2cc(NCc3sc(C)nc3C)n3nccc3n2)nc1,CHEMBL3695719,9.43
+Cc1nc(C)c(CNc2cc(C(C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1,CHEMBL3695720,7.11
+Cc1nc(C)c(CNc2cc(CCC#Cc3ccc4ccccc4n3)nc3ccnn23)s1,CHEMBL3695721,9.85
+Cc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1,CHEMBL3695722,10.1
+Cc1c(OC[C@H]2C[C@@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1,CHEMBL3695723,8.6
+Cc1ccc([C@H]2C[C@@H]2COc2cc(Oc3ccc(C)nc3)n3nccc3n2)nc1,CHEMBL3695724,7.7
+Cc1nc(C)c(CNc2cc(C(=O)NC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc3ccnn23)s1,CHEMBL3695725,9.74
+Cc1nc(C)c(CNc2cc(C(=O)NCCc3ccccn3)nc3ccnn23)s1,CHEMBL3695726,8.96
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1,CHEMBL3699658,9.1
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnc(C3CC3)s2)nc1,CHEMBL3699659,8.38
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)c(C)nc2-c2cncc(OC)c2)nc1,CHEMBL3699660,9.66
+COc1ccc([C@H]2C[C@@H]2COc2ncc(C)cc2-c2cnn3c2CCC3)nc1,CHEMBL3699661,9.47
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2=CCC(O)CC2)nc1,CHEMBL3699662,9.82
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2csc(C)n2)nc1,CHEMBL3699663,9.11
+COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1,CHEMBL3699650,9.64
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1,CHEMBL3699651,9.6
+Cn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1,CHEMBL3699652,10.4
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2/C=C/c2cccnc2)nc1,CHEMBL3699654,9.22
+COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2C2CCCN(C(C)=O)C2)nc1,CHEMBL3699655,8.6
+COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2CN2CCC(F)(F)C2)nc1,CHEMBL3699656,7.22
+Cc1ncc(-c2cnn(C)c2)c(OC[C@H]2C[C@@H]2c2ccn(C)n2)n1,CHEMBL3699657,8.49
+Cc1c(Cl)nc(OCCCc2ccc3ncccc3n2)nc1NCc1cnn(C)c1,CHEMBL3665946,8.68
+Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1,CHEMBL3665947,10.72
+Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1,CHEMBL3665949,9.36
+COc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C,CHEMBL3665950,9.77
+Cn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1,CHEMBL3665951,7.46
+Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(C#N)c2C)s1,CHEMBL3665952,7.0
+CSc1nc(OC[C@H]2C[C@@H]2c2ccccn2)nc(NCc2cnn(C)c2)c1C,CHEMBL3665953,9.77
+Cc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C,CHEMBL3665954,7.28
+Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1,CHEMBL3665955,10.24
+Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1,CHEMBL3665956,8.19
+Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc1NCc1nc(C)n(C)n1,CHEMBL3665957,8.09
+Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)o1,CHEMBL3665958,9.31
+Cc1nc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1,CHEMBL3665959,8.66
+COc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1,CHEMBL3665960,9.11
+Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1,CHEMBL3659059,10.52
+Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)nc(C)n2)nc1,CHEMBL3659078,10.4
+Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1,CHEMBL3659060,9.22
+COc1cccnc1[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1,CHEMBL3659061,8.44
+Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccc(C(F)F)cn2)n1,CHEMBL3659062,8.46
+Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1,CHEMBL3659063,10.7
+Cc1nc(NCc2nnc(C3CC3)s2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1,CHEMBL3659064,8.42
+Cc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1,CHEMBL3659065,7.38
+COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1,CHEMBL3659066,10.3
+Cc1ccc([C@H]2C[C@@H]2COc2nc(C)nc(NCc3nnc(C)s3)c2Cl)nc1,CHEMBL3659067,8.41
+Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(CF)n2)s1,CHEMBL3659068,8.96
+Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1,CHEMBL3659069,8.8
+COc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(NCc3nnc(C)s3)c2F)nc1,CHEMBL3659070,9.3
+Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)c2F)s1,CHEMBL3659071,8.44
+Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)c2F)s1,CHEMBL3659072,10.05
+Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1,CHEMBL3659073,9.0
+Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(C3CC3)cn2)n1,CHEMBL3659074,10.1
+Cc1nc(NCc2cc(C)on2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1,CHEMBL3659075,8.96
+Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1,CHEMBL3659076,8.28
+Cc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(NCc3nnc(C)s3)c2C#N)nc1,CHEMBL3659077,8.8
+COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5ncco5)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644275,8.74
+CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OCc3ccccc3)cc1)C2=O,CHEMBL3644276,9.08
+CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(O)cc1)C2=O,CHEMBL3644277,9.55
+COc1ccc(-n2c(CCNC(=O)c3ccccc3OC)nc3ccccc3c2=O)cc1,CHEMBL3644278,6.85
+Cc1ccc2c(=O)n(-c3ccc4c[nH]nc4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1,CHEMBL3644273,10.0
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+COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ncccc3c2=O)cc1,CHEMBL3644255,7.41
+O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1cccc(-c2ccccc2)c1,CHEMBL3644256,7.85
+COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)ccc3c2=O)cc1,CHEMBL3644257,7.11
+COc1ccc(-n2c(CCN3C(=O)c4ccc(C)cc4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644258,7.59
+COc1ccc(-n2c(CCN3C(=O)c4cccc(C#N)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644259,7.48
+COc1ccc2c(=O)n(-c3cccc(C)c3)c(CCN3C(=O)c4cccc(OC)c4C3=O)nc2c1,CHEMBL3644260,9.15
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC)c4C3=O)nc3cc(C)ccc3c2=O)cc1,CHEMBL3644261,8.92
+COc1ccc(-n2c(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)nc3ccccc3c2=O)cc1,CHEMBL3644262,7.41
+COc1ccc(-n2c(CCNC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)cc1,CHEMBL3644263,7.32
+CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OCCF)cc1)C2=O,CHEMBL3639431,9.72
+COc1ccc2c(=O)n(-c3ccc4cc[nH]c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1,CHEMBL3644264,10.26
+COc1ccc2c(=O)n(-c3cccc(C)c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1,CHEMBL3644265,10.11
+CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ncccc3c(=O)n1-c1ccc3c[nH]nc3c1)C2=O,CHEMBL3644266,9.32
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644267,9.1
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC5CC5)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644268,8.89
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC5CCC5)c4C3=O)nc3ccccc3c2=O)cc1,CHEMBL3644269,9.0
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3nc(C)ccc3c2=O)cc1,CHEMBL3644270,8.68
+COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3cc(C)ccc3c2=O)cc1,CHEMBL3644271,10.0
+CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1C1CCCCC1)C2=O,CHEMBL3644272,7.96
+Cc1nc(C)c(CNc2cc(Cl)nc3ccnn23)s1,CHEMBL3747347,7.24
+Clc1cc(Cl)n2nccc2n1,CHEMBL3747320,4.62
+Cc1nc(C)c(CNc2nc(OCC3CC3C3CCCN3C)nc(Cl)c2C)s1,CHEMBL3747470,7.13
+Cc1nc(C)c(CNc2nc(OCC3CC3c3ncccn3)nc(Cl)c2C)s1,CHEMBL3746957,8.44
+Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc(C#N)cn3)nc(Cl)c2C)s1,CHEMBL3747617,8.85
+Cc1nc(C)c(CNc2nc(OCC3CC3c3cncn3C)nc(Cl)c2C)s1,CHEMBL3745889,7.69
+Cc1nc(C)c(CNc2nc(OCC3CC3c3ccncc3)nc(Cl)c2C)s1,CHEMBL3745984,8.08
+Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc4ncccc4n3)nc(Cl)c2C)s1,CHEMBL3746917,10.7
+Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc4ccccc4n3)nc(Cl)c2C)s1,CHEMBL3746993,11.0
+Cc1nc(C)c(CNc2nc(OCC3CC3c3cn(C)cn3)nc(Cl)c2C)s1,CHEMBL3747450,10.7
+COc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1,CHEMBL3745790,11.0
+Cc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1,CHEMBL3746277,11.0
+Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccccn3)nc(Cl)c2C)s1,CHEMBL3747020,8.07
+Cc1nc(C)c(CNc2nc(CC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1,CHEMBL3747736,8.77
+Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccccn3)nc(Cl)c2C)s1,CHEMBL3746935,7.81
+Cc1nc(C)c(CNc2nc(CCC#Cc3ccccn3)nc(Cl)c2C)s1,CHEMBL3747006,8.96
+Cc1nc(C)c(CNc2nc(OCC#Cc3ccccn3)nc(Cl)c2C)s1,CHEMBL3745797,8.51
+Cc1nc(C)c(CNc2nc(NCC(C)(C)Cc3ccccn3)nc(Cl)c2C)s1,CHEMBL3747741,7.72
+Cc1nc(C)c(CNc2nc(NCCCc3ccccn3)nc(Cl)c2C)s1,CHEMBL3746862,8.39
+Cc1nc(C)c(CNc2nc(CCCCc3ccccn3)nc(Cl)c2C)s1,CHEMBL3746162,9.4
+Cc1nc(C)c(CNc2nc(CCCOc3ccccn3)nc(Cl)c2C)s1,CHEMBL3745991,8.51
+Cc1nc(C)c(CNc2nc(OCCCc3ccccn3)nc(Cl)c2C)s1,CHEMBL3746826,8.96
+CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,CHEMBL3770470,5.1
+CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)nc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,CHEMBL3770107,4.72
+CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,CHEMBL3769461,5.27
+CN1C(=O)c2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,CHEMBL3769817,5.57
diff --git a/chembl_200/CHEMBL4429.csv b/chembl_200/CHEMBL4429.csv
new file mode 100644
index 0000000000000000000000000000000000000000..ef1bc176709d669a42950cf82bd8f8d96233b6f0
--- /dev/null
+++ b/chembl_200/CHEMBL4429.csv
@@ -0,0 +1,439 @@
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O,CHEMBL437797,9.1
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+CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10284,8.245
+COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL429951,7.506
+CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9960,7.74
+COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,CHEMBL330366,6.7
+CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12,CHEMBL129683,7.13
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+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76093,6.17
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+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL307733,8.66
+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL312612,6.52
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL77042,7.96
+CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL308983,6.64
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL74956,9.52
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL306952,7.7
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78851,7.54
+CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O,CHEMBL77023,9.52
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL310273,9.3
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL76965,9.3
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL311712,6.51
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL307498,8.7
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL307877,6.75
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL76529,6.78
+CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1,CHEMBL306124,6.24
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL78284,9.4
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL404599,9.3
+CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL75479,7.93
+CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10160,7.49
+O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL274869,6.407
+O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL10039,5.78
+CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1,CHEMBL415968,7.807
+CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL418524,7.11
+O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL10031,6.89
+CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1,CHEMBL275017,8.27
+CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9971,7.52
+CC[C@H](NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113678,8.24
+CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL268046,6.323
+NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL273975,6.002999999999999
+CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113683,7.8
+CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113681,8.17
+CC[C@H](NC(=O)c1c(OCC(N)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113677,8.2
+O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL275095,6.87
+CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113679,8.33
+CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9955,6.303
+CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1,CHEMBL274163,7.287000000000001
+NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10295,5.94
+CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1,CHEMBL10134,8.183
+O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL10231,5.483
+CC[C@H](NC(=O)c1c(OCCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113676,8.07
+CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10020,7.52
+CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL274763,6.593
+O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL275316,6.313
+CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1,CHEMBL10512,7.887
+CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL429615,8.82
+O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL9961,6.693
+CN(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10314,5.97
+CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL430118,8.85
+CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10224,8.92
+CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10333,5.303
+COCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL274628,6.5
+CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113682,7.97
+CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL276386,7.31
+CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10517,6.82
+CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113673,8.74
+CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10303,8.66
+CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL274629,8.62
+CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9645,8.213
+CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL275544,8.607000000000001
+COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL9898,6.002999999999999
+CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL268042,7.587000000000001
+CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10162,8.66
+CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL276666,8.0
+CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL275259,7.313
+CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL2113684,7.43
+CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1,CHEMBL2113680,8.7
+CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL10536,6.53
+COC(=O)C(NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1,CHEMBL298185,6.19
+COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1,CHEMBL53884,5.92
+COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1,CHEMBL52496,6.31
+COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL432321,4.99
+COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1,CHEMBL53433,6.09
+COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1,CHEMBL51552,6.74
+COC(=O)C(NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1,CHEMBL52537,5.91
+COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1,CHEMBL300249,6.88
+COC(=O)C(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1,CHEMBL301564,7.18
+COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL295270,5.94
+COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL50742,6.04
+COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL53356,6.05
+COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL53699,5.78
+O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL51352,6.45
+COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1,CHEMBL53719,6.42
+COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1,CHEMBL49999,7.02
+COC(=O)C(NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1,CHEMBL53765,7.59
+COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1,CHEMBL297736,7.24
+COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL50346,5.21
+COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1,CHEMBL50453,5.72
+COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1,CHEMBL52960,5.73
+COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1,CHEMBL301278,6.63
+COC(=O)C(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL300869,5.97
+COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1,CHEMBL50291,6.18
+COC(=O)C(NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccccc1,CHEMBL54205,6.2
+COc1ccc2c(NC(=O)OCc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL52335,5.09
+COC(=O)C(NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12)c1ccccc1,CHEMBL416309,7.31
+COC(=O)C(NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1,CHEMBL51274,6.03
+COC(=O)C(NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1,CHEMBL299518,5.59
+COC(=O)C(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1,CHEMBL416487,5.65
+COc1ccc2c(C(=O)NC(C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL301603,5.29
+COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1,CHEMBL300967,6.93
+COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1,CHEMBL50571,6.74
+COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1,CHEMBL50302,7.11
+COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C,CHEMBL53489,5.21
+COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1,CHEMBL299973,6.1
+COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1,CHEMBL51120,6.06
+COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1,CHEMBL300180,6.85
+CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL339051,8.03
+COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@](C)=O)c1,CHEMBL340326,7.41
+CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL339767,5.04
+COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL129321,6.66
+CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL149326,7.01
+CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47275,8.15
+C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47179,8.34
+CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47544,8.82
+C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47412,8.47
+CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL33868,8.92
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,CHEMBL47775,8.72
+C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL47739,8.77
+CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12,CHEMBL296122,6.34
+CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1,CHEMBL45362,5.9
+C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL45129,9.1
+CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL295059,8.48
+CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL44722,8.66
+C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C(C)(C)C,CHEMBL295770,6.71
+CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL296857,8.92
+C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,CHEMBL432301,7.51
+CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47713,8.74
+CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12,CHEMBL297086,5.92
+CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL47408,8.33
+CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,CHEMBL45961,8.85
+CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL214388,5.7
+CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL379073,5.67
+CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,CHEMBL379072,6.2
+C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL212428,5.39
+NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1,CHEMBL225297,5.1
+O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,CHEMBL225588,5.9
+C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL453054,5.9
+C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL519914,5.42
+C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL447955,8.62
+Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1,CHEMBL520086,6.6
+CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O,CHEMBL479463,9.0
+CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1,CHEMBL519770,8.9
+CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1,CHEMBL521416,8.9
+CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1)S(C)(=O)=O,CHEMBL480249,8.8
+CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL480818,8.7
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1,CHEMBL479652,8.5
+CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1,CHEMBL516441,8.4
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1,CHEMBL517691,8.3
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1,CHEMBL517689,8.3
+CN(Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O,CHEMBL480248,8.2
+Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1,CHEMBL519790,8.2
+CC[C@H](NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1,CHEMBL479450,8.1
+Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1,CHEMBL482006,8.0
+Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1,CHEMBL480628,8.0
+CC[C@H](NC(=O)c1c(N)c(-c2ccccc2F)nc2ccccc12)c1ccccc1,CHEMBL479449,7.8
+CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O,CHEMBL583102,9.52
+CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1,CHEMBL565894,9.1
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567849,8.51
+CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL567198,7.98
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl,CHEMBL1086003,7.94
+COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1086004,7.03
+CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1082415,8.54
+CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1082735,7.91
+CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1084525,8.27
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl,CHEMBL1082737,9.04
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl,CHEMBL1084165,9.02
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl,CHEMBL1083051,7.82
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl,CHEMBL1084771,8.16
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl,CHEMBL1084522,8.08
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084434,8.11
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084435,7.53
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084523,9.13
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl,CHEMBL1083052,8.14
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084436,8.83
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084437,8.95
+COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1,CHEMBL1084438,7.53
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl,CHEMBL1084439,9.04
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1,CHEMBL1270786,6.53
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1,CHEMBL1269638,6.72
+CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1,CHEMBL1269639,6.43
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1,CHEMBL1269640,6.78
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1,CHEMBL1269641,7.0
+CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1,CHEMBL1271297,5.89
+CCC(NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1,CHEMBL1277889,8.4
+CCC(NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1,CHEMBL1277890,8.1
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1,CHEMBL1277971,8.3
+Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1,CHEMBL1277972,8.0
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1,CHEMBL1278058,8.5
+Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1F)C1CC1,CHEMBL1278059,8.3
+Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1,CHEMBL1278150,8.2
+CCCCC(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1,CHEMBL1277075,6.8
+CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1,CHEMBL1277808,8.7
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682624,8.23
+CC(=O)NC1(c2ccccc2)CCN(C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682625,7.08
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682626,7.7
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682627,7.74
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682628,8.28
+COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(NC(C)=O)(c2ccccc2)CC1,CHEMBL1682629,7.85
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682630,7.92
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682631,7.62
+COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1,CHEMBL1682632,7.48
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682633,7.3
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682634,8.24
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682635,7.96
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1681797,8.12
+COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1,CHEMBL1682636,7.82
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682637,8.34
+CSc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1,CHEMBL1682638,7.55
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682639,7.62
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682640,7.8
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682641,7.89
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682642,7.64
+COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1,CHEMBL1682643,8.23
+COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC,CHEMBL1682644,7.17
+COc1cc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1,CHEMBL1682645,7.49
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682646,7.15
+CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682647,7.85
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1,CHEMBL1682648,7.17
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1,CHEMBL1682649,7.44
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1,CHEMBL1682650,7.43
+COc1ccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1,CHEMBL1682651,6.46
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1,CHEMBL1682652,6.0
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C#N)cc2)CC1,CHEMBL1682653,6.57
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1,CHEMBL1682654,6.85
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1,CHEMBL1682655,7.49
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1,CHEMBL1682656,7.4
+COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1,CHEMBL1682657,7.25
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1,CHEMBL1682658,6.68
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C#N)c2)CC1,CHEMBL1682659,5.72
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1,CHEMBL1682660,7.33
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1,CHEMBL1682661,7.05
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1,CHEMBL1682662,8.14
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1,CHEMBL1682663,6.85
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccs2)CC1,CHEMBL1682664,7.03
+CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccsc2)CC1,CHEMBL1682665,6.96
+CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682666,8.38
+CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1,CHEMBL1682667,8.21
+COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682668,8.82
+CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682669,8.55
+CNC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682670,8.25
+CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NC(N)=O)(c2ccccc2)CC1,CHEMBL1682671,7.92
+CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(c2ccccc2)(N(C)C(=O)C(N)=O)CC1,CHEMBL1682672,8.44
+CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1,CHEMBL1682673,8.11
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1,CHEMBL1682674,8.48
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1,CHEMBL1682675,8.43
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1,CHEMBL1682676,8.74
+CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1,CHEMBL1682677,7.77
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1,CHEMBL1682678,8.14
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1,CHEMBL1682679,7.92
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1,CHEMBL1682680,8.12
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N2CCCC2)CC1,CHEMBL1682681,8.24
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1,CHEMBL1682682,8.06
+CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CC(N2CCN(S(=O)(=O)N(C)C)CC2)C1,CHEMBL1682683,8.72
+CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1,CHEMBL1682684,6.82
+CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1,CHEMBL1682685,6.85
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1,CHEMBL1760200,5.96
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760338,6.6
+COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760339,6.31
+CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760349,6.72
+COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760331,6.4
+O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1,CHEMBL1760332,7.7
+NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,CHEMBL1760333,6.62
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1,CHEMBL1760335,5.6
+COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1,CHEMBL1760336,5.8
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1,CHEMBL1760337,6.28
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1,CHEMBL1760198,6.92
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1,CHEMBL1760209,6.51
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1,CHEMBL1760210,6.29
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1,CHEMBL1760212,6.15
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1,CHEMBL1760213,6.59
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1,CHEMBL1760214,5.44
+COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1,CHEMBL1760217,5.54
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1,CHEMBL1760202,6.43
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C,CHEMBL1760204,6.62
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1,CHEMBL1760205,6.27
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1,CHEMBL1760206,6.43
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1,CHEMBL1760207,6.46
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1,CHEMBL1306947,5.74
+Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1911966,7.5
+Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1911968,9.0
+Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203703,8.54
+Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203709,8.46
+Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203708,8.62
+Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203707,8.92
+Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203706,7.92
+Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203705,8.82
+Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL2203704,8.77
+C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1471,6.34
+CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1,CHEMBL3104780,5.0
+CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1,CHEMBL3104778,5.0
+CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3104775,5.0
+CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1,CHEMBL3104774,5.0
+O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1,CHEMBL3104773,5.0
+CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1,CHEMBL3104769,5.0
+CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1,CHEMBL3104786,5.0
+CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3104782,6.0
+Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3104784,7.12
+CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288153,5.8
+CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288154,5.9
+CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288155,5.4
+CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288156,5.2
+CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288157,5.6
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288158,7.2
+CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288159,5.0
+CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288160,5.7
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288161,7.3
+CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288162,5.8
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288163,7.4
+CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288164,6.1
+CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1,CHEMBL3288165,7.7
+CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1,CHEMBL3286415,7.5
+CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1,CHEMBL3288166,6.0
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288167,8.6
+CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288168,6.9
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288169,8.1
+CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,CHEMBL3288170,7.6
+Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1,CHEMBL3422002,5.2
+Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1,CHEMBL3422001,5.8
+Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1,CHEMBL3422000,6.3
+Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,CHEMBL3421999,7.2
+C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1,CHEMBL3421998,6.1
+C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1,CHEMBL3421997,5.1
+O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421996,5.8
+Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1,CHEMBL3421995,4.8
+O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421994,6.3
+O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421991,5.3
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421990,5.7
+O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421989,5.9
+O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421985,5.3
+O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1,CHEMBL3421983,5.325
+N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1,CHEMBL3421982,7.11
+O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1,CHEMBL3422004,6.4
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1,CHEMBL3422005,7.0
+C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1,CHEMBL3422006,7.6
+Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422007,8.0
+Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422008,7.9
+C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1,CHEMBL3422009,8.7
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1,CHEMBL3422010,7.9
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1,CHEMBL3422011,6.5
+Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1,CHEMBL3422012,7.1
+C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1,CHEMBL3422013,7.1
+CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1,CHEMBL3422014,8.6
+CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1,CHEMBL3422015,8.5
+Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422016,8.2
+Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422017,7.6
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,CHEMBL3422018,8.5
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1,CHEMBL3608741,7.5
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1,CHEMBL3608740,7.3
+C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1,CHEMBL3608688,8.1
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1,CHEMBL3608687,7.7
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1,CHEMBL3608686,6.7
+C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1,CHEMBL3608685,5.9
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1,CHEMBL3608684,7.0
+CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,CHEMBL3608683,7.6
+Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,CHEMBL3608682,6.9
+Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1,CHEMBL3608681,5.0
+Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,CHEMBL3608680,7.6
+Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1,CHEMBL3648196,7.62
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648197,7.32
+CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1,CHEMBL3648198,8.14
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648199,7.21
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648200,7.45
+Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1,CHEMBL3648201,8.37
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648202,7.35
+COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1,CHEMBL3648203,7.25
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648204,7.06
+CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1,CHEMBL3648205,7.97
+CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1,CHEMBL3648206,7.65
+CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1,CHEMBL3648207,8.06
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648208,7.82
+Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1,CHEMBL3648209,7.82
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648210,8.43
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648211,8.64
+CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1,CHEMBL3648212,8.23
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648213,7.95
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648214,7.71
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648215,7.41
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648216,7.57
+Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1,CHEMBL3648217,7.58
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648218,8.36
+COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1,CHEMBL3648219,7.94
+C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3648220,7.03
+CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1,CHEMBL3680178,7.98
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680179,7.7
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680180,7.17
+CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1,CHEMBL3680181,7.94
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680182,7.06
+Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1,CHEMBL3680183,7.19
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680184,8.3
+Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1,CHEMBL3680185,7.89
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680186,8.68
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680187,8.42
+CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1,CHEMBL3680188,8.35
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680189,8.12
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680190,8.0
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680191,7.11
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680192,7.94
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680193,6.52
+Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1,CHEMBL3680194,7.45
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680195,8.55
+COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1,CHEMBL3680196,7.89
+CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1,CHEMBL3680197,6.56
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680198,7.5
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680199,7.98
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680200,7.36
+CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1,CHEMBL3639790,7.41
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680201,7.04
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680202,6.2
+CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1,CHEMBL3680203,7.29
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680204,6.46
+Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1,CHEMBL3680205,7.61
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680206,8.41
+CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1,CHEMBL3680207,8.09
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680208,8.0
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680209,7.7
+COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1,CHEMBL3680210,7.67
+CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1,CHEMBL3680211,6.0
diff --git a/chembl_200/CHEMBL4471.csv b/chembl_200/CHEMBL4471.csv
new file mode 100644
index 0000000000000000000000000000000000000000..94d729ed256718896ef541e250b32f299f4d692c
--- /dev/null
+++ b/chembl_200/CHEMBL4471.csv
@@ -0,0 +1,424 @@
+CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)CC2C(=O)O)C1,CHEMBL177078,7.72
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL145741,7.13
+COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL145795,6.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c1,CHEMBL357211,6.55
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1,CHEMBL435423,5.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)O)c1,CHEMBL1161260,5.54
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)C(=O)O)c1,CHEMBL1161256,4.52
+Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL142241,7.47
+COC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL145517,6.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,CHEMBL1161253,6.58
+CC1CCN(C(=O)[C@@H](N)Cc2cccc(C(=N)N)c2)CC1,CHEMBL358508,4.57
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL358970,8.21
+CC(C)OC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL356580,6.29
+CS(=O)(=O)N1CCN(C(=O)[C@@H](N)Cc2cccc(C(=N)N)c2)CC1,CHEMBL358999,4.89
+CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL358110,8.37
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCc3ccccc32)c1,CHEMBL356711,6.92
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C,CHEMBL144847,4.77
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1,CHEMBL344552,8.3
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1,CHEMBL145504,7.19
+CNC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL145250,5.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC(C(=O)O)=Cc3ccccc32)c1,CHEMBL1161263,4.46
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C=O)CC2)c1,CHEMBL145108,7.43
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCC2)cc1,CHEMBL358491,6.46
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)O)CC2)c1,CHEMBL1161245,6.24
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC[C@H](C(=O)OCc3ccccc3)C2)c(C(C)C)c1,CHEMBL358961,6.05
+CC(C)NC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL359422,5.21
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(N3CCCCC3)CC2)c1,CHEMBL609410,4.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,CHEMBL145630,7.68
+COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)c(C)c1C,CHEMBL143067,7.05
+COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL342542,6.82
+CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL356348,7.59
+COC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL143594,7.72
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL435621,7.59
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCc3ccccc3C2)c1,CHEMBL358366,7.43
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1,CHEMBL357635,5.51
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(=O)N2CCCCC2)c1,CHEMBL344104,6.64
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+CC(C)OC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL344790,6.96
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,CHEMBL356792,6.28
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)CO)CC2)c1,CHEMBL344283,7.24
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3cccnc23)CC1,CHEMBL342764,6.47
+CNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL143205,6.8
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1,CHEMBL356071,6.2
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1,CHEMBL145223,5.75
+CCCCOC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL342722,7.89
+COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL423555,7.16
+COC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL142924,6.55
+COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL145132,6.18
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2,CHEMBL145343,5.51
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[C@@H]3CCCC[C@H]32)c1,CHEMBL142747,6.49
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL439810,5.24
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC[C@H](C(=O)O)C2)c(C(C)C)c1,CHEMBL1161255,5.14
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL359184,4.36
+Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL141782,8.13
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)OCc2ccccc2)c1,CHEMBL145148,7.38
+CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1,CHEMBL343254,6.64
+COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL343892,7.77
+COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1,CHEMBL145655,6.74
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL358081,7.8
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1,CHEMBL1161247,7.74
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)OC3CCCCC3)CC2)c1,CHEMBL145173,5.68
+CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL142312,6.58
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C(=O)OCc3ccccc3)C2)c1,CHEMBL144993,6.52
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc(C)cc1,CHEMBL143501,4.74
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C=C2C(=O)O)c1,CHEMBL1161248,6.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)OCc3ccccc3)CC2)c1,CHEMBL358077,6.68
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCOCC2)cc1,CHEMBL356295,6.77
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)cc1,CHEMBL142417,7.59
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1,CHEMBL1161244,6.3
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1,CHEMBL145206,7.52
+CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1,CHEMBL357210,7.85
+COC(=O)[C@H]1[C@@H](C)CCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL356094,6.28
+CNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,CHEMBL143910,5.42
+CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(S(C)(=O)=O)CC3)cccc12,CHEMBL145664,8.38
+COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1C,CHEMBL423195,7.49
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1,CHEMBL142447,7.38
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C(=O)O)C2)c1,CHEMBL1161250,5.96
+CC(C)OC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL341636,6.15
+COC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL357660,7.02
+COC(=O)[C@H]1CCC[C@H](C)N1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL429002,6.38
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1,CHEMBL348255,6.55
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2)cc1,CHEMBL146492,6.47
+CCCCNC(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL444601,6.92
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)OCc2ccccc2)c1,CHEMBL358085,6.16
+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1,CHEMBL441406,6.82
+NC(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL265620,7.28
+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL269206,8.96
+CCCCN(C)C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL9423,7.39
+NNC(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL9415,8.82
+CNC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL268683,5.27
+NNC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL9111,5.36
+CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1,CHEMBL416329,6.61
+CNC(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,CHEMBL8980,7.34
+NC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL9491,8.19
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1,CHEMBL24097,4.64
+Cc1ccc(S(=O)(=O)NC(Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)cc1,CHEMBL1160522,5.89
+CC1CCN(C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@H](C)C3)C(C(=O)O)C1,CHEMBL315611,4.72
+CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2,CHEMBL239127,5.3
+CCCN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL347371,7.03
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1,CHEMBL434678,6.82
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1,CHEMBL348175,6.61
+NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CCO)C2CCCC2)cc1,CHEMBL155311,5.15
+CN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL7962,8.96
+NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(O)C2CCCC2)cc1,CHEMBL350901,6.44
+CCCCN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL155317,6.64
+CCCCN(C)C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1,CHEMBL440188,7.39
+CCN(C(=O)[C@H](Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,CHEMBL156082,8.4
+N=C(N)c1ccc(OCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL102148,5.68
+CCn1ccc2cc(C(=N)N)ccc21,CHEMBL322894,4.37
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)cc1,CHEMBL101067,4.61
+N=C(N)c1ccc(OCCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101672,5.65
+Cn1ccc2cc(C(=N)N)ccc21,CHEMBL101878,4.45
+CCC(=O)c1cc2ccc(C(=N)N)cc2[nH]1,CHEMBL321960,4.26
+N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)c(Cl)c1,CHEMBL102141,4.32
+N=C(N)c1ccc2c(ccn2Cc2cccc(N)c2)c1,CHEMBL319122,4.81
+N=C(N)c1ccc2c(ccn2Cc2ccc([N+](=O)[O-])cc2N)c1,CHEMBL101559,5.32
+N=C(N)c1ccc2[nH]ccc2c1,CHEMBL26490,5.11
+N=C(N)c1ccc(Cn2ccc3ccccc32)cc1,CHEMBL100569,4.88
+N=C(N)c1ccc(OCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL101261,5.56
+N=C(N)c1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2)c1,CHEMBL329730,5.19
+N=C(N)c1cccc(Cn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101726,4.65
+N=C(N)c1ccc2c(ccn2Cc2ccccc2)c1,CHEMBL101343,4.7
+N=C(N)c1ccc2nc(Oc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3)[nH]c2c1,CHEMBL102002,5.4
+N=C(N)c1ccc(OCCCCOc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL103649,5.51
+N=C(N)c1ccc2c(ccn2CCCCn2ccc3cc(C(=N)N)ccc32)c1,CHEMBL101027,4.95
+N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL99951,5.38
+N=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL51173,8.21
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL137780,4.6
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C(=N)N)cc1,CHEMBL135815,4.39
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1,CHEMBL135998,4.82
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL135041,4.34
+CCOC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1,CHEMBL336844,4.82
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1,CHEMBL135198,4.96
+COC(=O)C(Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL423699,5.41
+CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1,CHEMBL137311,6.35
+CNC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL346222,5.02
+CC(C)OC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1,CHEMBL423770,5.92
+NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,CHEMBL346607,8.22
+COC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,CHEMBL153565,5.41
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c(C(C)C)c1,CHEMBL154985,5.74
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1,CHEMBL153334,5.92
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL106079,7.12
+CCOC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL357067,6.66
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1,CHEMBL148317,5.96
+COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153412,6.82
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1,CHEMBL319868,6.3
+COC(=O)C1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL347493,7.77
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,CHEMBL356007,6.31
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,CHEMBL356216,7.59
+CC1CCN(C(=O)C(N)Cc2cccc(C(=N)N)c2)CC1,CHEMBL358387,4.57
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)cc1,CHEMBL422147,7.59
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,CHEMBL104970,6.28
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL348443,7.8
+NC(N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(N)N)cc3)C2=O)cc1,CHEMBL357079,6.49
+Cc1cc(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)c(C)c1,CHEMBL358441,7.23
+Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1,CHEMBL348266,6.47
+CC1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1,CHEMBL153732,6.89
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1,CHEMBL104241,7.19
+CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL97597,8.21
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,CHEMBL104426,5.12
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,CHEMBL318175,7.39
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1,CHEMBL322622,4.77
+CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1,CHEMBL318304,6.55
+CN(C)C(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107627,8.4
+CN(C)C(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL262805,8.06
+CN1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107429,7.44
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL104192,8.48
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccccc2)CC1,CHEMBL104930,6.66
+CN1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107911,7.8
+N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1,CHEMBL107282,7.43
+CCCCCC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL326013,5.19
+CCCCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322404,6.46
+CC1(C)C2CCC1(CCS(=O)(=O)NC(Cc1cccc(C(=N)N)c1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)C2,CHEMBL318177,7.715
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1,CHEMBL104157,5.25
+CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL421411,8.37
+CCCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107132,6.55
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL106111,5.8
+CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(C(=N)N)c1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)C2,CHEMBL319035,7.92
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1,CHEMBL104872,7.24
+COc1cc(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1C,CHEMBL105439,7.49
+CS(=O)(=O)N1CCN(C(=O)C(N)Cc2cccc(C(=N)N)c2)CC1,CHEMBL411506,4.89
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(Cc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL106718,7.66
+CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322901,7.92
+Cc1c(C)c(S(=O)(=O)N[C@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL107743,8.28
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL420476,7.43
+CS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1,CHEMBL321162,7.59
+CCCC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL450936,5.98
+CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL322437,6.17
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL105569,6.34
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1,CHEMBL317271,4.44
+CCS(=O)(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL323304,7.36
+Cc1c(C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2,CHEMBL317199,8.13
+COC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL320393,7.72
+N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1,CHEMBL320937,7.62
+N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C=O)CC2)c1,CHEMBL322165,7.64
+CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL107188,7.64
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+N#Cc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1,CHEMBL1172717,5.07
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+CN(C)Cc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441041,5.09
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+Nc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441043,5.0
+O=C(Nc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441044,5.47
+CS(=O)(=O)c1ccccc1COc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1,CHEMBL2441046,4.91
+CS(=O)(=O)c1cccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)c1,CHEMBL2441045,4.8
+CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1,CHEMBL2441047,6.91
+O=C(Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441048,4.57
+O=C(Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441049,5.23
+O=C(Nc1cccc(OCc2cccc(Br)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441050,4.68
+O=C(Nc1cccc(OCc2ccc(Br)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441051,5.69
+O=C(Nc1cccc(OCc2cccc(Cl)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441053,6.81
+O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441052,6.59
+O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441054,7.2
+O=C(Nc1cccc(OCc2ccc(F)cc2F)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441056,5.33
+O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441055,7.19
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441058,6.68
+O=C(Nc1cccc(OCc2ccccc2)c1)C1CCN(c2ccncc2)CC1,CHEMBL2441060,4.4
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1,CHEMBL2441062,4.57
+O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(Cc2ccncc2)CC1,CHEMBL2441064,4.82
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccccc3F)c2)CC1,CHEMBL3219072,8.7
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccccc3F)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219073,7.4
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)CC1,CHEMBL3219074,8.22
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219075,7.4
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)CC1,CHEMBL3219076,9.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219077,8.3
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1,CHEMBL3219078,9.0
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219079,7.7
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)CC1,CHEMBL3219080,8.4
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219081,7.7
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1,CHEMBL3219082,8.52
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1,CHEMBL3219083,7.52
+CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)c(Cl)c1,CHEMBL3219084,7.52
+CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(Cl)c1,CHEMBL3219085,6.4
+CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1,CHEMBL3219086,9.0
+COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1,CHEMBL3219087,7.52
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(N)=O)CC2)c1,CHEMBL3219088,6.85
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(N)=O)CC2)c1,CHEMBL3219089,5.01
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219090,7.4
+CNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219091,4.97
+CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219092,6.89
+CCNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1,CHEMBL3219093,4.82
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)Nc3ccccc3)CC2)c1,CHEMBL3219094,6.36
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1,CHEMBL3219095,5.03
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219096,6.33
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219097,4.44
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(=O)NCc3ccccc3)CC2)c1,CHEMBL3219098,6.64
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)c1,CHEMBL3219099,5.11
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1,CHEMBL3219100,9.1
+CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1,CHEMBL3219101,9.7
+COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c2)c(OC)c1,CHEMBL3219102,5.91
+N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1,CHEMBL3219103,6.2
+N=C(N)c1ccc2oc(CCc3cc4cc(C(=N)N)ccc4o3)cc2c1,CHEMBL279962,5.38
+Cc1cc(Nc2ccc(-c3ccc(-c4cc5cc(C(=N)N)ccc5o4)cc3)cc2)nc(N)n1,CHEMBL3251192,5.31
+N=C(N)c1ccc2nc(CCCCCCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL297809,5.37
+N=C(N)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3)[nH]c2c1,CHEMBL417907,5.11
+N=C(N)c1ccc(OCCOc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL3251191,5.85
+N=C(N)c1ccc(-c2cc3cc(C(=N)N)ccc3s2)cc1,CHEMBL352553,5.69
+N=C(N)c1cccc(-c2cc3ccc(C(=N)N)cc3[nH]2)c1,CHEMBL165312,5.61
+Cn1c(-c2ccc(C(=N)N)cc2)cc2ccc(C(=N)N)cc21,CHEMBL3251186,5.52
+N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2N)cc1,CHEMBL168077,5.51
+N=C(N)c1ccc(-n2cc3ccc(C(=N)N)cc3n2)cc1,CHEMBL3251535,5.0
+N=C(N)c1ccc2nc(CCCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL145656,4.1
+N=C(N)c1ccc2oc(/C=C/c3cc4cc(C(=N)N)ccc4o3)cc2c1,CHEMBL167255,5.38
+N=C(N)c1ccc(-n2cc3cc(C(=N)N)ccc3n2)cc1,CHEMBL1688696,4.61
+N=C(N)c1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(C(=N)N)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL3251527,5.4
+N=C(N)c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1,CHEMBL563834,5.33
+N=C(N)c1ccc(Oc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL289577,5.28
+N=C(N)c1ccc(-c2cc3cc(C(=N)N)ccc3[nH]2)cc1,CHEMBL167761,5.19
+N=C(N)c1ccc(Oc2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1,CHEMBL1233459,5.18
+N=C(N)c1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,CHEMBL167762,5.16
+N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3s2)cc1,CHEMBL352923,5.11
+N=C(N)c1ccc(-c2cn3cc(C(=N)N)ccc3n2)cc1,CHEMBL3251536,4.39
+N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1,CHEMBL48217,5.08
+N=C(N)c1ccc2c(c1)[nH]c1c3ccc(C(=N)N)cc3sc21,CHEMBL3244501,5.27
+N=C(N)c1ccc2oc(Cc3cc4cc(C(=N)N)ccc4o3)cc2c1,CHEMBL167845,5.0
+N=C(N)c1ccc(-c2csc3ccc(C(=N)N)cc23)cc1,CHEMBL352718,4.98
+N#[N+]c1c(-c2ccc(C(=N)N)cc2)[n-]c2cc(C(=N)N)ccc12,CHEMBL3251190,4.98
+N=C(N)c1ccc(-c2cc3cc(C(=N)N)ccc3o2)cc1,CHEMBL354342,4.95
+N=C(N)c1ccc2nc(CCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL356487,4.94
+Cc1c(-c2ccc(C(=N)N)cc2)n(C)c2cc(C(=N)N)ccc12,CHEMBL3251187,4.93
+N=C(N)c1ccc(NC(=O)c2cc3cc(C(=N)N)ccc3s2)cc1,CHEMBL164947,4.85
+Cc1c(-c2ccc(C(=N)N)cc2)[nH]c2cc(C(=N)N)ccc12,CHEMBL3251185,4.79
+N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)[nH]2)cc1,CHEMBL164489,4.75
+N=C(N)c1ccc(C2=Cc3ccc(C(=N)N)cc3S2(=O)=O)cc1,CHEMBL3251528,4.71
+N=C(N)c1ccc(-c2cc3cccc(C(=N)N)c3[nH]2)cc1,CHEMBL3251188,4.64
+N=C(N)c1ccc(-c2cn3ccc(C(=N)N)cc3n2)cc1,CHEMBL3251537,4.62
+N=C(N)c1ccc(C2=Cc3ccc(C(=N)N)cc3C2)cc1,CHEMBL167801,4.61
+N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cn3c2)cc1,CHEMBL3251538,4.56
+N=C(N)c1ccc2oc(-c3ccc(N)cc3)cc2c1,CHEMBL166236,4.55
+N=C(N)c1ccc(-c2noc3cc(C(=N)N)ccc23)cc1,CHEMBL3251533,4.25
+N=C(N)c1ccc(C2=Cc3cc(C(=N)N)ccc3S2(=O)=O)cc1,CHEMBL168138,4.35
+N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3o2)cc1,CHEMBL500330,4.27
+N=C(N)c1ccc(-c2cc3cc(C(=N)N)cc(C(=N)N)c3o2)cc1,CHEMBL3251194,4.27
+N=C(N)c1ccc2nc(CCCCCCCCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL52393,5.49
+N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3)on2)cc1,CHEMBL388768,4.18
+N=C(N)c1ccc2oc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2c1,CHEMBL3251534,5.86
+N=C(N)c1ccc2nc(CCCCCc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1,CHEMBL297403,5.01
+N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3)cc2)cc1,CHEMBL3277918,5.47
+N=C(N)c1cccc(OCc2ccc(COc3cccc(C(=N)N)c3)cc2)c1,CHEMBL3277919,5.3
+N=C(N)c1ccc(OCc2cccc(COc3ccc(C(=N)N)cc3)c2)cc1,CHEMBL3277920,5.32
+N=C(N)c1cccc(OCc2cccc(COc3cccc(C(=N)N)c3)c2)c1,CHEMBL3277921,5.34
+N=C(N)c1ccc(OCc2cccc(COc3ccc(C(=N)N)cc3I)c2)c(I)c1,CHEMBL547724,5.92
+N=C(N)c1ccc(OCc2c(Cl)c(Cl)c(COc3ccc(C(=N)N)cc3)c(Cl)c2Cl)cc1,CHEMBL3277924,5.17
+N=C(N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(C(=N)N)cc3)c2Cl)cc1,CHEMBL3277925,5.82
+N=C(N)c1ccc(COc2cccc3c(OCc4ccc(C(=N)N)cc4)cccc23)cc1,CHEMBL3277926,5.29
+N=C(N)c1cccc(COc2cccc3c(OCc4cccc(C(=N)N)c4)cccc23)c1,CHEMBL3277927,5.54
+N=C(N)c1ccc(COc2ccc3cc(OCc4ccc(C(=N)N)cc4)ccc3c2)cc1,CHEMBL3277928,5.22
+N=C(N)c1cccc(COc2ccc3cc(OCc4cccc(C(=N)N)c4)ccc3c2)c1,CHEMBL3277929,5.62
+N=C(N)c1cccc(OCc2ccc3cc(COc4cccc(C(=N)N)c4)ccc3c2)c1,CHEMBL3277930,5.29
+N=C(N)c1ccc(COc2ccc3ccc(OCc4ccc(C(=N)N)cc4)cc3c2)cc1,CHEMBL3277931,5.31
+N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3)c3ccccc23)cc1,CHEMBL3277932,5.18
+N=C(N)c1ccc(OCc2cc(COc3ccc(C(=N)N)cc3)c3ccccc3c2)cc1,CHEMBL3277933,5.28
+N=C(N)c1cccc(OCc2cccc(-c3cccc(COc4cccc(C(=N)N)c4)c3)c2)c1,CHEMBL3277936,5.78
+N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3Br)cc2)c(Br)c1,CHEMBL3277922,6.8
+N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3I)cc2)c(I)c1,CHEMBL3277923,6.96
+N=C(N)c1ccc(OCc2cccc(-c3cccc(COc4ccc(C(=N)N)cc4)c3)c2)cc1,CHEMBL3277934,6.24
+N=C(N)c1ccc(OCc2cccc(-c3cccc(COc4ccc(C(=N)N)cc4Br)c3)c2)c(Br)c1,CHEMBL3277935,6.57
+Nc1c(OCCCO)cccc1OCc1cc(-c2ccc(Cl)s2)on1,CHEMBL3343303,4.53
+Nc1ccccc1OCc1cc(-c2ccc(Cl)s2)on1,CHEMBL3343302,4.51
+CC(=O)OC[C@H]1O[C@@H](OCCCOc2cccc(OCc3cc(-c4ccc(Cl)s4)on3)c2NC(=O)C2CCN(C(C)C)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,CHEMBL3343300,6.8
diff --git a/chembl_200/CHEMBL4482.csv b/chembl_200/CHEMBL4482.csv
new file mode 100644
index 0000000000000000000000000000000000000000..753b1462710a6f60f0aa5c9ec97c8740bb7a9f41
--- /dev/null
+++ b/chembl_200/CHEMBL4482.csv
@@ -0,0 +1,354 @@
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.0
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,5.4
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,6.1
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,5.7
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.9
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.9
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.2
+c1cc2n[nH]cc2cc1-c1cn[nH]n1,CHEMBL1682344,4.16
+Fc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1682350,4.88
+Clc1cccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c1Cl,CHEMBL1682354,4.17
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,5.45
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.4
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.8
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,5.4
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,6.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.8
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.5
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.5
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,5.9
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.6
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,5.5
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.9
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.2
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.2
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,5.6
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.3
+CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(=O)n2[nH]1,CHEMBL1974480,5.4
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.2
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.7
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,5.7
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.3
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.9
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.7
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.5
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.5
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,5.8
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.2
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.5
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,5.8
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.0
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.3
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,5.7
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.3
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,5.5
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.5
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,6.4
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,5.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,5.5
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,6.1
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,7.0
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.8
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.8
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,7.1
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,5.4
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.6
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.4
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.3
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.8
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.4
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.0
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,5.3
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.5
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.2
+Cc1cc(=O)nc2[nH][nH]c(-c3cccc(-c4ccc(Cl)cc4)c3)c1-2,CHEMBL1990590,5.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.2
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.6
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.8
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.1
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.0
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,5.9
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.2
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.8
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,7.1
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.9
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.7
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,6.1
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.8
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.3
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.9
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.4
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.1
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.9
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.3
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.2
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,5.5
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.0
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.1
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.0
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.3
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.7
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.0
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,5.4
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.4
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.3
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,5.9
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,5.4
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,5.6
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,5.6
+COc1cc(OC)cc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL2002613,5.6
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.8
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.9
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.0
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.6
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,4.1
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.4
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,5.4
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.7
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,8.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,6.8
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.5
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.1
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.3
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.7
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.5
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,6.3
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.3
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.4
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.7
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.8
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,5.5
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.5
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,5.8
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.7
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.6
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.5
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.4
+CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1979773,5.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.2
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.0
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.7
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.2
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.4
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,6.9
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.0
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.1
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,5.7
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.2
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.0
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.6
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.5
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.3
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,5.8
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.7
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.4
+CCOc1ccccc1-c1cccc(-c2[nH][nH]c3nc(=O)cc(C)c2-3)c1,CHEMBL1983070,6.3
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,5.9
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.5
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.4
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,5.4
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,5.7
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,6.0
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.1
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,5.6
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1,CHEMBL2007559,6.3
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.9
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.0
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.5
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.7
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.0
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.3
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.0
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.6
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,5.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.2
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.1
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,6.6
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.6
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.5
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.1
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,5.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,5.5
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.4
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.2
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.1
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,6.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,5.5
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.9
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.0
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,5.3
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.1
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,6.1
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,5.6
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.7
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.5
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.3
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.4
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.7
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.7
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.3
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.8
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.1
+CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1,CHEMBL2064555,8.22
+CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(-c6ccccn6)cc5)cc4[nH]3)c2c1)c1ccccc1,CHEMBL2064556,8.55
+CN1CCN(C(=O)N2Cc3c(n[nH]c3NC(=O)c3cccc(Oc4ccccc4)c3)C2(C)C)[C@@H](Cc2ccccc2)C1,CHEMBL2064557,7.19
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C)c1ccccc1,CHEMBL2064558,7.52
+CN(C)C[C@H](c1ccccc1)N(C)C(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C,CHEMBL2064559,6.29
+CN1CCN(C(=O)N2Cc3c(n[nH]c3NC(=O)c3ccccc3)C2(C)C)C(c2ccccc2)C1,CHEMBL2064560,6.68
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2)C1(C)C)c1ccccc1,CHEMBL2064561,7.92
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccc(F)cc2)C1(C)C)c1ccccc1,CHEMBL2064562,7.89
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccc2F)C1(C)C)c1ccccc1,CHEMBL2064563,7.01
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccc(F)cc2F)C1(C)C)c1ccccc1,CHEMBL2064564,7.17
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)c2ccccn2)C1(C)C)c1ccccc1,CHEMBL2064565,7.51
+COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1,CHEMBL3128042,8.48
+Cc1cc([C@](C)(O)C#Cc2ccc3nc(C)n(-c4ncnc(N)n4)c3c2)no1,CHEMBL3128052,7.49
+COCCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ccnc(N)n1,CHEMBL3128041,6.85
+CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1,CHEMBL3128057,6.92
+CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1,CHEMBL3128056,5.89
+CCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1,CHEMBL3128055,7.22
+Cc1nc2ccc(C#C[C@@](C)(O)c3nccs3)cc2n1-c1ncnc(N)n1,CHEMBL3128053,6.22
+Cc1nc2ccc(C#C[C@@]3(O)C[C@@H]4CC[C@H]3C4)cc2n1-c1ncnc(N)n1,CHEMBL3128051,6.72
+Cc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ncnc(N)n1,CHEMBL3128050,7.17
+Cc1nc2ccc(C#CC(C)(O)CC3CC3)cc2n1-c1ncnc(N)n1,CHEMBL3128047,6.17
+Cc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1,CHEMBL3128044,6.3
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1,CHEMBL3128043,7.695
+CCN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CC3)n[nH]2)n1,CHEMBL3580976,6.26
+CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CC3)n[nH]2)n1,CHEMBL3580975,6.57
+Clc1c(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)ccc2nc[nH]c12,CHEMBL3580974,6.34
+Fc1c(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)ccc2nc[nH]c12,CHEMBL3580973,5.96
+C[C@H](Nc1nccc(Nc2cc(C3CC3)n[nH]2)n1)c1ccc2nc[nH]c2c1,CHEMBL3580972,6.97
+Cn1cnc2ccc(CNc3nccc(Nc4cc(C5CC5)n[nH]4)n3)cc21,CHEMBL3580971,5.72
+Cn1cnc2cc(CNc3nccc(Nc4cc(C5CC5)n[nH]4)n3)ccc21,CHEMBL3580970,5.78
+c1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2ccc3nc[nH]c3c2)n1,CHEMBL3580969,6.02
+C[C@H](Nc1nccc(Nc2cc(C3CC3)n[nH]2)n1)c1ccc2[nH]ccc2c1,CHEMBL3580968,7.38
+c1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2ccc3[nH]ccc3c2)n1,CHEMBL3580967,6.84
+CN(C)c1ccc(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)cn1,CHEMBL3580966,6.04
+CNc1ccc(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)cn1,CHEMBL3580965,6.21
+Nc1ccc(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)cn1,CHEMBL3580964,6.25
+N[C@H]1CC[C@@H](CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)CC1,CHEMBL3580963,8.4
+N[C@H]1CC[C@H](CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)CC1,CHEMBL3580962,7.42
+N[C@H]1CC[C@H](Nc2nccc(Nc3cc(C4CC4)n[nH]3)n2)CC1,CHEMBL3580961,7.0
+c1cc(Nc2cc(C3CC3)n[nH]2)nc(NCC2CCNCC2)n1,CHEMBL3580960,7.1
+NC1CCN(c2cc(Nc3cc(C4CC4)n[nH]3)ccn2)CC1,CHEMBL3580959,5.74
+NC1CCN(c2cccc(Nc3cc(C4CC4)n[nH]3)n2)CC1,CHEMBL3580958,6.21
+NC1CCN(c2nccc(Nc3cc(C4CC4)n[nH]3)n2)CC1,CHEMBL3580957,6.55
+NC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)c3occc3n2)CC1,CHEMBL3580956,7.35
+NC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)CC1,CHEMBL3580949,7.92
+CC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)CC1,CHEMBL3580948,7.31
+N[C@H]1[C@@H]2CN(c3nc(Nc4cc(C5CC5)n[nH]4)c4sccc4n3)C[C@H]12,CHEMBL3580667,8.7
+Clc1c(CNc2nccc(Nc3cc(C4CCCO4)n[nH]3)n2)ccc2nc[nH]c12,CHEMBL3593823,5.89
+CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CCC(=O)C3)n[nH]2)n1,CHEMBL3593824,6.2
+COCC(C)c1cc(Nc2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)n2)[nH]n1,CHEMBL3593825,6.21
+CN1CC[C@H](c2cc(Nc3ccnc(N(C)Cc4ccc5nc[nH]c5c4Cl)n3)[nH]n2)C1=O,CHEMBL3594175,6.02
+CN1CC[C@H](c2cc(Nc3ccnc(NC[C@H]4CC[C@H](N)CC4)n3)[nH]n2)C1=O,CHEMBL3594176,5.9
+CN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)[nH]n2)C1=O,CHEMBL3594177,6.46
+CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([C@H]3CCN(C)C3=O)n[nH]2)n1,CHEMBL3594178,6.21
+CN1CCCC(c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)[nH]n2)C1=O,CHEMBL3594179,5.6
+CCN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)[nH]n2)C1=O,CHEMBL3594180,6.09
+C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(N(C)C[C@H]3CC[C@H](N)CC3)n2)[nH]n1,CHEMBL3594181,5.99
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1,CHEMBL3664542,8.46
+CC1(C)c2n[nH]c(Nc3ncnc4ccsc34)c2CN1C(=O)N[C@H]1CC1c1ccccc1,CHEMBL3674607,7.39
+CC1(C)c2n[nH]c(Nc3nc(Cl)nc4ccsc34)c2CN1C(=O)NC1CC1c1ccccc1,CHEMBL3669579,7.85
+CN1CCN(C(=O)N2Cc3c(n[nH]c3Nc3nc(Cl)nc4ccsc34)C2(C)C)[C@@H](Cc2ccccc2)C1,CHEMBL3669580,7.96
+CC1(C)c2n[nH]c(Nc3cc(Cl)nc(Cl)n3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1,CHEMBL3669581,6.96
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3ccsc23)C1(C)C)c1ccccc1,CHEMBL3669582,6.66
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2nc(Cl)nc3ccsc23)C1(C)C)c1ccccc1,CHEMBL3669583,8.55
+CCCOc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1,CHEMBL3669584,7.06
+CC1(C)c2n[nH]c(Nc3nc(N)nc(Cl)n3)c2CN1C(=O)NC1CC1c1ccccc1,CHEMBL3669585,6.21
+CC1(C)c2n[nH]c(Nc3nc(Cl)nc(Cl)n3)c2CN1C(=O)NC1CC1c1ccccc1,CHEMBL3669586,6.57
+COc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1,CHEMBL3669587,6.92
+CSc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)cc(C(F)(F)F)n1,CHEMBL3669588,6.02
+CC1(C)c2n[nH]c(Nc3nc(Cl)nc4ccccc34)c2CN1C(=O)NC1CC1c1ccccc1,CHEMBL3669589,7.42
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(OC)n1,CHEMBL3669591,6.57
+CN(C)c1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1,CHEMBL3669592,7.05
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1,CHEMBL3669593,7.12
+CNC(=O)[C@@H]1CCCN1c1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(OC)n1,CHEMBL3669594,6.11
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CC2C)n1,CHEMBL3669595,6.47
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2)n1,CHEMBL3669596,6.72
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2C#N)n1,CHEMBL3674612,7.05
+COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2C(N)=O)n1,CHEMBL3669597,6.62
+CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2C(N)=O)n1,CHEMBL3669598,6.14
+CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1,CHEMBL3669599,6.85
+Cc1cc(C)nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1,CHEMBL3669600,6.19
+CC1(C)c2n[nH]c(Nc3cc(C(F)(F)F)ccn3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1,CHEMBL3669601,6.11
+Cc1cc(C(F)(F)F)cc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1,CHEMBL3669602,6.66
+CC1(C)c2n[nH]c(Nc3cccc(C(F)(F)F)n3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1,CHEMBL3669603,6.7
+CC1(C)c2n[nH]c(Nc3nccc(C(F)(F)F)n3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1,CHEMBL3669604,6.57
+[C-]#[N+]c1ccnc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)c1,CHEMBL3669605,6.18
+CC1(C)c2n[nH]c(Nc3ccnc(C(F)(F)F)n3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1,CHEMBL3669606,7.1
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1,CHEMBL3669607,7.92
+CC1(C)c2n[nH]c(Nc3ccnc(C#N)n3)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1,CHEMBL3639684,7.33
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N2CCOCC2)n1,CHEMBL3669608,7.68
+Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1,CHEMBL3669609,6.59
+CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1,CHEMBL3669611,6.57
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N(C)C)n1,CHEMBL3669612,7.02
+CC1(C)c2n[nH]c(Nc3nc(C#N)nc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1,CHEMBL3669614,7.74
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1,CHEMBL3669615,7.62
+COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1,CHEMBL3669617,6.35
+Cc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1,CHEMBL3669618,6.64
+CC1(C)c2n[nH]c(Nc3nc(C(F)(F)F)nc4ccsc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1,CHEMBL3669619,7.6
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2ccsc2n1,CHEMBL3669620,6.43
+CC1(C)c2n[nH]c(Nc3ncncc3F)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1,CHEMBL3669621,6.0
+Cc1csc2c(Nc3[nH]nc4c3CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C4(C)C)ncnc12,CHEMBL3669622,6.8
+CC1(C)c2n[nH]c(Nc3ncnc4ccsc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1,CHEMBL3669623,7.74
+CC1(C)c2n[nH]c(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1,CHEMBL3664512,7.17
+CCc1cc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)ncn1,CHEMBL3669624,6.85
+Cc1ncnc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c1F,CHEMBL3669626,6.62
+CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1,CHEMBL3669628,6.77
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C#N)n2)C1(C)C)c1ccccc1,CHEMBL3669629,7.4
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1,CHEMBL3669630,7.66
+Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1,CHEMBL3669631,7.82
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2nc(C#N)nc3ccccc23)C1(C)C)c1ccccc1,CHEMBL3669632,8.52
+Cc1nccc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1,CHEMBL3669633,6.17
+COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1,CHEMBL3669634,6.77
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncncc2F)C1(C)C)c1ccccc1,CHEMBL3669635,6.55
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3ccsc23)C1(C)C)c1ccccc1,CHEMBL3669636,8.17
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2ccsc2n1,CHEMBL3674593,8.72
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C#N)n2)C1(C)C)c1ccccc1,CHEMBL3674594,8.06
+Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)O[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1,CHEMBL3674595,8.28
+CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1,CHEMBL3674596,7.8
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1,CHEMBL3674597,8.8
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2nc(C#N)nc3ccccc23)C1(C)C)c1ccccc1,CHEMBL3674598,8.44
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1,CHEMBL3674599,8.28
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C(F)(F)F)n2)C1(C)C)c1ccccc1,CHEMBL3674600,8.08
+Cc1ncnc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c1F,CHEMBL3674601,7.03
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3c2ncn3C)C1(C)C)c1ccccc1,CHEMBL3674602,6.48
+COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1,CHEMBL3674603,7.41
+CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncncc2F)C1(C)C)c1ccccc1,CHEMBL3674604,6.92
+Cc1csc2c(Nc3[nH]nc4c3CN(C(=O)N3C[C@@H]5CCCN5C[C@@H]3C)C4(C)C)ncnc12,CHEMBL3674605,7.08
+Cc1ncnc(Nc2[nH]nc3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)c1F,CHEMBL3674606,5.6
+CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3ccoc23)C1(C)C)c1ccccc1,CHEMBL3674608,7.24
+Cc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1,CHEMBL3674609,7.47
+CC1(C)c2n[nH]c(Nc3ncnc4ccccc34)c2CN1C(=O)NC1C[C@H]1c1ccccc1,CHEMBL3674610,7.0
+CC1(C)c2n[nH]c(Nc3nc(C4CC4)nc4ccccc34)c2CN1C(=O)NC1C[C@H]1c1ccccc1,CHEMBL3674611,7.26
+c1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2ccc3[nH]ccc3n2)n1,CHEMBL3824075,6.3
diff --git a/chembl_200/CHEMBL4501.csv b/chembl_200/CHEMBL4501.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6a62e34ad1a382bfc53fb791ba7f3eabb74c2b00
--- /dev/null
+++ b/chembl_200/CHEMBL4501.csv
@@ -0,0 +1,376 @@
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.3
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,5.5
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,5.5
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,6.3
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,5.4
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.9
+COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,CHEMBL259850,5.3
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,6.0
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.4
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.105
+Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1078717,6.27
+CCn1c(-c2nonc2N)nc2ccccc21,CHEMBL365286,7.3
+CC(C)n1c(-c2nonc2N)nc2ccccc21,CHEMBL1079208,7.4
+Nc1nonc1-c1nc2ccccc2n1C1CC1,CHEMBL1079293,7.02
+Nc1nonc1-c1nc2ccccc2n1C1CCC1,CHEMBL1079294,8.4
+Nc1nonc1-c1nc2ccccc2n1C1CCCC1,CHEMBL1079295,7.89
+Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,CHEMBL1078929,7.92
+Nc1nonc1-c1nc2ccccc2n1CC1CC1,CHEMBL1078930,7.92
+Nc1nonc1-c1nc2ccccc2n1CC1CCC1,CHEMBL1078820,7.16
+CC(C)Cn1c(-c2nonc2N)nc2ccccc21,CHEMBL1079040,7.66
+Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,CHEMBL1078426,6.96
+N#Cc1ccccc1-n1c(-c2nonc2N)nc2ccccc21,CHEMBL1078427,7.59
+N#Cc1cccc(-n2c(-c3nonc3N)nc3ccccc32)c1,CHEMBL1078537,6.1
+N#Cc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1,CHEMBL1078538,6.1
+COc1ccccc1-n1c(-c2nonc2N)nc2ccccc21,CHEMBL1078539,7.51
+COc1cccc(-n2c(-c3nonc3N)nc3ccccc32)c1,CHEMBL1078155,5.72
+COc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1,CHEMBL1078245,6.26
+COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080072,7.41
+COC(=O)c1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080073,6.39
+CC(=O)Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080245,5.66
+Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1079135,7.72
+Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1,CHEMBL1080970,7.8
+CC(C)Cn1cc(-c2ccccc2)nc1-c1nonc1N,CHEMBL1079243,7.05
+Cc1cn(CC(C)C)c(-c2nonc2N)n1,CHEMBL1077670,6.47
+CC(C)Cn1cc(C#N)nc1-c1nonc1N,CHEMBL1082061,5.8
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.0
+Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,CHEMBL101253,5.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,6.7
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.7
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.0
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.6
+COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,CHEMBL2003768,5.7
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.0
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.5
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,4.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.7
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,7.3
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1,CHEMBL1973145,5.3
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.0
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.3
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,6.9
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,6.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.4
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.0
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.3
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.5
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.1
+CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N,CHEMBL210618,5.5
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,7.8
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.3
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.9
+COc1ccc(OC)c(CNC(=O)c2cc(N)c(C#N)c(OC(C)C)n2)c1,CHEMBL1982541,6.3
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,CHEMBL1983449,6.7
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,5.2
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,7.7
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.1
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.3
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.7
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,5.2
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,5.4
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.7
+O=c1[nH]cc(I)c2nc(-c3ccccc3)cn12,CHEMBL2001668,5.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,7.6
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,5.8
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,6.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.2
+NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4n[nH]cc4c3)on2)C1,CHEMBL1970369,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.0
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,6.4
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,6.2
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.7
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.4
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.2
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,7.2
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,6.0
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,5.9
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.9
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,7.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.55
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,6.4
+Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1968103,5.7
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,5.3
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.3
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.5
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.5
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.3
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.4
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.6
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,6.8
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1,CHEMBL1979855,6.8
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,6.9
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,6.1
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,6.7
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,7.3
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,7.1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,6.8
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,6.6
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,CHEMBL1969049,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.9
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.7
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,7.2
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.4
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.3
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,7.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,7.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.8
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.3
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.9
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,6.0
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,5.6
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.6
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.7
+O=C(NCc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1,CHEMBL1970709,7.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.3
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,6.3
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.6
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.2
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,5.2
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,6.6
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.5
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,6.4
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,CHEMBL2004872,5.4
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.4
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,6.0
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.8
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.8
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,7.7
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.1
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,7.3
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.7
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.7
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,5.3
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.9
+O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,5.8
+FC(F)(F)c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C(F)(F)F)c1,CHEMBL1964413,8.4
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,7.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,5.5
+O=C(c1cc(-c2ccc3n[nH]cc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,5.3
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,8.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,6.0
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.8
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,6.3
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.9
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.9
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,8.5
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.6
+CCn1c(=C(C#N)C(=O)O)sc(=CNc2ccccc2)c1=O,CHEMBL1986996,5.2
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.5
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,5.5
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,7.0
+CCCCNc1ccc2c3c(cccc13)C(=O)N(CCNCCO)C2=O,CHEMBL1987359,5.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,7.0
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,5.4
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,7.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.5
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.5
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.6
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,5.2
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,6.5
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,6.7
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.2
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.9
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.5
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.1
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,7.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.4
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,8.6
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,6.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.1
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,7.7
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.4
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,7.9
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.5
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.9
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,5.4
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.7
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,7.4
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,6.2
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,5.6
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.8
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.6
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,7.3
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.5
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,CHEMBL2006188,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.0
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.2
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.4
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,6.5
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.7
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.3
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,6.5
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,6.8
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.3
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,5.7
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.9
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.2
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,5.6
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.4
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,6.1
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.6
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.2
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,5.9
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.3
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,6.0
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,6.3
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.3
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.9
+COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,CHEMBL1984633,5.9
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.4
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.3
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.6
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.3
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.2
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.5
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.9
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,6.3
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.9
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,CHEMBL1991846,5.6
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.7
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.9
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.2
+Cc1c(O)ccc2c1CCCC2=NNC(=O)Cc1cccc2ccccc12,CHEMBL1972659,5.7
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.4
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,8.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,6.4
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.8
+c1cc2n[nH]cc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,5.5
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,7.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,6.5
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,7.3
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,7.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.4
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,5.5
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.7
+COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL2004072,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.5
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.4
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.6
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,5.5
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.7
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.9
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.3
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.6
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,6.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1,CHEMBL1992242,5.6
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.2
+O=C(Cc1cccc2cnccc12)NCc1ccc(Br)cc1,CHEMBL1970300,5.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,5.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.7
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.0
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,7.4
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.9
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,5.6
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.9
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,8.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,8.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N,CHEMBL1985566,5.7
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.9
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.3
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,CHEMBL2004355,5.7
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.2
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.4
+Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12,CHEMBL2004438,6.4
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.2
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.8
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.4
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.7
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.4
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.2
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.0
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.6
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,7.6
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.8
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,7.0
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.6
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,6.0
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.2
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.3
+CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825138,5.8
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.5
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.6
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.6
+CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12,CHEMBL1990541,5.6
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.1
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.4
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,6.3
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,6.1
+c1ccc(CNc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682546,6.7
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.9
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.5
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,8.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.3
+COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL202635,5.2
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,6.6
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,5.8
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.3
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.9
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.5
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,6.1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,6.5
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,6.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,7.3
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.1
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.0
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,6.0
diff --git a/chembl_200/CHEMBL4550.csv b/chembl_200/CHEMBL4550.csv
new file mode 100644
index 0000000000000000000000000000000000000000..42ee6ad313a7d2e8b1cbe4aaa3a5380cfddc45a0
--- /dev/null
+++ b/chembl_200/CHEMBL4550.csv
@@ -0,0 +1,1407 @@
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678307,8.275
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3683285,6.29
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3683284,8.8
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Br)c1,CHEMBL3678308,7.8
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1)C(=O)O,CHEMBL3678309,6.35
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1OC(F)(F)F)C(=O)O,CHEMBL3678310,6.35
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)O,CHEMBL3678311,6.46
+CC1(C)CCCC1(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3678312,8.52
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F)C(=O)O,CHEMBL3678313,7.26
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)cc1F)C(=O)O,CHEMBL3678314,7.15
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)cc1F,CHEMBL3678315,7.1
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1Cl)C(=O)O,CHEMBL3678316,7.11
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1Cl,CHEMBL3678317,7.43
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F,CHEMBL3678318,8.57
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F,CHEMBL3678319,8.15
+O=C(O)[C@@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F,CHEMBL3639771,7.92
+CC1(C)CCC(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)(C(=O)O)C1,CHEMBL3678320,8.04
+Cc1nc(-c2ccc(Cn3c(C4CCCC[C@@H]4C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)no1,CHEMBL3678321,7.77
+CCC(CC)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2noc(C)n2)cc1)C(=O)O,CHEMBL3678322,7.12
+Cc1nc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)no1,CHEMBL3678323,6.92
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)CCc2ccccc21,CHEMBL3678324,7.57
+CCC(CC)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3678325,7.85
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)Cc2ccccc2C1,CHEMBL3678326,7.85
+CCn1nc(Cn2c([C@H]3[C@@H](C(=O)O)C3(C)C)nc3cc(OCc4ccc5ccccc5n4)ccc32)c2ccccc21,CHEMBL3678327,6.55
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3678328,7.26
+CC(C)(Cc1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3678329,7.33
+CC(C)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3678330,7.12
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)CCCC1,CHEMBL3678331,7.96
+CC(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)(C(=O)O)c1ccccc1,CHEMBL3678332,7.18
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1Br)C(=O)O,CHEMBL3678334,6.82
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Br)c1)C(=O)O,CHEMBL3678335,7.0
+N#Cc1ccc(Cn2c(C3CCCC[C@H]3C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678336,8.32
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1,CHEMBL3678337,8.05
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1OC(F)(F)F,CHEMBL3678338,7.28
+Cc1ccccc1Cn1c([C@@H]2CCCC[C@@H]2C(=O)O)nc2cc(OCc3ccc4ccccc4n3)ccc21,CHEMBL3678339,8.24
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1C(F)(F)F,CHEMBL3678340,6.7
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)c(F)c1,CHEMBL3678341,7.72
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F,CHEMBL3678342,8.29
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F,CHEMBL3683286,6.2
+Cc1ccc(Cn2c(C3CCCC[C@H]3C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678343,8.08
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1,CHEMBL3678344,8.105
+N#Cc1cccc(Cn2c(C3CCCC[C@H]3C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678345,7.37
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1,CHEMBL3678346,7.27
+Cc1cccc(Cn2c(C3CCCC[C@@H]3C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678347,8.01
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL3678348,7.52
+N#Cc1ccccc1Cn1c([C@@H]2CCCC[C@@H]2C(=O)O)nc2cc(OCc3ccc4ccccc4n3)ccc21,CHEMBL3678349,6.32
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678350,8.24
+O=C(O)[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cccc(F)c4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678351,7.15
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cccc(F)c4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678352,7.36
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678353,6.49
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cc(Cl)ccc4n3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3678354,7.14
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(C(F)(F)F)cc2)CCCC1,CHEMBL3678355,7.66
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(F)cc2)CCCC1,CHEMBL3678356,8.03
+COc1ccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678357,7.43
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(OC(F)(F)F)cc2)CCCC1,CHEMBL3678358,7.77
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccccn2)CCCC1,CHEMBL3678359,5.7
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccnc2)CCCC1,CHEMBL3678360,6.08
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Cl)cc2)CCCC1,CHEMBL3678361,8.03
+CCC(c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)O)nc2cc(OCc3ccc4ccccc4n3)ccc21,CHEMBL3678362,5.93
+Cc1ccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678363,6.82
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)cc1)C(=O)O,CHEMBL3678364,7.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Cl)c1)C(=O)O,CHEMBL3678365,6.89
+Cc1cccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678366,6.96
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1Cl)C(=O)O,CHEMBL3678367,6.8
+COc1ccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678368,6.19
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3678369,6.77
+CC(c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)O)nc2cc(OCc3ccc4ccccc4n3)ccc21,CHEMBL3678370,6.03
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)c(Cl)c1)C(=O)O,CHEMBL3678371,7.36
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)c(C(F)(F)F)c1)C(=O)O,CHEMBL3678372,6.85
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)c(Cl)c1)C(=O)O,CHEMBL3678373,7.32
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1)C(=O)O,CHEMBL3678374,6.77
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1)C(=O)O,CHEMBL3678375,6.32
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(CN2CCCC(F)(F)C2)cc1)C(=O)O,CHEMBL3678376,5.96
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ccccc2c1)C(=O)O,CHEMBL3678377,6.04
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ncccc2c1)C(=O)O,CHEMBL3678378,6.7
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ncsc2c1)C(=O)O,CHEMBL3678379,6.12
+CN1CCCc2cc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)ccc21,CHEMBL3678380,5.82
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(S(C)(=O)=O)c1)C(=O)O,CHEMBL3678381,5.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2nonc2c1)C(=O)O,CHEMBL3678382,6.09
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2cnccc2c1)C(=O)O,CHEMBL3678383,5.6
+Cn1ncc2cc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)ccc21,CHEMBL3678384,5.65
+[C-]#[N+]c1ccc(Cn2c(C3[C@H](C(=O)O)C3(C)C)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678385,7.13
+[C-]#[N+]c1ccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678386,7.41
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(Br)c2)CCCC1,CHEMBL3678387,7.85
+N#Cc1cccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678388,7.02
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccccc3)c2)CCCC1,CHEMBL3678389,7.89
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)cc3)c2)CCCC1,CHEMBL3678390,7.57
+Cc1ccc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cc1,CHEMBL3678391,7.89
+COc1ncc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,CHEMBL3678392,7.92
+COc1ccc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,CHEMBL3678393,7.85
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)c(F)c3)c2)CCCC1,CHEMBL3678394,7.7
+CS(=O)(=O)Nc1ccc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cc1,CHEMBL3678395,8.29
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3cscn3)c2)CCCC1,CHEMBL3678396,7.89
+Cn1cc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,CHEMBL3678397,8.12
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccoc3)c2)CCCC1,CHEMBL3678398,7.82
+Cc1noc(C)c1-c1cccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678399,7.36
+COc1ccc(-c2ccc(Cn3c([C@@H]4CC4(C)C)nc4cc(OCc5ccc6ccccc6n5)ccc43)c(F)c2)cn1,CHEMBL3678400,6.39
+CC1(C)C(c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1C(=O)O,CHEMBL3678401,6.92
+CC1(C)C(c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)c(F)c3)cc2F)[C@@H]1C(=O)O,CHEMBL3678402,7.11
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3cscn3)cc2)CCCC1,CHEMBL3678403,7.31
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2cscn2)c1,CHEMBL3678404,7.46
+Cc1noc(C)c1-c1ccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678405,6.49
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cscn2)cc1,CHEMBL3678406,7.01
+O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL3678407,7.11
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccoc3)cc2)CCCC1,CHEMBL3678408,7.4
+COc1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678409,6.77
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)CCCC1,CHEMBL3678410,6.7
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)cc3)cc2)CCCC1,CHEMBL3678411,7.05
+CCOc1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678412,6.89
+CN(C)c1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678413,6.77
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCCC1,CHEMBL3678414,7.38
+CN(C)c1ncc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678415,6.74
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccccc3)cc2)CCCC1,CHEMBL3678416,6.96
+CC(C)c1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678417,6.8
+CS(=O)(=O)Nc1cccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1,CHEMBL3678418,7.35
+COc1ncc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1C(F)(F)F,CHEMBL3639772,7.12
+CS(=O)(=O)c1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678419,6.96
+COc1ncc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678420,6.68
+Cn1cc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678421,6.52
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3cn[nH]c3)cc2)CCCC1,CHEMBL3678422,6.08
+CS(=O)(=O)Nc1ccc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678423,7.02
+COc1ncc(-c2ccc(Cn3c([C@H]4[C@@H](C(=O)O)C4(C)C)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678424,6.43
+COc1ncc(-c2cccc(Cn3c([C@H]4[C@@H](C(=O)O)C4(C)C)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,CHEMBL3678425,6.8
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)c(F)c2)cc1,CHEMBL3678426,7.26
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(F)c(F)c2)c1,CHEMBL3678427,7.22
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)cc2)cc1,CHEMBL3678428,7.09
+CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(F)cc2)c1,CHEMBL3678429,7.07
+COc1ncc(-c2ccc(Cn3c(C4CCCC[C@@H]4C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678430,6.96
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cncnc2)cc1,CHEMBL3678431,6.92
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1,CHEMBL3678432,7.39
+CS(=O)(=O)Nc1ccc(-c2ccc(Cn3c(C4CCCC[C@@H]4C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678433,7.47
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1,CHEMBL3678434,7.22
+CS(=O)(=O)Nc1ccc(-c2cccc(Cn3c(C4CCCC[C@@H]4C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cc1,CHEMBL3678435,8.37
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL3678436,7.4
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,CHEMBL3678437,7.74
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1,CHEMBL3678438,7.35
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3cc[nH]n3)c2)CCCC1,CHEMBL3678439,7.92
+N#CCc1cccc(Cn2c(CC3(C(=O)O)CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678440,6.66
+COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678441,6.77
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)C(=O)O,CHEMBL3678442,6.51
+COc1ncc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678443,6.51
+COc1ccc(-c2cccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,CHEMBL3678444,7.3
+COc1ccc(-c2ccccc2Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cn1,CHEMBL3678445,6.21
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc[nH]2)cc1)C(=O)O,CHEMBL3678446,6.92
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1)C(=O)O,CHEMBL3678447,6.68
+Cc1cccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1,CHEMBL3678448,6.21
+Cc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678449,6.21
+Cn1nccc1-c1ccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678450,5.68
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)C(=O)O,CHEMBL3678451,6.08
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2F)cc1)C(=O)O,CHEMBL3678452,6.12
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(F)c2)cc1)C(=O)O,CHEMBL3678453,6.85
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)O,CHEMBL3678454,6.59
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1)C(=O)O,CHEMBL3678455,6.47
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1-c1cccc(C(=O)O)c1)C(=O)O,CHEMBL3678456,6.24
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(C#N)c2)cc1)C(=O)O,CHEMBL3678457,6.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O,CHEMBL3678458,6.48
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)O,CHEMBL3678459,6.08
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccnc2)cc1)C(=O)O,CHEMBL3678460,6.08
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccn2)cc1)C(=O)O,CHEMBL3678461,6.12
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1)C(=O)O,CHEMBL3678462,7.8
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc[nH]2)c1)C(=O)O,CHEMBL3678463,7.19
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2cncs2)c1)C(=O)O,CHEMBL3678464,7.77
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1)C(=O)O,CHEMBL3678465,8.25
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)O,CHEMBL3678466,7.62
+COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1,CHEMBL3678467,6.17
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1)C(=O)O,CHEMBL3678468,6.8
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(S(N)(=O)=O)c2)cc1)C(=O)O,CHEMBL3678469,6.28
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)O,CHEMBL3678470,6.64
+CC(=O)Nc1cccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1,CHEMBL3678471,6.8
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2NS(C)(=O)=O)cc1)C(=O)O,CHEMBL3678472,5.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1)C(=O)O,CHEMBL3678473,5.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2nccs2)cc1)C(=O)O,CHEMBL3678474,6.85
+Cn1cc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,CHEMBL3678475,6.0
+Cn1nccc1-c1cccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,CHEMBL3678476,7.05
+Cc1ccccc1-c1ccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1,CHEMBL3678477,5.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1-c1ccc(C(F)(F)F)nc1)C(=O)O,CHEMBL3678478,5.9
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2C#N)cc1)C(=O)O,CHEMBL3678479,6.08
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C(=O)O,CHEMBL3678480,6.12
+Cn1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)n1,CHEMBL3678481,6.82
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cnoc2)cc1)C(=O)O,CHEMBL3678482,6.66
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cncs2)cc1)C(=O)O,CHEMBL3678483,6.68
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cscn2)cc1)C(=O)O,CHEMBL3678484,7.02
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ncccn2)cc1,CHEMBL3678485,7.68
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ncccn2)c1,CHEMBL3678486,8.39
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCCC2)cc1,CHEMBL3678487,7.52
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCC(F)(F)CC2)cc1F,CHEMBL3678488,7.54
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCC(F)(F)C2)cc1F,CHEMBL3678489,7.64
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCC(F)(F)C2)cc1F,CHEMBL3678490,7.51
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CC(F)(F)C2)cc1F,CHEMBL3678491,7.57
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1F,CHEMBL3678492,7.54
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1,CHEMBL3678493,7.17
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(N3CCOCC3)cc2)CCCC1,CHEMBL3678494,6.96
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(N3CCCCC3)cc2)CCCC1,CHEMBL3678495,6.72
+O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(N3CCCC3)c2)CCCC1,CHEMBL3678496,7.85
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCC2)cc1)C(=O)O,CHEMBL3678497,6.19
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCC(F)(F)C2)cc1)C(=O)O,CHEMBL3678498,6.12
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCOCC2)cc1)C(=O)O,CHEMBL3678499,5.87
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCCC2)cc1)C(=O)O,CHEMBL3678500,6.47
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCC2)cc1)C(=O)O,CHEMBL3678501,6.34
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-n2cccn2)cc1)C(=O)O,CHEMBL3678502,6.8
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-n2ccnn2)cc1)C(=O)O,CHEMBL3678503,5.6
+CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-n2nccn2)cc1)C(=O)O,CHEMBL3683271,6.21
+O=C(O)[C@H]1CCCCC1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3683272,7.89
+CC1(C)C(c2nc3cc(OCc4nc5ccccc5s4)ccc3n2Cc2ccc(Br)cc2)[C@H]1C(=O)O,CHEMBL3683274,7.55
+O=C(O)[C@@H]1CCCCC1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1,CHEMBL3683275,7.89
+CCC(CC)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3683276,7.62
+COc1ncc(-c2ccc(Cn3c([C@H]4CCCC[C@H]4C(=O)O)nc4cc(OCc5nc6ccccc6s5)ccc43)cc2)cn1,CHEMBL3683277,6.8
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2cncnc2)cc1,CHEMBL3683278,7.37
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1,CHEMBL3683279,7.29
+COc1ccc(-c2ccc(Cn3c([C@H]4CCCC[C@H]4C(=O)O)nc4cc(OCc5nc6ccccc6s5)ccc43)cc2)cn1,CHEMBL3683280,7.37
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ncccn2)cc1,CHEMBL3683281,7.47
+CCC(CC)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ncccn2)cc1)C(=O)O,CHEMBL3683282,6.6
+O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(N2CCCCC2)cc1,CHEMBL3683283,7.02
+COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704158,7.19
+Nc1cnc(-c2ccc(C3CCC3)c(O)c2F)cn1,CHEMBL3640030,6.45
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(F)(F)F)cc3)c2F)cn1,CHEMBL3704159,6.54
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(C(F)(F)F)c3)c2F)cn1,CHEMBL3704160,6.8
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3C(F)(F)F)c2F)cn1,CHEMBL3704161,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(C(=O)O)c3)c2F)cn1,CHEMBL3704162,8.4
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)cc3)c2F)cn1,CHEMBL3704163,7.96
+CS(=O)(=O)c1cccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1,CHEMBL3704164,7.85
+CS(=O)(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704165,8.15
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3OC(F)(F)F)c2F)cn1,CHEMBL3704166,6.12
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(OC(F)(F)F)c3)c2F)cn1,CHEMBL3704167,6.09
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(OC(F)(F)F)cc3)c2F)cn1,CHEMBL3704168,6.06
+CS(=O)(=O)c1cc(Cl)ccc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704169,6.12
+CC(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704170,7.05
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccnc3)c2F)cn1,CHEMBL3704171,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccncc3)c2F)cn1,CHEMBL3704172,6.91
+N#Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704173,6.71
+N#Cc1cccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1,CHEMBL3704174,7.01
+NC(=O)c1cccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1,CHEMBL3704175,7.8
+N#Cc1ccccc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704176,6.92
+NC(=O)c1ccccc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704177,7.0
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(-c4nn[nH]n4)cc3)c2F)cn1,CHEMBL3704178,8.3
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(-c4nn[nH]n4)c3)c2F)cn1,CHEMBL3704179,8.1
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3-c3nn[nH]n3)c2F)cn1,CHEMBL3704180,8.22
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(CC(=O)O)cc3)c2F)cn1,CHEMBL3704181,8.7
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccn3)c2F)cn1,CHEMBL3704182,7.0
+CN(C)S(=O)(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704183,7.92
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(N)(=O)=O)cc3)c2F)cn1,CHEMBL3704184,7.7
+CNS(=O)(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704185,8.22
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(F)cc3)c2F)cn1,CHEMBL3704186,6.52
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(F)c3)c2F)cn1,CHEMBL3704187,6.65
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3F)c2F)cn1,CHEMBL3704188,6.45
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3c(F)cccc3F)c2F)cn1,CHEMBL3704189,6.77
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(F)c3F)c2F)cn1,CHEMBL3704190,6.45
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(F)c(F)c3)c2F)cn1,CHEMBL3704191,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3Cl)c2F)cn1,CHEMBL3704192,6.52
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(Cl)c3)c2F)cn1,CHEMBL3704193,6.76
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(Cl)cc3)c2F)cn1,CHEMBL3704194,6.66
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3c(Cl)cccc3Cl)c2F)cn1,CHEMBL3704195,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(Cl)ccc3Cl)c2F)cn1,CHEMBL3704196,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(Cl)c3Cl)c2F)cn1,CHEMBL3704197,6.12
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(Cl)cc3Cl)c2F)cn1,CHEMBL3704198,6.21
+Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1C,CHEMBL3704199,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(C(F)(F)F)c3Cl)c2F)cn1,CHEMBL3704200,5.7
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(Cl)ccc3C(F)(F)F)c2F)cn1,CHEMBL3704201,6.37
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(F)cc3C(F)(F)F)c2F)cn1,CHEMBL3704202,5.82
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(F)ccc3Cl)c2F)cn1,CHEMBL3704203,6.71
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3C(=O)O)c2F)cn1,CHEMBL3704204,8.1
+Cn1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704205,7.38
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3nc(C4CC4)no3)c2F)cn1,CHEMBL3704206,7.92
+CC(C)(C)OC(=O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704207,6.88
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(=O)O)c2F)cn1,CHEMBL3704208,5.82
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccccc3=O)c2F)cn1,CHEMBL3704209,6.49
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cnccc3=O)c2F)cn1,CHEMBL3704210,6.44
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ncccc3=O)c2F)cn1,CHEMBL3704211,6.86
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccncc3=O)c2F)cn1,CHEMBL3704212,6.53
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3cncnc3)c2F)cn1,CHEMBL3704213,6.82
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3ncccn3)c2F)cn1,CHEMBL3704214,7.09
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3cnccn3)c2F)cn1,CHEMBL3704215,7.44
+Nc1cnc(NCC(O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3704216,7.52
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3cc(N)ncn3)c2F)cn1,CHEMBL3704217,6.49
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cccn3)c2F)cn1,CHEMBL3704218,6.94
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccnc3)c2F)cn1,CHEMBL3704219,6.58
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cncn3)c2F)cn1,CHEMBL3704220,6.5
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccnn3)c2F)cn1,CHEMBL3704221,6.92
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3nccn3)c2F)cn1,CHEMBL3704222,7.07
+N#Cc1cnn(CC(O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1N,CHEMBL3704223,7.74
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3nncc3N)c2F)cn1,CHEMBL3704224,6.37
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3ccn[nH]3)c2F)cn1,CHEMBL3704225,6.75
+CS(=O)(=O)N1CCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)CC1,CHEMBL3704226,6.12
+Cc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704227,7.52
+Cc1nc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)no1,CHEMBL3704228,7.47
+Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCCCC3)c2F)cn1,CHEMBL3704229,6.21
+Nc1cnc(-c2ccc(C3CCC3)c(OCC3CC3)c2F)cn1,CHEMBL3704230,7.74
+CCOC(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)o1,CHEMBL3704231,6.56
+CC(C)(C)OC(=O)N1CCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)CC1,CHEMBL3704232,6.12
+Cc1noc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704233,6.43
+COc1ccc(S(F)(F)(F)(F)F)cc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704234,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(S(F)(F)(F)(F)F)ccc3F)c2F)cn1,CHEMBL3704235,6.7
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3F)c2F)cn1,CHEMBL3704236,6.76
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1,CHEMBL3704237,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(S(F)(F)(F)(F)F)c3)c2F)cn1,CHEMBL3704238,6.52
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3S(F)(F)(F)(F)F)c2F)cn1,CHEMBL3704239,6.4
+Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCC3)c2F)cn1,CHEMBL3704240,6.52
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3)c2F)cn1,CHEMBL3704241,7.43
+Nc1cnc(-c2ccc(C3CCC3)c(OCCc3ccc(C(=O)O)cc3)c2F)cn1,CHEMBL3704242,7.15
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)o3)c2F)cn1,CHEMBL3704243,7.55
+Cc1cc(N)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704244,8.3
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4ccccc4)n3)c2F)cn1,CHEMBL3704245,9.0
+CSc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704246,8.4
+Cc1cc(C)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704247,8.4
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4cccs4)n3)c2F)cn1,CHEMBL3704248,9.0
+COc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704249,8.52
+COc1cnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3704250,7.57
+CS(=O)(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704251,8.3
+Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1,CHEMBL3704252,8.15
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ncn1,CHEMBL3704253,7.49
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(=O)nc[nH]3)c2F)cn1,CHEMBL3704254,8.1
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1,CHEMBL3704255,8.22
+COc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704256,9.0
+N#Cc1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704257,7.64
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cccc(C(F)(F)F)n3)c2F)cn1,CHEMBL3640031,8.7
+COC(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704258,7.46
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncc(C(F)(F)F)cn3)c2F)cn1,CHEMBL3704259,7.0
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnc(C(F)(F)F)cn3)c2F)cn1,CHEMBL3704260,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nn3)c2F)cn1,CHEMBL3704261,7.08
+COC(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3704262,8.16
+N#Cc1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cn1,CHEMBL3704263,7.61
+N#Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ccn1,CHEMBL3704264,8.05
+N#Cc1cccnc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704265,8.62
+N#Cc1cccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704266,8.72
+N#Cc1ncccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704267,7.83
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)cn3)c2F)cn1,CHEMBL3704268,7.57
+N#Cc1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3704269,7.76
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1,CHEMBL3704270,6.53
+CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704271,7.84
+CS(=O)(=O)c1ccccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704272,5.6
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1,CHEMBL3586209,7.98
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(N)n3)c2F)cn1,CHEMBL3704273,8.22
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)c(C(F)(F)F)c3)c2F)cn1,CHEMBL3704274,6.52
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccc3C(F)(F)F)c2F)cn1,CHEMBL3704275,6.6
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccc3Cl)c2F)cn1,CHEMBL3704276,8.4
+CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c(Cl)c1,CHEMBL3704277,8.15
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(C(F)(F)F)n3)c2F)cn1,CHEMBL3704278,8.52
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(C(F)(F)F)ncn3)c2F)cn1,CHEMBL3704279,6.6
+Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ccc1S(C)(=O)=O,CHEMBL3704280,7.97
+CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c(C(F)(F)F)c1,CHEMBL3704281,5.66
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nc3)c2F)cn1,CHEMBL3704282,6.53
+COc1cccnc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704283,6.92
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(N)n3)c2F)cn1,CHEMBL3704284,8.43
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(C(F)(F)F)n3)c2F)cn1,CHEMBL3704285,8.25
+[C-]#[N+]c1cc(S(C)(=O)=O)ccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704286,7.77
+CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1C(F)(F)F,CHEMBL3704287,7.99
+Cc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704288,8.21
+CC(C)c1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704289,8.89
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N)ncn3)c2F)cn1,CHEMBL3704290,8.46
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(Cl)n3)c2F)cn1,CHEMBL3704291,8.43
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N4CCC4)ncn3)c2F)cn1,CHEMBL3704292,8.26
+CN(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(C(F)(F)F)n1,CHEMBL3704293,8.41
+Cc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704294,8.89
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(C4CC4)ncn3)c2F)cn1,CHEMBL3704295,8.3
+COCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1,CHEMBL3704296,8.77
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(Cl)nc(N)n3)c2F)cn1,CHEMBL3704297,8.54
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(-c4ccccc4)n3)c2F)cn1,CHEMBL3704298,8.96
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(-c4ccccc4)ncn3)c2F)cn1,CHEMBL3704299,8.27
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N)nc(Cc4ccccc4)n3)c2F)cn1,CHEMBL3704300,9.4
+CC(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ncn1,CHEMBL3704301,8.19
+[C-]#[N+]c1c(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nn(C)c1C(F)(F)F,CHEMBL3704302,7.0
+CC(C)(C)OC(=O)NCCNc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704303,8.89
+NCCNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704304,6.75
+COC(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704305,8.05
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(C(=O)O)n3)c2F)cn1,CHEMBL3704306,7.2
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cc3)c2F)cn1,CHEMBL3704307,8.64
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cn3)c2F)cn1,CHEMBL3704308,7.9
+NC(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1,CHEMBL3704309,8.39
+CN(C)CCNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704310,5.65
+NC(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3704311,7.69
+Nc1cnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3704312,8.11
+COc1c(C2CCC2)ccc(-c2cnc(N)nc2)c1F,CHEMBL3704313,7.25
+Nc1ncc(-c2ccc(C3CCC3)c(O)c2F)cn1,CHEMBL3704314,7.0
+Nc1ncc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1,CHEMBL3704315,7.02
+Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1,CHEMBL3704316,7.65
+COCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)nc(N)n1,CHEMBL3704317,8.14
+Cc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1,CHEMBL3704318,7.15
+Nc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)ncn1,CHEMBL3704319,7.43
+CC(C)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1,CHEMBL3704320,8.25
+Nc1ncc(-c2ccc(C3CCC3)c(Oc3ccnc(N)n3)c2F)cn1,CHEMBL3704321,7.93
+Cc1cc(C)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1,CHEMBL3704322,7.83
+CC(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)nc(N)n1,CHEMBL3704323,8.55
+NC(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1,CHEMBL3704324,6.69
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)ncn1,CHEMBL3704325,7.04
+Nc1ncc(-c2ccc(C3CCC3)c(Oc3cc(=O)nc[nH]3)c2F)cn1,CHEMBL3704326,7.4
+COc1c(C2CCC2)ccc(-c2ncc(N)nc2C#N)c1F,CHEMBL3704327,6.4
+N#Cc1nc(N)cnc1-c1ccc(C2CCC2)c(O)c1F,CHEMBL3704328,6.17
+N#Cc1nc(N)cnc1-c1ccc(C2CCC2)c(OCc2cccc(C(=O)O)c2)c1F,CHEMBL3704329,8.27
+COc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3n2)c1F,CHEMBL3704330,7.0
+Oc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3n2)c1F,CHEMBL3704331,7.12
+Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1,CHEMBL3704332,7.0
+Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1OCc1ccccc1,CHEMBL3704333,7.03
+COc1c(C2CCC2)ccc(-c2ccc(N)nc2)c1F,CHEMBL3704334,6.45
+Nc1ccc(-c2ccc(C3CCC3)c(O)c2F)cn1,CHEMBL3704335,6.12
+COC(=O)c1ccc(COc2c(C3CCC3)ccc(-c3ccc(N)nc3)c2F)cc1,CHEMBL3704336,6.43
+Nc1ccc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)cc3)c2F)cn1,CHEMBL3704337,7.39
+COc1c(C2CCC2)ccc(-c2cnc3nc[nH]c3n2)c1F,CHEMBL3704338,5.71
+COc1c(C2CCC2)ccc(-c2cnc3nc[nH]c3c2)c1F,CHEMBL3704339,6.48
+COc1c(C2CCC2)ccc(-c2cnc3c(c2)OCCN3)c1F,CHEMBL3704340,7.85
+Oc1c(C2CCC2)ccc(-c2cnc3c(c2)OCCN3)c1F,CHEMBL3704341,7.71
+N#Cc1cccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)c1,CHEMBL3704343,7.92
+CS(=O)(=O)c1cccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)c1,CHEMBL3704344,8.07
+Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1,CHEMBL3704345,8.01
+[C-]#[N+]c1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1,CHEMBL3704346,7.33
+Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1,CHEMBL3704347,6.6
+NC(=O)c1cccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)c1,CHEMBL3704348,8.28
+O=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1,CHEMBL3704349,8.43
+Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1cccc(C(F)(F)F)n1,CHEMBL3704350,8.54
+O=C(O)Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1,CHEMBL3704351,8.66
+COc1c(C2CCC2)ccc(-c2cc3cc[nH]c3nn2)c1F,CHEMBL3704352,6.12
+COc1c(C2CCC2)ccc(-c2cnc3c(c2)CCN3)c1F,CHEMBL3704353,7.73
+Oc1c(C2CCC2)ccc(-c2cnc3c(c2)CCN3)c1F,CHEMBL3704354,7.62
+CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1O,CHEMBL3704355,7.11
+CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1O[Si](C)(C)C(C)(C)C,CHEMBL3704356,6.81
+CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3640032,8.07
+CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1cc(N)ncn1,CHEMBL3704357,8.21
+CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1,CHEMBL3704358,8.16
+COc1cc(Oc2c(C(C)(C)C)ccc(-c3cnc(N)cn3)c2F)ncn1,CHEMBL3704359,7.09
+COc1c(C(C)(C)C)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704360,7.4
+CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1O,CHEMBL3704361,7.14
+CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1O[Si](C)(C)C(C)(C)C,CHEMBL3704362,6.11
+CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1ncccn1,CHEMBL3704363,7.32
+CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1cc(N)ncn1,CHEMBL3704364,7.33
+CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1nccc(N)n1,CHEMBL3704365,7.63
+COc1c(Br)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704366,5.6
+COc1c(C2CCCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3704367,6.28
+Nc1cnc(-c2ccc(C3CCCC3)c(OCc3ccccc3)c2F)cn1,CHEMBL3704368,7.19
+CC(C)Oc1c(C2CCCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659244,7.04
+Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCCC2)c1OCc1ccccc1,CHEMBL3659245,7.51
+CC(C)(C)c1ccc(-c2cnc(N)cn2)cc1OCc1ccccc1,CHEMBL3659246,6.21
+Nc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1,CHEMBL3659247,6.06
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3)c2)cn1,CHEMBL3659248,5.9
+COc1c(C2CCC2)ccc(-c2cnc(N)c(C#N)n2)c1F,CHEMBL3659249,7.11
+Oc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3c2)c1F,CHEMBL3659251,7.66
+Oc1c(C2CCC2)ccc(-c2cc3cc[nH]c3nn2)c1F,CHEMBL3659252,6.23
+N#Cc1nc(-c2ccc(C3CCC3)c(O)c2F)cnc1N,CHEMBL3659253,6.75
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(Oc4c(C5CCC5)ccc(-c5cnc(N)cn5)c4F)n3)c2F)cn1,CHEMBL3659255,7.63
+Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1ncccn1,CHEMBL3659256,8.6
+Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)n1,CHEMBL3659257,8.85
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)ncn1,CHEMBL3659258,8.07
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc4[nH]ccc4c3)c2F)ncn1,CHEMBL3659259,7.61
+COc1cc(Oc2c(C3CCC3)ccc(-c3cnc4[nH]ccc4n3)c2F)ncn1,CHEMBL3659260,8.11
+Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1,CHEMBL3659261,8.6
+Nc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1,CHEMBL3659262,5.67
+COc1cc(Oc2c(C3CCC3)ccc(-c3ccc(N)nn3)c2F)ncn1,CHEMBL3659263,5.8
+Nc1ccc(-c2ccc(C3CCC3)c(Oc3cc(=O)nc[nH]3)c2F)nn1,CHEMBL3659264,5.77
+N#Cc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3659265,5.89
+Cc1nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc(N(C)C)n1,CHEMBL3659266,8.48
+Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N(C)C)n1,CHEMBL3659267,8.66
+CN(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ncn1,CHEMBL3659268,8.48
+CCc1c(C(F)(F)F)nn(C)c1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659269,6.81
+CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1,CHEMBL3659270,8.08
+CC(C)(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1,CHEMBL3659271,7.63
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(N4CCC5(CC4)OCCCO5)n3)c2F)cn1,CHEMBL3659272,8.92
+CC(C)Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1,CHEMBL3659273,8.44
+COc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3c2)c1F,CHEMBL3659274,7.05
+CS(=O)(=O)NCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659275,6.63
+Nc1cnc(-c2ccc(C3CCC3)c(OCCN3CCOCC3)c2F)cn1,CHEMBL3659276,6.34
+CCOC(=O)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659277,7.21
+CC(C)(C)OC(=O)N1CC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1,CHEMBL3659278,7.01
+CC(C)(C)OC(=O)N1CCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1,CHEMBL3659279,6.59
+CC(C)(C)OC(=O)N1CCCC1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659280,6.58
+CC(C)(C)OC(=O)N1CCCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1,CHEMBL3659281,6.68
+Nc1cnc(-c2ccc(C3CCC3)c(OCCO)c2F)cn1,CHEMBL3659282,7.0
+Nc1cnc(-c2ccc(C3CCC3)c(OCCCC(=O)O)c2F)cn1,CHEMBL3659283,5.92
+Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCCO3)c2F)cn1,CHEMBL3659284,7.53
+CC(C)CNCC(O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659285,6.07
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CO)c2F)cn1,CHEMBL3659286,6.0
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCOCC3)c2F)cn1,CHEMBL3659287,5.94
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCS(=O)(=O)CC3)c2F)cn1,CHEMBL3659288,6.36
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1,CHEMBL3659289,7.51
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1,CHEMBL3659290,8.42
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnccn3)c2F)cn1,CHEMBL3659291,8.15
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccncn3)c2F)cn1,CHEMBL3659292,7.7
+CC(C)CNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3659293,8.89
+COC(=O)c1ccc2oc(COc3c(C4CCC4)ccc(-c4cnc(N)cn4)c3F)nc2c1,CHEMBL3659294,7.71
+COC(=O)c1ccc(O)c(NC(=O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1,CHEMBL3659295,6.86
+CNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3659301,9.05
+Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cc4cc[nH]c4nn3)c2F)n1,CHEMBL3659302,6.1
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnc4cc(F)c(F)cc4n3)c2F)cn1,CHEMBL3659303,8.29
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1,CHEMBL3659304,9.3
+N#CCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659306,7.41
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3cccnn3)c2F)cn1,CHEMBL3659307,7.75
+Nc1cnc(-c2ccc(C3CC3)c(Oc3ncccn3)c2F)cn1,CHEMBL3659308,7.0
+Nc1cnc(-c2ccc(C3CC3)c(Oc3nccc(N)n3)c2F)cn1,CHEMBL3659309,7.17
+COC(=O)c1coc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3659311,7.0
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3nc(C(=O)O)co3)c2F)cn1,CHEMBL3639581,7.53
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3nc4ccccc4s3)c2F)cn1,CHEMBL3659312,7.01
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccnn3)c2F)cn1,CHEMBL3659315,6.44
+Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(Cl)cn3)c2F)cn1,CHEMBL3659316,6.64
+N#Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cn1,CHEMBL3659317,7.4
+Cc1cc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)no1,CHEMBL3659318,7.33
+N#Cc1cccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1,CHEMBL3659319,7.43
+Nc1cnc(-c2ccc(C3CCC3)c(OCCN3C(=O)c4ccccc4C3=O)c2F)cn1,CHEMBL3659320,7.78
+NCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3659321,6.16
+Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3cnccn3)c2F)cn1,CHEMBL3659322,8.38
+Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3ncccn3)c2F)cn1,CHEMBL3659323,8.17
+Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3ccncn3)c2F)cn1,CHEMBL3659324,7.84
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3c(=O)[nH]c4ccccc43)c2F)cn1,CHEMBL3659338,8.09
+Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCNC3=O)c2F)cn1,CHEMBL3659339,6.01
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncc(-c4cnc(N)nc4)cn3)c2F)cn1,CHEMBL3659340,8.62
+Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1,CHEMBL3659342,5.86
+CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659343,6.54
+CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1,CHEMBL3659344,6.7
+CC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659345,7.24
+CCCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659346,6.47
+Nc1cnc(-c2ccc(C3CCCCC3)c(Oc3ncccn3)c2F)cn1,CHEMBL3659347,7.44
+Nc1cnc(-c2ccc(CC3CCCCC3)c(Oc3ncccn3)c2F)cn1,CHEMBL3659348,6.93
+CC(C)CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659349,6.24
+CC(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659350,6.68
+CC(C)(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1,CHEMBL3659351,7.13
+Nc1cnc(-c2ccc(C3CCCCC3)c(Oc3nccc(N)n3)c2F)cn1,CHEMBL3659352,8.02
+Nc1cnc(-c2ccc(CC3CCCCC3)c(Oc3nccc(N)n3)c2F)cn1,CHEMBL3659353,6.45
+CC(C)CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1,CHEMBL3659354,6.28
+CC(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1,CHEMBL3659355,6.95
+NC(=O)c1ncc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cn1,CHEMBL3659356,8.01
+Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc4ncccc4s3)c2F)cn1,CHEMBL3659357,8.29
+Cc1csc2ncnc(Oc3c(C4CCC4)ccc(-c4cnc(N)cn4)c3F)c12,CHEMBL3659358,8.43
+Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3ccnc(N)n3)c2F)cn1,CHEMBL3659359,7.34
+CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688397,6.66
+CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688398,6.54
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688400,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1,CHEMBL3688401,7.46
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCCCC3)cc2F)cn1,CHEMBL3688402,9.0
+CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688403,8.7
+CC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3688404,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CCC3)cc2F)cn1,CHEMBL3688405,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC4CCC3C4)cc2F)cn1,CHEMBL3688406,8.52
+CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCC1,CHEMBL3688407,8.7
+CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688408,8.7
+CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3688409,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCCC3)cc2F)cn1,CHEMBL3688410,8.52
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688411,8.0
+CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688412,8.22
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCc3ccccc3)cc2F)cn1,CHEMBL3688413,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1,CHEMBL3688414,8.7
+C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3688415,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3Cc4ccccc4C3)cc2F)cn1,CHEMBL3688416,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCc4ccccc43)cc2F)cn1,CHEMBL3688417,8.85
+C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)c1ccccc1,CHEMBL3700895,8.7
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688423,8.31
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccccc3)cc2F)cn1,CHEMBL3639872,9.0
+CCN1CCCC[C@@H](NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1=O,CHEMBL3688418,7.54
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2F)cn1,CHEMBL3688419,7.05
+CN1CCCC[C@@H](NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1=O,CHEMBL3688420,7.23
+CN1C(C)(C)CC(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1(C)C,CHEMBL3688421,7.02
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3cccnc3)cc2F)cn1,CHEMBL3688422,8.4
+Nc1cnc(-c2ccc(-c3ccccc3NS(N)(=O)=O)cc2F)cn1,CHEMBL3688424,6.52
+CC(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688425,7.51
+CCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688426,7.44
+CCCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688427,8.0
+CC(C)CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688428,7.52
+Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C3CC3)cc2F)cn1,CHEMBL3688429,7.48
+CCCCCCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688430,8.1
+Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C3CCC3)cc2F)cn1,CHEMBL3688431,7.85
+Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C(F)(F)F)cc2F)cn1,CHEMBL3688432,7.85
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688433,7.96
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1,CHEMBL3688434,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1,CHEMBL3688435,8.15
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3688436,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNCC3)cc2F)cn1,CHEMBL3688437,7.24
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688438,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1,CHEMBL3688439,7.96
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)CC3)cc2F)cn1,CHEMBL3688440,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(F)(F)C3)cc2F)cn1,CHEMBL3688441,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)C3)cc2F)cn1,CHEMBL3688442,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(F)(F)C3)cc2F)cn1,CHEMBL3688443,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCCC3)cc2F)cn1,CHEMBL3688444,8.52
+CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688445,7.83
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)(C(F)(F)F)CC3)cc2F)cn1,CHEMBL3688446,9.0
+CC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688447,7.82
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)C4CC4)CC3)cc2F)cn1,CHEMBL3688448,8.3
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CCO)CC3)cc2F)cn1,CHEMBL3688449,7.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C4CC4)CC3)cc2F)cn1,CHEMBL3688450,7.55
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN4CCCC4C3)cc2F)cn1,CHEMBL3688451,7.96
+CC1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)N1,CHEMBL3688452,6.85
+N#CC1CCCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1,CHEMBL3688453,8.22
+[C-]#[N+]C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688454,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N)CC3)cc2F)cn1,CHEMBL3688455,7.31
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1,CHEMBL3688456,7.68
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)CC3)cc2F)cn1,CHEMBL3688457,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CO)CC3)cc2F)cn1,CHEMBL3688458,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CCO)CC3)cc2F)cn1,CHEMBL3688459,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(O)C3)cc2F)cn1,CHEMBL3688460,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(CCO)C3)cc2F)cn1,CHEMBL3688461,8.7
+CNC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688462,6.95
+CN(C)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688463,7.21
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(N)C3)cc2F)cn1,CHEMBL3688464,8.22
+CC(=O)NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688465,7.92
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(CO)C3)cc2F)cn1,CHEMBL3688466,8.7
+CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1,CHEMBL3688467,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](CO)[C@@H](O)c3ccccc3)cc2F)cn1,CHEMBL3688468,9.0
+CC(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688469,8.3
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCO)cc2F)cn1,CHEMBL3688470,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H](CO)c3ccccc3)cc2F)cn1,CHEMBL3688471,8.22
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](CO)c3ccccc3)cc2F)cn1,CHEMBL3688472,9.0
+C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)[C@@H](O)c1ccccc1,CHEMBL3688473,9.0
+CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688474,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@H]3O)cc2F)cn1,CHEMBL3688475,8.7
+CC[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688476,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@@H]3O)cc2F)cn1,CHEMBL3688477,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1,CHEMBL3688478,8.15
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1,CHEMBL3688479,8.22
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CC3)cc2F)cn1,CHEMBL3688480,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H]3CO)cc2F)cn1,CHEMBL3700896,8.3
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](N)C3)cc2F)cn1,CHEMBL3688481,6.695
+NC[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700897,7.12
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H]3CO)cc2F)cn1,CHEMBL3688482,8.0
+CS(=O)(=O)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688483,6.45
+C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700898,8.1
+C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688484,8.1
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3(O)CCCCC3)cc2F)cn1,CHEMBL3688485,8.7
+CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688486,9.0
+CC(C)(O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688487,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)CO)cc2F)cn1,CHEMBL3688488,7.92
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@@H](O)CO)cc2F)cn1,CHEMBL3700899,7.6
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](O)C3)cc2F)cn1,CHEMBL3688489,7.72
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3=O)cc2F)cn1,CHEMBL3688490,7.8
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCNC3=O)cc2F)cn1,CHEMBL3688491,8.0
+CC(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700900,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CC[C@H](O)CC3)cc2F)cn1,CHEMBL3688492,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@@H](CO)C3)cc2F)cn1,CHEMBL3700901,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](CO)C3)cc2F)cn1,CHEMBL3688493,8.15
+CN([C@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688494,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H](CO)Cc3ccccc3)cc2F)cn1,CHEMBL3688495,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C3)cc2F)cn1,CHEMBL3688496,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)cc2F)cn1,CHEMBL3688498,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCNCC3)cc2F)cn1,CHEMBL3688499,7.08
+NCC1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1,CHEMBL3688500,7.46
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CNC3)cc2F)cn1,CHEMBL3688501,7.3
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCc4[nH]ncc4C3)cc2F)cn1,CHEMBL3688502,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(n4cn[nH]c4=O)CC3)cc2F)cn1,CHEMBL3688503,8.4
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CN4)cc2F)cn1,CHEMBL3688504,6.84
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCCCO)cc2F)cn1,CHEMBL3688505,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCCCCO)cc2F)cn1,CHEMBL3688506,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CC[C@@H](N)CC3)cc2F)cn1,CHEMBL3688507,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(CCO)C3CCCCC3)cc2F)cn1,CHEMBL3688508,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H](N)C3)cc2F)cn1,CHEMBL3688509,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(CCO)CCO)cc2F)cn1,CHEMBL3688510,7.96
+NC(=O)C1CCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688511,6.88
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(C3CCOCC3)C3CC3)cc2F)cn1,CHEMBL3688512,9.0
+CC(C)N(CCO)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688513,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOC(CO)C3)cc2F)cn1,CHEMBL3688514,7.82
+C[C@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688515,7.82
+CC(CO)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688516,9.0
+CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3639873,8.7
+CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688517,8.3
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688518,9.0
+NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688519,7.09
+CC[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688520,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3)cc2F)cn1,CHEMBL3688521,7.54
+CC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688522,7.92
+C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(=O)O,CHEMBL3688523,6.45
+NC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688524,8.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)cc2F)cn1,CHEMBL3688525,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)cn1,CHEMBL3688526,9.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4cnc[nH]4)CC3)cc2F)cn1,CHEMBL3688527,9.0
+Cc1ncc(CNS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)c(N)n1,CHEMBL3688528,7.74
+COc1cc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc(OC)n1,CHEMBL3688529,6.79
+Cc1cnc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3688530,7.33
+CC(C)C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(N)=O,CHEMBL3688531,7.85
+N#CCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688532,8.52
+C[C@@H](CC#N)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688533,8.7
+N#CCCN(C1CC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688534,8.4
+CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)COC1,CHEMBL3688535,9.0
+N#CCCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688536,8.7
+COC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688537,9.0
+Nc1cnc(-c2ccc(-c3ccccc3N)cc2F)cn1,CHEMBL3688538,5.88
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)(c4ccccc4)C3)cc2F)cn1,CHEMBL3688539,8.7
+Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCCC3)cc2F)cn1,CHEMBL3688540,8.15
+CN(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688541,7.7
+Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCOCC3)cc2F)cn1,CHEMBL3688542,7.47
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](O)C3)cc2F)cn1,CHEMBL3688543,8.05
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@@H](O)C3)cc2F)cn1,CHEMBL3688544,8.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)cc2F)cn1,CHEMBL3688545,7.72
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)cc2F)cn1,CHEMBL3688546,7.18
+Nc1cnc(-c2ccc(-c3ccccc3SC(F)(F)F)cc2F)cn1,CHEMBL3688547,6.76
+CC(C)(C)Sc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688548,7.24
+CCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688549,6.18
+CCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688550,7.24
+CC(C)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688551,7.59
+CC(C)(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688552,6.13
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCCC3)cc2F)cn1,CHEMBL3688553,8.52
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCC3)cc2F)cn1,CHEMBL3688554,8.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1,CHEMBL3688555,8.0
+CCCCCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688556,7.08
+CC(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688557,7.41
+NC(=O)CSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688558,7.46
+CCN(CC)C(=O)CSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688559,7.68
+Nc1cnc(-c2ccc(-c3ccccc3SCC(=O)N3CCOCC3)cc2F)cn1,CHEMBL3688560,7.14
+Nc1cnc(-c2ccc(-c3ccccc3SCC3CNC(=O)O3)cc2F)cn1,CHEMBL3688561,8.3
+Nc1cnc(-c2ccc(-c3ccccc3SCCNC(=O)c3ccccc3)cc2F)cn1,CHEMBL3688562,8.4
+CS(=O)(=O)c1ccc(CSc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cc1,CHEMBL3688563,8.1
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(N)(=O)=O)cc2F)cn1,CHEMBL3688564,8.7
+CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688565,7.77
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1,CHEMBL3688566,9.0
+CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688567,9.0
+CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688568,9.0
+Nc1cnc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1,CHEMBL3688569,8.7
+Nc1ncc(-c2ccc(-c3ccccc3Sc3ccncn3)cc2F)cn1,CHEMBL3688570,7.92
+Nc1cnc(-c2ccc(-c3ccccc3Sc3cc(N)ncn3)cc2F)cn1,CHEMBL3688571,8.7
+Nc1cnc(-c2ccc(-c3ccccc3Sc3nccc(N)n3)cc2F)cn1,CHEMBL3688572,8.7
+Nc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1,CHEMBL3688573,9.0
+Nc1cnc(-c2ccc(-c3ccccc3Sc3cnccn3)cc2F)cn1,CHEMBL3688574,8.52
+Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1,CHEMBL3688575,8.3
+CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688576,6.69
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)NCCO)cc2F)cn1,CHEMBL3688577,6.52
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CC(O)C3)cc2F)cn1,CHEMBL3688578,6.93
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CCNC(=O)C3)cc2F)cn1,CHEMBL3688579,6.18
+C[C@@H](CO)NS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688580,6.53
+C[C@H](CO)NS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688581,6.07
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N[C@H]3CC[C@H](O)CC3)cc2F)cn1,CHEMBL3688582,6.68
+C[C@H](O)CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688583,6.17
+C[C@@H](O)CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688584,5.98
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CCC(N)CC3)cc2F)cn1,CHEMBL3688585,5.97
+Nc1cnc(-c2ccc(-c3ccccc3CS(N)(=O)=O)cc2F)cn1,CHEMBL3688586,5.92
+CCNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688587,6.87
+NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688588,6.45
+CC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3688589,6.2
+CCSCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688590,7.6
+CSCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688591,7.44
+CC(C)SCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688592,7.24
+Nc1cnc(-c2ccc(-c3ccccc3CSc3nccc(N)n3)cc2F)cn1,CHEMBL3688593,8.23
+Nc1cnc(-c2ccc(-c3ccccc3CSc3cc(N)ncn3)cc2F)cn1,CHEMBL3688594,8.3
+Nc1cnc(-c2ccc(-c3ccccc3CSc3cccnn3)cc2F)cn1,CHEMBL3688595,8.22
+Nc1cnc(-c2ccc(-c3ccccc3CSc3ccc(N)nn3)cc2F)cn1,CHEMBL3688596,8.7
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3688597,7.82
+Nc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1,CHEMBL3688598,9.0
+Nc1cnc(-c2ccc(-c3ccccc3CSc3ccncn3)cc2F)cn1,CHEMBL3688599,8.52
+C[Si](C)(C)CCOCSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688600,7.54
+C[Si](C)(C)CCOCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688601,7.35
+CS(=O)(=O)CCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3688602,6.7
+C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3688603,7.05
+CC[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3688604,7.3
+N#CCCN(C1CC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3688605,7.23
+N#CCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3688606,7.42
+CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3688607,8.3
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOC(CO)C3)cc2F)cn1,CHEMBL3688608,6.9
+C[C@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693002,6.87
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cn1,CHEMBL3693003,7.1
+CC(CO)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693004,8.1
+CN([C@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693005,7.46
+CN([C@@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693006,6.81
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC[C@@H]3CO)cc2F)cn1,CHEMBL3693007,6.61
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@H]3O)cc2F)cn1,CHEMBL3693008,8.3
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1,CHEMBL3693009,8.0
+CC(C)N(CCO)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693010,8.22
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CC[C@H](O)CC3)cc2F)cn1,CHEMBL3693011,7.74
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3=O)cc2F)cn1,CHEMBL3693012,6.77
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3693013,7.55
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C3)cc2F)cn1,CHEMBL3693014,7.35
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCNC3=O)cc2F)cn1,CHEMBL3693015,6.74
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCNC3=O)cc2F)cn1,CHEMBL3693016,6.81
+C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3693017,7.96
+CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693018,7.82
+CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693019,7.24
+CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693020,7.29
+CC(C)(O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693021,7.49
+CC(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693022,8.05
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1,CHEMBL3693023,7.19
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H]3CO)cc2F)cn1,CHEMBL3693024,7.64
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H]3CO)cc2F)cn1,CHEMBL3693025,7.28
+C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693026,7.295
+CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693027,8.52
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C4CC4)CC3)cc2F)cn1,CHEMBL3693028,7.21
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(CCO)CC3)cc2F)cn1,CHEMBL3693029,6.12
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CC3)cc2F)cn1,CHEMBL3693030,8.05
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1,CHEMBL3693031,7.38
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccccc3)cc2F)cn1,CHEMBL3693032,8.52
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693033,6.85
+Cc1cccc(-c2ccc(-c3cnc(N)nc3)c(F)c2)c1S(=O)(=O)NC(C)(C)C,CHEMBL3693034,8.05
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693035,6.99
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNCC3)cc2F)cn1,CHEMBL3693036,6.03
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1,CHEMBL3693037,7.92
+CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693039,8.7
+CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693040,7.6
+CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3693041,8.3
+C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3693042,8.3
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1,CHEMBL3693043,7.09
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693044,6.92
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693045,7.89
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1,CHEMBL3693046,7.89
+Nc1ncc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1,CHEMBL3693047,5.6
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1,CHEMBL3693048,6.21
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693050,8.7
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1,CHEMBL3693051,6.4
+C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(=O)OC(C)(C)C,CHEMBL3693052,8.4
+Nc1ncc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCCC3)cc2F)cn1,CHEMBL3693054,6.67
+Nc1ncc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCOCC3)cc2F)cn1,CHEMBL3693055,6.31
+CN(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693056,6.13
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC4(COC4)C3)cc2F)cn1,CHEMBL3693057,6.58
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC4(C3)CS(=O)(=O)C4)cc2F)cn1,CHEMBL3693058,6.4
+N#CC1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1,CHEMBL3693059,7.05
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)(C(F)(F)F)C3)cc2F)cn1,CHEMBL3693060,9.0
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3693061,6.13
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Cc3nc(=O)c4ccccc4[nH]3)cc2F)cn1,CHEMBL3693062,6.47
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)CCCn3c(=O)[nH]c4ccccc43)cc2F)cn1,CHEMBL3693063,6.16
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)CCCS(=O)(=O)C3CCCCC3)cc2F)cn1,CHEMBL3693064,6.69
+Cn1c(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc2ccccc21,CHEMBL3693065,6.89
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Cc3nc(C4CC4)no3)cc2F)cn1,CHEMBL3693066,6.3
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(N)(=O)=O)cc2F)cn1,CHEMBL3693067,7.49
+CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693068,6.11
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1,CHEMBL3693069,7.72
+CNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693070,8.4
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)NCCO)cc2F)cn1,CHEMBL3639919,8.52
+CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693071,8.7
+CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CC1,CHEMBL3693072,7.82
+Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1,CHEMBL3693073,7.92
+Nc1ccnc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3693074,7.92
+Nc1ncc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1,CHEMBL3693075,7.85
+Nc1ncc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1,CHEMBL3693076,7.19
+Nc1ncc(-c2ccc(-c3ccccc3Sc3cnccn3)cc2F)cn1,CHEMBL3693077,7.35
+Nc1cc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1,CHEMBL3693078,7.92
+Nc1ncc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1,CHEMBL3693079,8.7
+Nc1cncc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3693080,8.4
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3ncncc3N)cc2F)cn1,CHEMBL3693081,5.6
+C[Si](C)(C)CCOCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693082,6.7
+Nc1cnc(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1,CHEMBL3693083,5.6
+C[Si](C)(C)CCOCSc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693084,6.98
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3693086,8.7
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3693087,8.4
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1,CHEMBL3693088,7.09
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1,CHEMBL3693089,7.55
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCCCC3)cc2F)cn1,CHEMBL3693090,8.3
+CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3693092,8.3
+CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3693093,9.0
+CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3693094,8.7
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1,CHEMBL3693095,7.77
+CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccc(N)nc3)c(F)c2)CCC1,CHEMBL3693096,9.0
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3693097,7.43
+CC(NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3693098,8.3
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H]4CC[C@@H]3C4)cc2F)cn1,CHEMBL3693099,7.49
+CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2ccccc2-c2ccc(-c3ccc(N)nc3)c(F)c2)C1,CHEMBL3693100,6.94
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3(O)CNC3)cc2F)cn1,CHEMBL3693101,7.26
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CCO)CC3)cc2F)cn1,CHEMBL3693102,8.4
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)CC3)cc2F)cn1,CHEMBL3693103,7.66
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CO)CC3)cc2F)cn1,CHEMBL3693104,8.3
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693105,9.0
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693106,9.0
+O=C1NCC[C@@H]1NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693107,8.52
+O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)C1CC1,CHEMBL3693108,8.52
+O=S(=O)(NCCO)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693109,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693110,9.0
+NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693111,7.89
+CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693112,7.77
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693113,8.7
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693114,9.0
+O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCC1,CHEMBL3693115,7.6
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693116,9.0
+O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCCC1,CHEMBL3693117,9.0
+O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1,CHEMBL3693118,8.7
+CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693119,7.48
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693120,9.0
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693121,9.0
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693122,9.0
+NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4[nH]ccc4n3)c(F)c2)CC1,CHEMBL3693123,8.3
+CSc1ccc(F)cc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693124,8.1
+CCSc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693125,8.4
+CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1,CHEMBL3693126,7.38
+O=S(=O)(c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1)N1CCCCC1,CHEMBL3693127,8.7
+NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1,CHEMBL3693128,8.1
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1,CHEMBL3693129,8.7
+NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1,CHEMBL3693130,7.89
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1,CHEMBL3693131,8.7
+O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1,CHEMBL3693132,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1,CHEMBL3693133,9.0
+CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693135,8.05
+CC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693136,8.1
+CC(C)COc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693138,7.47
+CC(C)Oc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3693139,7.55
+Fc1cc(-c2cccnc2OCC2CC2)ccc1-c1cnc2[nH]ccc2n1,CHEMBL3693140,7.85
+CC(C)Oc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693141,6.8
+Nc1cnc(-c2ccc(-c3cccnc3OC3CCCC3)cc2F)cn1,CHEMBL3693142,7.04
+Nc1cnc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2F)cn1,CHEMBL3693143,7.15
+COc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693144,6.81
+Nc1cnc(-c2ccc(-c3cccnc3OC3CCC3)cc2F)cn1,CHEMBL3693145,7.0
+CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1,CHEMBL3693146,6.87
+CC(C)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3693148,6.89
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1,CHEMBL3693150,8.4
+N#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cnc1N,CHEMBL3693151,7.44
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1,CHEMBL3693152,7.72
+N#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cnc1N,CHEMBL3693153,7.72
+N#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cnc1N,CHEMBL3693154,7.19
+C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1,CHEMBL3693155,7.96
+N#Cc1nc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cnc1N,CHEMBL3693156,5.9
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nn2)c(F)c1,CHEMBL3693157,6.97
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc3cc[nH]c3n2)c(F)c1,CHEMBL3693158,5.9
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3ncccc3c2)c(F)c1,CHEMBL3693159,5.86
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3nccnc3c2)c(F)c1,CHEMBL3693160,7.07
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]ccc3c2)c(F)c1,CHEMBL3693161,7.55
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1,CHEMBL3693162,8.52
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1,CHEMBL3693163,6.55
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3scnc3c2)c(F)c1,CHEMBL3693164,8.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3cc[nH]c3c2)c(F)c1,CHEMBL3693165,8.7
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3693166,8.7
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)cn2)c(F)c1,CHEMBL3693167,7.27
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(N)n2)c(F)c1,CHEMBL3693168,8.4
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]c(=O)[nH]c3n2)c(F)c1,CHEMBL3693169,7.89
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(F)c2)c(F)c1,CHEMBL3639920,8.3
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1,CHEMBL3693170,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3nc[nH]c3c2)c(F)c1,CHEMBL3693171,8.4
+COc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N,CHEMBL3693172,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1,CHEMBL3693173,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3693174,8.05
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cc2C#N)c(F)c1,CHEMBL3693175,6.51
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2C#N)c(F)c1,CHEMBL3693176,7.64
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1,CHEMBL3693177,9.0
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1,CHEMBL3693178,7.2
+Nc1nnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)s1,CHEMBL3693179,7.51
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)n2)c(F)c1,CHEMBL3693180,9.0
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Br)n2)c(F)c1,CHEMBL3693181,9.0
+N#Cc1nc(N)ccc1-c1ccc(-c2ccccc2S(=O)(=O)C2CC2)cc1F,CHEMBL3693182,6.46
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccn3cnnc3c2)c(F)c1,CHEMBL3693183,6.74
+Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N,CHEMBL3693184,9.0
+Cc1nc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cnc1N,CHEMBL3693185,6.52
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3nc[nH]c3n2)c(F)c1,CHEMBL3693186,8.52
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Br)c2)c(F)c1,CHEMBL3693187,8.0
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C)n2)c(F)c1,CHEMBL3693188,7.66
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)c2)c(F)c1,CHEMBL3693189,7.13
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)c2)c(F)c1,CHEMBL3693190,8.7
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C(F)(F)F)c2)c(F)c1,CHEMBL3693191,7.09
+Cc1nc(N)ncc1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F,CHEMBL3693193,7.92
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]cc(CO)c3c2)c(F)c1,CHEMBL3693194,9.0
+Nc1cc(-c2ccc(-c3ccccc3S(=O)(=O)NC3(CO)CCCC3)cc2F)cc2cc[nH]c12,CHEMBL3693195,8.52
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]cc(CO)c3c2)c(F)c1,CHEMBL3693196,8.52
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cc(N)c3[nH]ccc3c2)c(F)c1,CHEMBL3693197,8.4
+CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F,CHEMBL3693200,7.39
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F,CHEMBL3693201,8.7
+Cc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F,CHEMBL3693202,6.01
+Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)c(F)c2F)cn1,CHEMBL3693203,6.92
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F,CHEMBL3693204,6.73
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F,CHEMBL3693205,6.6
+Nc1cnc(-c2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2F)cn1,CHEMBL3693206,6.6
+Nc1cnc(-c2ccc(-c3ccccc3F)cc2F)cn1,CHEMBL3693207,6.21
+Nc1cnc(-c2ccc(-c3ccccc3Cl)cc2F)cn1,CHEMBL3693208,6.6
+Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693209,6.21
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc2F)cn1,CHEMBL3693210,6.6
+Nc1cnc(-c2ccc(-c3ccccc3C(F)(F)F)cc2F)cn1,CHEMBL3693211,6.84
+COc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693212,6.95
+CSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693213,7.68
+Nc1cnc(-c2ccc(-c3ccccc3OC(F)(F)F)cc2F)cn1,CHEMBL3693214,6.12
+Nc1cnc(-c2ccc(-c3ccccc3O)cc2F)cn1,CHEMBL3693215,7.49
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3ccccc3)cc2F)cn1,CHEMBL3693216,7.8
+Nc1cnc(-c2ccc(-c3c(F)cccc3F)cc2F)cn1,CHEMBL3693217,6.6
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)c3ccccc3)cc2F)cn1,CHEMBL3693218,8.22
+CCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693219,6.45
+Nc1cnc(-c2ccc(-c3ccccc3OCC(=O)O)cc2F)cn1,CHEMBL3693220,5.72
+CC(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3693221,6.92
+CC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697167,6.45
+Nc1cnc(-c2ccc(-c3ccccc3OCC(F)(F)F)cc2F)cn1,CHEMBL3697168,7.11
+NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697170,5.6
+CC(C)Oc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697171,7.27
+Nc1cnc(-c2ccc(-c3cccnc3OCC3CC3)cc2F)cn1,CHEMBL3697172,7.01
+CS(=O)(=O)c1cc(F)ccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3697173,7.7
+CN(c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)S(C)(=O)=O,CHEMBL3697174,6.45
+CCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3697175,7.82
+CN(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)S(C)(=O)=O,CHEMBL3697176,7.82
+CCS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3697177,8.15
+CCS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697178,7.49
+CC(C)CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1,CHEMBL3697179,8.4
+CCN(c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)S(C)(=O)=O,CHEMBL3697180,7.72
+CC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697181,7.6
+O=C(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1,CHEMBL3697182,7.8
+Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cn1,CHEMBL3697183,6.36
+O=C(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1,CHEMBL3697184,7.32
+CC(C)(C)NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697185,6.44
+CC(C)(C)NC(=O)c1cc(F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697186,7.08
+CCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697187,7.85
+C[C@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3697188,6.11
+C[C@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3697189,7.74
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)NC3CCCCC3)cc2F)cn1,CHEMBL3697192,6.1
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3697193,6.83
+CNC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697194,5.71
+C[C@@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3697195,6.67
+C[C@H](CO)NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697196,6.35
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC(O)CC3)cc2F)cn1,CHEMBL3697198,6.88
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCOCC3)cc2F)cn1,CHEMBL3697205,8.3
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCOCC3)cc2F)cn1,CHEMBL3697206,6.46
+Nc1nccc(Oc2ccccc2-c2ccc(-c3cnc4[nH]ccc4c3)c(F)c2)n1,CHEMBL3697207,9.0
+Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc4[nH]ccc4c3)c(F)c2)n1,CHEMBL3697208,9.0
+Fc1cc(-c2ccccc2Oc2ncccn2)ccc1-c1cnc2[nH]ccc2c1,CHEMBL3697209,8.52
+Nc1cnc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1,CHEMBL3697210,8.1
+Nc1ncc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1,CHEMBL3697211,7.13
+Nc1cnc(-c2ccc(-c3ccccc3Oc3nccc(N)n3)cc2F)cn1,CHEMBL3697212,8.3
+Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697213,7.44
+N#Cc1cccc(COc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3697214,7.47
+N#Cc1cccnc1COc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697215,8.1
+N#Cc1cccnc1Oc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697216,8.22
+Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cc2F)cn1,CHEMBL3697217,8.3
+Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cc2F)cn1,CHEMBL3697218,7.92
+Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(N)ncn3)cc2F)cn1,CHEMBL3697219,9.0
+Nc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1,CHEMBL3697220,7.68
+N#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)ccn1,CHEMBL3697221,8.52
+N#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1,CHEMBL3697222,7.7
+Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(N4CCC4)ncn3)cc2F)cn1,CHEMBL3697223,8.7
+Nc1ncc(-c2ccc(-c3ccccc3Oc3cc(N4CCC4)ncn3)cc2F)cn1,CHEMBL3697224,7.8
+Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3697225,7.92
+Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697226,6.97
+Fc1cc(-c2ccccc2Oc2ncccn2)ccc1-c1ccc2nc[nH]c2c1,CHEMBL3697227,6.35
+Fc1cc(-c2ccccc2Oc2ncccn2)ccc1-c1cnc2nc[nH]c2c1,CHEMBL3697228,7.55
+Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3639960,7.92
+Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697229,6.83
+Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)n3)cc2F)cn1,CHEMBL3697230,7.46
+Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)n3)cc2F)cn1,CHEMBL3697231,6.33
+COc1cnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1,CHEMBL3697232,8.05
+COc1cnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1,CHEMBL3697233,8.7
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cc2F)cn1,CHEMBL3697234,8.3
+COc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697235,7.72
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2F)cn1,CHEMBL3697236,8.7
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cc2F)cn1,CHEMBL3697237,8.7
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3nccc(N)n3)cc2F)cn1,CHEMBL3697238,9.0
+C[Si](C)(C)CCOCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697239,6.83
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2F)cn1,CHEMBL3697240,7.92
+Nc1ccnc(Oc2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697241,8.7
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cc2F)cn1,CHEMBL3697242,8.3
+Nc1cc(Oc2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1,CHEMBL3697243,8.4
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2F)cn1,CHEMBL3697244,7.26
+N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697245,7.7
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cn2)cn1,CHEMBL3697246,6.7
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cn2)cn1,CHEMBL3697247,7.09
+Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cn2)cn1,CHEMBL3697249,5.95
+Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)nc2)n1,CHEMBL3697250,5.6
+Cc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc1-c1cnc(N)cn1,CHEMBL3697251,7.15
+COc1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc1-c1cnc(N)cn1,CHEMBL3697252,7.46
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1,CHEMBL3697253,8.7
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1,CHEMBL3697254,6.43
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)cn1,CHEMBL3697255,6.94
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F,CHEMBL3697256,7.82
+CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F,CHEMBL3697257,6.12
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2coc(N)n2)c(F)c1,CHEMBL3697258,8.1
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2csc(N)n2)c(F)c1,CHEMBL3697259,8.0
+CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2csc(N)n2)c(F)c1,CHEMBL3697260,7.6
+Nc1nc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cs1,CHEMBL3697261,7.02
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3cccc(F)c3n2)c(F)c1,CHEMBL3697262,7.26
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3c(N)cccc3n2)c(F)c1,CHEMBL3697263,7.22
+COc1cccc2nc(-c3ccc(-c4ccccc4S(=O)(=O)NC(C)(C)C)cc3F)cn12,CHEMBL3697269,6.88
+Cc1cc(-c2ccccc2S(=O)(=O)N(C)C)ccc1-c1cnc(N)cn1,CHEMBL3697272,5.6
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3c(c2)CC(=O)N3)c(F)c1,CHEMBL3697276,5.6
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3n[nH]c(N)c3c2)c(F)c1,CHEMBL3697278,5.6
+Nc1cnc(-c2ccc(-c3ccccc3-c3ccc(-c4cnc(N)cn4)c(F)c3)cc2F)cn1,CHEMBL3697283,9.22
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)O)cc2F)cn1,CHEMBL3697284,7.56
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C=O)cc2F)cn1,CHEMBL3697285,8.3
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2F)cn1,CHEMBL3697286,8.72
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCC(N)CC3)cc2F)cn1,CHEMBL3697287,7.33
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CNCCO)cc2F)cn1,CHEMBL3697288,6.86
+Cc1cc(C)nc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3697289,7.54
+Cc1cc(C)nc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697290,6.61
+Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1,CHEMBL3697291,7.56
+Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1,CHEMBL3697292,6.6
+Nc1cnc(-c2ccc(-c3ccccc3Oc3nccc(C(F)(F)F)n3)cc2F)cn1,CHEMBL3697293,7.84
+Nc1ncc(-c2ccc(-c3ccccc3Oc3nccc(C(F)(F)F)n3)cc2F)cn1,CHEMBL3697294,6.67
+N#Cc1cccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697295,7.84
+N#Cc1cccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3697296,8.47
+Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1,CHEMBL3697297,8.72
+Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1,CHEMBL3697298,8.3
+Cc1nc(N)cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,CHEMBL3697299,7.34
+Cc1nc(N)cc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1,CHEMBL3697300,8.31
+Nc1cnc(-c2ccc(-c3ccccc3Oc3cccc(C(F)(F)F)n3)cc2F)cn1,CHEMBL3697301,8.11
+N#Cc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1,CHEMBL3697302,8.21
+N#Cc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1,CHEMBL3697303,7.36
+Nc1cnc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1,CHEMBL3697304,6.47
+Nc1ncc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1,CHEMBL3697305,6.08
+Nc1cnc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1,CHEMBL3697306,5.72
+Nc1cnc(-c2ccc(-c3ccccc3O[C@H]3CCCNC3)cc2F)cn1,CHEMBL3697308,6.51
+Nc1ncc(-c2ccc(-c3ccccc3O[C@H]3CCCNC3)cc2F)cn1,CHEMBL3697309,5.96
+Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(C4CC4)ncn3)cc2F)cn1,CHEMBL3697310,8.34
+Nc1ncc(-c2ccc(-c3ccccc3Oc3cc(C4CC4)ncn3)cc2F)cn1,CHEMBL3697311,7.73
+Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)c3)cc2F)cn1,CHEMBL3697312,8.85
+Nc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1,CHEMBL3697313,8.14
+NCCOc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697314,5.87
+N#CCOc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697316,7.1
+N#CCOc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697317,6.49
+Nc1cnc(-c2ccc(-c3cccnc3OCCO)cc2F)cn1,CHEMBL3697320,6.08
+Nc1ncc(-c2ccc(-c3cccnc3O[C@H]3CC[C@H](N)CC3)cc2F)cn1,CHEMBL3697321,6.51
+Nc1cnc(-c2ccc(-c3cccnc3O[C@H]3CC[C@H](N)CC3)cc2F)cn1,CHEMBL3697322,7.2
+Nc1cnc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1,CHEMBL3697323,7.76
+Nc1ncc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1,CHEMBL3697324,6.89
+C[C@@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697325,6.3
+C[C@@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697326,5.86
+CS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3697327,6.12
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1,CHEMBL3639961,7.08
+CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3697328,5.6
+Nc1ccc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1,CHEMBL3697329,5.91
+Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CO4)cc2F)cn1,CHEMBL3697330,8.24
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3(O)CNC3)cc2F)cn1,CHEMBL3697331,8.3
+CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3697332,8.59
+C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1,CHEMBL3697333,8.49
+CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(F)c2)c(F)c1,CHEMBL3697334,8.22
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(O)C3)cc2F)cc1F,CHEMBL3697335,7.64
+C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(F)c2)c(F)c1,CHEMBL3697336,8.4
+CC(=O)NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)c(F)c3)c(F)c2)CC1,CHEMBL3697337,7.01
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(CCO)C3)cc2F)cc1F,CHEMBL3697338,7.8
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(CO)C3)cc2F)cc1F,CHEMBL3697339,7.86
+C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1cnc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697340,6.87
+CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cnc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697341,8.62
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697342,9.15
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1,CHEMBL3697343,6.63
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(F)(F)C3)cn2)cn1,CHEMBL3697346,6.88
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)C3)cn2)cn1,CHEMBL3697347,6.21
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCCC3)cn2)cn1,CHEMBL3697348,7.28
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)CC3)cn2)cn1,CHEMBL3697349,6.65
+CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697350,6.22
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C3CC3)C3CC3)cn2)cn1,CHEMBL3697351,7.33
+C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1)C(F)(F)F,CHEMBL3697352,7.28
+C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1)C(F)(F)F,CHEMBL3697353,6.48
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cn2)cn1,CHEMBL3697354,6.13
+C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697355,6.16
+C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697356,6.31
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)NCCO)cn2)cn1,CHEMBL3697357,6.75
+CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697359,7.27
+CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697360,7.31
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1,CHEMBL3697361,6.17
+N#Cc1nc(-c2ccc(-c3ccccc3Oc3nccc(N)n3)cc2F)cnc1N,CHEMBL3697362,8.08
+Nc1cnc(-c2ccc(-c3ccc(Br)cc3F)cc2F)cn1,CHEMBL3697363,6.6
+COc1c(-c2ccc(C(F)(F)F)cc2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3697365,8.06
+N#Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3697367,5.85
+Nc1cnc(-c2ccc(-c3ccccc3N3CCNC3=O)cc2F)cn1,CHEMBL3697368,6.52
+N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1F,CHEMBL3697370,6.99
+CNC(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1,CHEMBL3697371,7.06
+N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)NCCO)cc1F,CHEMBL3697372,7.1
+C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697373,7.49
+C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697374,7.63
+NC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CC1,CHEMBL3697375,8.27
+C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697376,7.86
+C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697377,7.38
+N#Cc1nc(N)cnc1-c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)NCCO)cc1F,CHEMBL3697378,8.72
+CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697379,8.77
+CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1,CHEMBL3697380,8.62
+N#Cc1nc(N)cnc1-c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCNC(=O)C2)cc1F,CHEMBL3697381,8.09
+CC(C)(C)C(O)=CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3697383,6.0
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3cc(N)ncn3)cc2F)cn1,CHEMBL3700767,6.04
+Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3nccc(N)n3)cc2F)cn1,CHEMBL3700768,6.32
+Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)CC3CC3)cc2F)cn1,CHEMBL3700769,6.11
+N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)C2CC2)cc1F,CHEMBL3700770,7.19
+N#CC1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCCC1,CHEMBL3700771,8.17
+NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCCC1,CHEMBL3700772,7.83
+CC(C)(C#N)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700773,6.25
+CC(C)(C#N)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700776,7.49
+CC(C)(C(N)=O)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700777,6.48
+CC(C)(CN)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700778,6.01
+N#CC1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1,CHEMBL3700779,6.62
+NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1,CHEMBL3700780,6.43
+Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3700782,8.34
+Nc1cnc(-c2ccc(-c3ccccc3Sc3cncc(N)n3)cc2F)cn1,CHEMBL3700783,8.54
+Nc1cnc(-c2ccc(-c3ccccc3Sc3ccncn3)cc2F)cn1,CHEMBL3700784,8.8
+Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1,CHEMBL3700785,7.81
+N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2Oc2nccc(N)n2)cc1F,CHEMBL3700786,7.93
+N#Cc1nc(N)cnc1-c1ccc(-c2ccc(C(F)(F)F)cc2Oc2ncccn2)cc1F,CHEMBL3700787,8.7
+N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2Oc2ncccn2)cc1F,CHEMBL3700788,7.57
+CCS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700790,6.61
+CS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700791,5.94
+CC(C)S(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700792,7.09
+Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)c3ncccn3)cc2F)cn1,CHEMBL3639996,6.87
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1,CHEMBL3700793,7.16
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CC(O)C3)cc2F)cn1,CHEMBL3700794,6.03
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3700796,8.28
+CC(O)C1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1,CHEMBL3700797,6.25
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)NCCO)cc2F)cn1,CHEMBL3700799,5.94
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@@H](O)C3)cc2F)cn1,CHEMBL3700801,6.8
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1,CHEMBL3700802,5.95
+Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1,CHEMBL3700805,5.72
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1,CHEMBL3700807,6.24
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CC[C@@H](O)C3)cc2F)cn1,CHEMBL3700808,5.81
+CC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)O1,CHEMBL3700812,6.65
+C[C@@H]1COCCN1C(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700814,5.6
+O=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1,CHEMBL3700816,6.14
+CC(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700819,8.1
+C[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700820,8.07
+C[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700821,7.22
+C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3700822,8.04
+C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3700823,7.75
+C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F,CHEMBL3700824,6.89
+C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F,CHEMBL3700825,8.82
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3700828,6.55
+CC(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700829,7.48
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCC(O)CC3)cc2F)cn1,CHEMBL3700830,8.07
+Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCC(O)CC3)cc2F)cn1,CHEMBL3700831,6.41
+Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(CO)C3)cc2F)cn1,CHEMBL3700833,6.59
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNC3)cc2F)cn1,CHEMBL3700838,6.97
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNC3)cc2F)cn1,CHEMBL3700839,6.2
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1,CHEMBL3700840,7.53
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1,CHEMBL3700841,8.74
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1,CHEMBL3700842,8.24
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1,CHEMBL3700843,9.4
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1,CHEMBL3700844,8.42
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1,CHEMBL3700845,9.22
+CC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700846,6.5
+CC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700847,8.07
+CCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700848,7.47
+CCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700849,8.55
+CC(=O)N1CCC(S(=O)(=O)c2ncccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CC1,CHEMBL3700850,6.59
+CC(=O)N1CCC(S(=O)(=O)c2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1,CHEMBL3700851,7.66
+COCCCS(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700852,6.33
+COCCCS(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1,CHEMBL3700853,7.57
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3700854,7.39
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1,CHEMBL3700855,8.48
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)CCN3CCOCC3)cc2F)cn1,CHEMBL3700857,6.55
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1,CHEMBL3700858,6.72
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1,CHEMBL3700859,7.99
+CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1,CHEMBL3700860,6.56
+CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1,CHEMBL3700861,9.15
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1,CHEMBL3700863,6.94
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1,CHEMBL3700864,8.49
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1,CHEMBL3700865,8.54
+Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1,CHEMBL3700866,6.88
+Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1,CHEMBL3700867,5.88
+Nc1cnc(-c2ccc(-c3ccccc3)c(F)c2F)cn1,CHEMBL3700868,6.3
+COc1c(-c2ccccc2)ccc(-c2cnc(N)cn2)c1F,CHEMBL3700869,7.31
+COc1c(-c2ccccc2S(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F,CHEMBL3700870,6.45
+COc1c(-c2ccccc2S(=O)(=O)NC(C)(C)C)ccc(-c2cnc(N)cn2)c1F,CHEMBL3700871,7.59
+COc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F,CHEMBL3700872,5.76
+Nc1cnc(-c2ccc(-c3ccccc3-c3cnccn3)cc2F)cn1,CHEMBL3700873,7.54
+Nc1ncc(-c2ccc(-c3ccccc3-c3cnccn3)cc2F)cn1,CHEMBL3700874,6.08
+Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N)cn3)cc2F)cn1,CHEMBL3700875,7.9
+Nc1cnc(-c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1,CHEMBL3700876,6.84
+Nc1cnc(-c2ccc(-c3ccccc3-c3cncc(N)n3)cc2F)cn1,CHEMBL3700877,8.28
+Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1,CHEMBL3700878,7.81
+Nc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1,CHEMBL3700879,6.29
+COc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3700881,7.98
+Cn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3700882,8.09
+Nc1cnc(-c2ccc(-c3ccccc3-c3cncnc3)cc2F)cn1,CHEMBL3700883,7.01
+N#Cc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3700884,7.45
+Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N4CCOCC4)nc3)cc2F)cn1,CHEMBL3700885,7.42
+CC(C)(O)Cn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1,CHEMBL3700886,7.49
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cc2F)cn1,CHEMBL3700887,6.93
+Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3-c3cnc(N)nc3)cc2F)cn1,CHEMBL3700888,8.33
+Nc1ncc(-c2ccccc2-c2cnc(-c3cnc(N)nc3)c(F)c2)cn1,CHEMBL3700889,5.89
+Nc1cnc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1,CHEMBL3700891,7.22
+Nc1cnc(-c2ccc(-c3ccccc3N3CCCCS3(=O)=O)cc2F)cn1,CHEMBL3639997,7.55
+Nc1ncc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1,CHEMBL3700892,6.68
+Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3)cc2F)cn1,CHEMBL3700893,5.9
+Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3=O)cc2F)cn1,CHEMBL3700894,5.83
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)c(F)c4)c3c2)nc1,CHEMBL3662240,8.6
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3662241,8.0
+Cc1ccc(COc2ccc3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3662242,7.74
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1,CHEMBL3662243,8.35
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1,CHEMBL3662244,9.13
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1,CHEMBL3662245,5.7
+Cc1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1,CHEMBL3662246,8.02
+CCC(CC)Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1cccc(Br)c1,CHEMBL3662247,7.25
+Cc1ccc(COc2ccc3nc([C@H]4[C@@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4F)c3c2)nc1,CHEMBL3662249,7.64
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(C#N)cc1)C(=O)O,CHEMBL3662251,6.12
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)c(F)c4)c3c2)nc1,CHEMBL3662252,8.1
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)nc1,CHEMBL3662253,8.05
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)O,CHEMBL3662254,7.62
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1F)C(=O)O,CHEMBL3662255,7.74
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)O,CHEMBL3662256,7.96
+Cc1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)P)C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3697388,7.21
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)nc1,CHEMBL3662258,8.37
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3662260,5.6
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)c(F)c1)C(=O)O,CHEMBL3662261,7.1
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3662262,8.39
+Cc1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1,CHEMBL3662265,8.72
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)nc1,CHEMBL3662267,7.795
+Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3662268,8.185
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3662269,7.49
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(N2CCCCC2)cc1)C(=O)O,CHEMBL3662270,6.03
+Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1,CHEMBL3662271,8.14
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+Cn1ccc(COc2ccc3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3662272,6.96
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1,CHEMBL3662273,6.31
+Cn1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1,CHEMBL3662274,6.12
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(C#N)cc1)C(=O)O,CHEMBL3662275,5.73
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)O,CHEMBL3662276,7.0
+Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1,CHEMBL3662278,8.52
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+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1F)C(=O)O,CHEMBL3662281,7.34
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)c(F)c1)C(=O)O,CHEMBL3639611,7.35
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(Br)cc1F)C(=O)O,CHEMBL3662282,7.24
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+Cc1ccc(COc2cc(F)c3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3662284,7.29
+Cc1ccc(COc2cc(F)c3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666892,8.22
+Cc1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666893,8.09
+Cc1ccc(COc2cc(F)c3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3697390,7.64
+Cc1ccc(Cn2c(C3[C@@H](C(=O)O)C3(C)C)nc3c(F)cc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666895,6.54
+CCC(CC)(Cc1nc2c(F)cc(OCc3ccc(C)cn3)cc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3666896,8.22
+Cc1ccc(COc2cc(F)c3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3666897,8.11
+Cc1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3666898,7.96
+Cc1ccc(Cn2c(C3CCCC[C@H]3C(=O)O)nc3c(F)cc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666899,7.85
+CCC(CC)(Cc1nc2c(F)cc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)O,CHEMBL3666900,7.77
+Cc1ccc(Cn2c(C3CCCC[C@@H]3C(=O)O)nc3c(F)cc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666901,7.33
+CCC(CC)(Cc1nc2c(F)cc(OCc3ccc(C)cn3)cc2n1Cc1ccc(C)cc1)C(=O)O,CHEMBL3666902,7.31
+Cc1ccc(COc2cc(F)c3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(C(F)(F)F)cc4)c3c2)nc1,CHEMBL3666903,7.22
+Cc1ccc(Cn2c(CC3(C(=O)O)CCCC3)nc3c(F)cc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666904,7.28
+Cc1ccc(COc2cc(F)c3nc(C4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3666905,7.12
+Cc1ccc(COc2cc(Cl)c3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666906,8.24
+Cc1ccc(COc2cc(Cl)c3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666907,7.68
+Cc1ccc(COc2cc(Cl)c3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666908,7.72
+Cc1ccc(COc2cc(Cl)c3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666909,7.62
+Cc1ccc(COc2cc(Cl)c3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666910,7.07
+Cc1ccc(COc2ccc3nc(C4CCCCC4)n(Cc4ccc(-c5ncc(Cl)cn5)cc4)c3c2)nc1,CHEMBL3666911,8.48
+Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666912,8.54
+Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1,CHEMBL3666913,8.1
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+COc1cc(OC(F)(F)F)ccc1Cn1c([C@H]2CCCC[C@H]2C(=O)O)nc2ccc(OCc3ccn(C)n3)cc21,CHEMBL3666915,8.23
+Cn1cc(F)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1,CHEMBL3666916,8.85
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)CC5)cc4)c3c2)n1,CHEMBL3666917,8.01
+Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4)c3c2)n1,CHEMBL3666918,7.82
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1,CHEMBL3666919,7.49
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)n1,CHEMBL3666920,7.49
+Cn1ccc(COc2cc3c(cc2F)nc([C@@H]2CCCC[C@@H]2C(=O)O)n3Cc2ccc(OC(F)(F)F)cc2F)n1,CHEMBL3666921,7.57
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2F)n1,CHEMBL3666922,8.18
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1C)C(=O)O,CHEMBL3666923,6.6
+Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666924,8.96
+Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)n1,CHEMBL3666925,8.62
+Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1,CHEMBL3666926,8.44
+Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1,CHEMBL3666927,8.15
+Cc1ccc(Cn2c([C@@H]3CCCC[C@@H]3C(=O)O)nc3c(F)cc(OCc4ccn(C)n4)cc32)cc1,CHEMBL3666928,8.12
+Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1,CHEMBL3666929,7.24
+Cc1cc(OC(F)(F)F)ccc1Cn1c([C@@H]2CCCC[C@@H]2C(=O)O)nc2ccc(OCc3ccn(C)n3)cc21,CHEMBL3666930,7.74
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4C)c3c2)nc1,CHEMBL3666931,7.72
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Cl)c3c2)nc1,CHEMBL3666932,7.68
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Br)c3c2)nc1,CHEMBL3666933,7.62
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Cl)c3c2)n1,CHEMBL3666934,7.52
+Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Br)c3c2)n1,CHEMBL3639658,7.52
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1C)C(=O)O,CHEMBL3666935,7.4
+Cc1cc(Cn2c([C@@H]3CCCC[C@@H]3C(=O)O)nc3ccc(OCc4ccn(C)n4)cc32)ccc1OC(F)(F)F,CHEMBL3666936,8.27
+Cn1ccc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666937,6.37
+Cc1cccc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666938,5.65
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)c(C)c4)c3c2)nc1,CHEMBL3666939,8.59
+Cc1ccc(COc2cc3c(cc2Cl)nc([C@H]2CCCC[C@H]2C(=O)O)n3Cc2ccc(OC(F)(F)F)cc2F)nc1,CHEMBL3666940,6.04
+Cc1ccc(COc2ccc3nc(C4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666941,7.62
+Cc1ccc(COc2ccc3nc([C@H]4[C@@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3697391,5.75
+Cc1ccc(COc2ccc3nc([C@@H]4[C@@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666943,6.11
+Cc1ccc(COc2ccc3nc(C4[C@@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666942,5.89
+Cc1ccc(COc2ccc3nc([C@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666944,6.4
+Cn1ccc(COc2ccc3nc([C@@H]4[C@@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666945,5.73
+Cc1ccc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666946,6.89
+Cc1ccc(Cn2c([C@@H]3CCCC[C@@H]3C(=O)O)nc3ccc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666947,8.18
+Cc1ccc(Cn2c([C@H]3CCCC[C@@H]3C(=O)O)nc3ccc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666948,7.89
+Cc1ccc(Cn2c([C@@H]3[C@H](C(=O)O)C3(C)C)nc3ccc(OCc4ccc(C)cn4)cc32)cc1,CHEMBL3666949,6.82
+Cn1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1,CHEMBL3666950,6.08
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1,CHEMBL3666951,9.21
+Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1,CHEMBL3666952,9.28
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1,CHEMBL3666953,8.96
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)nc1,CHEMBL3666954,8.96
+Cc1ccc(Cn2c(CC(C)(C)C(=O)O)nc3ccc(OCc4ncc(C)cc4F)cc32)c(F)c1,CHEMBL3666955,6.8
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1,CHEMBL3666956,8.07
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)c(F)c1,CHEMBL3666957,7.85
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1,CHEMBL3666958,7.82
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)c(F)c1,CHEMBL3666959,7.62
+Cc1cnc(COc2ccc3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)c(F)c1,CHEMBL3666960,8.54
+Cc1cccc(COc2ccc3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)n1,CHEMBL3666961,5.82
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+CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(C#N)cc1)C(=O)O,CHEMBL3666963,7.92
+CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(=O)O,CHEMBL3666964,9.19
+Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4c(F)cc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)c(F)c1,CHEMBL3666965,9.18
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+Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)c(F)c1,CHEMBL3666967,9.33
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)nc1,CHEMBL3666968,8.52
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)c(F)c1,CHEMBL3666969,8.29
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)c(F)c1,CHEMBL3666970,8.13
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)c(F)c1,CHEMBL3666971,7.89
+COc1ncc(-c2ccc(Cn3c(C4CCCC[C@H]4C(=O)O)nc4ccc(OCc5ccc(C)cn5)cc43)cc2)cn1,CHEMBL3697392,7.19
+Cc1ccc(COc2ccc3nc(C4CCCCC4C(=O)O)n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1,CHEMBL3697393,8.14
+Cc1ccc(COc2ccc3nc(C4CCCCC4C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1,CHEMBL3697394,7.96
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1,CHEMBL3667018,8.89
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1,CHEMBL3667017,6.48
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL3666975,7.44
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+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4)c3c2)nc1,CHEMBL3666978,8.62
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCCC(F)(F)C5)cc4)c3c2)nc1,CHEMBL3666979,8.36
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)CC5)cc4)c3c2)nc1,CHEMBL3666980,8.43
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(N2CCCC(F)(F)C2)cc1)C(=O)O,CHEMBL3666981,6.21
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)nc1,CHEMBL3666982,8.17
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)nc1,CHEMBL3666983,8.52
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)nc1,CHEMBL3666984,6.57
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)nc1,CHEMBL3666985,8.14
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)nc1,CHEMBL3666986,8.42
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)CC5)cc4F)c3c2)nc1,CHEMBL3666987,8.4
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666988,8.32
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666989,9.02
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666990,6.12
+Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666991,7.96
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666992,6.43
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666993,8.66
+Cn1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)n1,CHEMBL3697395,8.11
+Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1,CHEMBL3666995,7.92
+CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(N2CCC(F)(F)CC2)cc1)C(=O)O,CHEMBL3666996,7.0
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)nc1,CHEMBL3666997,7.89
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1,CHEMBL3666998,9.08
+Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1,CHEMBL3667000,9.47
+Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4)c3c2)c(F)c1,CHEMBL3667001,9.38
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4F)c3c2)c(F)c1,CHEMBL3667002,8.96
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4)c3c2)c(F)c1,CHEMBL3667003,8.92
+Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)c(F)c1,CHEMBL3667004,8.89
+CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(N2CCC(C)CC2)cc1F)C(=O)O,CHEMBL3667006,8.28
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(N5CC(C(F)(F)F)C5)cc4F)c3c2)c(F)c1,CHEMBL3667007,7.89
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(N5CCC(C(C)(C)C)CC5)cc4)c3c2)c(F)c1,CHEMBL3667008,7.82
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4)c3c2)c(F)c1,CHEMBL3667009,7.6
+Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1,CHEMBL3667010,7.52
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F)C(=O)O,CHEMBL3667011,8.067
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O,CHEMBL3697396,7.92
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1F)C(=O)O,CHEMBL3667012,7.54
+CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1)C(=O)O,CHEMBL3667013,6.68
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3667014,8.85
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3667015,6.08
+Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3667016,8.66
+Cc1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1,CHEMBL3662257,7.21
+Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)c(Cl)c4)c3c2)nc1,CHEMBL3662263,8.25
+Cc1ccc(COc2cc(F)c3nc(C4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1,CHEMBL3666894,7.64
+COc1ncc(-c2ccc(Cn3c(C4CCCCC4)nc4ccc(OCc5ccc(C)cn5)cc43)cc2)cn1,CHEMBL3666972,7.19
+Cc1ccc(COc2ccc3nc(C4CCCCC4)n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1,CHEMBL3666973,8.14
+Cc1ccc(COc2ccc3nc(C4CCCCC4)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1,CHEMBL3666974,7.96
+Cn1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)n1,CHEMBL3666994,8.11
diff --git a/chembl_200/CHEMBL4552.csv b/chembl_200/CHEMBL4552.csv
new file mode 100644
index 0000000000000000000000000000000000000000..0afbf344f3cde7acef79045ab6e6b34aa07a34ab
--- /dev/null
+++ b/chembl_200/CHEMBL4552.csv
@@ -0,0 +1,649 @@
+CCN(CC)C(=S)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL326302,8.82
+CN(C)C(=O)OC1=C(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc21,CHEMBL114508,7.84
+CC(=O)C1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL323793,7.6
+Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ccccc3O2)cc1,CHEMBL117444,9.043
+CC(=O)OCC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL115004,6.12
+CC(=O)OC1=C(c2ccccc2)Sc2ccc(C)cc2-n2cccc21,CHEMBL326066,6.58
+COC(=O)C1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL332933,7.24
+CCN(CC)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL115740,9.59
+CC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21,CHEMBL33083,8.12
+CN(C)C(=O)OC1=C(c2ccccc2)Sc2c(Cl)cccc2-n2cccc21,CHEMBL117589,8.642999999999999
+CC(=O)OC1=C(c2ccccc2)Sc2cc(C)ccc2-n2cccc21,CHEMBL324500,7.36
+CN(C)C(=O)OC1=C(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc21,CHEMBL325649,8.693
+CC(=O)OC1=C(c2ccc(Cl)cc2)Sc2ccccc2-n2cccc21,CHEMBL116087,7.725
+CCC1=C(OC(=O)N(C)C)c2cccn2-c2ccccc2O1,CHEMBL115704,6.64
+CC(=O)OC1=C(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc21,CHEMBL325858,7.52
+CN(C)C(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21,CHEMBL288551,8.255
+CC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL326943,8.33
+CC(=O)OC1=C(c2ccc(C)cc2)Oc2ccccc2-n2cccc21,CHEMBL326772,8.787
+O=C(OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21)C1CCCCC1,CHEMBL325471,7.49
+CC(=O)OC1=C(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc21,CHEMBL117025,6.97
+CN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL325169,8.933
+CN(C)C(=O)OC1=C(c2ccccc2)Oc2c(Cl)cccc2-n2cccc21,CHEMBL325953,9.29
+CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,CHEMBL12,6.24
+COc1ccc([C@H]2Sc3ccccc3-n3c(CN(C)C)ccc3[C@H]2OC(C)=O)cc1,CHEMBL319316,7.2
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C,CHEMBL320728,7.96
+CCNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)OC,CHEMBL111073,6.84
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCO,CHEMBL321595,6.52
+COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2ccnc21,CHEMBL111056,7.1
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O,CHEMBL108991,8.15
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccncc1,CHEMBL109187,5.91
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cc(C)nc21,CHEMBL320277,8.15
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCc1cnc[nH]1,CHEMBL326440,6.68
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)cnc21,CHEMBL321824,8.1
+COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2cc(C)nc21,CHEMBL325802,7.22
+CNC1=Nc2ccc(Cl)cc2C(c2ccccn2)=N[C@H]1CCC(=O)OC,CHEMBL111701,5.97
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCC(C)C,CHEMBL110953,5.99
+Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,CHEMBL655,8.7
+COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=O,CHEMBL108446,6.86
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)OC,CHEMBL109507,7.02
+COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)cnc21,CHEMBL322701,7.01
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2ccnc21,CHEMBL111633,8.15
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCc1ccncc1,CHEMBL321596,6.1
+COC(=O)CC[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C,CHEMBL108709,5.45
+COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c1nc(C)c2C,CHEMBL111030,6.89
+CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,CHEMBL451,6.36
+COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccccc1,CHEMBL109694,6.06
+COc1ccc([C@H]2Sc3c(Cl)cccc3-n3c(CN(C)C)ccc3[C@H]2OC(C)=O)cc1,CHEMBL318007,8.0
+CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1,CHEMBL99871,6.24
+CCN(CC)C(=O)OC1=C(c2cccc(C)c2)Oc2cccnc2-n2cccc21,CHEMBL335300,9.25
+CC(=O)OC1=C(c2cccc(C)c2)Oc2ccccc2-n2cccc21,CHEMBL135484,8.6
+CCN(CC)C(=O)OC1=C(c2ccccc2)Cc2ccccc2-n2cccc21,CHEMBL336903,8.24
+CCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL341455,9.11
+Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1,CHEMBL136926,9.36
+CCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL335085,9.16
+CCN(CC)C(=O)OC1=C(c2cc(F)cc(F)c2)Oc2ccccc2-n2cccc21,CHEMBL135428,8.9
+CCNC(=O)OC1=C(c2ccccc2)Oc2c(Cl)cccc2-n2cccc21,CHEMBL135391,9.74
+CNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL336774,8.93
+CCCNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL135801,9.04
+CC(=O)OC1=C(c2ccc(C)cc2)Oc2cccnc2-n2cccc21,CHEMBL137600,7.87
+CCNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL135514,9.887
+CCCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21,CHEMBL134282,9.04
+O=C(OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21)N1CCC1,CHEMBL132915,8.27
+CCN(CC)C(=O)OC1=C(c2cccs2)Oc2ccccc2-n2cccc21,CHEMBL135663,7.94
+CCNC(=O)OC1=C(c2ccc(C)cc2)Oc2ccccc2-n2cccc21,CHEMBL133144,9.17
+CCN(CC)C(=O)OC1=C(c2cccc(C)c2)Oc2ccccc2-n2cccc21,CHEMBL134781,8.92
+CCN(CC)C(=O)OC1=C(c2cccs2)Oc2cccnc2-n2cccc21,CHEMBL136036,9.64
+COc1ccc(C2=C(OS(C)(=O)=O)c3cccn3-c3ccccc3S2)cc1,CHEMBL286909,7.02
+COC1=C(c2ccccc2)Sc2ccccc2-n2cccc21,CHEMBL142639,5.15
+C1=C(c2ccccc2)Sc2ccccc2-n2cccc21,CHEMBL358133,5.5
+COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1,CHEMBL63065,9.77
+COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1,CHEMBL292092,10.105
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL299487,8.37
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL300128,7.23
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(C)cc2)[nH]c2ccccc12,CHEMBL55135,8.8
+O=C(C(=O)N1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL55648,5.62
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL300762,8.72
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL294423,8.33
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL54066,8.31
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL55781,9.21
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL53259,8.24
+CC(C)N(C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C,CHEMBL301836,6.99
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C)cc2)[nH]c2ccccc12,CHEMBL53255,8.26
+CCCCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL55316,5.93
+CCC(C)N(C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)CC,CHEMBL55190,7.77
+O=C(C(=O)N1CCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL299975,6.18
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL54627,8.55
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL292847,9.0
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL431938,8.12
+CCCCCN(CCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL291774,7.8
+O=C(C(=O)N1CCCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL54740,7.48
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL55162,9.26
+CCCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL53277,6.09
+CCN(CC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL55126,7.37
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL56058,7.91
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL294625,8.85
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL53430,9.43
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL54403,8.62
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(C)cc2)[nH]c2ccccc12,CHEMBL431747,8.42
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL432608,9.3
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(N)cccn12,CHEMBL339816,8.8
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL63154,8.33
+CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(I)ccc21,CHEMBL293009,7.88
+CN1C(=O)CN=C(c2ccc(I)cc2)c2cc(Cl)ccc21,CHEMBL65087,7.87
+COc1ccc(OCI)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1,CHEMBL72521,8.32
+COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1,CHEMBL443526,7.74
+CCCCCCN(CCCCCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL99808,8.11
+CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccc(Cl)cc12,CHEMBL99809,7.11
+CCCCN(CCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL316711,7.35
+CCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL98809,6.1
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12,CHEMBL98613,8.64
+CCCCCCN(CCCCCC)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL99069,6.7
+CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2cc(F)ccc12,CHEMBL99563,6.69
+CCCN(CCC)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12,CHEMBL99246,6.7
+CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)CCCc1ccccc1-2,CHEMBL327952,6.48
+CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL327286,7.0
+CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2c(F)cccc12,CHEMBL319285,6.68
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12,CHEMBL99421,6.47
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccccc12,CHEMBL328841,6.67
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL98081,8.01
+CCCN(CCC)C(=O)/C=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL317079,6.4
+CCCN(CCC)C(=O)Cc1c(-c2ccc(I)cc2)[nH]c2ccccc12,CHEMBL98606,6.67
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL95214,7.18
+CCCN(CCC)C(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL100377,7.15
+CCCCCCNC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL329499,7.02
+CCCN(CCC)C(=O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccccc12,CHEMBL99726,6.17
+CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccccc12,CHEMBL100256,6.52
+CCN(CC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL99509,6.81
+CCCCCCNC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL97882,6.49
+CN(C)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL320626,6.77
+O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1,CHEMBL100029,6.46
+CCCN(CCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL97845,7.0
+CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2,CHEMBL98033,7.7
+O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1,CHEMBL329765,6.47
+CCCCCN(CCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL318884,7.82
+CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)[nH]c2ccc(C)cc12,CHEMBL100103,7.18
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL99918,8.39
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL98572,8.44
+Cc1ccc(-c2[nH]c3ccc(C)cc3c2CC(=O)N(C)C)cc1,CHEMBL95249,6.82
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL97269,8.41
+O=C(Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1Br,CHEMBL98382,6.32
+CCCCCCN(C)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL330211,6.87
+CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,CHEMBL416715,9.15
+CN(CCc1ccccn1)C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12,CHEMBL179427,5.665
+O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)Nc1ccncc1,CHEMBL176047,5.72
+CCCCNC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL179459,6.77
+O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1,CHEMBL361857,6.07
+CCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL178778,5.93
+CC(C(=O)N(C)C1CCCCC1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL180225,5.59
+CC(C(=O)N(C)Cc1ccccc1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL435489,5.16
+CCCCN(C)C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12,CHEMBL180279,8.715
+CCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12,CHEMBL179432,8.545
+CCC(C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1,CHEMBL360798,8.57
+CCCCN(C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1,CHEMBL368040,8.315
+CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1,CHEMBL179675,8.275
+CCCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL179748,7.55
+O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)Nc1ccccc1,CHEMBL179565,7.835
+C=CCN(CC=C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL178676,8.355
+O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NCc1ccccc1,CHEMBL362200,7.01
+CN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL430139,8.86
+O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCN(Cc2ccccc2)CC1,CHEMBL180377,4.9
+O=C(NCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL220306,6.0
+O=C(NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL374574,7.92
+O=C(NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL384328,7.77
+O=C(NCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL386903,7.64
+O=C(NCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL425811,7.38
+O=C(NCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL265039,6.08
+CCCN(CCC)C(=O)Cc1c(-c2nccs2)nc2c(Cl)cc(Cl)cn12,CHEMBL220661,8.68
+COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1,CHEMBL253596,10.01
+COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1,CHEMBL253597,9.16
+CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,CHEMBL251953,9.14
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12,CHEMBL469680,8.36
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCCF)cc2)nn2c(C)cc(C)nc12,CHEMBL469682,8.315
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCCF)cc2)nc2ccc(Cl)cn12,CHEMBL469681,8.405
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12,CHEMBL523365,9.02
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL460367,8.74
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL460157,8.44
+CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL460156,8.41
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL462063,8.44
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL516653,8.47
+CCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL462062,7.96
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL517895,9.44
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL518789,9.74
+CCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL460998,9.82
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL525585,7.9
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL518189,7.92
+CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL462269,7.27
+CCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL462268,8.02
+CCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL517741,6.03
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12,CHEMBL461843,8.64
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL461638,8.3
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12,CHEMBL461637,8.4
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12,CHEMBL517858,8.78
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12,CHEMBL461416,8.88
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12,CHEMBL516642,7.16
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12,CHEMBL462685,7.74
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12,CHEMBL462469,9.0
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12,CHEMBL518662,9.26
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C)cc2)[nH]c2ccccc12,CHEMBL461829,8.58
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,CHEMBL461828,8.48
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12,CHEMBL461861,8.34
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,CHEMBL459313,8.89
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL462491,8.77
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL459946,7.96
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12,CHEMBL459945,8.72
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12,CHEMBL461214,8.22
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12,CHEMBL517268,7.6
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL461001,8.62
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL462485,8.47
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12,CHEMBL460358,7.85
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12,CHEMBL518788,8.11
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12,CHEMBL461641,8.52
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12,CHEMBL461640,8.55
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12,CHEMBL492877,9.02
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12,CHEMBL492670,8.36
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12,CHEMBL522342,8.17
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12,CHEMBL493705,9.43
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12,CHEMBL523329,8.4
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12,CHEMBL492256,8.57
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12,CHEMBL495320,7.45
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12,CHEMBL495319,7.19
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12,CHEMBL494096,6.48
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12,CHEMBL523029,7.52
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12,CHEMBL523217,7.67
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12,CHEMBL494906,7.69
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12,CHEMBL492290,9.0
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12,CHEMBL492289,8.94
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12,CHEMBL523998,8.77
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12,CHEMBL492686,9.64
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12,CHEMBL493301,9.57
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1,CHEMBL473435,9.645
+CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)cc(C)nc12,CHEMBL480041,8.12
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL517539,9.08
+CCCN(CCC)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL484573,8.88
+CCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL484574,9.06
+CN(C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1,CHEMBL484741,9.49
+CCCN(CCC)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL509917,9.51
+CCCCN(C)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL521186,9.14
+COc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1,CHEMBL485606,9.64
+CCCN(CCC)C(=O)Cc1c(-c2ccc(OC(=O)CN)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL484932,8.82
+CCCN(CCC)C(=O)Cc1c(-c2ccc(OC(=O)CCC(=O)OC)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL483172,8.77
+CCCN(CCC)C(=O)Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL520465,9.82
+CCCN(CCC)C(=O)Cc1c(-c2ccc(N)cc2)nc2c(Cl)cc(Cl)cn12,CHEMBL484188,8.605
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12,CHEMBL485217,9.62
+CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12,CHEMBL521180,9.52
+CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cccn12,CHEMBL485218,8.94
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12,CHEMBL485219,9.415
+CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12,CHEMBL483383,9.11
+CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cccn12,CHEMBL520847,8.98
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(NC(=O)CCC(=O)O)c2)nc2c(Cl)cc(Cl)cn12,CHEMBL485589,7.84
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CC(=O)O)cccn12,CHEMBL520662,6.71
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)O)cccn12,CHEMBL484750,6.54
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCCC(=O)O)cccn12,CHEMBL484758,6.93
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)OCC)cccn12,CHEMBL483596,9.07
+CN(C(=O)Cc1c(-c2nccs2)nc2c(Cl)cc(Cl)cn12)c1ccccc1,CHEMBL521304,8.84
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN)cccn12,CHEMBL485435,7.85
+CN(CCCF)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1,CHEMBL483129,9.59
+CN(CCF)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1,CHEMBL504365,6.38
+CN(CCCF)C(=O)c1cc2ccccc2c(-c2ccc(I)cc2)n1,CHEMBL483131,7.2
+CN(CCCF)C(=O)c1cc2ccccc2c(-c2cccc(I)c2)n1,CHEMBL483130,8.89
+CN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21,CHEMBL476607,8.87
+CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21,CHEMBL515622,9.31
+Cn1c(=O)n(CC(=O)N(CCF)Cc2ccccc2)c2nc(-c3ccccc3)ncc21,CHEMBL476811,9.29
+CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21,CHEMBL513922,9.46
+Cc1c(C(=O)N(C)Cc2cccc(I)c2)nc2ccccc2c1-c1ccccc1,CHEMBL600590,6.34
+CN(CCc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI,CHEMBL601204,6.39
+CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI,CHEMBL601203,7.58
+CCN(CC)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI,CHEMBL605154,7.92
+CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI,CHEMBL599970,6.76
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12,CHEMBL1097176,7.42
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12,CHEMBL1097503,7.31
+O=C(NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12,CHEMBL1099012,7.42
+C#CCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258843,8.32
+CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258723,8.96
+CCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258722,8.85
+CCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1,CHEMBL1258614,8.24
+CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL1651222,7.92
+CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12,CHEMBL1651223,8.74
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651224,7.71
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651225,9.52
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651226,9.52
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651227,7.22
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651228,8.53
+CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651229,6.72
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651230,7.42
+CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12,CHEMBL1651231,7.68
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccc(F)cc12,CHEMBL1651232,7.63
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12,CHEMBL1651233,7.7
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12,CHEMBL1651234,8.97
+CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12,CHEMBL1651235,8.17
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12,CHEMBL1651236,8.24
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765683,7.54
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765685,7.21
+Cc1c(C(=O)NC2(C#N)CCCCC2)nn(-c2ccccc2Br)c1-c1ccccc1,CHEMBL1765676,7.12
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2cccc(Br)c2)c1-c1ccccc1,CHEMBL1765678,6.94
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1,CHEMBL1765682,6.88
+COc1ccc(-c2c(Br)c(C(=O)NC3(C#N)CCOCC3)nn2-c2cccc(Br)c2)cc1,CHEMBL1765819,6.81
+COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1,CHEMBL1765684,6.55
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2F)c1-c1ccccc1,CHEMBL1765673,6.4
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccc(Br)cc2)c1-c1ccccc1,CHEMBL1765679,6.38
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Cl)c1-c1ccccc1,CHEMBL1765674,6.36
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccc(F)cc1,CHEMBL1765820,6.31
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccccc1,CHEMBL1765675,6.24
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1cccc(F)c1,CHEMBL1765821,6.16
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2I)c1-c1ccccc1,CHEMBL1765680,6.12
+Cc1c(C(=O)N(C)C2(C#N)CCOCC2)nn(-c2ccccc2Cl)c1-c1ccccc1,CHEMBL1765096,6.06
+COc1ccc(-c2c(C#N)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2I)cc1,CHEMBL1765818,5.72
+Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2-c2ccccc2)c1-c1ccccc1,CHEMBL1765681,5.55
+N#CC1(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3Br)n2)CCOCC1,CHEMBL1765672,5.51
+N#Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccccc1,CHEMBL1765677,5.43
+CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1,CHEMBL1830767,7.29
+CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)no1,CHEMBL1830766,6.59
+CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1,CHEMBL1830764,7.17
+CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1,CHEMBL1830765,6.06
+CCCN(CCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1,CHEMBL1830762,5.66
+CCCCN(CCCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1,CHEMBL1830763,6.31
+CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccc(F)cc2)n1,CHEMBL1830761,6.8
+CCCCN(CCCC)C(=O)Cc1coc(-c2ccc(F)cc2)n1,CHEMBL1830759,7.06
+CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccc(F)cc2)n1,CHEMBL1830760,7.96
+CCCN(CCC)C(=O)Cc1coc(-c2ccc(F)cc2)n1,CHEMBL1830758,5.79
+CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1,CHEMBL1830756,7.35
+CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1,CHEMBL1830757,6.15
+CCCCN(CCCC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1,CHEMBL1830755,6.75
+CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccccc2)n1,CHEMBL1830753,6.82
+CCCN(CCC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1,CHEMBL1830754,6.03
+CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccccc2)n1,CHEMBL1830752,7.49
+CCCN(CCC)C(=O)Cc1coc(-c2ccccc2)n1,CHEMBL1830750,5.77
+CCCCN(CCCC)C(=O)Cc1coc(-c2ccccc2)n1,CHEMBL1830751,6.46
+CCCCCCN(CCCCCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1,CHEMBL1830749,5.49
+CCCCN(CCCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1,CHEMBL1830747,6.57
+CCCCCN(CCCCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1,CHEMBL1830748,6.82
+CCCN(CCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1,CHEMBL1830746,5.47
+CCCCCN(CCCCC)C(=O)Cc1nc(-c2ccccc2)no1,CHEMBL1830744,6.88
+CCCCCCN(CCCCCC)C(=O)Cc1nc(-c2ccccc2)no1,CHEMBL1830745,5.96
+CCCCN(CCCC)C(=O)Cc1nc(-c2ccccc2)no1,CHEMBL1830743,6.31
+CCCN(CCC)C(=O)Cc1nc(-c2ccccc2)no1,CHEMBL1830742,5.36
+CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)on1,CHEMBL1830738,6.42
+CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccccc2)on1,CHEMBL1830739,5.24
+CCCCN(CCCC)C(=O)c1cc(-c2ccccc2)on1,CHEMBL1830737,6.21
+CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccc(C)cc2)no1,CHEMBL1830735,5.57
+CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccccc2)no1,CHEMBL1830734,5.15
+CCCCN(CCCC)C(=O)c1cc(-c2ccccc2)no1,CHEMBL1830732,6.19
+CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1,CHEMBL1830733,6.42
+CCN(Cc1ccccc1)C(=O)c1coc(-c2ccccc2)n1,CHEMBL1830729,5.26
+CCCCCCN(CCCCCC)C(=O)c1coc(-c2ccccc2)n1,CHEMBL1830728,5.34
+CCCCCN(CCCCC)C(=O)c1coc(-c2ccccc2)n1,CHEMBL1830727,6.21
+CCCCN(CCCC)C(=O)c1coc(-c2ccccc2)n1,CHEMBL1830726,5.46
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)no1,CHEMBL1830722,5.31
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)no1,CHEMBL1830721,5.38
+CCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)no1,CHEMBL1830720,6.04
+CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)no1,CHEMBL1830719,6.11
+CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF,CHEMBL1944785,9.06
+CCN(CC)C(=O)C1CCCc2c1c1cc(O)ccc1n2CCF,CHEMBL1945414,6.87
+CCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1945413,8.27
+CCN(CC)C(=O)C1CCCc2c1c1c(OC)cccc1n2CCF,CHEMBL1945415,8.62
+CCN(CC)C(=O)C1CCCc2c1c1cc(OC)ccc1n2CCF,CHEMBL1945416,8.72
+CCN(CC)C(=O)C1CCCc2c1c1ccc(OC)cc1n2CCF,CHEMBL1945417,8.26
+CCN(CC)C(=O)C1CCCc2c1c1c(OC)cc(OC)cc1n2CCF,CHEMBL1945418,8.36
+CCOc1ccc2c(c1)c1c(n2CCF)CCCC1C(=O)N(CC)CC,CHEMBL1945631,8.51
+CCN(CC)C(=O)C1CCCc2c1c1c(F)cccc1n2CCF,CHEMBL1945632,8.12
+CCN(CC)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF,CHEMBL1945633,8.42
+CCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF,CHEMBL1945634,8.98
+CCN(CC)C(=O)C1CCCc2c1c1cc(OC)c(F)cc1n2CCF,CHEMBL1945635,8.82
+CCN(CC)C(=O)C1CCCc2c1c1cc(F)c(OC)cc1n2CCF,CHEMBL1945636,8.51
+O=C(C1CCCc2c1c1ccccc1n2CCF)N1CCOCC1,CHEMBL1945637,6.22
+O=C(C1CCCc2c1c1ccccc1n2CCF)N1CCCC1,CHEMBL1945638,6.3
+O=C(C1CCCc2c1c1ccccc1n2CCF)N1CCCCC1,CHEMBL1945639,7.74
+O=C(C1CCCc2c1c1ccccc1n2CCF)N1CCCCCC1,CHEMBL1945640,8.36
+CCCN(C)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1945641,8.66
+CC(C)N(C)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946089,8.4
+CC(C)N(C(=O)C1CCCc2c1c1ccccc1n2CCF)C(C)C,CHEMBL1946090,8.77
+CCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946091,9.42
+CN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946092,8.89
+CCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946093,9.15
+CCCCCCN(CCCCCC)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946094,9.15
+CN(C)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946095,6.3
+CCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946096,9.14
+O=C(NCc1ccccc1)C1CCCc2c1c1ccccc1n2CCF,CHEMBL1946097,7.54
+CN(Cc1ccccc1)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF,CHEMBL1946098,8.84
+CC(C)N(C)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF,CHEMBL1946099,8.08
+CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(OC)cccc1n2CCF,CHEMBL1944786,8.41
+CCCCN(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058818,7.34
+CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058819,8.52
+CC(C)CN(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058820,7.18
+CC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058821,7.15
+CCCN(CCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058822,7.43
+CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058823,8.48
+CCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058824,8.61
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2058825,9.16
+CCC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059040,8.51
+CC(C)CN(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059041,8.16
+CC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059042,7.9
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059043,7.19
+O=C(c1nc(-c2ccccc2Cl)c2ccccc2n1)N1CCCCC1,CHEMBL2059045,7.34
+O=C(c1nc(-c2ccccc2Cl)c2ccccc2n1)N1CCCCCC1,CHEMBL2059046,8.06
+CCC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059048,8.57
+CC(C)CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059049,7.68
+CC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059050,7.3
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059051,8.47
+O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCC1,CHEMBL2059052,6.19
+O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCCC1,CHEMBL2059053,6.31
+O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCCCC1,CHEMBL2059054,7.07
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1,CHEMBL2059055,8.37
+CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2059059,8.22
+CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL2059060,8.19
+CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059061,8.66
+CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL2059062,8.81
+CC[C@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059063,8.6
+CC[C@@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL2059064,8.8
+CC(C)CN(C)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CHEMBL2059249,6.07
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CHEMBL2059251,7.41
+CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1,CHEMBL2059259,7.52
+O=C(c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1)N1CCCCC1,CHEMBL2059261,6.56
+O=C(c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1)N1CCCCCC1,CHEMBL2059262,6.38
+CCC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1,CHEMBL2059264,6.75
+CC(C)CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1,CHEMBL2059265,7.22
+COc1cccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)c1,CHEMBL2070785,8.94
+COc1ccc(OCCF)cc1CN(C(C)=O)c1cc(F)ccc1Oc1ccccc1,CHEMBL2070786,9.72
+CC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1,CHEMBL2070787,10.3
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1,CHEMBL2070788,9.34
+COc1ccccc1CN(C(=O)CF)c1ccccc1OC1CCCC1,CHEMBL2070789,8.18
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC(C)C)c1,CHEMBL2070790,8.42
+COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2OC(C)C)c1,CHEMBL2070791,8.01
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Cc2ccccc2)c1,CHEMBL2070792,6.66
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Sc2ccccc2)c1,CHEMBL2070793,8.35
+COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2S(=O)(=O)c2ccccc2)c1,CHEMBL2070794,5.46
+COc1ccc(OC)c(CN(C(=O)CF)c2cccc3cc(C)oc23)c1,CHEMBL2070795,8.2
+CC(=O)N(Cc1ccccc1OCCF)c1cccnc1Oc1ccccc1,CHEMBL2070796,8.37
+COc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1,CHEMBL2070797,8.14
+COc1ccccc1CN(C(=O)CF)c1cccnc1Oc1ccccc1,CHEMBL2070798,6.9
+COc1ccccc1CN(C(=O)CF)c1cnccc1Oc1ccccc1,CHEMBL2070799,8.66
+COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1,CHEMBL2070800,10.3
+COc1ccc(OC)c(CN(C(=O)CF)c2cncnc2Oc2ccccc2)c1,CHEMBL2070801,7.2
+COc1ncccc1CN(C(=O)CF)c1ccccc1Oc1ccccc1,CHEMBL2070802,8.42
+Cc1ccc(CN(C(=O)CF)c2ccccc2Oc2ccccc2)o1,CHEMBL2070803,7.14
+O=C(CF)N(Cc1cccs1)c1ccccc1Oc1ccccc1,CHEMBL2070804,6.79
+O=C(CF)N(Cc1ccoc1)c1ccccc1Oc1ccccc1,CHEMBL2070805,6.3
+CC(=O)N(Cc1cccnc1OCCF)c1ccccc1Oc1ccccc1,CHEMBL2070806,8.99
+CC(=O)N(Cc1cccn(CCF)c1=O)c1ccccc1Oc1ccccc1,CHEMBL2070807,6.98
+O=C(CF)N(Cc1cccc2c1OCC2)c1ccccc1Oc1ccccc1,CHEMBL2070808,9.51
+COc1ncccc1CN(C(=O)CF)c1cc(F)ccc1Oc1ccccc1,CHEMBL2070809,8.45
+O=C(CF)N(Cc1cccc2c1OCCO2)c1ccccc1Oc1ccccc1,CHEMBL2070810,8.94
+O=C(CF)N(Cc1cccc2c1OCO2)c1ccccc1Oc1ccccc1,CHEMBL2070811,8.69
+CC1(C)Cc2cccc(CN(C(=O)CF)c3ccccc3Oc3ccccc3)c2O1,CHEMBL2070812,8.58
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccc1,CHEMBL2088346,8.8
+CN(C(=O)Cn1c(=O)oc2ccccc21)c1ccccc1,CHEMBL2088355,7.96
+CN(C(=O)Cn1c(=O)oc2cccc(-c3ccccc3)c21)c1ccccc1,CHEMBL2088356,6.92
+CN(C(=O)Cn1c(=O)oc2cc(-c3ccccc3)ccc21)c1ccccc1,CHEMBL2088357,7.54
+CN(C(=O)Cn1c(=O)oc2c(-c3ccccc3)cccc21)c1ccccc1,CHEMBL2088358,8.05
+CCCN(CCC)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21,CHEMBL2088359,7.77
+CN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21,CHEMBL2088360,7.89
+COc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1,CHEMBL2088361,9.05
+COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)cc1,CHEMBL2088362,8.66
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccc(Cl)c1,CHEMBL2088363,9.1
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccc(Cl)cc1,CHEMBL2088364,9.68
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccn1,CHEMBL2088365,7.64
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccnc1,CHEMBL2088366,7.55
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccncc1,CHEMBL2088367,6.57
+CN(C)Cc1ccccc1N(C)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21,CHEMBL2088368,8.7
+CN(C)Cc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1,CHEMBL2088369,7.92
+CN(C)Cc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)cc1,CHEMBL2088370,7.06
+CN(C(=O)Cn1c(=O)oc2ccc(Br)cc21)c1ccccc1,CHEMBL2088371,9.74
+CN(C(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1,CHEMBL2088372,9.31
+COc1cccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)c1,CHEMBL2088373,9.48
+COc1ccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)cc1,CHEMBL2088374,9.54
+CN(C(=O)Cn1c(=O)oc2ccc(-c3cccc(C(F)(F)F)c3)cc21)c1ccccc1,CHEMBL2088375,9.32
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)c1ccccc1,CHEMBL2088376,9.17
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21)c1ccccc1,CHEMBL2088377,9.19
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccn3)cc21)c1ccccc1,CHEMBL2088540,8.74
+CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1,CHEMBL2088541,7.96
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccncc3)cc21)c1ccccc1,CHEMBL2088542,8.28
+CN(C(=O)Cn1c(=O)oc2ccc(Oc3ccccc3)cc21)c1ccccc1,CHEMBL2088543,8.42
+CN(C(=O)Cn1c(=O)oc2ccc(N(C)c3ccccc3)cc21)c1ccccc1,CHEMBL2088544,9.44
+CN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21,CHEMBL2206284,7.4
+CCN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21,CHEMBL2206283,7.88
+CCN(Cc1ccncc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21,CHEMBL2206282,8.29
+O=C(Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)Nc1ccccc1,CHEMBL2331873,7.48
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccncc1,CHEMBL2331872,7.82
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1cccnc1,CHEMBL2331871,8.68
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccn1,CHEMBL2331870,8.6
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccc(Cl)cc1,CHEMBL2332262,9.89
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1cccc(Cl)c1,CHEMBL2332261,9.36
+COc1ccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)cc1,CHEMBL2332260,9.14
+COc1cccc(N(C)C(=O)Cn2c(=O)n3c4c(cc(-c5ccccc5)cc42)CCC3)c1,CHEMBL2332259,9.55
+CN(Cc1ccccc1)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2,CHEMBL2332258,9.64
+CCCN(CCC)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2,CHEMBL2332257,8.77
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)OCC2)c1ccccc1,CHEMBL2332256,9.68
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCCC2)c1ccccc1,CHEMBL2332255,9.49
+CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccc1,CHEMBL2332254,9.03
+CCc1cc(CC)n2nc(-c3ccc(OCCF)cc3)c(CC(=O)N(CC)CC)c2n1,CHEMBL2336474,9.57
+CCc1c(C)nc2c(CC(=O)N(CC)CC)c(-c3ccc(OCCF)cc3)nn2c1C,CHEMBL2336477,6.56
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)c(CC(C)=O)c(C)nc12,CHEMBL2336478,6.6
+CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)c(CC(C)=O)c(C)nc12,CHEMBL2336484,6.7
+CCc1c(C)nc2c(CC(=O)N(CC)CC)c(-c3ccc(OC)cc3)nn2c1C,CHEMBL2336483,6.8
+CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)c(C)c(C)nc12,CHEMBL2336482,7.03
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)c(C)c(C)nc12,CHEMBL2336476,7.08
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)c(Cl)c(C)nc12,CHEMBL2336479,7.17
+CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)c(Cl)c(C)nc12,CHEMBL2336473,7.26
+CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)CC)c2n1,CHEMBL2336480,9.74
+CCN(CC)C(=O)C1(C)Sc2ccccc2-c2c1c1ccccc1n2CCF,CHEMBL2377221,7.723
+CCN(CC)C(=O)CC1c2cc(OC)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377326,6.81
+CCN(CC)C(=O)C1c2ccccc2-c2[nH]c3ccccc3c21,CHEMBL2377327,9.1
+CCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF,CHEMBL2377328,8.95
+CCN(CC)C(=O)C1(C)c2c(n(CCF)c3ccccc23)-c2ccccc2S1(=O)=O,CHEMBL2377329,6.39
+CCN(CC)C(=O)C1c2c(n(CCF)c3ccccc23)-c2ccccc2S1(=O)=O,CHEMBL2377330,8.06
+CCN(CC)C(=O)C1Sc2cc(N(CCF)C(C)=O)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377331,8.87
+CCN(CC)C(=O)C1Sc2cc(NC(C)=O)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377332,9.41
+CCN(CC)C(=O)C1Sc2ccc(O)cc2-c2c1c1ccccc1n2CCF,CHEMBL2377333,9.26
+CCN(CC)C(=O)C1Sc2cc(O)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377334,9.48
+CCN(CC)C(=O)C1Sc2c(F)cccc2-c2c1c1ccccc1n2CCF,CHEMBL2377336,9.51
+CCN(CC)C(=O)C1Sc2cc(F)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377335,9.49
+CCN(CC)C(=O)C1Sc2ccc(F)cc2-c2c1c1ccccc1n2CCF,CHEMBL2377337,9.41
+CCN(CC)C(=O)C1Sc2c(OC)cccc2-c2c1c1ccccc1n2CCF,CHEMBL2377338,9.48
+CCN(CC)C(=O)C1Sc2cc(OC)ccc2-c2c1c1ccccc1n2CCF,CHEMBL2377339,9.52
+CCN(CC)C(=O)C1Sc2ccc(OC)cc2-c2c1c1ccccc1n2CCF,CHEMBL2377340,9.52
+CCN(CC)C(=O)C1Sc2cccc(OC)c2-c2c1c1ccccc1n2CCF,CHEMBL2377342,8.97
+CCOc1ccc2c(c1)c1c(n2CCF)-c2ccccc2SC1C(=O)N(CC)CC,CHEMBL2377341,9.28
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C#N)ccc1n2CCF,CHEMBL2377343,9.72
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC(F)(F)F)ccc1n2CCF,CHEMBL2377344,9.59
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF,CHEMBL2377345,9.47
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(F)ccc1n2CCF,CHEMBL2377347,9.31
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Br)ccc1n2CCF,CHEMBL2377346,9.33
+CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccc(NC(C)=O)cc3c21,CHEMBL2377348,7.23
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(O)ccc1n2CCF,CHEMBL2377349,7.72
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccc(OC)nc1n2CCF,CHEMBL2377350,8.07
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccnc1n2CCF,CHEMBL2377351,8.41
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF,CHEMBL2377352,9.64
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF,CHEMBL2377353,9.03
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccc(OC)cc1n2CCF,CHEMBL2375379,9.4
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1c(OC)cccc1n2CCF,CHEMBL2377354,8.96
+CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccccc3c21,CHEMBL2377355,9.12
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2Cc1cn(CCF)nn1,CHEMBL2377356,7.2
+CCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C,CHEMBL2377357,9.46
+CCN(CCF)C(=O)c1sc2ccccc2c2nc3ccccc3c1-2,CHEMBL2377358,6.53
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCCF,CHEMBL2377359,9.28
+CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF,CHEMBL2377360,9.44
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccncc3)cc21)c1ccc(OC(F)(F)F)cc1,CHEMBL2442945,7.64
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccncc3)cc21)c1ccc(C(F)(F)F)cc1,CHEMBL2442944,8.18
+COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccncc4)cc32)cc1,CHEMBL2442943,7.77
+CCN(C(=O)Cn1c(=O)oc2ccc(-c3ccncc3)cc21)c1ccccc1,CHEMBL2442942,8.52
+CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccc(OC(F)(F)F)cc1,CHEMBL2442941,7.59
+CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccc(C(F)(F)F)cc1,CHEMBL2442940,8.07
+COc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4cccnc4)cc32)cc1,CHEMBL2442939,7.72
+CCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1,CHEMBL2442938,8.36
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21)c1cccnc1,CHEMBL2442937,8.31
+CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)c1cccnc1,CHEMBL2442936,8.01
+CCN(CC)C(=O)Cc1c(-c2ccc(C#CCCCCF)cc2)nn2c(C)cc(C)nc12,CHEMBL3125364,9.1
+CCN(CC)C(=O)Cc1c(-c2ccc(C#CCCCF)cc2)nn2c(C)cc(C)nc12,CHEMBL3125363,9.46
+CCN(CC)C(=O)Cc1c(-c2ccc(C#CCCF)cc2)nn2c(C)cc(C)nc12,CHEMBL3125362,9.13
+CCN(CC)C(=O)Cc1c(-c2ccc(C#CCF)cc2)nn2c(C)cc(C)nc12,CHEMBL3125361,9.27
+CN(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI,CHEMBL3220893,5.87
+O=C(c1nc2ccccc2c(-c2ccccc2)c1CI)N1CCOCC1,CHEMBL3220894,7.56
+O=C(c1cc(-c2ccccc2)c2cc(I)ccc2n1)N1CCOCC1,CHEMBL3220895,4.52
+O=C(c1cc(-c2ccccc2)c2cc(F)ccc2n1)N1CCOCC1,CHEMBL3217788,5.24
+O=C(c1cc(-c2ccccc2)c2cccc(I)c2n1)N1CCOCC1,CHEMBL3220896,4.12
+O=C(c1cc(-c2ccccc2I)c2ccccc2n1)N1CCOCC1,CHEMBL3220897,6.03
+CCN(CC)C(=O)c1cc(-c2ccccc2I)c2ccccc2n1,CHEMBL3220898,8.3
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261891,8.95
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CHEMBL3261892,7.61
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1,CHEMBL3261893,9.05
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL3261894,9.63
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1,CHEMBL3261895,8.77
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL3261896,9.12
+CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)c2ccccc2n1,CHEMBL3261897,8.83
+CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261898,8.59
+CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261899,8.56
+CCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261900,8.06
+CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261901,8.38
+CCOC(=O)c1ccc(CN(CC)C(=O)c2nc(-c3ccccc3)c3ccccc3n2)cc1,CHEMBL3261902,8.44
+CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261903,6.14
+CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1,CHEMBL3261904,9.22
+CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1,CHEMBL3261905,9.31
+CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1,CHEMBL3261906,8.4
+CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1,CHEMBL3261907,8.95
+CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,CHEMBL3261908,9.35
+CN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1,CHEMBL3261909,8.21
+CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12,CHEMBL3287610,6.62
+CCN(CC)C(=O)Cc1c(-c2ccc(OC(C)C)cc2)nn2c(C)cc(C)nc12,CHEMBL3408958,8.66
+CCN(CC)C(=O)Cc1c(-c2ccc(OCC(C)C)cc2)nn2c(C)cc(C)nc12,CHEMBL3408959,8.62
+CCN(CC)C(=O)Cc1c(-c2ccc(OC3CCC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408960,9.07
+CCN(CC)C(=O)Cc1c(-c2ccc(OC3CCCC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408961,8.82
+CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408962,8.52
+CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CCC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408963,8.85
+CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CCCC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408964,8.68
+CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CCCCC3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408965,8.44
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408966,9.0
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3F)cc2)nn2c(C)cc(C)nc12,CHEMBL3408967,9.51
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3cccc(F)c3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408968,9.33
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccc(F)cc3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408969,9.11
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)nn2c(C)cc(C)nc12,CHEMBL3408970,8.85
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408971,9.17
+CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408972,8.8
+CCN(CC)C(=O)Cc1c(-c2ccc(OCCc3ccccc3)cc2)nn2c(C)cc(C)nc12,CHEMBL3408973,9.89
+CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597383,9.29
+CCCCN(CC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597382,9.29
+CCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597381,9.43
+CCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597380,9.25
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597379,9.28
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597378,9.27
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,CHEMBL3597377,9.51
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12,CHEMBL3597376,8.74
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12,CHEMBL3597375,8.26
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12,CHEMBL3597374,9.28
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12,CHEMBL3597373,9.05
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12,CHEMBL3597372,8.55
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12,CHEMBL3597371,8.92
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(C(=O)OC)cc2)[nH]c2ccccc12,CHEMBL3597370,8.48
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(C(=O)OC)cc2)[nH]c2ccccc12,CHEMBL3597369,8.57
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(=O)OC)cc2)[nH]c2ccccc12,CHEMBL3597368,8.51
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12,CHEMBL3597367,8.4
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12,CHEMBL3597366,7.69
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12,CHEMBL3597365,8.24
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(C(=O)O)cc2)[nH]c2ccccc12,CHEMBL3597364,6.74
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(C(=O)O)cc2)[nH]c2ccccc12,CHEMBL3597363,6.39
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(=O)O)cc2)[nH]c2ccccc12,CHEMBL3597362,6.46
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(N)cc2)[nH]c2ccccc12,CHEMBL3597361,8.38
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(N)cc2)[nH]c2ccccc12,CHEMBL3597360,6.88
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(N)cc2)[nH]c2ccccc12,CHEMBL3597359,7.35
+CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12,CHEMBL3597358,8.2
+CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12,CHEMBL3597357,7.59
+CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12,CHEMBL3597356,7.79
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCOCCOCCF,CHEMBL3613372,6.04
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCOCCF,CHEMBL3613371,6.89
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CC#CCF,CHEMBL3613370,8.38
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2C/C=C/CF,CHEMBL3613369,8.09
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCCCF,CHEMBL3613368,6.92
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCCF,CHEMBL3613367,7.21
+CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCF,CHEMBL3613366,8.39
+CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCOCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613365,8.82
+CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613364,8.38
+CN(C)C(=O)Cc1nn(-c2ccc(OCC#CCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613363,9.52
+CN(C)C(=O)Cc1nn(-c2ccc(OC/C=C/CF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613362,9.02
+CN(C)C(=O)Cc1nn(-c2ccc(OCCCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613361,9.38
+CN(C)C(=O)Cc1nn(-c2ccc(OCCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613360,9.4
+CN(C)C(=O)Cc1nn(-c2ccc(OCCF)cc2)c(=O)c2c1c1ccc(Cl)cc1n2C,CHEMBL3613359,8.85
+COc1ccc(-n2nc(CC(=O)N(C)C)c3c4ccc(Cl)cc4n(C)c3c2=O)cc1,CHEMBL3613358,9.17
+CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn12,CHEMBL3654351,8.14
+CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cc(C)ccn12,CHEMBL3654352,7.31
+CCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cc(C)ccn12,CHEMBL3654353,8.03
+CCN(Cc1ccncc1)C(=O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cc(C)ccn12,CHEMBL3654354,7.96
+COCCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cc(C)ccn12,CHEMBL3654355,8.18
+CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12,CHEMBL3654356,8.53
+CCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12,CHEMBL3654357,7.41
+CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL3819416,6.37
+CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C)C(=O)OC,CHEMBL3819071,6.11
+CC[C@H](C)[C@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC,CHEMBL3818951,6.0
+COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C,CHEMBL3818586,6.44
+CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL3818299,7.06
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC,CHEMBL3819001,6.3
+CCC(C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,CHEMBL179861,8.44
diff --git a/chembl_200/CHEMBL4561.csv b/chembl_200/CHEMBL4561.csv
new file mode 100644
index 0000000000000000000000000000000000000000..db3f56b905b7b915c2620cb48792ab7fc1cc703d
--- /dev/null
+++ b/chembl_200/CHEMBL4561.csv
@@ -0,0 +1,425 @@
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O,CHEMBL429531,8.66
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL2110365,6.94
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC,CHEMBL265391,5.29
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC,CHEMBL438914,5.15
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL413455,5.63
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC,CHEMBL413426,6.33
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL410166,5.1
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL411117,6.18
+C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1,CHEMBL77639,7.62
+C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1,CHEMBL78265,6.29
+C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1,CHEMBL419086,6.32
+C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1,CHEMBL306277,7.0
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC,CHEMBL438945,8.66
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1,CHEMBL17022,7.49
+O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1,CHEMBL2110162,7.8
+CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1,CHEMBL161724,8.92
+CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21,CHEMBL292560,7.37
+CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21,CHEMBL60667,5.66
+CCn1c2ccccc2c2cc(-c3nc4ncncc4[nH]3)ccc21,CHEMBL61175,8.1
+CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21,CHEMBL61879,7.85
+CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21,CHEMBL61880,9.52
+CCn1c2ccccc2c2cc(-c3nc(-c4ccccc4)c(C)[nH]3)ccc21,CHEMBL303325,7.82
+CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21,CHEMBL2115090,7.13
+Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21,CHEMBL294822,7.03
+CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21,CHEMBL304896,7.92
+CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21,CHEMBL294286,7.68
+CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21,CHEMBL59866,7.8
+CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21,CHEMBL417236,7.39
+CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21,CHEMBL61934,8.0
+CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21,CHEMBL301638,8.47
+CCn1c2ccccc2c2cc(-c3nc(-c4ccccn4)c(C)[nH]3)ccc21,CHEMBL300543,7.0
+CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21,CHEMBL294842,7.82
+CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21,CHEMBL58424,8.59
+CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21,CHEMBL418459,7.42
+CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21,CHEMBL292729,7.96
+CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21,CHEMBL59680,9.08
+CCn1c2ccccc2c2cc(-c3nc4ncccc4[nH]3)ccc21,CHEMBL294560,8.82
+CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21,CHEMBL304245,6.41
+CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21,CHEMBL294305,8.33
+CCn1c2ccccc2c2cc(-c3nc4ccncc4[nH]3)ccc21,CHEMBL417225,7.82
+Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1,CHEMBL339652,7.85
+Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1,CHEMBL333509,7.16
+COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1,CHEMBL422608,7.25
+Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1,CHEMBL333310,7.8
+Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl,CHEMBL122527,8.46
+Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl,CHEMBL120377,7.52
+c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1,CHEMBL332381,6.64
+Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1,CHEMBL332582,7.4
+FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1,CHEMBL120586,8.31
+Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl,CHEMBL120760,8.4
+COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC,CHEMBL122120,6.83
+Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1,CHEMBL325727,8.1
+Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl,CHEMBL332598,6.94
+Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl,CHEMBL332561,7.4
+c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1,CHEMBL327027,7.47
+FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1,CHEMBL120117,7.57
+N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1,CHEMBL120538,5.52
+Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1,CHEMBL119507,7.72
+FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1,CHEMBL323658,6.68
+c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1,CHEMBL326736,5.82
+FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1,CHEMBL326483,8.8
+FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1,CHEMBL325704,7.43
+c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1,CHEMBL120336,6.28
+Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1,CHEMBL120332,7.68
+Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl,CHEMBL116488,5.32
+c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1,CHEMBL325171,5.84
+Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F,CHEMBL120431,7.47
+COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC,CHEMBL160443,7.48
+COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC,CHEMBL158913,8.55
+O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1,CHEMBL158940,6.92
+O=C(Nc1cc(-c2ccccc2)n[nH]1)C1Cc2ccccc2C1,CHEMBL161398,6.59
+O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1,CHEMBL157588,6.35
+O=C(Nc1cc(-c2ccncc2)n[nH]1)C1Cc2ccc3ccccc3c2C1,CHEMBL350690,8.0
+CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1,CHEMBL160722,7.04
+O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1,CHEMBL435036,7.23
+COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1,CHEMBL159070,7.21
+COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC,CHEMBL291666,8.08
+Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1,CHEMBL158759,7.1
+O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1,CHEMBL52332,6.14
+Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,CHEMBL299742,6.7
+O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1,CHEMBL49906,7.34
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12,CHEMBL445613,7.92
+O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12,CHEMBL298168,6.99
+O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1,CHEMBL415926,7.67
+O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1,CHEMBL299579,6.39
+O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1,CHEMBL48960,5.39
+O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1,CHEMBL52382,7.02
+O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12,CHEMBL298342,6.82
+Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1,CHEMBL296387,6.37
+O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1,CHEMBL50807,6.14
+O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12,CHEMBL296906,6.64
+O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12,CHEMBL48904,6.14
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F,CHEMBL51874,7.59
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F,CHEMBL51542,8.0
+Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL2113711,8.0
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL299879,8.1
+O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12,CHEMBL51884,7.96
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1,CHEMBL51138,7.85
+O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12,CHEMBL299295,7.77
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1,CHEMBL301747,7.55
+O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1,CHEMBL48777,6.91
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C,CHEMBL439904,7.7
+CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C,CHEMBL429005,6.29
+CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1,CHEMBL403414,9.4
+CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1,CHEMBL255147,8.66
+CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1,CHEMBL404461,9.12
+CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL255353,8.92
+CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1,CHEMBL403918,8.82
+CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257940,8.74
+CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL257939,7.28
+CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1,CHEMBL403223,7.23
+CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL256592,6.3
+CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL428423,8.96
+CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL256885,6.8
+CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL408153,6.51
+CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL270890,7.32
+CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL270997,6.09
+CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL403622,6.89
+CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL270999,6.1
+CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1,CHEMBL272964,6.79
+COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1,CHEMBL273180,6.51
+CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL404304,7.57
+CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL273182,8.06
+Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1,CHEMBL404398,7.7
+CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL255352,7.89
+CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL404462,7.46
+CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL403282,7.06
+Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1,CHEMBL402557,7.28
+CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL255390,6.39
+CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL255800,6.52
+CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257022,8.59
+CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257248,8.23
+CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257457,8.2
+CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL401726,8.13
+CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL429679,8.49
+CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257708,8.47
+CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1,CHEMBL257707,8.55
+CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1,CHEMBL428953,8.49
+N#Cc1ccnc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,CHEMBL522456,8.7
+Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cnccn3)N2)cc1,CHEMBL490937,8.37
+C[C@@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL523134,9.0
+C[C@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL491107,6.52
+CC[C@@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL522793,8.59
+CCC[C@@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL490949,8.07
+N#Cc1ccnc(C2=N[C@@H](CO)C(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,CHEMBL523305,8.52
+C[C@@H]1N=C(c2cnccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1,CHEMBL491119,8.72
+C[C@@H]1N=C(c2cc(C#N)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL491288,8.89
+C[C@@H]1N=C(c2cc(C#N)ccn2)N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL490123,8.8
+C[C@@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)nc1)c1ccc(F)nc1,CHEMBL521932,8.51
+COc1ccc([C@]2(c3ccc(F)cc3)NC(c3cc(C#N)ccn3)=N[C@H]2C)cn1,CHEMBL506163,8.96
+C[C@@H]1N=C(c2cc(C#N)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1,CHEMBL490901,6.84
+C[C@@H]1N=C(c2cccc(C#N)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL521947,9.1
+C[C@@H]1N=C(c2cccc(S(C)(=O)=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL491894,8.6
+C[C@@H]1N=C(c2cncc(C#N)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL491895,8.49
+C[C@@H]1N=C(c2cccc(C#N)n2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL523821,8.23
+C[C@@H]1N=C(c2ccnc(C#N)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL490561,9.0
+C[C@@H]1N=C(c2nccc(C#N)n2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL491567,8.44
+COc1ccnc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)c1,CHEMBL490902,8.6
+C[C@@H]1N=C(c2cc(Cl)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL490903,8.74
+C[C@@H]1N=C(c2cc(C(N)=O)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL489725,8.29
+C[C@@H]1N=C(c2cnccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL523776,8.66
+C[C@@H]1N=C(c2cccc(=O)[nH]2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL489726,8.85
+C[C@@H]1N=C(c2cnsn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL523945,8.7
+C[C@@H]1N=C(c2nccs2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL489732,8.39
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1,CHEMBL491762,7.48
+O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21,CHEMBL491930,8.62
+O=C1CC2(CCCCC2)CC2=C1C(C1C(=O)CC3(CCCCC3)CC1=O)c1ccccc1O2,CHEMBL466756,7.62
+O=C1CC2(CCCC2)CC2=C1C(C1C(=O)CC3(CCCC3)CC1=O)c1ccccc1O2,CHEMBL469173,7.77
+O=C1CC2(CCC2)CC2=C1C(C1C(=O)CC3(CCC3)CC1=O)c1ccccc1O2,CHEMBL467558,7.85
+CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)C(=O)C1,CHEMBL512996,7.7
+CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)C(=O)C1,CHEMBL468414,6.71
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)C(=O)C1,CHEMBL467550,7.44
+CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O,CHEMBL511264,6.08
+CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O,CHEMBL469257,7.39
+Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O,CHEMBL469256,7.44
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)C(=O)C1,CHEMBL468225,7.47
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)C(=O)C1,CHEMBL513701,7.54
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)C(=O)C1,CHEMBL469041,7.09
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)C(=O)C1,CHEMBL467813,7.15
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)C(=O)C1,CHEMBL512787,7.47
+CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)C(=O)C1,CHEMBL466946,6.71
+COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O,CHEMBL468847,5.66
+COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O,CHEMBL468846,7.03
+COc1ccc2c(c1)C(C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2,CHEMBL477578,6.23
+CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1,CHEMBL508770,7.85
+CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1,CHEMBL478417,6.46
+O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21,CHEMBL595573,8.8
+c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1080298,5.22
+FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL1209347,7.8
+Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1,CHEMBL1209345,9.2
+CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209346,8.9
+Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1,CHEMBL1209281,8.4
+c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1,CHEMBL1209280,8.8
+CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209279,8.4
+c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1,CHEMBL1209278,6.0
+O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209277,7.5
+O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209218,8.3
+O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209217,8.1
+O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209216,9.1
+CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1,CHEMBL1209215,8.3
+O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209162,9.2
+O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209161,8.2
+O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1,CHEMBL1209160,9.1
+CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1,CHEMBL1209159,9.4
+O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209102,9.0
+O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209101,9.0
+O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1208795,7.3
+O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209100,8.3
+O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209053,8.8
+O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209052,9.0
+O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209051,8.6
+O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209050,7.9
+CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1209049,8.6
+CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1,CHEMBL1208996,5.6
+O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1,CHEMBL1258110,10.1
+O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1,CHEMBL1258111,10.5
+O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1,CHEMBL1258224,9.5
+O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1,CHEMBL1257993,10.6
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1,CHEMBL1257992,10.2
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1,CHEMBL1257882,8.3
+O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1,CHEMBL1257881,9.0
+O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1,CHEMBL1257761,9.8
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1,CHEMBL1257760,9.8
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1,CHEMBL1257637,9.9
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1,CHEMBL1257636,10.0
+Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O,CHEMBL1257520,9.2
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1,CHEMBL1258225,10.4
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F,CHEMBL1258340,10.0
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1,CHEMBL1258341,10.2
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1,CHEMBL1258453,10.0
+O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1,CHEMBL1258454,9.7
+Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1,CHEMBL1258562,9.7
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1,CHEMBL1258563,8.8
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1,CHEMBL1258673,9.8
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1,CHEMBL1258674,10.0
+Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1,CHEMBL1258787,10.2
+Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1,CHEMBL1258788,9.6
+O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1,CHEMBL1258907,9.5
+O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2,CHEMBL1257173,8.7
+O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1290707,6.5
+Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)OC1=O,CHEMBL1289610,7.1
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1cccnc1,CHEMBL1289715,7.6
+O=C1OC2(CCN(c3nc4ccc(F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289039,7.7
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1cccnc1F,CHEMBL1289819,7.7
+N#Cc1ccc2nc([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)[nH]c2c1,CHEMBL1290147,8.1
+Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)OC1=O,CHEMBL1289387,8.3
+O=C1O[C@]2(CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccn1,CHEMBL1289936,8.3
+O=C1O[C@]2(CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1cccc(F)n1,CHEMBL1289937,8.4
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1Cl,CHEMBL1289502,8.6
+O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1290706,8.8
+O=C1OC2(CCN(c3nc4ccc(Br)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289038,8.9
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccn1,CHEMBL1289503,8.9
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1cccc(F)n1,CHEMBL1289714,8.9
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1F,CHEMBL1289268,9.2
+O=C1O[C@]2(CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289820,9.2
+N#Cc1ccc2nc([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)[nH]c2c1,CHEMBL1290038,9.2
+Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5ccc(OC(F)(F)F)cc5[nH]4)CC3)OC2=O)n1,CHEMBL1289609,9.4
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289267,9.5
+O=C1O[C@]2(CC[C@H](c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccc(F)cc1,CHEMBL1289386,9.5
+N#Cc1ccc2nc([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)[nH]c2c1,CHEMBL1290037,9.5
+O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289153,9.7
+O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,CHEMBL1289154,9.8
+C[C@@H]1N=C(c2ccc(=O)[nH]c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783920,8.13
+C[C@@H]1N=C(c2ccc[nH]c2=O)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783921,6.22
+C[C@@H]1N=C(c2cc[nH]c(=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783922,7.38
+Cc1ccc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)[nH]c1=O,CHEMBL1783923,8.59
+Cc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)[nH]c(=O)c1,CHEMBL1783924,8.07
+Cc1ccc(=O)[nH]c1C1=N[C@@H](C)[C@](c2ccc(F)cc2)(c2ccc(F)nc2)N1,CHEMBL1783925,7.55
+C[C@@H]1N=C(c2ccc(F)c(=O)[nH]2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783926,8.16
+C[C@@H]1N=C(c2ccc(Cl)c(=O)[nH]2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783927,8.07
+C[C@@H]1N=C(c2cccc(=O)n2C)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1783928,6.46
+Cc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)c[nH]c1=O,CHEMBL1784120,8.37
+Cc1cc(=O)[nH]cc1C1=N[C@@H](C)[C@](c2ccc(F)cc2)(c2ccc(F)nc2)N1,CHEMBL1784121,6.2
+C[C@@H]1N=C(c2c[nH]c(=O)c(F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1784123,7.96
+C[C@@H]1N=C(c2c[nH]c(=O)c(Cl)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1784124,8.47
+C[C@@H]1N=C(c2c[nH]c(=O)c(C(F)(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1784125,8.42
+COc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)c[nH]c1=O,CHEMBL1784126,8.3
+C[C@@H]1N=C(c2ccc(=O)n(C)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1782077,7.89
+CCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O,CHEMBL1784127,8.54
+CCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O,CHEMBL1784128,8.33
+CC(C)n1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O,CHEMBL1784129,8.44
+C[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,CHEMBL1784130,8.55
+COn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O,CHEMBL1784131,8.55
+CCOn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O,CHEMBL1784119,8.14
+CCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cc(C)c1=O,CHEMBL1784132,8.18
+Cc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cn(C(F)F)c1=O,CHEMBL1784133,8.07
+CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1,CHEMBL1829309,7.57
+CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1,CHEMBL1829310,6.38
+CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1,CHEMBL1829311,5.72
+CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1,CHEMBL1829312,6.7
+CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1,CHEMBL1829313,6.68
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1,CHEMBL1829314,7.72
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1,CHEMBL1829315,8.16
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1,CHEMBL1829316,7.64
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1,CHEMBL1829317,7.68
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1,CHEMBL1829318,7.01
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1,CHEMBL1829319,8.08
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1,CHEMBL1829322,9.1
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1,CHEMBL1829323,9.22
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1,CHEMBL1829324,8.74
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1,CHEMBL1829325,8.44
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1,CHEMBL1829326,9.075
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1,CHEMBL1829327,6.77
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1,CHEMBL1829328,6.96
+COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1,CHEMBL1829329,7.06
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1,CHEMBL1829330,7.22
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1,CHEMBL1829331,7.85
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1,CHEMBL1829332,8.04
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1,CHEMBL1829333,6.43
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1,CHEMBL1829334,8.36
+Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12,CHEMBL1836102,8.85
+COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC,CHEMBL19060,5.3
+CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1,CHEMBL1836332,7.79
+CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1,CHEMBL1836331,8.96
+CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2,CHEMBL1836330,8.77
+COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2,CHEMBL1836329,8.96
+COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2,CHEMBL1836328,8.17
+CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836327,8.62
+O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836326,8.47
+CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1,CHEMBL1836325,7.57
+CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2,CHEMBL1836324,9.1
+CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2,CHEMBL1836323,8.06
+CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836322,9.05
+O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836321,8.12
+CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836320,7.34
+CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2,CHEMBL1836319,8.85
+CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,CHEMBL1836318,8.55
+CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,CHEMBL1836317,8.82
+O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1,CHEMBL1836316,8.72
+Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1,CHEMBL1836315,7.67
+O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12,CHEMBL1836314,7.86
+COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,CHEMBL1836103,8.31
+CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912069,6.28
+CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1,CHEMBL1912070,6.77
+CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1,CHEMBL1912074,7.1
+Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1,CHEMBL1912075,6.82
+CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1,CHEMBL1912076,5.37
+Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12,CHEMBL1912077,6.44
+CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1,CHEMBL1912066,6.13
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F,CHEMBL1912067,6.96
+CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912065,6.82
+CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912068,7.92
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1,CHEMBL1912071,7.35
+CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912072,7.31
+O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912073,6.6
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1,CHEMBL1912078,6.96
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1,CHEMBL1912079,5.57
+O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1,CHEMBL1912080,6.62
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F,CHEMBL1912081,8.1
+COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912082,8.72
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1,CHEMBL1912083,7.51
+Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1,CHEMBL1912084,5.95
+Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912085,6.8
+Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1912086,7.72
+Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1,CHEMBL1912087,8.47
+CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1,CHEMBL1909718,6.29
+Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1,CHEMBL1909719,5.73
+CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1,CHEMBL1909720,8.43
+Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1,CHEMBL1909721,7.47
+CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2,CHEMBL1909722,8.7
+CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1,CHEMBL1909723,6.54
+CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1,CHEMBL1909724,5.3
+CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1909725,8.12
+NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1909726,6.1
+CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1909727,8.74
+O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1,CHEMBL1909728,7.42
+CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1,CHEMBL1909729,7.12
+CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1,CHEMBL1909730,6.77
+COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1,CHEMBL1909731,7.22
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1,CHEMBL2013028,7.92
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1,CHEMBL2013029,8.7
+Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1,CHEMBL2013027,8.05
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1,CHEMBL2013026,8.25
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1,CHEMBL2013025,9.05
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1,CHEMBL2013024,8.92
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1,CHEMBL2013023,8.66
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1,CHEMBL2013022,9.05
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1,CHEMBL2013021,9.0
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1,CHEMBL2013020,9.52
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1,CHEMBL2013019,8.77
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1,CHEMBL2013018,8.82
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1,CHEMBL2013017,8.74
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1,CHEMBL2013016,8.96
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1,CHEMBL2013015,8.82
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1,CHEMBL2013014,8.4
+Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1,CHEMBL2013013,8.46
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1,CHEMBL2013012,9.3
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1,CHEMBL2013011,8.0
+CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1,CHEMBL2013010,9.05
+CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1,CHEMBL2016681,8.3
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12,CHEMBL2016682,9.1
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12,CHEMBL2016732,9.15
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12,CHEMBL2016733,7.66
+O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12,CHEMBL2016734,6.07
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12,CHEMBL2016735,8.0
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12,CHEMBL2016736,8.1
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2,CHEMBL2016737,8.62
+CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2,CHEMBL2016738,6.73
+CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12,CHEMBL2016739,9.0
+CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12,CHEMBL2016740,9.05
+CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2,CHEMBL2016741,7.09
+CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2,CHEMBL2016742,8.34
+CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2,CHEMBL2016743,7.96
+O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21,CHEMBL2016744,5.63
+O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1,CHEMBL2016745,6.52
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]2[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)[C@H]2C(=O)OC)[C@H]1C(=O)OC,CHEMBL2440182,6.21
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@H]1C(=O)OC)[C@@H](C)O)[C@@H](C)CC,CHEMBL2440183,6.93
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](N)Cc1ccc(O)cc1,CHEMBL2440192,7.77
+CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C,CHEMBL3104112,6.2
+O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126054,6.14
+CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O,CHEMBL3126051,7.39
+CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O,CHEMBL3126049,7.92
+CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O,CHEMBL3126050,8.0
+O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126052,8.05
+O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126048,8.05
+O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126053,8.1
+O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126042,8.1
+C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1,CHEMBL3126044,8.15
+O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126040,8.22
+O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126039,8.3
+CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O,CHEMBL3126047,8.3
+O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126046,8.3
+CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1,CHEMBL3126045,8.4
+C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1,CHEMBL3126043,8.52
+O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1,CHEMBL3126041,8.7
diff --git a/chembl_200/CHEMBL4588.csv b/chembl_200/CHEMBL4588.csv
new file mode 100644
index 0000000000000000000000000000000000000000..06a11d9c2bd34598b0290803c33acac6e3d82a82
--- /dev/null
+++ b/chembl_200/CHEMBL4588.csv
@@ -0,0 +1,494 @@
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOCc1ccccc1)CC(=O)NO,CHEMBL85806,8.7
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)NO,CHEMBL86797,7.49
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCO)CC(=O)NO,CHEMBL86468,8.15
+CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,CHEMBL85766,8.7
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO,CHEMBL87046,8.4
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO,CHEMBL430838,7.52
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)CC(=O)NO,CHEMBL85933,6.57
+CCCC(=O)NCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,CHEMBL313356,7.92
+CC(C)C[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL367959,5.77
+CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N(C)C,CHEMBL367331,4.12
+C[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL355727,5.22
+CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)NO,CHEMBL174373,4.55
+C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL172180,6.0
+CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(=O)NO,CHEMBL366997,5.82
+CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1,CHEMBL368180,5.52
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NO,CHEMBL355756,4.42
+O=C(NO)C(=O)NCCc1c[nH]c2ccc(Cl)cc12,CHEMBL173382,4.85
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL369184,6.37
+CN(C)C(=O)[C@H](Cc1ccc(COc2ccccc2)cc1)NC(=O)C(=O)NO,CHEMBL174993,4.66
+CN(C)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C(=O)NO,CHEMBL177048,5.22
+C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C(=O)NO)c1ccccc1,CHEMBL171466,6.52
+C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL174865,6.6
+CCCCC(CC)COCCCNC(=O)C(=O)NO,CHEMBL172874,5.15
+C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC(=O)C(=O)NO)c1ccccc1,CHEMBL170103,6.0
+C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)NO)c1ccccc1,CHEMBL435713,6.4
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327108,4.74
+COc1ccccc1SCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL324891,4.41
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL115774,8.6
+Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,CHEMBL148169,6.59
+CC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCc1ccccc1,CHEMBL334065,4.3
+CC(C)CC(C(=O)NO)C(=O)NC(CC(N)=O)C(=O)NCc1ccccc1,CHEMBL324522,4.26
+O=C(NO)C(O)C(=O)NCCCc1ccccc1,CHEMBL325488,5.64
+Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)C(Cc2ccccc2)C(=O)NO)cc1,CHEMBL332709,5.77
+CCOC(=O)C(Cc1ccccc1)C(=O)NO,CHEMBL418619,4.28
+CCOC(=O)C(C(=O)NO)c1ccccc1,CHEMBL117316,4.01
+O=C(NO)C(Cc1ccccc1)C(=O)NCCCc1ccccc1,CHEMBL331784,6.25
+O=C(NO)C(CCc1ccccc1)C(=O)NCCCc1ccccc1,CHEMBL116557,6.31
+CC(C)CC(C(=O)NO)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1ccc(C(=O)O)cc1,CHEMBL115330,4.7
+CC(C)CC(C(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL117503,4.6
+CC(C)CC(C(=O)NO)C(=O)NC(CC(=O)O)C(=O)NCc1ccccc1,CHEMBL326760,4.06
+Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)C(O)C(=O)NO)cc1,CHEMBL117997,5.8
+O=C(NO)C(Cc1ccccc1)C(=O)N1CCOCC1,CHEMBL117932,4.3
+Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)C(CC(C)C)C(=O)NO)cc1,CHEMBL119061,5.85
+CC(C)CC(C(=O)NO)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1ccc(O)cc1,CHEMBL262921,4.92
+Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)C(CCc2ccccc2)C(=O)NO)cc1,CHEMBL325037,5.4
+O=C(NO)C(CCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL116752,5.64
+CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1,CHEMBL116641,6.27
+CC(C)CC(C(=O)NO)C(=O)NC(CO)C(=O)NCc1ccccc1,CHEMBL117664,4.46
+CCCCCCCCNC(=O)C(CC(C)C)C(=O)NO,CHEMBL116150,6.62
+CC(C)CC(C(=O)NO)C(=O)Nc1ccccc1C(=O)NCc1ccccc1,CHEMBL116529,4.44
+COC(=O)c1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)C(CC(C)C)C(=O)NO)cc1,CHEMBL419044,5.02
+CC(C)CC(C(=O)NO)C(=O)NC(CC(N)=O)C(=O)NCc1cccc(N)c1,CHEMBL325924,4.59
+O=C(NO)C(Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL113827,5.51
+CC(Cc1ccccc1)(C(=O)NO)C(=O)N1CCc2ccccc2C1,CHEMBL104870,5.09
+CC(Cc1ccccc1)(C(=O)NO)C(=O)NCCCCc1ccccc1,CHEMBL103480,6.42
+O=C(NO)C1(C(=O)NCc2ccccc2)Cc2ccccc2C1,CHEMBL100678,5.82
+CC(Cc1ccccc1)(C(=O)NO)C(=O)NCCc1ccccc1,CHEMBL102873,5.02
+CC(Cc1ccccc1)(C(=O)NO)C(=O)NCc1ccc(C(=O)O)cc1,CHEMBL103722,4.39
+CC(Cc1ccccc1)(C(=O)NO)C(=O)Nc1cccc2ccccc12,CHEMBL103129,4.35
+CC(=O)NC(Cc1ccccc1)(C(=O)NO)C(=O)NCc1ccccc1,CHEMBL321717,5.64
+CC(Cc1ccccc1)(C(=O)NO)C(=O)NCc1ccccc1,CHEMBL102373,5.96
+CCOC(=O)C(C)(CC(C)C)C(=O)NO,CHEMBL103200,4.39
+O=C(NO)C1(C(=O)NCCCc2ccccc2)Cc2ccccc2C1,CHEMBL105352,6.52
+O=C(NO)C1(C(=O)NCCCc2ccccc2)Cc2ccccc2-c2ccccc2C1,CHEMBL322660,5.72
+CC(Cc1ccccc1)(C(=O)NO)C(=O)Nc1ccccc1,CHEMBL322246,4.36
+CC(Cc1ccccc1)(C(=O)NO)C(=O)NCCCc1ccccc1,CHEMBL318970,6.62
+O=C(NO)C(O)(Cc1ccccc1)C(=O)NCc1ccccc1,CHEMBL322833,5.72
+CCOC(=O)C(C)(Cc1ccccc1)C(=O)NO,CHEMBL317231,4.96
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142625,4.74
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142599,4.4
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142627,4.72
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142594,5.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142607,7.0
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142611,4.92
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142613,4.41
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142591,4.35
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142612,4.47
+Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)c(C)c1,CHEMBL3142598,4.6
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142614,5.0
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142618,4.6
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142610,4.89
+CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142590,5.05
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142615,4.64
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142601,5.52
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142600,5.05
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142608,4.32
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142593,4.74
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142588,4.62
+Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142596,5.22
+Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142605,5.3
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142589,4.77
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142606,6.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142626,4.7
+C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1,CHEMBL3142592,6.0
+COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)Nc2n[nH]c(=S)s2)cc1,CHEMBL3142602,4.7
+O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL332858,6.89
+CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL123443,6.97
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122836,8.64
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL332439,4.6
+O=S(=O)(NO)c1ccc(F)cc1,CHEMBL332145,4.12
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1,CHEMBL121729,4.82
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(C)C)cc1,CHEMBL311336,7.89
+O=C(O)c1ccccc1S(=O)(=O)NO,CHEMBL333532,6.92
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL262676,8.96
+CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL332429,6.93
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL340461,9.22
+O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122109,4.64
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123463,8.96
+O=[N+]([O-])c1ccccc1S(=O)(=O)NO,CHEMBL121501,4.62
+Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123105,4.68
+COc1ccc(S(=O)(=O)NCC(=O)NO)cc1,CHEMBL83508,7.02
+O=S(=O)(NO)c1ccc(Cl)cc1,CHEMBL301469,4.15
+O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F,CHEMBL122925,6.0
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2)cc1,CHEMBL82868,7.51
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL122711,9.0
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293774,7.68
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1,CHEMBL316169,7.72
+COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1,CHEMBL440714,7.57
+O=S(=O)(Cc1ccccc1)NO,CHEMBL333122,4.12
+CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL331669,6.94
+COc1ccc(S(=O)(=O)NC(C)C(=O)NO)cc1,CHEMBL333896,6.9
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL432223,8.89
+COc1ccc(S(=O)(=O)NO)cc1N,CHEMBL122950,5.0
+CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO,CHEMBL333248,6.95
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL293503,10.0
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1,CHEMBL331342,8.05
+Cc1ccc(S(=O)(=O)NO)cc1,CHEMBL121559,4.19
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL330857,8.38
+CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL123775,9.52
+O=S(=O)(NO)c1ccccc1,CHEMBL55310,4.13
+O=C(CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO,CHEMBL123167,6.9
+O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL441084,8.28
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL55110,8.62
+COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)NO)cc1,CHEMBL332120,7.74
+Cc1cc(C)c(S(=O)(=O)NO)c(C)c1,CHEMBL123064,4.44
+COc1ccc(S(=O)(=O)NO)cc1,CHEMBL122868,4.8
+COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1,CHEMBL121916,6.9
+O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO,CHEMBL122719,8.26
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL306726,8.96
+O=S(=O)(NO)c1cccc(C(F)(F)F)c1,CHEMBL332362,5.82
+COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1,CHEMBL123382,6.91
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccccc2[N+](=O)[O-])cc1,CHEMBL122651,7.57
+CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,CHEMBL332755,9.0
+CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL331311,8.48
+CC(=O)Nc1ccc(S(=O)(=O)NO)cc1,CHEMBL123233,4.92
+O=S(=O)(NO)c1ccc(Br)cc1,CHEMBL123404,4.16
+O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl,CHEMBL331114,4.8
+CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL120049,7.0
+CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL123041,8.31
+CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL122831,8.19
+COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C(C)C(=O)NO)cc1,CHEMBL450327,7.7
+CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO,CHEMBL332406,6.98
+CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CHEMBL304281,8.29
+O=S(=O)(NO)c1ccc(I)cc1,CHEMBL120934,4.15
+O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1,CHEMBL121592,4.8
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,CHEMBL91636,8.96
+CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,CHEMBL88520,9.3
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1,CHEMBL321213,6.77
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110750,6.96
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C(F)(F)F)cc2)CS1,CHEMBL109770,6.59
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)s2)CS1,CHEMBL111678,6.74
+Cc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109655,6.52
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109603,6.11
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111257,6.14
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL111450,6.64
+C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109861,7.22
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL322795,6.46
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(C#N)cc2)CS1,CHEMBL422250,6.66
+CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109806,6.32
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1,CHEMBL110970,6.68
+C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1,CHEMBL109579,6.72
+C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL111179,6.7
+C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL109353,6.82
+Cc1ccc(C2=NN=C(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL109214,6.66
+COc1ccc(C2=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)SC2)cc1,CHEMBL419750,6.74
+CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1,CHEMBL422251,5.36
+O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL8943,5.07
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc21)NO,CHEMBL323874,4.82
+COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1,CHEMBL114804,8.04
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL45483,9.15
+O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL420487,7.15
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL325048,7.43
+O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,CHEMBL24398,6.77
+O=C(C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,CHEMBL115082,4.4
+CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1,CHEMBL419751,9.35
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O,CHEMBL115712,6.52
+COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1,CHEMBL114357,5.92
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL431680,6.17
+NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1,CHEMBL115263,6.37
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL325163,6.8
+O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)[C@@H](C(=O)NO)CCCO1,CHEMBL114878,6.57
+CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCCC1CO)C(C)C,CHEMBL117720,6.72
+CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C,CHEMBL325015,8.33
+CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO,CHEMBL117296,6.77
+CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL324369,7.0
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO,CHEMBL332891,5.38
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL281795,9.4
+CC(C)C[C@H](CP(=O)(O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL30804,8.4
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(=O)(O)CSc1ccc2ccccc2n1,CHEMBL31164,6.99
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,CHEMBL282146,7.85
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL286904,6.79
+CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL285418,9.3
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL70430,9.52
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1,CHEMBL306871,9.31
+CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL306912,9.35
+CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305222,9.09
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1,CHEMBL308598,7.57
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1,CHEMBL70426,8.16
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1,CHEMBL72337,8.11
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(O)cc1,CHEMBL71630,7.89
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71468,7.68
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70570,9.19
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,CHEMBL308012,8.43
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCc2ccccc21,CHEMBL152104,6.89
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@H]1O,CHEMBL70953,7.14
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1,CHEMBL70965,9.37
+CNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL305780,8.62
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1,CHEMBL306224,9.47
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1,CHEMBL306470,8.8
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1,CHEMBL307090,9.23
+CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL303155,9.27
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL422948,9.41
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1,CHEMBL310249,9.54
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1c2ccccc2C[C@@H]1O,CHEMBL304617,8.21
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1,CHEMBL71071,9.12
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1,CHEMBL70354,8.17
+CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71618,8.89
+CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70315,9.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCc2ccccc21,CHEMBL151741,7.62
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1,CHEMBL70417,9.96
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL70406,7.89
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1,CHEMBL69072,7.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL302954,7.85
+CCCCCO[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71014,8.11
+CNC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL74175,8.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1,CHEMBL302368,8.92
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1,CHEMBL302311,9.48
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCc1ccccc1,CHEMBL69024,9.02
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1,CHEMBL306524,10.0
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1,CHEMBL71800,8.44
+CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70398,9.28
+CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL68890,9.52
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)OC(C)C,CHEMBL70639,7.92
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOC)CC(C)C,CHEMBL308429,8.11
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1,CHEMBL74182,9.03
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1,CHEMBL72788,9.31
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1,CHEMBL71995,9.25
+CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL71713,8.19
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)CC(C)C,CHEMBL71801,7.27
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C,CHEMBL70049,8.07
+CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL70492,9.19
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C,CHEMBL303918,7.77
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO,CHEMBL420932,9.46
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nc2ccccc2[nH]1,CHEMBL72743,8.28
+CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL306189,8.8
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCc1ccccc1)CC(C)C,CHEMBL430612,7.8
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO,CHEMBL70571,9.39
+CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCC(=O)OC)CC(C)C,CHEMBL308032,6.34
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCCN1CCOCC1,CHEMBL68149,8.35
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1,CHEMBL308397,8.35
+CC(C)C[C@H](CC(=O)NO)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1,CHEMBL68049,7.11
+CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,CHEMBL304045,6.41
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1,CHEMBL69506,9.2
+CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC,CHEMBL71482,9.62
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1,CHEMBL308228,9.15
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+CNC(=O)[C@@H]1CCCNCCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1,CHEMBL34085,8.4
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+CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1,CHEMBL50228,7.77
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+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL51862,7.82
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+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccccc1[N+](=O)[O-])NO,CHEMBL53051,7.89
+CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL280017,7.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1)NO,CHEMBL55154,8.05
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+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO,CHEMBL52994,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)NO,CHEMBL299023,7.82
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+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=S)NC(=O)c1ccccc1)NO,CHEMBL54535,8.82
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL301085,8.7
+CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL293305,7.96
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)c1,CHEMBL54566,7.51
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL293528,8.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1)NO,CHEMBL56498,9.0
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL53847,8.68
+Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL297488,8.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO,CHEMBL56065,7.92
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,CHEMBL54501,7.41
+Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL55521,8.82
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO,CHEMBL55236,7.35
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,CHEMBL417749,7.37
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO,CHEMBL300807,8.3
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1,CHEMBL55561,7.49
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NO,CHEMBL417200,8.0
+CN(C)c1cccc2c(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12,CHEMBL292657,7.24
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)NO,CHEMBL54483,8.96
+CS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL293504,7.62
+Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL53949,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1)NO,CHEMBL56025,8.48
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,CHEMBL416304,7.55
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F)NO,CHEMBL54965,8.1
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL405600,7.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl)NO,CHEMBL55907,7.72
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL53457,7.74
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1)NO,CHEMBL56951,7.68
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO,CHEMBL54621,8.4
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1,CHEMBL53116,7.64
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)O)Cc3ccc([N+](=O)[O-])cc3)c2)cc1,CHEMBL54406,7.52
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F)NO,CHEMBL53094,7.7
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1)NO,CHEMBL54436,8.62
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)NO,CHEMBL439931,9.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1)NO,CHEMBL293357,9.3
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1)NO,CHEMBL55984,8.85
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO,CHEMBL299600,8.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO,CHEMBL53044,8.0
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)c(C)c1,CHEMBL299091,7.54
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1)NO,CHEMBL55522,8.89
+CN(C)S(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1,CHEMBL55107,7.46
+Cc1ccc(S(=O)(=O)NC(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1,CHEMBL52531,8.22
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1)NO,CHEMBL53091,7.59
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO,CHEMBL54054,9.15
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)NO,CHEMBL300362,8.4
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO,CHEMBL301786,7.89
+O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccc([N+](=O)[O-])cc1)NO,CHEMBL292431,8.1
+COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OC(C)(C)C,CHEMBL301977,8.15
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1,CHEMBL53009,7.57
+O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1,CHEMBL301177,7.47
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL407540,7.7
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL327617,8.1
+CCCCCCCC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL432770,8.22
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1ccccc1,CHEMBL87300,8.35
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL327641,8.37
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1,CHEMBL313472,8.82
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL315901,7.35
+CC(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316200,8.46
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)COCc1ccccc1,CHEMBL87159,8.6
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL86390,7.7
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O,CHEMBL405651,8.12
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1,CHEMBL315843,8.4
+CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL313360,8.26
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL88187,7.47
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1,CHEMBL89057,8.3
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL330731,6.62
+COc1ccc(CSCC(CP(=O)(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1,CHEMBL277792,9.15
+CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(COCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL329651,7.72
+NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL313386,6.64
+CC(NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CHEMBL314199,6.62
+NCC(C(N)=O)N(C(=O)C(CCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL87786,7.6
+NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL328886,8.6
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1,CHEMBL313896,8.3
+NC(=O)C(Cc1c[nH]c2ccccc12)N(N)C(=O)C(CCCc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,CHEMBL315046,7.77
+CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88188,8.15
+CC(C)CC(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL85744,7.4
+CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C,CHEMBL115653,8.4
+CNC(=O)C1CCCCNC(=O)CCC(C(=O)O)NC(CCc2ccccc2)C(=O)N1,CHEMBL381189,7.77
+COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1,CHEMBL202932,9.22
+COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1,CHEMBL382201,6.15
+Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cc2)c2ccccc2n1,CHEMBL208009,6.66
+CC#CCOc1ccc(S(=O)(=O)CCCS)cc1,CHEMBL402747,5.57
+CSc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,CHEMBL402436,5.71
+Cc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,CHEMBL403186,5.73
+C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1,CHEMBL271235,5.7
+Cc1cc(COc2ccc(C(=O)N[C@]3(CC(=O)NO)C[C@H](C)N[C@H](C)C3)cc2)c2ccccc2n1,CHEMBL495502,5.69
+NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1,CHEMBL507420,6.57
+COc1ccccc1SC[C@H](CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL447457,7.41
+O=C(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL550148,8.05
+COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,CHEMBL311932,8.05
+COc1ccc(S(=O)(=O)N(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NO)cc1,CHEMBL1232074,8.04
+COc1ccc(S(=O)(=O)N(CCO)CC(=O)NO)cc1,CHEMBL1234724,7.89
+COc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1,CHEMBL1632637,7.62
+COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO)cc1,CHEMBL1632638,8.1
+COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)NO)cc1,CHEMBL1632639,8.05
+COc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)[C@@H](C)O)cc1,CHEMBL1632640,8.0
+O=C(CN(CCO)S(=O)(=O)c1ccc(F)cc1)NO,CHEMBL1632641,6.76
+O=C(CN(CCO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL1233772,8.34
+O=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,CHEMBL1632642,7.32
+COc1ccc(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1,CHEMBL1770700,6.05
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CCOCC1,CHEMBL1771215,6.77
+COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CC1,CHEMBL1771216,7.1
+Cc1ccc(-c2nnn(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)n2)nc1,CHEMBL1771217,6.62
+Cc1ccc(-c2nnnn2CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)nc1,CHEMBL1771218,6.6
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CCOCC1,CHEMBL1771219,6.74
+CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CC1,CHEMBL1771220,6.59
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cnc(-c4ccc(OC(F)(F)F)cc4)c3)cc2)CCOCC1,CHEMBL1771221,7.13
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCn3cncc3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771222,6.85
+O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,CHEMBL1771223,7.14
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C(C)C)cc1,CHEMBL85030,7.64
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,CHEMBL2153737,8.6
+O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1,CHEMBL2385493,6.56
+O=C(NO)[C@@H]1CCCN1S(=O)(=O)CCc1ccc(Cl)s1,CHEMBL2385492,8.22
+O=C(O)CNS(=O)(=O)CCc1ccc(Cl)s1,CHEMBL2385491,6.44
+O=C(CNS(=O)(=O)CCc1ccc(Cl)s1)NO,CHEMBL2385490,7.43
+O=C(NO)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2c(c1)OCO2,CHEMBL2385489,7.89
+O=C(CNS(=O)(=O)CCc1ccc2c(c1)OCO2)NO,CHEMBL2385488,7.7
+O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1,CHEMBL2385487,8.52
+O=C(O)CNS(=O)(=O)CCc1ccc(-c2ccccc2)cc1,CHEMBL2385486,8.15
+O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1,CHEMBL2385485,7.01
+O=C(CNS(=O)(=O)CCc1ccc(Oc2ccccc2)cc1)NO,CHEMBL2385484,7.49
+COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1,CHEMBL2385483,8.4
+COc1ccc(CCS(=O)(=O)NCC(=O)NO)cc1,CHEMBL2385482,7.85
+O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1,CHEMBL2385481,7.37
+O=C(CNS(=O)(=O)CCc1ccccc1)NO,CHEMBL2385480,7.12
+O=C(CNS(=O)(=O)c1ccccc1)NO,CHEMBL2385479,6.62
+CCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442886,4.82
+COC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442885,4.89
+CCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442882,4.77
+CCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442878,4.82
+CCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1,CHEMBL2442890,4.96
+NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1,CHEMBL3675550,6.47
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diff --git a/chembl_200/CHEMBL4608.csv b/chembl_200/CHEMBL4608.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e383880fcb28e2d3130a0631f59dde0f4975fa1c
--- /dev/null
+++ b/chembl_200/CHEMBL4608.csv
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+N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL8287,4.35
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+c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1,CHEMBL8045,4.85
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+NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL85918,5.4
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL442504,10.05
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+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL436169,5.31
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370533,7.66
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333263,5.6
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(=O)NN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL123938,6.27
+CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL122773,6.625
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL331728,5.32
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL332762,5.3
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420727,5.31
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL334309,5.57
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370553,7.8
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL331259,7.7
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333178,6.89
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL124169,6.82
+N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL432407,5.15
+CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL408843,9.41
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL434985,7.19
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420167,7.74
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL385465,8.37
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL407213,6.14
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333262,5.62
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL266417,7.59
+CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL268851,7.55
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1,CHEMBL365465,5.72
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1,CHEMBL183799,6.22
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL362670,4.77
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL180937,4.74
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1,CHEMBL185195,4.77
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL361052,5.09
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1,CHEMBL362010,4.03
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL263182,4.8
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL405150,4.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL365039,5.01
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL185862,6.04
+COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1,CHEMBL363019,6.33
+COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL364560,6.27
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1,CHEMBL188651,6.32
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1,CHEMBL365237,5.92
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1,CHEMBL187659,5.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL340355,5.92
+NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL183434,5.64
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL365278,6.59
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL366706,6.62
+CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL185035,6.23
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL360716,6.57
+Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)cc3)NC3CCCCC3)CC2)c1,CHEMBL184385,5.75
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1,CHEMBL183842,6.54
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ncccn3)CC2)cc1,CHEMBL182844,6.52
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(Cc3ccccc3)CC2)cc1,CHEMBL185398,7.36
+CN1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1,CHEMBL184323,7.3
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1,CHEMBL184275,7.74
+C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185469,8.68
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185455,7.68
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1,CHEMBL184432,8.23
+CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1,CHEMBL363730,7.96
+CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)O1,CHEMBL187022,6.46
+CC1CC(C)CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1,CHEMBL186249,6.84
+O=C1CN(/C(=N\C2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1,CHEMBL363440,6.25
+CC1C(=O)NCCN1/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1,CHEMBL187757,5.98
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+CCCN(CCC)/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1,CHEMBL186189,6.44
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+O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195734,5.64
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF,CHEMBL436122,6.25
+CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192464,6.17
+O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195308,6.46
+CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL363576,6.52
+CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194987,6.46
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1,CHEMBL195110,6.8
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1,CHEMBL364215,6.14
+NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL390130,6.0
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186083,6.0
+NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186289,6.0
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1,CHEMBL186074,6.14
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+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O,CHEMBL414718,9.59
+CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O,CHEMBL266879,9.08
+CSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O,CHEMBL427666,7.21
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL412523,7.42
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL415661,7.37
+CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL407809,6.62
+CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21,CHEMBL2113133,5.4
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113139,6.15
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL2113144,6.59
+CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1,CHEMBL2113149,6.55
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1,CHEMBL380855,5.92
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL377961,6.02
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+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1,CHEMBL438432,5.85
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1,CHEMBL206840,6.04
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1,CHEMBL380365,6.04
+CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1,CHEMBL380858,5.7
+COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL378046,5.68
+COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL377231,7.07
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL213122,6.0
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213380,5.92
+CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215659,6.77
+CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL211564,6.3
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL365597,6.55
+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233135,5.66
+COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL392092,5.8
+CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233372,5.23
+CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233758,6.06
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1,CHEMBL236650,6.44
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1,CHEMBL439560,6.0
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL236940,6.6
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL236014,6.62
+NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235617,5.06
+NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235616,5.04
+NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235382,4.74
+NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL393553,5.0
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1,CHEMBL394669,4.64
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL235162,4.31
+NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL236226,4.8
+N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1,CHEMBL238369,4.43
+NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL393552,4.74
+NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238368,4.96
+N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238367,4.4
+N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238159,5.0
+NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1,CHEMBL238158,4.28
+NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398980,4.66
+NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398777,5.18
+CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N,CHEMBL238153,5.18
+NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL237930,5.01
+NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL236645,4.77
+NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL392521,4.49
+NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL236443,5.19
+N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236442,4.43
+N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393350,5.59
+N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236020,4.595
+N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236022,4.96
+N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235802,4.68
+N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL393532,4.8
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238149,5.21
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235798,4.89
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL235592,4.55
+N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL235590,5.08
+N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235147,4.77
+N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL238353,4.82
+COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC,CHEMBL394075,5.04
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+NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL238144,5.11
+N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237920,5.08
+NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1,CHEMBL393568,4.36
+C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL235582,5.178
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL394073,4.68
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235359,4.08
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL237698,4.66
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL399811,5.14
+N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237689,4.68
+N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL399810,5.3
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL413982,4.82
+NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235358,5.28
+COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL396111,4.96
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+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL236626,4.01
+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235140,5.28
+COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL236002,4.74
+COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL238345,5.04
+COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br,CHEMBL237688,4.64
+NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393753,4.31
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+NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237714,5.04
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+Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237504,5.0
+Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL236639,5.36
+Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL391944,4.82
+Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL394646,4.8
+Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL237291,4.92
+CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL394645,5.05
+CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237290,4.07
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+NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237070,5.14
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+CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC,CHEMBL429451,5.02
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+COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL237069,5.08
+NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL236649,4.4
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+NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL410179,4.54
+CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL392316,4.51
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236638,5.68
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL392315,5.42
+C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL236847,4.7
+NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL393919,4.68
+NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1,CHEMBL235356,5.1
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CHEMBL393383,4.27
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL235138,5.29
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL235137,5.34
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1,CHEMBL235136,4.7
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1,CHEMBL238342,4.47
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1,CHEMBL238341,4.62
+CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL391707,4.47
+C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12,CHEMBL238136,4.77
+C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238135,5.06
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12,CHEMBL238134,5.27
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL391706,4.55
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237912,5.66
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL237911,5.17
+NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL237910,5.1
+NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237694,4.64
+NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1,CHEMBL237693,4.46
+CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237692,4.96
+NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL393558,5.1
+NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3,CHEMBL237483,4.34
+NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL393557,4.72
+NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237052,5.1
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237051,4.47
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393359,5.14
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236842,5.28
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236841,5.34
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL438334,4.7
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL236840,4.25
+NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236630,4.07
+NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL392096,5.0
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL392094,4.46
+CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12,CHEMBL236003,4.89
+NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237687,4.8
+NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12,CHEMBL393125,4.74
+NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL396341,4.6
+NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL235627,4.92
+NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL393755,4.6
+NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL238180,4.64
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1,CHEMBL394647,4.04
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL235815,4.24
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL396303,4.05
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12,CHEMBL391823,6.03
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL237937,5.37
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237935,4.51
+NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1,CHEMBL392223,5.0
+NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL399624,5.31
+NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393918,4.96
+NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12,CHEMBL237957,4.92
+NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237743,4.89
+NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237530,4.48
+CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL394149,4.26
+NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237315,4.64
+NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237314,4.92
+NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1,CHEMBL237094,5.49
+NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1,CHEMBL396638,5.47
+NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1,CHEMBL428903,4.92
+NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1,CHEMBL237299,4.6
+NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL237079,4.54
+NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL237719,4.89
+CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236450,4.72
+NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL396655,4.7
+NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236447,4.74
+NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12,CHEMBL235797,4.57
+NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235139,4.02
+NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237919,4.74
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1,CHEMBL236803,4.92
+CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL393576,6.07
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+CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL397580,5.89
+CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C,CHEMBL240571,6.74
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1,CHEMBL240364,6.49
+CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL240780,6.455
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+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1,CHEMBL235556,6.15
+CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL266647,6.22
+Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1,CHEMBL393584,5.92
+Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1,CHEMBL272538,6.1
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+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL511826,6.27
+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454900,6.02
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454916,6.27
+CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL471340,5.74
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL513404,6.01
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL460942,6.48
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL467771,5.96
+CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL498150,6.4
+CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL467588,6.41
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1,CHEMBL467587,7.47
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467586,7.89
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL525177,6.96
+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL497746,5.96
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467772,7.17
+COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3,CHEMBL1682208,5.81
+COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O,CHEMBL1682209,6.41
+c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CHEMBL508112,5.43
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,5.67
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,5.05
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,4.43
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726,5.05
+CCCCCCCCCCCCCCCC[n+]1ccccc1,CHEMBL334255,5.46
+C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,CHEMBL404811,5.44
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002,4.57
+CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,CHEMBL407135,6.6
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,5.15
+CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,CHEMBL428647,4.79
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,4.67
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,6.94
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,4.6
+CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,CHEMBL809,5.37
+N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL1923662,7.57
+CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL1923663,7.24
+C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O,CHEMBL1923664,7.34
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL1923665,9.12
+C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C,CHEMBL1923666,8.85
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL1923667,9.15
+C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C,CHEMBL1923668,8.41
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL2070241,7.77
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070242,8.29
+CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070243,8.8
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070244,8.37
+CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070245,9.33
+CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070246,8.92
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070247,7.82
+CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070248,8.52
+CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070249,8.0
+CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070250,7.4
+CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070251,8.52
+CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070252,8.47
+CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2069317,8.54
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070253,6.15
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070254,6.57
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070373,6.96
+CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070374,7.89
diff --git a/chembl_200/CHEMBL4630.csv b/chembl_200/CHEMBL4630.csv
new file mode 100644
index 0000000000000000000000000000000000000000..8993664abbb76387483431c5499c3b9276caf517
--- /dev/null
+++ b/chembl_200/CHEMBL4630.csv
@@ -0,0 +1,363 @@
+OCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL189434,4.86
+OCCNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL366312,5.89
+COc1ccc(-c2oc3ncnc(NCCO)c3c2-c2ccc(OC)cc2)cc1,CHEMBL190201,5.14
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OC2CCOC2)cn1,CHEMBL195373,8.5
+COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)ccc1O,CHEMBL202930,7.5
+N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL383264,5.3
+COc1cc(OC)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL207994,8.0
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,7.5
+COc1cc(N)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207596,8.4
+Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,CHEMBL379218,5.59
+O=C1Nc2cncc(n2)OCCCCCOc2ccc(Cl)cc2N1,CHEMBL223512,8.1
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,8.385
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,7.88
+N#Cc1ncc2nc1OCCCCCOc1cc(NCc3ccncc3)c(Cl)cc1NC(=O)N2,CHEMBL220035,7.9
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,8.3
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,7.6
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,8.315
+COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1[N+](=O)[O-],CHEMBL389816,8.0
+COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1O,CHEMBL241966,7.1
+O=C1Nc2cc(Cl)ccc2Nc2ccccc21,CHEMBL396034,4.8
+OCc1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2,CHEMBL232804,8.4
+OCc1cccc2c1Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,CHEMBL232392,8.1
+OCc1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,CHEMBL391450,8.1
+Oc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1,CHEMBL391449,8.2
+O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1,CHEMBL392765,6.52
+Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CNCC5CC5)nc4)[nH]n3)cc2)c(O)c1,CHEMBL241447,9.1
+CCC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)n[nH]2)cn1,CHEMBL392900,9.7
+Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCCC5)nc4)[nH]n3)cc2)c(O)c1,CHEMBL241233,9.52
+CN(C)Cc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)n[nH]2)cc1,CHEMBL392692,9.72
+Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CNC5CC5)cc4)[nH]n3)cc2)c(O)c1,CHEMBL241232,9.42
+Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCC5)cc4)[nH]n3)cc2)c(O)c1,CHEMBL241231,9.74
+CC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)n[nH]2)cc1,CHEMBL398606,9.44
+Oc1ccc(-c2ccc(-c3cc(Nc4ccccc4)[nH]n3)cc2)c(O)c1,CHEMBL241024,8.92
+O=C(Nc1ccc(O)cc1O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1,CHEMBL239737,9.3
+COc1cc2c(cc1OC(CO)CO)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,CHEMBL248194,10.0
+COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2,CHEMBL245796,8.8
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,8.2
+COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)nc3)c1C2,CHEMBL245802,9.6
+COc1cc(C#Cc2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)ccc1O,CHEMBL248396,8.3
+COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(-c4nn[nH]n4)cc3)c1C2,CHEMBL245605,7.9
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,8.4
+N#Cc1ncc2nc1OCC=CCOc1cc(N)c(Cl)cc1NC(=O)N2,CHEMBL249363,9.5
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.9
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OCC2C[C@H](O)[C@H](O)C2)cn1,CHEMBL551086,8.7
+Cc1[nH]c(/C=C2\C(=O)NN=C2N)c(C)c1CCO,CHEMBL572125,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(=O)O,CHEMBL552355,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)CO)cc2NC3=O)ccc1[N+](=O)[O-],CHEMBL558077,8.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1[N+](=O)[O-],CHEMBL540992,8.2
+O=c1cc(-c2ccccn2)c2c(=O)[nH][nH]c2[nH]1,CHEMBL558070,4.9
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OC2CCC(O)C2)cn1,CHEMBL549660,8.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN4CCCC4)cc2NC3=O)ccc1O,CHEMBL554904,7.7
+O=C1Nc2cncc(n2)OCC(O)C(O)COc2ccc(Cl)cc2N1,CHEMBL560149,7.8
+COc1cccc(-c2ccc3c(c2)Nc2ccc(CCC(=O)N(C)C)cc2NC3=O)c1,CHEMBL559425,8.6
+N#Cc1ccc(-c2n[nH]c3c2Cc2cc(OC4CCOCC4)ccc2-3)cn1,CHEMBL563331,8.0
+NC(=O)c1cc2c(-c3cncc(-c4cccnc4)c3)n[nH]c2s1,CHEMBL549662,7.1
+Cc1n[nH]c2sc3c(=O)[nH]c(-c4ccccc4)nc3c12,CHEMBL558209,6.6
+CC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)c1,CHEMBL549525,6.9
+O=C(NCCCN1CCCC1)c1ccc2c(c1)NC(=O)c1ccc(-c3cc[nH]c(=O)c3)cc1N2,CHEMBL549526,7.5
+N#C/C(=C\c1c[nH]c2ncccc12)c1cccnc1,CHEMBL538899,6.0
+Cc1cc(O)ccc1-c1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,CHEMBL560150,6.8
+O=C(N[C@H]1CC[C@H](O)CC1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,CHEMBL438485,8.2
+COc1cc(-c2ccc(-c3n[nH]c4c3Cc3cc(CN[C@H]5CC[C@H](O)CC5)ccc3-4)cc2)ccc1O,CHEMBL563452,7.2
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCCC2)cn1,CHEMBL550209,8.5
+Nc1nc2cccc(-c3ccc4c(c3)Nc3ccc(CCOc5ccc(N6CCOCC6)cc5)cc3NC4=O)c2o1,CHEMBL557757,7.8
+Nc1cc2c[nH]nc2cc1N,CHEMBL559818,4.4
+C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,CHEMBL549730,4.8
+O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2C[N@]3CC[C@@H]2CC3)c1-c1nc2ccccc2[nH]1,CHEMBL550071,7.1
+COC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](O)CC4)ccc2-3)o1,CHEMBL556619,6.4
+COc1cc2c(cc1OC)-c1n[nH]c(-c3cccc(-c4cccnc4)c3)c1C2,CHEMBL563639,6.9
+CCc1cc2c(cc1OC1CCOC1)Cc1c(-c3cccnc3)n[nH]c1-2,CHEMBL563792,8.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1C(O)c1nccs1,CHEMBL558271,7.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)O)cc2NC3=O)ccc1[N+](=O)[O-],CHEMBL564952,8.0
+COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cncn3C)cc1N2,CHEMBL550073,7.1
+O=C1Nc2ccccc2/C1=C/c1c[nH]c2ncccc12,CHEMBL540922,5.7
+COc1cc(-c2cc3c(cc2C)C(=O)Nc2cc(CC(=O)Nc4ccc(N5CCOCC5)cc4)ccc2N3)ccc1[N+](=O)[O-],CHEMBL555947,7.2
+CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O,CHEMBL541259,6.3
+COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2,CHEMBL564542,8.0
+COc1cc(/C=C/c2[nH]nc3c2Cc2ccccc2-3)ccc1O,CHEMBL559695,7.1
+CSc1ncnc2[nH]ccc12,CHEMBL538900,4.9
+Cn1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)c2ccncc21,CHEMBL538671,9.2
+CN(c1ccc2c(c1)Cc1c(-c3ccoc3)n[nH]c1-2)[C@H]1CC[C@H](O)CC1,CHEMBL550819,6.6
+Cc1[nH]nc2nccc(-c3ccccc3)c12,CHEMBL559918,5.6
+O=c1nc[nH]c2scc(-c3cccs3)c12,CHEMBL559696,5.5
+Nc1cc2c(cc1Cl)NC(=O)Nc1cncc(n1)OCCC=CCO2,CHEMBL542007,8.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1[N+](=O)[O-],CHEMBL562875,8.2
+O=C1c2ccccc2S(=O)(=O)c2cc(-c3nn[nH]n3)ccc21,CHEMBL22336,6.3
+COc1cc2c(cc1OCCCN1CCOCC1)C(=O)c1c(-c3ccccc3)n[nH]c1-2,CHEMBL550820,8.3
+COc1ccc(Cl)cc1NC(=O)Nc1cncc(OC(C)CN(C)C)n1,CHEMBL550821,7.7
+N#Cc1cnc(NC(=O)Nc2cc3ccccc3cc2O)cn1,CHEMBL560210,8.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C)cc2NC3=O)ccc1-c1nc(C)no1,CHEMBL560211,7.4
+O=c1[nH]c2cnc(Cl)cc2cc1-c1cccc(Cl)c1,CHEMBL551025,5.9
+COc1ccc(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL558868,5.5
+COc1cc2c(cc1OCCN1CCCCC1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2,CHEMBL550479,9.3
+Oc1ccc(C=NNc2ccc3nnc(C(F)(F)F)n3n2)c(O)c1,CHEMBL559893,6.4
+COc1cc2c(cc1OCCN1CCCCC1)-c1[nH]nc(-c3ccc(OCCC4CCCN4C)cc3)c1C2,CHEMBL559063,7.3
+C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc5cc(O)ccc5c4)n[nH]c2-3)CC1,CHEMBL559064,6.3
+COc1cccc(-c2ccc3c(c2)Nc2c(cccc2OCCN2CCOCC2)NC3=O)c1,CHEMBL560413,7.0
+COc1cc2c(cc1OCCCCO)Nc1cc(Nc3cc(F)nc(F)c3)ccc1C(=O)N2,CHEMBL541515,8.7
+COC(=O)CCC1=NNC(=O)/C1=C\c1c[nH]c2ncccc12,CHEMBL565046,5.4
+COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(=O)NCc1ccc(O)c(O)c1,CHEMBL550680,6.8
+N[C@H](COc1cnc(Cl)c(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL379914,5.5
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCC(O)C2)cn1,CHEMBL555940,8.3
+C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1,CHEMBL242737,7.7
+COc1cc2c(cc1OCCN1CCCCC1)-c1[nH]nc(-c3ccc(OCC(C)=O)cc3)c1C2,CHEMBL560749,6.9
+NC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL563187,6.4
+C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1,CHEMBL395752,7.7
+COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3n2)ccc1O,CHEMBL551085,5.7
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2Nc2ccsc21,CHEMBL553642,6.1
+O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CHEMBL144719,4.4
+N#Cc1cnc(NC(=O)Nc2cc(Br)ccc2N2CCC[C@H](O)C2)cn1,CHEMBL537964,8.9
+O=C1Nc2ccccc2Nc2cc(-c3ccnc(OCCCO)c3)ccc21,CHEMBL564596,5.2
+Cc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1,CHEMBL538361,7.1
+Cc1n[nH]c(C)c1-c1ccccc1,CHEMBL540487,4.0
+CCN(CC)CCc1c(C)[nH]c(/C=C2\C(=O)NN=C2c2cnccn2)c1C,CHEMBL425356,6.5
+N#Cc1cnc(NC(=O)Nc2cc3ccccc3cn2)cn1,CHEMBL540497,7.7
+COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cccc4cnccc34)cc1N2,CHEMBL549459,7.9
+COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cc(OC)ncc3C)cc1N2,CHEMBL549313,8.1
+CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccnc(Nc4ccnc(Cl)c4)c3)cc1N2,CHEMBL549661,8.0
+CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2,CHEMBL540756,8.6
+O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)cc(F)c4)c4cnccc34)ccc21,CHEMBL540993,7.9
+COc1cc(-c2ccc3c(-c4nc5ccc(N)cc5[nH]4)n[nH]c3c2)ccc1O,CHEMBL549315,7.4
+O=C1c2ccccc2S(=O)(=O)c2cc(CO)ccc21,CHEMBL554147,4.4
+COc1cc2c(cc1OCCCN1CCOCC1)Cc1c(-c3ccccc3)n[nH]c1-2,CHEMBL559621,8.6
+CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1,CHEMBL549866,6.9
+COc1cccc(-c2ccc3c(c2)Nc2cc(OCc4csc(C)n4)c(OC)cc2NC3=O)c1,CHEMBL549527,8.4
+N[C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1230726,6.9
+O=C1Nc2ccccc2Nc2cc(Nc3ccc(O)cc3)ccc21,CHEMBL563638,5.4
+COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl,CHEMBL549867,6.2
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OC2CCNC2)cn1,CHEMBL558470,7.6
+COc1cccc(-c2ccc3c(c2)Nc2cc(OCc4ccncc4)c(OC)cc2NC3=O)c1,CHEMBL559498,8.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1[N+](=O)[O-],CHEMBL540484,7.9
+Clc1ncnc2[nH]cc(I)c12,CHEMBL540994,4.5
+COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(S(N)(=O)=O)s3)cc1N2,CHEMBL558666,6.6
+N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OC2C[C@H](O)[C@@H](O)C2)cn1,CHEMBL550417,8.3
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,6.55
+O=C(O)c1ccc(-c2n[nH]c3c2Cc2cc(CN4CCOCC4)ccc2-3)cc1,CHEMBL389780,8.1
+C=CCN1C(=O)NC(=O)/C1=C/c1c[nH]c2ncccc12,CHEMBL558804,5.1
+O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3ccc(O)cc3)ccc21,CHEMBL550616,7.8
+CN[C@@H]1C[C@@H]2O[C@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL364347,8.1
+CN1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(F)cc4)n[nH]c2-3)CC1,CHEMBL550617,7.4
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.8
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.4
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.9
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.6
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.5
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.0
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,5.7
+COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1OC,CHEMBL1997495,5.8
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.9
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.4
+CCOC(=O)Cc1nc2c(N)cccc2[nH]1,CHEMBL1981671,6.4
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.1
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,6.4
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.2
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,6.2
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,7.1
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.9
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.4
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,5.5
+Cc1nn(C)c(C)c2cc([N+](=O)[O-])cc1-2,CHEMBL1999632,5.8
+COc1cc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc(OC)c1OC,CHEMBL1982993,6.0
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,6.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,7.2
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,5.7
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.4
+Nc1nc2c(s1)Cc1ccccc1-2,CHEMBL1178727,4.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.9
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.1
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.6
+Clc1ccc2c(c1)NC1(CCCCC1)N2,CHEMBL1971150,5.6
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,7.9
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.5
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,5.8
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.2
+CCN(CC)CCNc1ccc(O)c2ccccc12,CHEMBL576113,6.4
+CC(C)(c1cc(Br)c(O)c(I)c1)c1cc(Br)c(O)c(I)c1,CHEMBL1964382,5.8
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.2
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,7.2
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,7.0
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.0
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.0
+Cc1csc2nc(N)nn12,CHEMBL1965838,4.5
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,5.5
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,5.9
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.8
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.8
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.4
+CN(C)c1ncnc2n[nH]cc12,CHEMBL1969787,5.3
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.8
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.6
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,4.4
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,7.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,5.2
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,5.7
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.6
+CN(C)c1ncnc2nc[nH]c12,CHEMBL407391,4.9
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,5.9
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.6
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.4
+Nc1ccc(-c2cccn3c(=O)[nH]nc23)cc1,CHEMBL1975503,4.9
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.5
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.9
+Nc1[nH]nc2c(Cl)cccc12,CHEMBL1980161,4.6
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.2
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.9
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.6
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,5.8
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.5
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.8
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.2
+Nc1nnc2sc3ccccc3n12,CHEMBL2001704,4.4
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,5.5
+c1ccc(-c2ncc3ccccn23)cc1,CHEMBL1380050,4.6
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,7.1
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.5
+CN(C)Cc1ccc2c(c1)NC(=O)C1CCCN21,CHEMBL539660,5.8
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,6.4
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.5
+O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1,CHEMBL2005352,5.6
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.4
+CN(C)c1ccc(N)c2ccccc12,CHEMBL1998253,6.5
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,CHEMBL1994864,6.1
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.2
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,6.1
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,6.8
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,6.8
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,5.4
+Cc1ccc2c(=O)nc[nH]c2c1,CHEMBL1949851,4.8
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.0
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.8
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.6
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.7
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,6.3
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,8.5
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.1
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.2
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,5.1
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.7
+Clc1ccc2c(c1)nnc1nnnn12,CHEMBL1986503,6.4
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,7.4
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.2
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.4
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.4
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.3
+Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL2001224,8.0
+Nc1nnc2cccc(Cl)n12,CHEMBL1966799,4.2
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.8
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,5.2
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.9
+O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)c(F)c(F)c4)c4cnccc34)ccc21,CHEMBL2001923,7.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCC(O)CO,CHEMBL1981045,7.7
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.4
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,6.1
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.4
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.3
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,5.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.0
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,CHEMBL1979252,5.3
+Nc1ncnc2sccc12,CHEMBL1972934,5.1
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,7.4
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,7.0
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.4
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,5.9
+O=C1NC(=O)C(Nc2ccccc2)=C1Cl,CHEMBL2007138,4.9
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,7.0
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,7.1
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.1
+O=C(O)c1cnc2sccn2c1=O,CHEMBL1971679,4.4
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.4
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.1
+CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1,CHEMBL1971289,6.4
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.1
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.0
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.6
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N,CHEMBL1985566,7.6
+N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,CHEMBL1980802,8.2
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,5.3
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,6.9
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,7.3
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,6.9
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.4
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.2
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,5.5
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.5
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,5.1
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,6.0
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.1
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,5.4
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.3
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.6
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.1
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,6.5
+CNC(=O)c1cc(-c2ccccc2)n[nH]1,CHEMBL1995916,4.3
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,5.0
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,5.4
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.3
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.2
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,6.0
+CS(=O)(=O)Nc1ccc(Nc2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1988872,5.7
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.4
+COC(=O)c1csc2ccc(=O)[nH]c12,CHEMBL2003545,4.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.2
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,5.4
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,6.6
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.2
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.3
+COc1cc(OC)nc(N2Cc3ccccc3CC2C(=O)O)n1,CHEMBL1965604,6.1
+O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,5.7
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,7.3
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.3
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.8
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.0
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.9
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.3
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.4
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,4.7
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.6
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.6
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,5.7
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.3
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,9.0
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,6.0
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,5.6
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.1
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.6
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,7.3
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.8
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.9
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,5.4
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.3
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,5.6
+O=S(=O)(Nc1ccc2ccccc2c1O)c1ccc(F)cc1,CHEMBL1968025,5.5
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.1
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.2
+O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(Br)c1c2=O,CHEMBL1976158,6.7
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,5.6
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,7.5
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.2
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.0
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.2
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,5.4
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.5
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.3
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.4
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.78
+Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1,CHEMBL3288854,6.96
diff --git a/chembl_200/CHEMBL4644.csv b/chembl_200/CHEMBL4644.csv
new file mode 100644
index 0000000000000000000000000000000000000000..aa0ee0d43b09bdd8c416b3a8eb3266f03c998ebf
--- /dev/null
+++ b/chembl_200/CHEMBL4644.csv
@@ -0,0 +1,494 @@
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL441738,9.14
+CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C,CHEMBL214332,7.34
+CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O,CHEMBL437050,6.16
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL266417,6.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL423101,5.44
+CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL349850,5.15
+CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL338594,5.06
+CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL407825,6.27
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316259,6.59
+N#CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88630,6.46
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL312998,6.85
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL316038,6.2
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL419307,6.96
+CC(C)(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL315356,6.89
+CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL264306,6.24
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88537,6.36
+CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL88185,5.72
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL89004,7.18
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL431801,7.87
+COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL315258,6.42
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL89270,6.05
+CC(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL313377,6.55
+CSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL327450,6.64
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL92481,7.7
+CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL406276,6.77
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL328117,6.8
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL432565,7.19
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL329586,6.68
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL86573,6.27
+N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,CHEMBL91957,6.36
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL439128,8.17
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL263878,6.62
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370966,5.47
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370967,7.92
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370964,9.09
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370968,9.7
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL427629,5.8
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370963,7.82
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL2370965,5.85
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL441760,6.32
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C,CHEMBL438235,6.82
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C,CHEMBL409049,6.82
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL409636,8.26
+CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O,CHEMBL410168,7.17
+CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,CHEMBL438030,7.37
+CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL415333,7.27
+O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12,CHEMBL2092821,4.17
+NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL9274,4.25
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1,CHEMBL1159702,4.85
+NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL9138,4.28
+N=C(N)NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1,CHEMBL1159700,4.09
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12,CHEMBL1159699,4.43
+C=CCOC(=O)[C@H](CCCNC(=N)N)NCc1ccc2ccccc2c1,CHEMBL1159701,4.55
+N=C(N)NCCCNC(=O)[C@H](CCCNC(=N)N)NCc1ccc2ccccc2c1,CHEMBL313379,5.31
+N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12,CHEMBL1159697,5.19
+NCCCNCc1ccc2ccccc2c1,CHEMBL8201,4.24
+N=C(N)NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL267020,4.963
+N=C(N)NCCCNCc1ccc2ccccc2c1,CHEMBL269689,4.51
+N=C(N)NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1,CHEMBL2113315,4.72
+c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1,CHEMBL269653,4.07
+O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL8825,4.48
+c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1,CHEMBL8045,4.23
+NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1,CHEMBL266305,4.24
+NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1,CHEMBL269776,4.275
+N=C(N)NCCCNCc1c[nH]c2ccccc12,CHEMBL8742,4.35
+N=C(N)NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12,CHEMBL2113280,4.28
+NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,CHEMBL85918,4.5
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL91041,7.11
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL314401,6.55
+C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL315397,6.43
+C[C@@H]1NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O,CHEMBL436903,5.85
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL439188,8.11
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL313690,6.96
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL313279,8.23
+N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O,CHEMBL433413,6.85
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL432377,7.92
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL2370154,8.92
+N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL606990,6.41
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL433645,6.38
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL436169,5.23
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370533,7.7
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333263,5.52
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(=O)NN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL123938,6.82
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL442504,9.64
+CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL122773,6.77
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL331728,5.82
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL332762,5.23
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420727,5.23
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL334309,5.52
+CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL2370553,7.6
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL331259,7.7
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333178,7.25
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL124169,7.33
+N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL432407,5.23
+CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,CHEMBL408843,8.59
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL434985,7.54
+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL420167,7.85
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL385465,9.02
+CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O,CHEMBL407213,6.72
+N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL333262,5.54
+CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O,CHEMBL268851,7.54
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1,CHEMBL365465,5.62
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1,CHEMBL184275,5.66
+C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185469,5.46
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1,CHEMBL185455,5.55
+C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1,CHEMBL184432,5.55
+CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1,CHEMBL363730,5.41
+CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1,CHEMBL366042,5.62
+O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1,CHEMBL186339,5.6
+CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1,CHEMBL186439,5.64
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1,CHEMBL193409,5.62
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1,CHEMBL362964,5.83
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1,CHEMBL371366,6.28
+N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL195638,5.87
+N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL191975,5.31
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL194011,6.6
+N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL371365,6.59
+COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C(=O)[C@H](CCCNC(=N)N)NC(=O)Cc2cccc3ccccc23)cc1,CHEMBL193715,6.06
+N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL364519,5.95
+N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL372965,4.97
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL372966,6.05
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL192450,6.57
+N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL191794,6.16
+N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL413565,7.18
+N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1CN)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1,CHEMBL1161794,5.15
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1,CHEMBL182277,5.72
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1,CHEMBL183799,6.2
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL362670,5.19
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL180937,5.06
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1,CHEMBL185195,4.82
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL361052,5.17
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1,CHEMBL362010,4.46
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL263182,5.28
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1,CHEMBL405150,5.25
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1,CHEMBL365039,5.36
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1,CHEMBL185862,6.15
+COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1,CHEMBL363019,6.19
+COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1,CHEMBL364560,5.96
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1,CHEMBL188651,5.96
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1,CHEMBL365237,5.49
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1,CHEMBL187659,5.64
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL365278,5.64
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1,CHEMBL366706,5.74
+CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL185035,5.44
+CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1,CHEMBL360716,5.7
+CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195071,6.24
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1,CHEMBL363641,5.8
+NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL364463,6.02
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL365597,6.19
+CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL363190,6.35
+COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192090,6.08
+CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191857,6.0
+O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL195308,6.41
+COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL373099,6.09
+CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194393,6.1
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF,CHEMBL436122,6.1
+CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL192464,5.89
+CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL363576,6.1
+O=C(NC1CCCC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194990,6.24
+CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL194987,6.25
+O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1,CHEMBL195110,6.17
+O=C(NC1CC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL191701,6.07
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1,CHEMBL364215,5.74
+NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL390130,5.72
+NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186083,5.925
+NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1,CHEMBL186289,5.85
+O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1,CHEMBL186074,5.85
+CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C,CHEMBL415165,9.64
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+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O,CHEMBL213566,6.33
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL384176,8.15
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+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL214410,7.77
+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCNC(=N)N)C1=O,CHEMBL385000,8.96
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+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(=N)N)C1=O,CHEMBL378837,7.12
+COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1,CHEMBL377231,6.49
+Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1,CHEMBL213122,5.89
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL213380,5.85
+CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1,CHEMBL215659,6.1
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+CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233135,6.4
+COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL392092,6.27
+CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233372,5.35
+CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1,CHEMBL233758,6.89
+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1,CHEMBL236650,6.02
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+CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL236940,6.19
+CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL236014,6.35
+NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235617,4.62
+NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235616,4.6
+NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL235382,4.52
+NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1,CHEMBL393553,4.54
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1,CHEMBL394669,4.6
+NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL235162,4.24
+NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1,CHEMBL236226,4.35
+N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1,CHEMBL238369,4.23
+NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL393552,4.57
+NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238368,4.48
+N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238367,4.3
+N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL238159,5.0
+NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1,CHEMBL238158,4.51
+N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL429269,4.0
+NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398980,4.28
+NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1,CHEMBL398777,4.11
+N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL268395,4.21
+NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL237930,4.36
+NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL236645,4.4
+NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL392521,4.35
+NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1,CHEMBL236443,4.77
+N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236442,4.64
+N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393350,4.72
+N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL236020,4.955
+N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235802,4.3
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238149,5.12
+N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235798,4.28
+N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL235147,4.19
+N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL238353,4.24
+COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC,CHEMBL394075,5.27
+COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC,CHEMBL394074,5.09
+NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL238144,4.8
+N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237920,4.35
+NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237919,4.925
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1,CHEMBL237702,4.503
+C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL235582,4.628
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL394073,4.19
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235359,4.28
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL237698,4.57
+NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL399811,4.6
+N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL237689,4.6
+N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL399810,4.81
+NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL413982,4.64
+NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235358,4.62
+COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL396111,5.08
+COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL397550,4.61
+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL236626,4.59
+NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235140,4.66
+NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL235139,4.55
+COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL236002,4.03
+COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL397324,4.85
+COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL238345,4.36
+COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br,CHEMBL429983,5.03
+NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL393753,4.41
+COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1,CHEMBL237502,4.64
+NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237714,4.1
+Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL394646,4.11
+Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1,CHEMBL237291,4.66
+COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL445669,4.34
+COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1,CHEMBL393994,4.85
+NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1,CHEMBL394394,4.26
+NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1,CHEMBL237070,4.7
+CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC,CHEMBL235589,4.59
+CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC,CHEMBL429451,4.8
+COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL235176,4.64
+COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC,CHEMBL237069,4.66
+NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL236649,4.62
+NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236640,4.55
+NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL410179,4.38
+CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL392316,4.34
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236638,4.44
+NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL392315,4.37
+C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1,CHEMBL236847,4.57
+NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL393919,4.59
+NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1,CHEMBL235356,5.43
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CHEMBL393383,4.37
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL235138,4.33
+NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL235137,4.82
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1,CHEMBL235136,4.74
+NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1,CHEMBL238342,4.41
+NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1,CHEMBL238341,4.39
+CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1,CHEMBL391707,4.48
+C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL238135,4.66
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12,CHEMBL238134,4.57
+NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL391706,5.27
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237912,4.44
+NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL237911,4.57
+NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL237910,4.57
+NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL391705,5.27
+NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237694,4.42
+NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1,CHEMBL237693,4.85
+CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237692,4.92
+NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL393558,4.89
+NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3,CHEMBL237483,4.6
+NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL393557,4.21
+NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237052,4.33
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237051,4.7
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393359,4.24
+NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236842,4.3
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12,CHEMBL236841,4.8
+NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL438334,4.42
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL236840,4.52
+NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL236630,4.49
+NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL392096,4.17
+COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL392094,4.72
+CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12,CHEMBL236003,4.42
+NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237687,4.2
+NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12,CHEMBL393125,4.72
+NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL396341,4.35
+NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL235627,4.32
+NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL393755,4.43
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1,CHEMBL394647,4.2
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL235815,5.04
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL396303,4.36
+C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12,CHEMBL391823,4.62
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL237937,5.13
+NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237935,4.74
+NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1,CHEMBL392223,4.48
+NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,CHEMBL399624,4.77
+NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL393918,4.19
+NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL438672,4.68
+NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237743,5.24
+NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237530,4.52
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+NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL237315,4.59
+NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL237314,4.2
+NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1,CHEMBL237094,5.77
+NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1,CHEMBL396638,5.68
+NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1,CHEMBL428903,5.57
+NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL396598,4.31
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+NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1,CHEMBL237079,4.8
+NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12,CHEMBL428022,4.19
+NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12,CHEMBL237719,4.29
+CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236450,4.96
+NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12,CHEMBL236447,4.17
+NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1,CHEMBL236803,4.92
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+CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1,CHEMBL397580,5.96
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+CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL266647,6.15
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+N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,CHEMBL253364,8.23
+N=C(N)NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL258295,5.46
+N=C(N)NCCC[C@H](CC1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL257040,5.04
+N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1,CHEMBL403722,5.35
+N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1,CHEMBL272099,5.64
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+CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454900,5.51
+CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL511826,5.51
+CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1,CHEMBL471340,5.6
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL513404,5.77
+CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1,CHEMBL460942,5.64
+CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1,CHEMBL454916,5.51
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+CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O,CHEMBL445009,5.06
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+CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL460349,6.02
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1,CHEMBL460138,6.14
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1,CHEMBL446757,7.1
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1,CHEMBL506762,6.9
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1,CHEMBL448410,6.81
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1,CHEMBL442829,6.78
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC,CHEMBL504349,6.68
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC,CHEMBL452710,6.55
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1,CHEMBL450236,6.33
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1,CHEMBL447117,6.42
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1,CHEMBL451694,6.36
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N,CHEMBL453734,6.49
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1,CHEMBL448337,6.67
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1,CHEMBL463047,6.84
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1,CHEMBL449131,6.51
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1,CHEMBL453300,6.37
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1,CHEMBL506272,6.89
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC,CHEMBL449050,6.77
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C,CHEMBL507876,6.08
+CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O,CHEMBL466380,6.7
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL467771,6.24
+CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL498150,6.42
+CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL467588,6.35
+COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1,CHEMBL467587,6.66
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467586,6.8
+CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C,CHEMBL525177,6.7
+CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,CHEMBL497746,6.31
+CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C,CHEMBL467772,6.72
+COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3,CHEMBL1682208,5.34
+COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O,CHEMBL1682209,5.93
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL296419,4.87
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,CHEMBL633,4.97
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL808,4.5
+CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,CHEMBL407135,6.77
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CHEMBL71,4.67
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL91,4.79
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS,CHEMBL1221512,5.53
+Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,CHEMBL141343,4.82
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,4.76
+CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,CHEMBL2070241,7.28
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070242,7.35
+CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070243,8.6
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070244,7.66
+CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070245,8.7
+CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070246,8.09
+CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070247,7.17
+CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070248,8.1
+CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070249,7.38
+CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070250,6.92
+CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070251,7.57
+CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070252,7.89
+CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2069317,7.96
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070253,5.8
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070254,5.96
+CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070373,6.35
+CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O,CHEMBL2070374,7.15
diff --git a/chembl_200/CHEMBL4708.csv b/chembl_200/CHEMBL4708.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c58a4a5d516c21a50a81d4c83d12639ebe8258ae
--- /dev/null
+++ b/chembl_200/CHEMBL4708.csv
@@ -0,0 +1,346 @@
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.7
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,6.7
+Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,CHEMBL101253,5.2
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,6.7
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,6.2
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.5
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.4
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.3
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,6.2
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.0
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.4
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.9
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.5
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.7
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,7.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,5.5
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,8.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.7
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,7.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.7
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.3
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.5
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.4
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.7
+N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,CHEMBL1980802,6.1
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.9
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.1
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.5
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.3
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.3
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.2
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.2
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.4
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,5.9
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.2
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.0
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,6.0
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,6.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.2
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,5.1
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,6.3
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.0
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.3
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.6
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.1
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.3
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.4
+O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,5.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.3
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.6
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.4
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.9
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.9
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.3
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.2
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,7.3
+CC(N)C1CCC(C(=O)Nc2ccncc2)CC1,CHEMBL1994526,5.1
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.1
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.9
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,6.4
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.6
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,5.7
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.6
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.8
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.8
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.2
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.4
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.4
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.3
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.3
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.9
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,7.0
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.4
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.4
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.8
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.4
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.6
+CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL523823,6.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.6
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.4
+Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,7.4
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.9
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.2
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.0
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.9
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.1
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.5
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.1
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.1
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.5
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.0
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,7.5
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.3
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,5.7
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.6
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.3
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,5.8
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,5.9
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,5.7
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,5.5
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,7.9
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,7.3
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,7.5
+O=c1[nH]cc(I)c2nc(-c3ccccc3)cn12,CHEMBL2001668,5.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.1
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,5.1
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.0
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.7
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.3
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.5
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.4
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,6.1
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,5.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.5
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.1
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.25
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.1
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.8
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.3
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,6.8
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.6
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.8
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.4
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.4
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.3
+c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)cc1,CHEMBL1998953,6.9
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.3
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.1
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1,CHEMBL1979855,5.8
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.2
+CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccccc3n2)c1,CHEMBL2005186,5.6
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.4
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.3
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.8
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,7.5
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,8.8
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.1
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,6.1
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,6.6
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.5
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.6
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.2
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,7.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.2
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.7
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.0
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.2
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,5.2
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.4
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.4
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.1
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.9
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.4
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.4
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.1
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,5.4
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.9
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.8
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.1
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.3
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.3
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.4
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.2
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,6.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,6.2
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.5
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.6
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.4
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,6.3
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.0
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.5
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.1
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.3
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,5.3
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.1
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.8
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.9
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.8
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.5
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.8
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.9
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.0
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.6
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.6
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,7.2
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.7
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.7
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.1
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.6
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.5
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.3
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,7.6
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,7.2
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,5.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.1
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.0
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.3
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.6
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.5
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.7
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.4
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.3
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,5.8
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,5.6
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.7
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.3
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,6.3
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.9
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.5
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.2
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.2
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.7
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.5
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,6.6
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.6
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.2
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.6
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.3
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,5.5
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,7.3
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.7
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.2
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,CHEMBL373598,7.3
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,7.0
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,5.8
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.6
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,7.0
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,6.8
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.2
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.8
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.3
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.3
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,5.3
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.4
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,6.6
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.4
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,6.1
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.2
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,6.7
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,7.1
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,8.1
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.2
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.7
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.8
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.9
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,6.2
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.7
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.3
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.5
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.1
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.6
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,5.8
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,5.3
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.2
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.2
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.3
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.1
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.6
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.8
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.3
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,5.1
+N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,CHEMBL223257,6.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.9
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.7
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,7.6
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,5.7
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,6.0
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,5.1
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.9
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.2
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,7.0
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.4
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.6
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.5
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,6.3
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.4
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.5
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.0
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.4
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.6
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,6.3
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,5.54
diff --git a/chembl_200/CHEMBL4722.csv b/chembl_200/CHEMBL4722.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9555d2acc1412377240f48956e2fbf565866662a
--- /dev/null
+++ b/chembl_200/CHEMBL4722.csv
@@ -0,0 +1,541 @@
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,6.4
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(C(F)(F)F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1,CHEMBL405120,7.89
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL385049,7.03
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO,CHEMBL214940,7.41
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1,CHEMBL386310,7.26
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1,CHEMBL214842,6.66
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1,CHEMBL384054,6.55
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL424899,6.96
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO,CHEMBL386253,6.16
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO,CHEMBL214601,7.19
+CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC,CHEMBL215275,6.72
+CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC,CHEMBL217804,6.66
+CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC,CHEMBL214848,6.44
+CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC,CHEMBL214849,7.06
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C,CHEMBL216053,7.74
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1,CHEMBL215322,6.8
+CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1,CHEMBL214637,6.46
+O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)[nH]n1)Nc1cccc(F)c1F,CHEMBL215022,6.02
+CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215495,6.01
+O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)[nH]n1)Nc1cccc(F)c1,CHEMBL215203,5.85
+COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)nncc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL254974,6.47
+O=C(Cn1cc(Nc2nncc3cc(OCCCN4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1,CHEMBL253967,5.52
+CCN(CCO)CCCOc1cc2cnnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC,CHEMBL401656,5.96
+COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)nncc2cc1OCCCN1CCC[C@@H]1CO,CHEMBL429126,5.89
+CCN(CCO)CCCOc1cc2cnnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC,CHEMBL404742,6.27
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,7.6
+FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1,CHEMBL493169,6.1
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,9.3
+Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL359482,7.24
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL484950,8.4
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCCCC3)n2)cc1,CHEMBL484951,8.8
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCOCC3)n2)cc1,CHEMBL482778,8.77
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCNCC3)n2)cc1,CHEMBL482779,8.43
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)cc1,CHEMBL484609,8.8
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C(C)(C)C)CC3)n2)cc1,CHEMBL484006,8.89
+Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)[nH]n1,CHEMBL549536,7.09
+Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL552038,7.62
+Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)[nH]n1,CHEMBL550825,7.77
+Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL565205,7.44
+Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1,CHEMBL549322,7.7
+Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1,CHEMBL562415,8.3
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1,CHEMBL562416,8.4
+Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1,CHEMBL562157,8.22
+Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1,CHEMBL564459,8.52
+Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1,CHEMBL551633,8.7
+Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1,CHEMBL561834,8.3
+Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1,CHEMBL552385,8.7
+COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1,CHEMBL551634,7.62
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL552500,8.05
+COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC,CHEMBL564290,7.77
+Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1,CHEMBL559900,9.0
+Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1,CHEMBL552033,8.7
+Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1,CHEMBL556460,8.05
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,CHEMBL564941,9.0
+CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1,CHEMBL560158,7.62
+CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL549469,7.07
+CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL562497,7.74
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1,CHEMBL557279,8.62
+CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1,CHEMBL560556,8.29
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C3CC3)n2)cc1,CHEMBL561617,8.41
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C(C)(C)C)n2)cc1,CHEMBL565183,8.0
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3cccnc3)n2)cc1,CHEMBL557682,8.41
+CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCC3)n2)cc1,CHEMBL563682,8.62
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,5.8
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.2
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.3
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.1
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL565459,7.82
+Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL571038,5.81
+Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,CHEMBL584754,6.07
+CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,CHEMBL572361,5.84
+Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL572162,6.8
+Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,CHEMBL570366,7.0
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1,CHEMBL570367,6.57
+Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL577193,7.72
+Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,CHEMBL565460,7.35
+Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,CHEMBL571031,6.4
+Cc1cnc(Nc2cccc(C)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL572157,6.36
+Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL582829,6.39
+Cc1cc(Cl)ccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,CHEMBL568483,6.39
+Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL583042,6.27
+Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL576048,6.27
+CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,CHEMBL571056,6.14
+Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL568937,6.26
+Cc1cnc(Nc2cccc3c2CCCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL570111,6.55
+Cc1cnc(Nc2cccc3c2OCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL571484,7.82
+Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,CHEMBL571722,7.96
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,5.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.0
+CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1,CHEMBL1090479,6.31
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1,CHEMBL1083484,8.04
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1,CHEMBL1083786,8.09
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1083785,7.92
+CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(N)nc4C)n3)cc2)CC1,CHEMBL1084969,8.12
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084630,7.85
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1084629,7.72
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1,CHEMBL1085626,8.4
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1,CHEMBL1084715,8.3
+CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1086088,8.52
+CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1,CHEMBL1083152,9.0
+COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC,CHEMBL1083151,9.4
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N)cc3)n2)s1,CHEMBL1084454,7.51
+CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1,CHEMBL1083150,7.74
+Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1,CHEMBL46817,8.16
+Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,CHEMBL298445,7.14
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.0
+Cc1cc(Nc2cc(N3CCN(CC(=O)O)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL1213077,7.7
+Cc1cc(Nc2cc(-c3ccccc3)c(C#N)c(Sc3ccc(NC(=O)C(C)C)cc3)n2)[nH]n1,CHEMBL1780256,6.51
+CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1,CHEMBL1780257,8.28
+Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)[nH]n1,CHEMBL1778662,8.92
+Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)[nH]n1,CHEMBL1778663,9.23
+Cc1cc(Nc2cc(C)c(C#N)c(N[C@H](C)CCCC(C)(C)O)n2)[nH]n1,CHEMBL1778664,7.18
+CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N,CHEMBL1780258,8.42
+Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1,CHEMBL1777841,8.07
+Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1,CHEMBL1777842,7.55
+Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1,CHEMBL1777839,7.7
+Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1,CHEMBL1777840,8.35
+Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1,CHEMBL1778660,8.01
+Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1,CHEMBL1778661,8.64
+Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1,CHEMBL1835742,5.7
+COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1,CHEMBL1835745,5.59
+COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1,CHEMBL1835746,5.68
+COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC,CHEMBL1835740,6.99
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.9
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.3
+CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC1=O,CHEMBL1950043,4.535
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.6
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.4
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1ccccc1F,CHEMBL1988038,6.1
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,8.8
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,8.2
+c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,CHEMBL578061,7.0
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.1
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,6.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.4
+CN(C)C(=O)C=Cc1ccc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2c(N)[nH]nc12,CHEMBL1972472,7.4
+Cc1ccc(-c2c(C#N)c(N)nc3cc(C)nn23)cc1,CHEMBL1968565,6.3
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nnc[nH]3)cc12,CHEMBL1979718,5.4
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.1
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.0
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.4
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.8
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.3
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.8
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,8.1
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.6
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,7.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.6
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,6.0
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,6.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL507936,5.7
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,6.0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,5.2
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,7.3
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,6.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.5
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.5
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL1964307,6.3
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.9
+CCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL2005800,5.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,6.3
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,8.7
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.7
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.8
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Br)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1972851,8.4
+Cc1ccc(NC(=O)Nc2ccc(-c3c(Cc4cccnc4)sc4ncnc(N)c34)cc2)cc1,CHEMBL1983846,7.2
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,6.95
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,7.3
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.0
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,5.6
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,7.8
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,7.9
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,6.5
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,5.9
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,7.4
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.6
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1CC3,CHEMBL1985523,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,8.3
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,7.5
+Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1,CHEMBL2003604,6.9
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.8
+O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,6.1
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,7.4
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,7.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.9
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,7.8
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,7.0
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,6.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.9
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,6.8
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.6
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,8.0
+CC1(C)CC(C=Cc2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21,CHEMBL1987334,7.0
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,6.3
+Nc1ccc(-c2csc3ccnc(N)c23)cc1,CHEMBL231153,5.9
+Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1,CHEMBL1991143,6.3
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.8
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.4
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.3
+CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1966411,5.9
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,5.0
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,8.5
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,6.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)nc12,CHEMBL1992527,6.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,7.1
+Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12,CHEMBL1997623,6.3
+Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1,CHEMBL1978973,7.1
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,7.0
+Cc1ccc(C)c(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL2000137,6.6
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,CHEMBL1992644,5.2
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL1992645,6.7
+COc1cc(-c2ccc3c(c2)Nc2cc(OCCCCO)c(OC)cc2NC3=O)ccc1O,CHEMBL2000746,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,8.2
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,4.2
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.8
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,7.4
+COc1cc(Nc2ncc(C(F)(F)F)c(N)n2)cc(OC)c1OC,CHEMBL1998724,6.7
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.3
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.2
+COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1,CHEMBL1979749,7.3
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.6
+O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c1)c1c(F)cccc1F,CHEMBL1969834,6.7
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.9
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.4
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,6.4
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.5
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,6.4
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.3
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.4
+N=C(NO)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1996539,6.2
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,7.1
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+Cc1cccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)c1,CHEMBL243517,8.2
+O=C(O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F,CHEMBL244793,8.6
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(F)c1,CHEMBL1987658,6.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,6.7
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.1
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,CHEMBL1976328,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,6.5
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.8
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,7.4
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,7.6
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,CHEMBL1978167,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,7.2
+c1ccc(Cc2cc(-c3ccc4n[nH]cc4c3)on2)cc1,CHEMBL1682357,6.3
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.3
+Cc1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)c(C)c1,CHEMBL1984432,6.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,6.4
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.4
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,7.4
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.8
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,6.6
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1,CHEMBL1971947,6.7
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,8.4
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,6.3
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.8
+O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(O)c2)o1,CHEMBL496412,6.9
+CN(C)c1ncnc2n[nH]cc12,CHEMBL1969787,4.9
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.1
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.0
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.4
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2)c1,CHEMBL1982837,7.4
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,5.9
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,5.1
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,6.4
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.3
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,7.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.0
+Cc1cc(=O)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,CHEMBL1985042,4.3
+NC(=O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1987815,4.2
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,6.2
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.8
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.6
+CN(C)c1ncnc2nc[nH]c12,CHEMBL407391,5.4
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,7.3
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.3
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.7
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.1
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.4
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.9
+CCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1990228,8.1
+CCOC(=O)C(C(N)=O)C(=S)Nc1ccc(C)cc1,CHEMBL1984131,7.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,7.5
+Nc1ccc(S(=O)(=O)O)c2cccc(O)c12,CHEMBL1618860,7.1
+c1cc2n[nH]cc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,7.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,7.7
+Nc1[nH]nc2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,6.0
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.5
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,7.0
+Cc1cc(C(N)=O)n2nc(C(C)(C)C)cc2n1,CHEMBL1986684,4.3
+ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,CHEMBL546797,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,7.4
+Nc1nc(=O)[nH]c2sccc12,CHEMBL2007097,4.5
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.9
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,6.2
+CCc1cccc(NC(=O)Nc2ccc(-c3c(C)oc4ncnc(N)c34)cc2)c1,CHEMBL1979528,6.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccc(NC(=O)CCCN(C)C)cc5)cnc(N)c34)cc2)c1,CHEMBL1986367,7.3
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,9.2
+Fc1ccc2c(c1)-c1n[nH]cc1CS2,CHEMBL1989069,5.3
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)ccc5o4)c(F)c3)c3c(N)ncnc32)CC1,CHEMBL2001535,7.4
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.7
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4n[nH]c(N)c34)cc2)c1,CHEMBL1993073,6.9
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.8
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,6.5
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.3
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.3
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.7
+N=C(NO)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1,CHEMBL1968271,6.0
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,6.3
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,6.7
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.7
+COc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1O,CHEMBL1964519,7.7
+Nc1ccc2c(C(=O)O)n(-c3ccccc3)nc2c1,CHEMBL1974574,5.9
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,5.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,8.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,6.0
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.9
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.8
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,7.0
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.1
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,CHEMBL413779,6.3
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.1
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.0
+NC(=O)c1cccc2[nH]c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)nc12,CHEMBL2001099,6.3
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,7.3
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.8
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.2
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,6.7
+Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1,CHEMBL1995068,7.1
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.8
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,7.3
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,6.4
+Cc1ccc(NC(=O)Nc2ccc(-c3c(C(C)C)sc4ncnc(N)c34)cc2)cc1,CHEMBL1989505,7.1
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,7.6
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.0
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,6.6
+CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1,CHEMBL2001998,6.2
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,7.6
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]cc34)cc2)c1,CHEMBL375284,5.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,8.7
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.6
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,8.0
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.6
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.6
+Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,CHEMBL1997193,5.8
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,6.4
+CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL1972362,5.5
+CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cn2)CC1,CHEMBL2003948,5.9
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.2
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,7.6
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.6
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,8.0
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.9
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.6
+CCS(=O)(=O)c1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)c(OC)cc3-4)cc2)cc1,CHEMBL1992195,6.1
+c1ccc2c(c1)[nH]c1cnccc12,CHEMBL275224,4.8
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,6.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1,CHEMBL243297,7.5
+COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1970879,6.7
+Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,CHEMBL1989856,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,7.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.2
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.3
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.4
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,8.8
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.4
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.9
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.4
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,7.4
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.6
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,7.2
+Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1C,CHEMBL1974408,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.5
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,7.2
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.8
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,6.8
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,6.0
+O=C1Nc2ccccc2Nc2nnccc21,CHEMBL1971801,5.7
+O=C1Nc2ccccc2Nc2nnc(Cl)cc21,CHEMBL1968850,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,6.9
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,6.2
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.4
+Cc1[nH]nc2c1c(=O)n(C)c1ccccc21,CHEMBL1981183,6.0
+CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12,CHEMBL1992073,5.9
+Nc1ncnc2sccc12,CHEMBL1972934,4.7
+c1ccc(Cc2cn(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682341,5.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,8.2
+C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL1972250,6.1
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,8.0
+O=C(Nc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL1993510,6.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.2
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.5
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,7.1
+CCNNc1cc(C)c(C#N)c2nc3ccccc3n12,CHEMBL2000433,5.3
+CS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1985433,6.4
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,7.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,7.7
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.2
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,6.6
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.9
+O=C1NC(=O)C(Nc2ccccc2)=C1Cl,CHEMBL2007138,4.8
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,8.6
+COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1983006,5.5
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.7
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.8
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.8
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.1
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.5
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.0
+CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1,CHEMBL1970534,6.1
+O=C(Nc1ccccc1)Nc1nccs1,CHEMBL1487428,4.8
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,8.1
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.6
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,7.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1CC#N,CHEMBL1985566,5.4
+CC(C)CC(CO)NC(=O)C=Cc1cnc(N)c2ccccc12,CHEMBL1969284,5.8
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,7.7
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,CHEMBL2004355,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1980142,5.9
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,8.0
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.9
+O=C(O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1996390,6.0
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.7
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,6.2
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCc4ccccc4)cc[nH]c3=O)nc12,CHEMBL2005714,6.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.8
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,5.4
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.3
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.5
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,7.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,8.1
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.0
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.7
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,7.0
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,7.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,5.3
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1987054,8.1
+Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,7.0
+CCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2,CHEMBL1977652,6.2
+CC(Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(F)cc1,CHEMBL1976530,5.9
+O=C(O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F,CHEMBL243749,8.3
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,8.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,6.3
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.1
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.8
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,5.3
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.6
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.4
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.2
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.7
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.8
+Cc1cc(N=Cc2ccc(O)c(O)c2)c2ccccc2n1,CHEMBL1991915,7.6
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)cc(C)c5o4)c(F)c3)c3c(N)ncnc32)CC1,CHEMBL1988769,6.9
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,7.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.9
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,5.9
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.5
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.8
+COc1cc(Nc2ncc(C(F)(F)F)c(OC)n2)cc(OC)c1OC,CHEMBL1993966,7.3
+CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,CHEMBL1969264,5.7
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,CHEMBL1973711,5.6
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,8.5
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,8.7
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,6.3
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,6.2
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,8.2
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,6.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.9
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.7
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.7
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O,CHEMBL487402,6.0
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.9
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.7
+c1ccc2c(c1)nnn2Cc1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1966069,5.5
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,6.5
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.9
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,8.3
+Nc1nccc(-c2ccccc2)n1,CHEMBL1834385,4.8
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,7.6
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@H](c3ccccc3)C3CCNCC3)c2)C1,CHEMBL3298373,7.72
+N#Cc1cccc(Cn2cc(NC(=O)c3[nH]nc4cc(-c5cn[nH]c5)ccc34)cn2)c1,CHEMBL3263036,7.14
+CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2[nH]nc3c2CCC(C)(C)C3)cn1,CHEMBL3298372,6.77
+O=C(Nc1cnn(Cc2ccccc2)c1)c1[nH]nc2c1CCC1(CC1)C2,CHEMBL3298291,6.74
+N#Cc1cccc(Cn2cc(NC(=O)c3[nH]nc4c3CC(c3cn[nH]c3)CC4)cn2)c1,CHEMBL3298286,6.67
+CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2[nH]nc3c2CCC(C)(C)C3)cn1,CHEMBL3298370,6.68
+CN(C)CC[C@@H](c1cccc(Cl)c1)n1cc(NC(=O)c2[nH]nc3c2CCC(C)(C)C3)cn1,CHEMBL3298376,6.54
+CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2[nH]nc3c2CCC(C)(C)C3)cn1,CHEMBL3298371,6.34
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn(Cc3ccccc3)c2)C1,CHEMBL3298288,6.32
+Cc1cccc([C@H](CCN(C)C)n2cc(NC(=O)c3[nH]nc4c3CCC(C)(C)C4)cn2)c1,CHEMBL3298375,6.3
+CC1CCc2c(n[nH]c2C(=O)Nc2cnn(Cc3ccccc3)c2)C1,CHEMBL3298287,6.12
+N#Cc1cccc(Cn2cc(NC(=O)c3[nH]nc4c3CCCC4)cn2)c1,CHEMBL3298285,6.11
+N#Cc1cccc(Cn2cc(NC(=O)c3[nH]nc4ccccc34)cn2)c1,CHEMBL3262780,6.06
+O=C(Nc1cnn(Cc2ccccc2)c1)c1[nH]nc2c1CC1CC1C2,CHEMBL3298368,5.88
+O=C(Nc1cnn(Cc2ccccc2)c1)c1[nH]nc2c1CCC(F)(F)C2,CHEMBL3298290,6.02
+CC1(C)CCc2n[nH]c(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1,CHEMBL3298289,5.77
+CC1(C)CCc2c(n[nH]c2C(=O)Nc2cnn([C@@H](CCS(C)(=O)=O)c3ccccc3)c2)C1,CHEMBL3298374,5.68
+O=C(Nc1cnn(Cc2ccccc2)c1)c1[nH]nc2c1CCC1(COC1)C2,CHEMBL3298366,5.54
+CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2[nH]nc3cc(-c4cn[nH]c4)ccc23)cn1,CHEMBL3263053,7.82
+CCN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CC3)n[nH]2)n1,CHEMBL3580976,8.28
+CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CC3)n[nH]2)n1,CHEMBL3580975,8.52
+Clc1c(CNc2nccc(Nc3cc(C4CCCO4)n[nH]3)n2)ccc2nc[nH]c12,CHEMBL3593823,7.6
+CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(Nc2cc(C3CCC(=O)C3)n[nH]2)n1,CHEMBL3593824,7.77
+COCC(C)c1cc(Nc2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)n2)[nH]n1,CHEMBL3593825,6.88
+CC(=O)N(C)Cc1cc(Nc2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)n2)[nH]n1,CHEMBL3594173,6.05
+CN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)[nH]n2)C1=O,CHEMBL3594177,5.46
diff --git a/chembl_200/CHEMBL4777.csv b/chembl_200/CHEMBL4777.csv
new file mode 100644
index 0000000000000000000000000000000000000000..42e7b552ef78dc509575c781ee0f8fee1d72e9ec
--- /dev/null
+++ b/chembl_200/CHEMBL4777.csv
@@ -0,0 +1,440 @@
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL413455,8.64
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC,CHEMBL413426,8.32
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL410166,9.34
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL411117,9.57
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O,CHEMBL429531,9.28
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC,CHEMBL386823,8.3
+CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O,CHEMBL2110365,10.15
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC,CHEMBL265391,7.46
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC,CHEMBL438914,7.59
+CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C,CHEMBL269267,6.93
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1,CHEMBL324554,8.48
+N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL44246,8.34
+CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1,CHEMBL343399,6.72
+CN(C)C1CCN(CCc2c(C(=O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL359174,5.25
+CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1,CHEMBL145726,6.35
+CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL142495,6.18
+CC(CN1CCC(N(C)C)CC1)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12,CHEMBL343313,6.16
+CN(C)C1CCN(CCc2c(CNc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL145501,5.77
+CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1,CHEMBL144262,6.8
+COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL357914,7.96
+CN(C)C1CCN(CCc2c(C(C)(C)Oc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL357010,4.92
+CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1,CHEMBL436213,6.42
+CN(C)C1CCN(CCc2c(/C=N/Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL145392,5.35
+Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C(C)(C)C)c1,CHEMBL141879,5.55
+CN(C)C1CCN(CCc2c(-c3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL359192,5.19
+CN(C)C1CCN(CCc2c(COc3ccc(-c4ccccc4)cc3)sc3ccccc23)CC1,CHEMBL145061,5.43
+Cc1cc(C)c(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1,CHEMBL145289,5.62
+C=CCc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL356118,6.01
+CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1,CHEMBL422297,5.56
+CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1,CHEMBL141442,6.35
+CN(C)C1CCN(CCc2c(CCOc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL146606,5.55
+CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL341908,5.61
+CN(C)C1CCN(CCc2c(C(O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL142603,5.42
+Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1,CHEMBL142796,4.95
+Clc1ccc(OCc2sc3ccccc3c2CCN2CCCCC2)cc1,CHEMBL143068,5.72
+Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)cc1,CHEMBL344338,6.43
+CN(C)C1CCN(CCc2c(C(=O)Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL145243,5.64
+Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1,CHEMBL422655,5.59
+CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1,CHEMBL143014,6.51
+CN(C)C1CCN(CCc2c(COc3ccc(C(F)(F)F)cc3)sc3ccccc23)CC1,CHEMBL145510,6.13
+CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1,CHEMBL142584,6.92
+CN(C)C1CCN(CCc2c(COc3ccc(C#N)cc3Br)sc3ccccc23)CC1,CHEMBL358111,6.42
+CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1,CHEMBL145078,6.76
+CN(C)C1CCN(CCc2c(/C=C/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL422294,4.91
+CN(C)C1CCN(CCc2c(Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL357184,5.38
+CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1,CHEMBL342751,6.14
+CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1,CHEMBL142292,4.06
+Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(Br)c1,CHEMBL145205,7.11
+CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1,CHEMBL144935,7.89
+CN(C)C1CCN(CCc2c(C#Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL145161,5.1
+CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1,CHEMBL344101,5.44
+Cc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL142561,6.38
+Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1,CHEMBL423012,6.92
+CN(C)C1CCN(CCc2c(/C=N/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1,CHEMBL343413,4.9
+Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL145693,6.38
+CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL359207,5.77
+CN(C)C1CCN(CCc2c(C(Oc3ccc(Cl)cc3Cl)c3ccccc3)sc3ccccc23)CC1,CHEMBL145686,5.24
+CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1,CHEMBL145248,5.9
+COC(c1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1,CHEMBL145808,5.4
+O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12,CHEMBL329536,8.993
+c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCC3CCCCC3)CC2)cc1,CHEMBL156076,9.55
+c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CC3CCCCC3)CC2)cc1,CHEMBL348119,9.41
+CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL348123,9.54
+c1ccc(CCCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1,CHEMBL346242,9.44
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1,CHEMBL145714,8.35
+C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL434467,9.15
+O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCCC2CCCNC2)c2ccccc12,CHEMBL157661,9.12
+c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCNCC2)cc1,CHEMBL265752,8.35
+CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL159220,9.08
+c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCCN3CCCCC3)CC2)cc1,CHEMBL155802,9.97
+Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1,CHEMBL349328,10.28
+CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL158392,8.79
+C(=C\c1ccccc1)\CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL346243,9.74
+C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL347804,8.79
+CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1,CHEMBL155925,8.79
+Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1,CHEMBL350917,9.5
+O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1,CHEMBL439643,9.88
+Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL61532,8.747
+O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1,CHEMBL347807,9.95
+c1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1,CHEMBL345581,9.72
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL338296,6.98
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(C3CCCCC3)CC2)c1,CHEMBL420514,8.02
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3O)CC2)c1,CHEMBL124335,6.97
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1,CHEMBL124150,6.39
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL196546,5.93
+CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL339255,6.0
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCCCC2)c1,CHEMBL337939,6.28
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL124152,7.92
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,CHEMBL340208,6.49
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1,CHEMBL125807,8.0
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3C)CC2)c1,CHEMBL127962,7.02
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1,CHEMBL341329,7.05
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3OC)CC2)c1,CHEMBL31913,8.39
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1,CHEMBL271525,7.08
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(-c4ccccc4)c3)CC2)c1,CHEMBL340824,6.73
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(C)cc3)CC2)c1,CHEMBL124151,6.3
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(O)c3)CC2)c1,CHEMBL126618,8.57
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)c1,CHEMBL124275,7.18
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3cccc(O)c3)CC2)c1,CHEMBL124061,7.43
+COC(=O)C1=C(C)NC(C)=C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,CHEMBL124953,6.16
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,CHEMBL340209,6.17
+N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2,CHEMBL2112936,5.38
+O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@H]2CCCNC2)c2ccccc12,CHEMBL331937,8.85
+Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21,CHEMBL421549,5.64
+Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21,CHEMBL331202,6.36
+Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21,CHEMBL122841,7.03
+Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(N3CCCCC3)CC2)c2ccccc21,CHEMBL123413,6.25
+Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21,CHEMBL121799,8.34
+O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12,CHEMBL340369,8.72
+Clc1ccc(OCc2c(CN3CCC(N4CCCCC4)CC3)c3ccccc3n2CCN2CCCCC2)cc1,CHEMBL121636,7.01
+Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21,CHEMBL124343,7.59
+Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc21,CHEMBL123410,5.9
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL441204,7.02
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL2110196,6.84
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL429071,7.31
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL410780,7.03
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL265426,7.36
+CCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL439307,7.44
+Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1,CHEMBL92148,7.39
+Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL93375,7.74
+Clc1ccc(OCc2nc3c(OCCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL328460,6.82
+Clc1ccc(OCc2nc3c(OCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL94292,7.37
+Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1,CHEMBL91738,6.15
+Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1,CHEMBL92685,5.89
+Oc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1,CHEMBL420613,5.28
+Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1,CHEMBL90605,6.01
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1,CHEMBL329224,7.01
+Clc1ccc(OCc2nc3c(OCCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL328541,7.52
+Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1,CHEMBL90574,6.03
+Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1,CHEMBL316291,5.15
+Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1,CHEMBL330066,5.49
+Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL91462,8.15
+Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1,CHEMBL90369,5.92
+Clc1ccc(OCc2nc3c(OCCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL93535,7.8
+Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c12,CHEMBL329786,6.4
+Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1,CHEMBL328532,7.57
+Clc1ccc(OCc2nc3c(OCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1,CHEMBL92679,7.54
+Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1,CHEMBL90717,7.77
+Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1,CHEMBL330703,5.1
+Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1,CHEMBL330223,8.22
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F,CHEMBL51874,4.84
+O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F,CHEMBL51542,4.89
+Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL2113711,4.77
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1,CHEMBL299879,4.8
+O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12,CHEMBL51884,5.45
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1,CHEMBL51138,4.62
+O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1,CHEMBL415926,5.26
+O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12,CHEMBL299295,5.49
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1,CHEMBL301747,4.31
+O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1,CHEMBL48777,5.14
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cnc4ccccc4c3)CCc3ccccc32)c1,CHEMBL88871,6.85
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cccc(F)c3F)CCc3ccccc32)c1,CHEMBL87548,7.0
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(COC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL314520,5.39
+O=C(Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1)NC1CC1,CHEMBL327410,6.04
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(/Nc3ccc(O)cc3)NC(C)C)CCc3ccccc32)c1,CHEMBL313007,7.44
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3)CCc3ccccc32)c1,CHEMBL90497,7.54
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cc(F)cc(F)c3)CCc3ccccc32)c1,CHEMBL438777,7.07
+CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL328000,5.14
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4sccc4c3)CCc3ccccc32)c1,CHEMBL329366,7.89
+CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1,CHEMBL89460,5.15
+CC(C)CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL88141,7.12
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NS(=O)(=O)c3ccccc3)CCc3ccccc32)c1,CHEMBL420426,5.26
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncsc4c3)CCc3ccccc32)c1,CHEMBL89078,8.29
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(OC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL314637,6.35
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4scnc4c3)CCc3ccccc32)c1,CHEMBL84793,7.62
+C/N=C(/Nc1ccc(O)cc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O,CHEMBL262904,8.14
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4n[nH]cc4c3)CCc3ccccc32)c1,CHEMBL315299,7.59
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCc3ccccc32)c1,CHEMBL314926,7.06
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCO4)CCc3ccccc32)c1,CHEMBL314529,7.55
+CC(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL84632,6.16
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)CCc3ccccc32)c1,CHEMBL87896,7.15
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCCc3ccccc32)c1,CHEMBL314961,7.25
+C/N=C(/Nc1ccccc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O,CHEMBL330095,7.82
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(\NCCO)Nc3ccc(O)cc3)CCc3ccccc32)c1,CHEMBL85297,7.19
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccncc3)CCc3ccccc32)c1,CHEMBL86775,7.08
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccn3)CCc3ccccc32)c1,CHEMBL313292,6.62
+CC(C)(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL88576,6.85
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CCc3ccccc32)c1,CHEMBL315378,6.11
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(CNC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL314425,5.85
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(O)cc3)CCc3ccccc32)c1,CHEMBL432188,7.09
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Oc3ccccc3)CCc3ccccc32)c1,CHEMBL314169,5.68
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)CCC4)CCc3ccccc32)c1,CHEMBL86433,7.77
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccoc4c3)CCc3ccccc32)c1,CHEMBL86898,8.11
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4[nH]ccc4c3)CCc3ccccc32)c1,CHEMBL432766,7.74
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3F)CCc3ccccc32)c1,CHEMBL316366,8.12
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL88742,7.37
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)COc3ccccc32)c1,CHEMBL329425,6.33
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nncs3)CCc3ccccc32)c1,CHEMBL90560,6.82
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccsc4c3)CCc3ccccc32)c1,CHEMBL314656,8.11
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nc4ccccc4s3)CCc3ccccc32)c1,CHEMBL431994,6.16
+COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1,CHEMBL330574,7.1
+CC(C)NC(=O)Cc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL314662,5.42
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=N)Nc3ccc(O)cc3)CCc3ccccc32)c1,CHEMBL328288,8.54
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncccc4c3)CCc3ccccc32)c1,CHEMBL312841,7.25
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(-c4ccccc4)cc3)CCc3ccccc32)c1,CHEMBL313612,6.21
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)CCc3ccccc32)c1,CHEMBL86952,7.6
+CC(C)(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1,CHEMBL87667,5.92
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N(C)C)cc3)CCc3ccccc32)c1,CHEMBL431990,7.18
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCCO4)CCc3ccccc32)c1,CHEMBL329997,7.74
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ocnc4c3)CCc3ccccc32)c1,CHEMBL314123,7.77
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nccs3)CCc3ccccc32)c1,CHEMBL88450,6.8
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N)cc3)CCc3ccccc32)c1,CHEMBL88805,6.7
+CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3F)CCc3ccccc32)c1,CHEMBL557948,8.11
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC(C)C)CC1,CHEMBL344530,7.96
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)O)CC1,CHEMBL344722,5.66
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCNCC1,CHEMBL344096,6.47
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCc2ccccc2)CC1,CHEMBL344971,7.24
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)N2CCCCC2)CC1,CHEMBL145396,7.68
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCc2ccccc2)CC1,CHEMBL421770,7.54
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1,CHEMBL142720,7.06
+CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,CHEMBL145663,6.37
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C)CC1,CHEMBL442412,7.28
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)O)CC1,CHEMBL146116,5.79
+CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,CHEMBL145761,7.54
+CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,CHEMBL423383,7.54
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCN2CCCCC2)CC1,CHEMBL342112,7.43
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)N2CCCCC2)CC1,CHEMBL145438,6.87
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C(=O)CCN2CCCCC2)CC1,CHEMBL356585,6.59
+Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(Cc2ccccc2)CC1,CHEMBL344952,6.96
+Nc1cc(S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c2cccnc12,CHEMBL52643,7.24
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+COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL563052,5.96
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL562000,7.82
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL552762,6.82
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL561999,8.14
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4)CC3)C(C)(C)C2)cc1,CHEMBL561594,5.52
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCNC4=O)CC3)C(C)(C)C2)cc1,CHEMBL551933,7.35
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCOC4=O)CC3)C(C)(C)C2)cc1,CHEMBL561332,7.38
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4=O)CC3)C(C)(C)C2)cc1,CHEMBL561392,7.74
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(N(C)C(C)=O)CC3)C(C)(C)C2)cc1,CHEMBL561193,7.31
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(NC(C)=O)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL556915,7.32
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(c4nnc(C)s4)CC3)C(C)(C)C2)cc1,CHEMBL560795,6.48
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnc(C)o4)CC3)C(C)(C)C2)cc1,CHEMBL551608,6.92
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnco4)CC3)C(C)(C)C2)cc1,CHEMBL551132,6.05
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(Cl)nc4)CC3)C(C)(C)C2)cc1,CHEMBL551206,7.49
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(OC)nc4)CC3)C(C)(C)C2)cc1,CHEMBL171377,7.62
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4cccnc4)CC3)C(C)(C)C2)cc1,CHEMBL559045,7.54
+COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)C(C)(C)C2)cc1,CHEMBL549851,8.13
+CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,CHEMBL604165,8.51
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL592100,7.2
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL577447,5.35
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC,CHEMBL592149,6.89
+CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL592121,8.15
+CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CHEMBL592104,6.56
+c1ccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc2c1,CHEMBL1081469,6.61
+Cc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12,CHEMBL1079440,5.46
+COc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12,CHEMBL1079441,5.4
+Cc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1076207,5.97
+COc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1079609,5.78
+Fc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1079610,5.95
+Clc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1080617,5.91
+O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1079729,5.28
+CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1,CHEMBL1079730,5.23
+Clc1cc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2cc1Cl,CHEMBL1076234,5.44
+c1ccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc2c1,CHEMBL1082083,6.66
+Cc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1081181,6.21
+COc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1079917,5.9
+Fc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1080100,6.5
+Clc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1080101,6.47
+O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1080102,5.48
+CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1,CHEMBL1079388,5.28
+Clc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl,CHEMBL1076268,6.5
+C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1081732,6.42
+CC[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1081733,6.82
+CCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1080826,6.32
+CCCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1080827,7.16
+CC(C)C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1076276,6.15
+c1ccc([C@@H]2CSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1079927,6.76
+COC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1,CHEMBL1080289,5.59
+CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1080291,7.3
+CC(C)C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1080292,7.28
+CC(C)CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1080300,7.21
+c1ccc(CCC2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1080301,6.71
+c1ccc2sc(NCCc3ccc(NC4=NC(C5CCCCC5)CCS4)cc3)nc2c1,CHEMBL1080302,6.48
+c1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1080660,7.26
+COc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1081711,7.26
+Clc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1081712,6.91
+Clc1cccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)c1,CHEMBL1081713,6.97
+Clc1ccccc1C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1,CHEMBL1081890,6.02
+c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1080298,7.52
+c1ccc([C@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,CHEMBL1080655,6.33
+CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1223986,5.82
+CCCCCCCCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1223987,6.34
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34,CHEMBL1223988,6.57
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4c3C2C(=CC4)C=C1,CHEMBL1223990,7.23
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1,CHEMBL1223991,7.4
+COC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1223992,9.05
+CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1223993,6.96
+COC(=O)CCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1223995,6.59
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CO)nn1,CHEMBL1223996,8.52
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CN)nn1,CHEMBL1223997,8.17
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,CHEMBL1223998,7.39
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)O,CHEMBL1223999,7.14
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(N)=O,CHEMBL1224000,6.89
+N=C(N)NCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1224001,7.29
+COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1,CHEMBL1771266,6.42
+COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1,CHEMBL1771265,7.66
+COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1,CHEMBL1771264,8.3
+COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1,CHEMBL1771263,6.85
+COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1,CHEMBL1771262,8.3
+CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1,CHEMBL1771261,8.1
+CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1,CHEMBL1771260,8.52
+COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1,CHEMBL1771259,9.0
+Cc1cc(NCCNC2CCOCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1,CHEMBL1771258,8.15
+Cc1cc(NCCNC2CCCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1,CHEMBL1771257,7.42
+Cc1cc(C)c(-c2c(C)nn3c(NCCNC4CCCC4)cc(C)nc23)c(C)c1,CHEMBL1771256,7.68
+COc1ccc(CCNCCNc2cc(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn23)cc1,CHEMBL1771255,7.54
+Cc1cc(C)c(-c2c(C)nn3c(NCCN)cc(C)nc23)c(C)c1,CHEMBL1771254,5.64
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774203,7.54
+N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1,CHEMBL1774204,9.6
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCN,CHEMBL1774205,7.72
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCCCCN,CHEMBL1774206,8.37
+N=C(N)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(=O)NCCCCN,CHEMBL1774207,7.42
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1,CHEMBL1774210,7.64
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774211,7.66
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774212,7.42
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCOCCOCCOCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774213,7.01
+Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774214,7.89
+Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774215,6.85
+Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774216,7.3
+Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCOCCOCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774217,7.62
+Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774218,6.82
+Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774219,7.02
+Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774220,6.89
+Cc1cc(/C=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL1774342,6.89
+CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1,CHEMBL1774343,7.38
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+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCc1cn(-c2ccc(N)cc2)nn1,CHEMBL3747224,8.4
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCc1cn(-c2ccccc2)nn1,CHEMBL3746793,8.16
+N#[N+][N-]c1cccc(-n2cc(CNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)c1,CHEMBL3746893,8.51
+CN(Cc1cn(-c2ccccc2)nn1)C(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1,CHEMBL3746492,7.39
+CN(Cc1cn(-c2ccc(-n3cc(CNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)c1ccncc1,CHEMBL3746696,6.4
+N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCCN,CHEMBL3746864,7.66
diff --git a/chembl_200/CHEMBL4792.csv b/chembl_200/CHEMBL4792.csv
new file mode 100644
index 0000000000000000000000000000000000000000..d62c0c840e6cd54ac1388c5f79314013c85fed9e
--- /dev/null
+++ b/chembl_200/CHEMBL4792.csv
@@ -0,0 +1,1491 @@
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1,CHEMBL185424,7.3
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1,CHEMBL184596,7.1
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1,CHEMBL183421,7.0
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2Cl)[C@H](c2ccccc2)O1,CHEMBL364814,7.6
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccnc2)[C@H](c2ccccc2)O1,CHEMBL182269,6.5
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1,CHEMBL185131,7.1
+CC1(C)OC[C@H](NC(=S)Nc2ccccc2Br)[C@H](c2ccccc2)O1,CHEMBL184303,6.4
+CC1(C)OC[C@H](NC(=S)Nc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,CHEMBL183734,6.7
+CC1(C)OC[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,CHEMBL185324,6.7
+CC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1,CHEMBL362742,5.8
+CC1(C)OC[C@H](NC(=O)Cc2ccccc2Br)[C@H](c2ccccc2)O1,CHEMBL363273,5.8
+Cc1ccc(/N=C(\NC#N)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(Br)c1,CHEMBL185005,5.9
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL403259,9.0
+Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,CHEMBL445161,9.1
+Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,CHEMBL429848,9.7
+Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1,CHEMBL255763,10.0
+Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C,CHEMBL272715,10.05
+Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1,CHEMBL401653,9.7
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2o1,CHEMBL404343,8.1
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1,CHEMBL403667,8.7
+Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,CHEMBL404734,8.7
+Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,CHEMBL429130,9.52
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL404153,7.96
+O=C(Nc1ccccc1-c1ccccc1F)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL404053,8.52
+COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL255780,8.7
+O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL271232,8.22
+O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL271438,8.52
+O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL256788,7.96
+O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL404397,6.55
+O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL256789,9.22
+O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL258298,6.25
+O=C(Nc1ccccc1-n1cccc1)[C@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL255845,6.88
+CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,CHEMBL455136,8.215
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1,CHEMBL469146,9.222
+O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2,CHEMBL512778,7.38
+C=CCCCc1ccc2cc(N3CCCN(C(=O)c4cc(CC=C)ccc4-n4nccn4)CC3)ccc2c1,CHEMBL466260,6.92
+Cc1ccc(-n2nccn2)c(CN2CCCN(c3ncc4ccccc4n3)CC2)c1,CHEMBL466259,6.62
+O=C(C1CCCCC1)N1CCCN(c2ncc3ccccc3n2)CC1,CHEMBL511604,6.26
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1,CHEMBL469147,8.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1,CHEMBL1089406,9.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CN(c2ncc4ccccc4n2)C3)c1,CHEMBL1091111,7.96
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CC2CN3c2ncc3cc(F)ccc3n2)c1,CHEMBL1091112,6.59
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CCN3c2ncc3cc(F)ccc3n2)c1,CHEMBL1093724,5.46
+O=C(c1cc(Cl)ccc1-n1nccn1)N1CC2CC(C1)N(c1ncc3cc(F)ccc3n1)C2,CHEMBL1093725,9.22
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1,CHEMBL1083357,9.44
+C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1084949,9.33
+C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1083041,9.6
+C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1083657,9.55
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4ccccc4o3)CC[C@H]2C)c1,CHEMBL1083658,8.49
+C[C@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1082414,8.07
+O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2,CHEMBL1172520,9.22
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170803,9.1
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1,CHEMBL1172519,8.54
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1,CHEMBL1171595,7.21
+Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H]3CC[C@H]2CN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1171766,6.98
+Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CC[C@@H]2CN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1171767,6.23
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CCN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170178,8.66
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CC[C@H]2CCN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170179,7.85
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1,CHEMBL1271877,5.7
+Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2cccnc2)c1,CHEMBL1272309,5.7
+Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccco1,CHEMBL1272205,5.8
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1,CHEMBL1271701,6.0
+Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1,CHEMBL1272096,6.0
+Cc1occc1-c1nnc(SCC(=O)NN2CCc3ccccc32)n1Cc1ccco1,CHEMBL1272206,6.0
+Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)C2CNCCN2)c1,CHEMBL1271491,6.2
+Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c(C)c1,CHEMBL1271542,6.3
+Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1Cc1ccco1,CHEMBL1271820,6.3
+COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,CHEMBL1271934,6.3
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1271543,6.4
+Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)s1,CHEMBL1272151,6.4
+Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2ccccn2)c1,CHEMBL1272308,6.4
+CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1272044,6.5
+Cc1occc1-c1nnc(SCC(=O)Nc2cccc(-c3ccc4c(c3)OCO4)c2)n1Cc1ccco1,CHEMBL1271990,6.6
+COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,CHEMBL1271989,6.7
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccco1,CHEMBL1271819,6.8
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1Cc1ccco1,CHEMBL1272095,6.8
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccco1,CHEMBL1271878,7.0
+Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1,CHEMBL1272150,7.0
+Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccco1,CHEMBL1271933,7.2
+Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1271760,7.3
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1,CHEMBL1271650,7.4
+Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,CHEMBL1271702,7.4
+CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,CHEMBL1272043,7.5
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,CHEMBL1271649,7.8
+Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1C,CHEMBL1271490,8.6
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1271489,8.8
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,CHEMBL1830968,8.3
+O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,CHEMBL1830967,7.7
+O=C(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,CHEMBL1830966,7.5
+CN(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)C(=O)c1ccc(F)cc1,CHEMBL1830965,5.9
+O=C(NC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1,CHEMBL1830964,7.5
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1,CHEMBL1830963,9.6
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,CHEMBL1830962,7.7
+O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1F,CHEMBL1830961,9.1
+O=C(c1cccc2ccccc12)N1CCCC[C@H]1CCOc1ccc(F)cc1,CHEMBL1830960,6.9
+O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1,CHEMBL1830959,7.7
+N#Cc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,CHEMBL1830957,6.2
+COc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,CHEMBL1830956,6.3
+CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C,CHEMBL2385132,8.96
+COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,CHEMBL2413516,9.15
+CC1=NOC(=c2ccccc2=CN2CCCC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)N1,CHEMBL2413515,8.15
+CC1=NOC(=c2ccccc2=CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)N1,CHEMBL2413514,7.6
+Cc1cc(C)nc(N2CC[C@@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)[C@H]3C2)n1,CHEMBL2413513,7.74
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL2413512,7.92
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL2413511,7.4
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3nccc4ccccc34)OC[C@H]2C)c1,CHEMBL2413510,8.85
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1,CHEMBL2413509,8.08
+Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1,CHEMBL2110363,6.89
+CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1,CHEMBL522758,6.3
+Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1,CHEMBL1334465,5.85
+Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1,CHEMBL2111553,5.77
+Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL2107822,9.52
+Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1,CHEMBL2413520,8.24
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1,CHEMBL2413366,7.41
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1,CHEMBL2413365,8.68
+COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1,CHEMBL2425788,9.0
+COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F,CHEMBL2425787,8.7
+Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL2425786,8.3
+COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1,CHEMBL2425785,9.0
+COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F,CHEMBL2425784,8.7
+COc1ccc([C@]2(COc3cnc(C)nc3C)C[C@H]2C(=O)Nc2ccc(F)cn2)cc1F,CHEMBL2425783,8.15
+O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435393,6.73
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435395,8.34
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)cc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435394,7.76
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435396,8.93
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4[nH]ncc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435397,8.41
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ncccc45)C3=O)CC2)n1,CHEMBL2435399,7.79
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4[nH]nc5ccccc45)C3=O)CC2)n1,CHEMBL2435398,8.16
+COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,CHEMBL2435400,9.78
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1,CHEMBL2435401,7.68
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435403,8.16
+COc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435402,7.85
+Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435404,7.57
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2,CHEMBL2435405,6.26
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2,CHEMBL2435406,6.51
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435407,7.365
+O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435408,7.155
+O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL2435409,8.51
+Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1,CHEMBL2435410,9.07
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL2435411,9.17
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12,CHEMBL2435412,7.245
+Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1,CHEMBL2435413,7.845
+O=C1N(Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435414,6.585
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,10.15
+COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099898,9.22
+COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099897,8.89
+COc1ccc(CNC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099896,6.92
+COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099895,8.08
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099894,9.1
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099893,9.15
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2)c1,CHEMBL3099892,8.39
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1,CHEMBL3099891,7.74
+COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1,CHEMBL3099890,7.39
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1,CHEMBL3099889,8.32
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1,CHEMBL3099888,7.66
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1,CHEMBL3099887,7.11
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1,CHEMBL3099886,8.52
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)c1,CHEMBL3099885,6.24
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)OCO4)c2)c1,CHEMBL3099884,7.77
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235249,9.7
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](CCc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235250,7.59
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C/c3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235251,8.52
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C\c3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235252,7.55
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235253,8.96
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccccn3)CC[C@H]2C)c1,CHEMBL3235254,7.96
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3)CC[C@H]2C)c1,CHEMBL3235255,7.39
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccncc3)CC[C@H]2C)c1,CHEMBL3235256,8.15
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc[nH]c3=O)CC[C@H]2C)c1,CHEMBL3235257,7.62
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3c[nH]ccc3=O)CC[C@H]2C)c1,CHEMBL3235258,8.12
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)cn3)CC[C@H]2C)c1,CHEMBL3235259,6.89
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)n3)CC[C@H]2C)c1,CHEMBL3235260,8.25
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cc(CO)ccn3)CC[C@H]2C)c1,CHEMBL3235261,7.38
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)nc3)CC[C@H]2C)c1,CHEMBL3235262,6.82
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cncc(CO)c3)CC[C@H]2C)c1,CHEMBL3235263,7.49
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccnc(CO)c3)CC[C@H]2C)c1,CHEMBL3235264,7.6
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1,CHEMBL3235265,9.28
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1,CHEMBL3260823,7.31
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1,CHEMBL3260824,8.43
+Cc1nn(C)c2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)ncc12,CHEMBL3260825,7.04
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1,CHEMBL3260826,9.22
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1,CHEMBL3260827,9.3
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1,CHEMBL3260828,9.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)coc4n3)CC[C@H]2C)c1,CHEMBL3260829,8.3
+Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,CHEMBL3260830,7.6
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1,CHEMBL3260831,9.15
+C[C@@H]1CCN(c2nc(N)c3ccsc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3260832,8.04
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1,CHEMBL3260833,9.4
+Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1,CHEMBL3260834,8.82
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1,CHEMBL3260835,9.52
+Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,CHEMBL3260836,8.92
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,CHEMBL3338846,9.52
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,CHEMBL3338847,7.37
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,CHEMBL3338848,9.22
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,CHEMBL3338849,8.85
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,CHEMBL3338850,7.96
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2-c2ccccc2)nc1OC,CHEMBL3338851,7.96
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,CHEMBL3338852,9.52
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC,CHEMBL3338853,8.05
+COc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC,CHEMBL3338854,6.85
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC,CHEMBL3338855,8.85
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,CHEMBL3338856,9.045
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC,CHEMBL3338857,8.85
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC,CHEMBL3338858,8.12
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccnnc2)nc1OC,CHEMBL3338859,6.71
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cncc(F)c2)nc1OC,CHEMBL3338860,8.28
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCOCC2)nc1OC,CHEMBL3338861,7.12
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC,CHEMBL3338862,8.35
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC,CHEMBL3338863,8.0
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnn(C)c2)nc1OC,CHEMBL3338864,8.39
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,CHEMBL3338865,8.99
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2ccccc2)cc1OC,CHEMBL3343239,5.06
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2CNc2ccccc2)cc1OC,CHEMBL3343241,5.37
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccc2)cc1OC,CHEMBL3343242,8.14
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)NC2CCCCC2)cc1OC,CHEMBL3343243,5.11
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N(C)c2ccccc2)cc1OC,CHEMBL3343244,5.33
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,CHEMBL3343246,7.44
+O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1,CHEMBL3343247,6.01
+COc1ccc([C@]2(COc3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,CHEMBL3343248,6.89
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1,CHEMBL3341773,6.23
+COc1cccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c1,CHEMBL3343249,5.88
+COCc1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)ccc1OC,CHEMBL3343250,6.42
+COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,CHEMBL3343251,5.48
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)cc1OC,CHEMBL3343252,7.29
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)cc1OC,CHEMBL3343253,7.07
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC,CHEMBL3343254,7.46
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2nc(C)cs2)cc1OC,CHEMBL3343255,7.85
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)on2)cc1OC,CHEMBL3343256,7.55
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2nc3ccc(F)cc3[nH]2)cc1OC,CHEMBL3343257,7.57
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C#N)ccn2)cc1OC,CHEMBL3343258,7.47
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1OC,CHEMBL3343259,8.075
+O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,CHEMBL3394848,6.28
+COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12,CHEMBL3394847,9.62
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C,CHEMBL3394846,6.43
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1,CHEMBL3394845,9.1
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cn[nH]n1,CHEMBL3394844,8.96
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1,CHEMBL3394843,7.2
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394842,9.24
+CC1CCC(Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394841,8.89
+CC1CCC(Oc2ccnc3c(Cl)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394840,9.05
+CC1CCC(Oc2ccnc3c(Br)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394839,8.59
+CC1CCC(Oc2ccnc3ccc(Br)cc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394838,8.28
+CC1CCC(Oc2c(Br)cnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394837,6.74
+CC1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394836,6.83
+Cc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1,CHEMBL3394835,7.54
+CC1CCC(Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394834,8.01
+CC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394833,8.29
+CC1CCC(Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394832,8.17
+CC1CCC(Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394831,8.03
+CC1CCC(Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394830,8.12
+C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394829,9.74
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1,CHEMBL3394828,9.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1,CHEMBL3394827,7.74
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(F)c(C)c3)C2)c1,CHEMBL3394826,7.26
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)c(C)c3)C2)c1,CHEMBL3394825,7.925
+C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426148,8.42
+C[C@@H]1CC[C@@H](Oc2cc(N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426147,8.35
+C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426146,9.05
+CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426145,9.7
+COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426144,8.89
+C[C@@H]1CC[C@@H](Oc2cc(I)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426143,9.4
+C[C@@H]1CC[C@@H](Oc2cc(Br)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426142,8.74
+C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426141,8.85
+C[C@@H]1CC[C@@H](Oc2cc(F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426140,8.41
+C[C@@H]1CC[C@@H](Oc2cc(C(=O)N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426139,8.19
+COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426138,8.41
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426137,8.8
+C#Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426136,9.22
+C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426135,9.7
+CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426134,9.22
+C[C@@H]1CC[C@@H](Oc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426133,5.62
+Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,CHEMBL3426132,6.21
+Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426131,8.59
+Cc1ccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1,CHEMBL3426130,8.59
+Cc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1,CHEMBL3426129,8.12
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1,CHEMBL3426150,8.89
+Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1,CHEMBL3426149,8.35
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1,CHEMBL3586426,8.01
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586432,7.92
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586433,7.85
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586434,8.0
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586435,7.52
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586436,8.0
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)n1,CHEMBL3586437,7.52
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586438,6.92
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1,CHEMBL3586439,7.27
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586440,8.1
+COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1,CHEMBL3586441,7.34
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(Cl)ccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586442,7.11
+COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@H]2C1,CHEMBL3586413,5.73
+COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(Cl)cc5s4)C[C@H]3C2)c(OC)c1,CHEMBL3586414,6.29
+COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(C)cc5s4)C[C@H]3C2)c(OC)c1,CHEMBL3586415,6.17
+COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(OC)cc5s4)C[C@H]3C2)c(OC)c1,CHEMBL3586416,6.06
+COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(F)cc5s4)C[C@H]3C2)c(OC)c1,CHEMBL3586417,6.13
+O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4s3)C[C@H]2C1,CHEMBL3586418,6.16
+O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1,CHEMBL3586419,6.53
+O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1,CHEMBL3586420,6.86
+O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1,CHEMBL3586421,6.38
+O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1,CHEMBL3586422,6.62
+Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1,CHEMBL3586423,6.05
+O=C(c1ccccc1-n1cccn1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1,CHEMBL3586424,6.11
+O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1,CHEMBL3586425,6.97
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1,CHEMBL3586427,7.29
+COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1,CHEMBL3586428,6.85
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1,CHEMBL3586429,6.74
+CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1,CHEMBL3586430,7.57
+COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1,CHEMBL3586431,7.39
+COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,CHEMBL3586412,7.6
+COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,CHEMBL3338866,9.3
+Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,CHEMBL3585957,8.4
+Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585956,8.4
+Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585955,8.52
+Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585954,8.1
+Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585953,7.77
+COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F,CHEMBL3585952,8.22
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,CHEMBL3585951,8.4
+Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1,CHEMBL3585950,7.54
+Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1,CHEMBL3585949,7.47
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1,CHEMBL3585948,8.7
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccc(F)n2)c(C)n1,CHEMBL3585947,7.25
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585946,8.15
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1,CHEMBL3585945,6.79
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1,CHEMBL3585944,7.3
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1,CHEMBL3585943,7.1
+COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,CHEMBL3585942,8.05
+Cc1cnc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585941,7.68
+CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,CHEMBL3585940,8.15
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585939,7.31
+CCn1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585938,8.1
+CCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585936,8.0
+Cc1nn(C)cc1OCC1(c2ccccc2)CC1C(=O)Nc1ccc(C#N)cn1,CHEMBL3585935,6.69
+Cc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585933,6.65
+O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1,CHEMBL3597951,8.35
+CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1,CHEMBL3597955,8.4
+Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(-c2ccccc2)s1,CHEMBL3597954,7.36
+Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1,CHEMBL3597953,9.0
+O=C(c1ccccc1-c1ncccn1)N1C2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3597965,6.24
+O=C(c1ccccc1-c1cccs1)N1C2CCC1[C@H](COc1ccc(F)cn1)C2,CHEMBL3597966,7.92
+O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2,CHEMBL3597967,6.1
+O=C(c1ccccc1-c1ncccn1)N1CC2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3597968,6.72
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1,CHEMBL3597969,6.66
+Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3597970,6.25
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3597971,8.05
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(C)n3)CC[C@H]2C)c1,CHEMBL3622330,8.8
+COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C(F)(F)F,CHEMBL3622331,8.82
+Cc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,CHEMBL3622332,7.96
+COc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,CHEMBL3622333,8.2
+C[C@@H]1CCN(c2nc(Cl)ncc2C(F)(F)F)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3622334,5.96
+Cc1ncc(C(F)(F)F)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,CHEMBL3622335,5.38
+Cc1cnc(Cl)nc1N1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)CC1,CHEMBL3622336,6.12
+Cc1ncc(C)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,CHEMBL3622322,5.44
+C[C@@H]1CCN(c2nc(Cl)ncc2Cl)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3622323,6.07
+Cc1ncc(Cl)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,CHEMBL3622324,5.74
+C[C@@H]1CCN(c2ncc(C(F)(F)F)c(Cl)n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3622329,8.29
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(Cl)n3)CC[C@H]2C)c1,CHEMBL3622328,9.15
+COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C,CHEMBL3622327,7.85
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C)c(Cl)n3)CC[C@H]2C)c1,CHEMBL3622326,8.41
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(Cl)c(C)n3)CC[C@H]2C)c1,CHEMBL3622325,8.21
+COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1,CHEMBL3623075,6.11
+COc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634017,7.08
+COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634014,6.02
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)[nH]nc2n1)c1ccccc1,CHEMBL3634019,7.37
+C[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634020,5.95
+Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634021,8.0
+Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1,CHEMBL3634022,7.66
+COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634013,8.55
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1,CHEMBL3634023,6.44
+Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccn4)nn(C)c3n2)cc1,CHEMBL3634024,8.3
+Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnccn4)nn(C)c3n2)cc1,CHEMBL3634025,7.82
+Cc1cc2c(cn1)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2,CHEMBL3634027,7.03
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634018,6.97
+CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634006,6.94
+COc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634007,8.7
+Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1,CHEMBL3634026,6.28
+Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634028,7.23
+Cc1n[nH]c(C)c1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634008,8.52
+COc1ccccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634009,6.8
+COc1cccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1,CHEMBL3634010,7.59
+CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1cccnc1,CHEMBL3634012,6.24
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670599,6.11
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)n1,CHEMBL3670592,7.25
+CCOc1ccc2ccccc2c1C(=O)N1CCC2CN(c3nc(C)cc(C)n3)C2C1,CHEMBL3670616,8.22
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670514,6.47
+O=C(c1cc(F)ccc1-n1nccn1)C1CC[C@H]2CN(c3cnnc(Cl)c3)[C@H]2C1,CHEMBL3665645,5.85
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670526,7.55
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665637,6.91
+O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665615,7.48
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670520,6.66
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cc[nH]n4)C[C@@H]32)n1,CHEMBL3670578,7.82
+O=C(c1ccccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670528,7.77
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1,CHEMBL3670549,7.15
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,CHEMBL3665644,7.21
+Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1-n1nccn1,CHEMBL3670550,6.13
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)n1,CHEMBL3670619,7.82
+CN(C)c1nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)cc(C(F)(F)F)n1,CHEMBL3670635,7.82
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,CHEMBL3670593,6.17
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1,CHEMBL3670577,7.23
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4Br)C[C@@H]32)n1,CHEMBL3670572,6.72
+Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3670603,5.51
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,CHEMBL3665636,6.01
+COc1ccccc1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665628,5.74
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670521,6.75
+Cc1ccc(C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c(C)c1,CHEMBL3670613,5.68
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670513,6.44
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,CHEMBL3670561,7.09
+Cc1ccc(-c2ccccc2C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)cc1,CHEMBL3670610,7.36
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670522,6.94
+O=C(c1ccccc1-n1nccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670628,7.7
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670543,7.8
+O=C(c1cccc(F)c1-c1ncccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670560,6.65
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(NC4CC4)ncn3)[C@H]2C1,CHEMBL3670600,6.19
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4Br)C[C@@H]32)n1,CHEMBL3670588,5.89
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccc(F)cc3-n3nccn3)C[C@@H]21,CHEMBL3670518,5.0
+O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nc4ccccc4o3)C2C1,CHEMBL3665616,6.85
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670590,6.7
+Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,CHEMBL3665620,5.97
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670589,5.82
+Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670626,7.62
+COc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665629,5.62
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3665643,6.72
+O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670525,7.22
+Cc1nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)nc(C)c1C,CHEMBL3670636,7.96
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670527,7.74
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670534,7.14
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3665651,7.64
+CN(C)c1nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)cc(C(F)(F)F)n1,CHEMBL3670627,7.8
+COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)n1,CHEMBL3670570,6.42
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,CHEMBL3665638,6.41
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cccc(F)c3-n3nccn3)C[C@@H]21,CHEMBL3670519,5.0
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3670618,7.55
+Nc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,CHEMBL3670598,5.85
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670583,5.89
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)ccn4)[C@H]3C2)c1,CHEMBL3670548,6.68
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ccco4)CC32)n1,CHEMBL3670605,8.4
+Cc1ccnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,CHEMBL3670536,6.68
+Cc1ccc(C(=O)N2CC[C@H]3CN(c4nccc(C(F)(F)F)n4)[C@H]3C2)c(-n2ccnn2)n1,CHEMBL3665649,6.64
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670529,7.59
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665642,6.81
+Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c1,CHEMBL3665621,5.42
+Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1-n1nccn1,CHEMBL3670555,7.04
+Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1,CHEMBL3665626,6.3
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3665652,6.59
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1,CHEMBL3670576,6.13
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1,CHEMBL3670541,5.0
+Cc1nc(N)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3639694,6.64
+Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670629,7.04
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccn(C)n4)C[C@@H]32)n1,CHEMBL3670595,7.46
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665618,6.59
+Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670633,7.14
+O=C(c1cc(F)ccc1-c1ncccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670624,7.29
+O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)[C@@H]2C1,CHEMBL3665630,7.04
+O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3670602,7.85
+O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670531,7.23
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670510,6.7
+Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670625,7.3
+CN(C)c1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670596,6.96
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670511,6.72
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1,CHEMBL3670558,6.27
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4cc[nH]n4)C[C@@H]32)n1,CHEMBL3670591,8.05
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670553,6.96
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670547,7.15
+COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)c1,CHEMBL3670557,6.72
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccc(N(C)C)nc4)C[C@@H]32)n1,CHEMBL3670574,7.14
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670512,6.38
+Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670634,6.92
+O=C(c1ccccc1-c1cccnc1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670612,6.94
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)nc(C(F)(F)F)n1,CHEMBL3639645,6.28
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665632,7.54
+CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,CHEMBL3670551,5.05
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665635,6.73
+COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,CHEMBL3670562,6.85
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4cccn4)C[C@@H]32)n1,CHEMBL3670542,7.44
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670532,7.35
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,CHEMBL3670537,7.59
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670508,6.56
+CNc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670597,5.96
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)C2C1,CHEMBL3665640,7.38
+CNc1nc(C)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670594,6.51
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(-c5ccccc5)noc4C)C[C@@H]32)n1,CHEMBL3670582,6.31
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665624,7.11
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3665650,6.43
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3c(F)cccc3-n3nccn3)C[C@@H]21,CHEMBL3670516,5.0
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1,CHEMBL3665648,7.08
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,CHEMBL3665633,5.98
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ncccn4)CC32)n1,CHEMBL3670620,7.68
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670565,6.64
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]nc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670581,5.22
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670567,6.27
+Cc1nc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c(-c2ccccc2F)s1,CHEMBL3665627,6.86
+COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2ccnn2)n1,CHEMBL3670571,6.15
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1,CHEMBL3670585,6.9
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665625,7.03
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3670604,8.4
+Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670631,7.47
+Cc1ccc(-c2sc(C)nc2C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)cc1,CHEMBL3670580,7.21
+O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nccc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3665631,6.89
+Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670632,7.05
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670524,6.31
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,CHEMBL3665634,5.03
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3670617,7.89
+Cc1cnc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670568,6.43
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)n1,CHEMBL3670622,7.89
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cc(F)ccc3-n3nccn3)C[C@@H]21,CHEMBL3670517,5.0
+O=C(c1ccccc1-c1ccco1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670608,8.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cncnc4)C[C@@H]32)n1,CHEMBL3670573,6.26
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4cccn4)C[C@@H]32)n1,CHEMBL3670563,7.24
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21,CHEMBL3670515,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4nccnc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670546,6.56
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3670538,7.44
+COc1cnc(C)nc1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1,CHEMBL3670545,5.0
+Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc1,CHEMBL3670540,6.6
+Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5ccccc5)n4)[C@H]3C2)c1,CHEMBL3670601,7.55
+COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c(-n2nccn2)c1,CHEMBL3670554,6.52
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670535,6.83
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665617,6.68
+O=C(c1ccccc1Br)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670611,6.84
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670509,7.02
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-c4ncccn4)CC32)n1,CHEMBL3670615,7.7
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670523,6.79
+COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,CHEMBL3670564,6.73
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-c4ncccn4)CC32)n1,CHEMBL3670614,7.54
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(OC)cc(OC)n3)C2C1,CHEMBL3665639,6.96
+CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,CHEMBL3670552,5.55
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3nc4ccccc4o3)C2C1,CHEMBL3665619,6.55
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670533,7.04
+O=C(c1ccccc1-c1cccs1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670607,8.15
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4cccc4)CC32)n1,CHEMBL3670609,7.82
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670566,6.77
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665622,6.88
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670507,5.89
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,CHEMBL3670556,7.44
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4ccccc4F)C[C@@H]32)n1,CHEMBL3670584,6.47
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC32)n1,CHEMBL3665641,6.79
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)n1,CHEMBL3670621,7.96
+Cc1cnc(-n2ccnn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670569,6.55
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1,CHEMBL3665647,6.66
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670539,7.51
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670530,7.12
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]32)n1,CHEMBL3670575,7.26
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670544,7.82
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670559,7.77
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4snnc4C)C[C@@H]32)n1,CHEMBL3670587,5.19
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)n1,CHEMBL3670630,7.92
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]32)n1,CHEMBL3670579,7.32
+Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(C)n1,CHEMBL3670623,7.89
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4cc(C)on4)C[C@@H]32)n1,CHEMBL3670586,5.96
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3665646,6.63
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665623,6.75
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)nnc2-c2cnn(C)c2)cc1OC,CHEMBL3690070,8.48
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC,CHEMBL3690071,9.02
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCF)cc1-n1nccn1,CHEMBL3642136,7.46
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C#N)cc1-n1nccn1,CHEMBL3642132,5.87
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(C(N)=O)ccc1-n1nccn1,CHEMBL3642131,6.87
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1nscc1-n1nccn1,CHEMBL3642125,7.03
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1,CHEMBL3642124,8.23
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCCO)cc1-n1nccn1,CHEMBL3642138,4.96
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OC(F)F)cc1-n1nccn1,CHEMBL3642137,7.1
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1,CHEMBL3642140,5.98
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1,CHEMBL3642133,7.94
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-n1nccn1,CHEMBL3642122,8.46
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-c1ncccn1,CHEMBL3642149,8.68
+Cc1nsc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,CHEMBL3642127,6.86
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1,CHEMBL3642142,8.925
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(Cl)n1,CHEMBL3642141,6.21
+Cc1cccc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,CHEMBL3642119,8.64
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1,CHEMBL3642148,9.0
+Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,CHEMBL3642123,8.43
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-c1ncccn1,CHEMBL3642147,8.46
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-n1nccn1,CHEMBL3642135,8.47
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Br)ccc1-n1nccn1,CHEMBL3642129,8.04
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-c1ncccn1,CHEMBL3642146,7.91
+Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,CHEMBL3642139,6.79
+CCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,CHEMBL3642134,5.41
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-n1nccn1,CHEMBL3642128,7.82
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-c1ncccn1,CHEMBL3642144,8.23
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Cl)ccc1-n1nccn1,CHEMBL3642121,7.24
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-n1nccn1,CHEMBL3642120,8.26
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-c1ncccn1,CHEMBL3642145,8.68
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cn(C)nc1-n1nccn1,CHEMBL3642126,6.82
+Cc1cccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c1-n1nccn1,CHEMBL3642118,8.52
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,CHEMBL3642130,7.82
+COc1ncc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,CHEMBL3655710,8.35
+COc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1,CHEMBL3655711,9.01
+O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649156,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(Cl)cc4-n4nccn4)CC3C2)n1,CHEMBL3649089,7.74
+Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649078,7.62
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cncn4)CC3C2)n1,CHEMBL3649166,5.9
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1,CHEMBL3646190,5.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)CC3C2)n1,CHEMBL3652475,6.95
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649229,6.17
+O=C(c1ccccc1-n1cccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646174,6.44
+Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646181,6.1
+COc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649098,7.3
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3646188,6.74
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C)c1C,CHEMBL3652452,8.15
+Cc1cc(C(C)(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652448,7.44
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649046,7.92
+Cc1nc(=O)cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)[nH]1,CHEMBL3649210,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-n4nccn4)CC3C2)n1,CHEMBL3649194,6.61
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4F)CC3C2)n1,CHEMBL3649230,5.64
+Cc1ccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3652510,7.14
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)n1,CHEMBL3649179,6.47
+COc1cc(Br)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)cc1OC,CHEMBL3652480,5.0
+Cc1ccoc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652497,5.0
+COc1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652501,5.36
+Cc1cnc(C)c(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649172,7.48
+O=C(c1ccccc1-c1ccc(F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646179,6.24
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649075,6.65
+O=C(c1ccccc1-n1cccc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646178,6.13
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3652470,7.6
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3646165,7.55
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3646189,6.29
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649040,7.6
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649087,7.02
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646173,7.15
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,CHEMBL3649041,6.26
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649035,6.5
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4Cl)CC3C2)n1,CHEMBL3649186,6.6
+Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)nc(C)c1C,CHEMBL3649205,7.6
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1Cl,CHEMBL3652464,8.52
+COc1ccccc1S(=O)(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652500,6.74
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)ncc1F,CHEMBL3652437,7.72
+COc1ccc(C(=O)N2CC3CN(c4nc5ccc(F)cc5s4)CC3C2)c(OC)c1,CHEMBL3646167,6.52
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(C)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649090,6.95
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3646182,6.37
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4F)CC3C2)n1,CHEMBL3652511,7.68
+CCOc1ccccc1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,CHEMBL3649022,6.11
+CCc1c(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc1C,CHEMBL3652469,8.0
+O=C(O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649215,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649120,7.24
+CCc1c(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc1C,CHEMBL3652518,7.38
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649106,7.35
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649064,7.77
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649116,7.41
+Cc1cnc(C)c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649063,7.32
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1F,CHEMBL3652440,7.72
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)n1,CHEMBL3646166,7.89
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652462,7.42
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4ccnn4)CC3C2)n1,CHEMBL3652482,6.54
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1,CHEMBL3652478,7.09
+Cc1cc(N2CCOCC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652451,5.51
+Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3649133,6.02
+COc1cc(Cl)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649178,5.44
+Cc1nc(=O)cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)[nH]1,CHEMBL3649209,5.0
+COc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1,CHEMBL3649023,6.76
+Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)nc(C)c1C,CHEMBL3649195,8.15
+COc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,CHEMBL3649147,5.64
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649110,6.76
+Cc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,CHEMBL3649148,5.58
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649047,7.28
+Cc1cccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652481,7.23
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4ccnn4)CC3C2)n1,CHEMBL3649165,5.5
+COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)cc1OC,CHEMBL3652488,5.02
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4OCCCO5)CC3C2)n1,CHEMBL3639513,6.56
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,CHEMBL3646207,7.1
+Cc1ccnc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652489,7.44
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,CHEMBL3649109,6.89
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)c1,CHEMBL3652436,5.74
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649144,5.98
+COc1ccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)nc1,CHEMBL3649086,6.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646198,7.42
+O=C(c1cccc2c1OCCO2)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646172,6.45
+CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649077,7.66
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3C2)n1,CHEMBL3649052,6.34
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnccc4-n4ccnn4)CC3C2)n1,CHEMBL3652476,5.0
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1Cl,CHEMBL3652463,8.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)n1,CHEMBL3652512,7.77
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cncc(C)n4)CC3C2)c1,CHEMBL3649062,6.62
+COc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646158,7.38
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cnnc4)CC3C2)n1,CHEMBL3649216,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,CHEMBL3649053,7.42
+Cc1ccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3652527,6.08
+COc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646156,7.85
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649079,7.72
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3649112,6.74
+Cc1ccnc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652526,6.29
+COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)cc1OC,CHEMBL3652487,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649034,6.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649105,7.06
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649074,7.3
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccc(F)cc4s3)CC2C1,CHEMBL3646197,6.88
+COc1c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)ccc2ccccc12,CHEMBL3652486,5.82
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc(F)cn3)CC2C1,CHEMBL3652439,6.37
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649121,7.34
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649107,7.57
+COc1ccc(C(=O)N2CC3CN(c4cccc(C)n4)CC3C2)c(OC)c1,CHEMBL3649145,5.05
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646199,6.15
+Cc1ccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3649204,6.77
+Cc1cncc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649171,7.36
+COc1ccc(C(=O)N2CC3CN(c4nc5ccc(C)cc5s4)CC3C2)c(OC)c1,CHEMBL3649132,6.35
+O=C(c1ccccc1-c1cccc(F)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646180,6.87
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3C2)n1,CHEMBL3649177,5.66
+CCOc1cccc(OCC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649185,6.5
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4I)CC3C2)n1,CHEMBL3649188,7.28
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,CHEMBL3649150,5.89
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3646195,6.85
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C)n1,CHEMBL3649076,5.3
+COc1cc(OC)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,CHEMBL3649103,6.5
+COc1ccc(C(C)(C)C)cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652477,5.0
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652494,5.92
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649026,7.36
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncc[nH]4)CC3C2)n1,CHEMBL3649142,5.66
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652453,7.41
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4C)CC3C2)n1,CHEMBL3649176,6.3
+COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5o4)CC3C2)c(OC)c1,CHEMBL3649143,5.3
+COc1ccccc1S(=O)(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652502,5.74
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4Br)CC3C2)n1,CHEMBL3652483,6.29
+Cc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649061,7.82
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,CHEMBL3649135,6.17
+Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649085,6.37
+COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649211,7.34
+COc1ccnc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649111,7.04
+CN(C)c1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646157,7.17
+COC(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649214,6.3
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4cc(C(C)C)ccc4-n4nccn4)CC3C2)n1,CHEMBL3652447,6.54
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C(C)C)CC3C2)n1,CHEMBL3649054,6.27
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649126,6.33
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,CHEMBL3649033,7.28
+CN(C)C(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649221,5.0
+COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)nc(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652524,7.55
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3649104,7.09
+CN(C)c1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646160,7.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,CHEMBL3649030,6.92
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649091,7.49
+Cc1cc(-c2ccco2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649234,6.07
+COc1cc(C)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649228,5.53
+COc1cc2ccccc2cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652484,5.79
+COc1ccc(C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652513,7.77
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646196,7.44
+COc1ccnc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649119,7.35
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646183,7.33
+Cc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649118,7.26
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(Cl)c4)CC3C2)n1,CHEMBL3646206,6.13
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)CC3C2)n1,CHEMBL3652485,5.05
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC2C1,CHEMBL3649174,5.91
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(I)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649067,7.7
+Cc1nc(N2CC3CN(C(=O)c4ccccc4C4=NN(C)CN4)CC3C2)ncc1Cl,CHEMBL3652468,7.54
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ccc(F)cn3)CC2C1,CHEMBL3649113,6.9
+O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649154,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)n1,CHEMBL3649208,5.66
+O=S(=O)(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652498,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649037,7.85
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3649134,6.14
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc(Cl)ncc3F)CC2C1,CHEMBL3652438,6.58
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccc(C)cc4)CC3C2)n1,CHEMBL3646205,6.11
+COc1ccc(C(=O)N2CC3CN(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652515,8.05
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1OC,CHEMBL3649225,5.3
+COc1ccc(C(=O)N2CC3CN(c4nccc(OC)n4)CC3C2)c(OC)c1,CHEMBL3649139,5.05
+Cc1cc(C2CC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652449,7.77
+COc1ccnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649122,7.37
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649099,7.52
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3652446,7.82
+Cc1ccoc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652496,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,CHEMBL3649031,7.89
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4ccnn4)CC3C2)n1,CHEMBL3649219,5.0
+CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649068,7.59
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649100,7.2
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4C)CC3C2)n1,CHEMBL3649181,6.37
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1Cl,CHEMBL3652467,8.4
+O=C(c1cccc2cc[nH]c12)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646187,6.35
+Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649095,6.99
+O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646192,6.45
+Cc1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C,CHEMBL3652442,7.62
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649164,7.3
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C)n1,CHEMBL3649083,6.06
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649124,6.54
+COc1ccc(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652522,7.66
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646170,7.62
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646194,8.15
+O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649158,5.88
+CN(C)c1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649082,7.82
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3652441,8.4
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649066,7.38
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3nnc[nH]3)CC2C1,CHEMBL3649058,6.67
+COc1ccnc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,CHEMBL3649021,6.64
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4nccn4)CC3C2)n1,CHEMBL3649213,7.05
+COc1ccccc1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649140,5.64
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(C)C)n1,CHEMBL3649044,5.91
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3cccs3)CC2C1,CHEMBL3649028,6.64
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4OC(F)(F)F)CC3C2)n1,CHEMBL3649226,7.21
+N#Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646177,5.05
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652445,8.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncco4)CC3C2)n1,CHEMBL3652505,7.72
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnnc5ccccc45)CC3C2)n1,CHEMBL3649163,5.3
+Cc1cc(C(=O)O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649217,5.05
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1C,CHEMBL3652458,8.15
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2ncccn2)c1,CHEMBL3649224,7.48
+Cc1cccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652506,7.08
+COc1ccc(C(=O)N2CC3CN(c4ncc5cc(F)ccc5n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652521,7.52
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4F)CC3C2)n1,CHEMBL3649223,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccc4F)CC3C2)n1,CHEMBL3652528,6.92
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,CHEMBL3649084,7.36
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3649173,7.25
+Cc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649183,5.83
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,CHEMBL3649114,7.12
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)CC3C2)c1,CHEMBL3649069,7.24
+COc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646152,7.43
+Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646176,6.96
+CN(C)c1nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649072,7.55
+CCCc1nc(C)cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649169,5.05
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1C,CHEMBL3649055,6.12
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1,CHEMBL3649235,8.0
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649049,6.59
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,CHEMBL3649168,5.68
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3649081,7.15
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc2c1CCC2,CHEMBL3652460,8.15
+CN(C)c1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646153,7.48
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1Cl,CHEMBL3652471,7.8
+COc1ccc(C(=O)N2CC3CN(c4nc5ccc(OC)cc5s4)CC3C2)c(OC)c1,CHEMBL3649131,6.11
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652519,6.03
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649038,6.92
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1,CHEMBL3652466,7.74
+COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5s4)CC3C2)c(OC)c1,CHEMBL3646168,6.14
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,CHEMBL3649036,8.15
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4s3)CC2C1,CHEMBL3649129,6.23
+COc1ccnc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,CHEMBL3646208,6.78
+Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-n4cccc4)CC3C2)n1,CHEMBL3646159,6.27
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ccccn4)CC3C2)n1,CHEMBL3652504,7.82
+CCc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652444,8.22
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccnc45)CC3C2)n1,CHEMBL3646162,5.84
+Cc1cnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)c(C)n1,CHEMBL3649027,6.24
+Cc1cc(=O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]1,CHEMBL3649233,5.05
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ncccc3C(F)(F)F)CC2C1,CHEMBL3649101,6.92
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)ccc5c4OCO5)CC3C2)n1,CHEMBL3652474,6.99
+O=C(c1cccc(F)c1Br)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649203,6.19
+Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)cc1,CHEMBL3649155,5.96
+CCCOc1ncccc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652517,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncoc4-c4ccccc4)CC3C2)n1,CHEMBL3649042,6.32
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)n1,CHEMBL3649193,7.16
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3649050,6.29
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649218,6.9
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3652520,7.8
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c1,CHEMBL3649088,7.26
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,CHEMBL3649025,7.38
+Cc1cccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652525,6.24
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649212,8.1
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ccccn4)CC3C2)n1,CHEMBL3652503,7.64
+O=C(c1ccccc1Br)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646193,6.21
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ncccn4)CC3C2)n1,CHEMBL3649191,6.25
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(F)cc4s3)CC2C1,CHEMBL3649136,6.63
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C#N)CC3C2)n1,CHEMBL3649162,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C)CC3C2)n1,CHEMBL3649182,6.08
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC3C2)n1,CHEMBL3649045,6.42
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649198,7.41
+Cc1nc(=O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]1,CHEMBL3649206,5.0
+Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3649196,8.15
+COc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652443,8.05
+O=C(c1ccccc1-n1cccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646175,6.38
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncnn4C)CC3C2)n1,CHEMBL3652454,5.0
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,CHEMBL3649024,6.65
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)CC3C2)n1,CHEMBL3652461,7.89
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c1,CHEMBL3649201,7.24
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649152,5.99
+COc1cccc(OC)c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649125,6.07
+Cc1cc(C(=O)N(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649220,6.58
+Cc1cc(C)nc(N2CC3CN(S(=O)(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3652499,6.64
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)c1,CHEMBL3649097,6.98
+Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649080,7.29
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649117,7.16
+Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649060,7.55
+O=C(c1ccccc1-n1cccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646169,6.28
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncco4)CC3C2)n1,CHEMBL3652530,7.72
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1nccn1,CHEMBL3649237,5.82
+CCc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646186,6.14
+Cc1nccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649170,5.52
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C)nc(C(F)(F)F)n4)CC3C2)c1,CHEMBL3649073,7.02
+Cc1cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)nc(C)n1,CHEMBL3649207,5.3
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649115,7.48
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(Cl)c(C)n4)CC3C2)n1,CHEMBL3652465,8.3
+COc1ccc(C(=O)N2CC3CN(c4nccc(C)n4)CC3C2)c(OC)c1,CHEMBL3649146,5.0
+COc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646155,7.19
+COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(C)c1,CHEMBL3649157,5.93
+CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649070,7.34
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,CHEMBL3649167,5.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,CHEMBL3649093,6.9
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3646185,7.1
+COc1ccc(C(=O)N2CC3CN(c4ncc(Cl)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652514,8.0
+COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(OC)c1,CHEMBL3649151,5.58
+COc1ccc(C(=O)N2CC3CN(c4cc(C)c5ccccc5n4)CC3C2)c(OC)c1,CHEMBL3649130,6.02
+COc1ccc(C(=O)N2CC3CN(c4ncc(C)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652516,7.82
+Cc1cc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649222,5.99
+O=C(c1ccccc1-c1cccnc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649141,5.45
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccn4)CC3C2)n1,CHEMBL3649187,7.17
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4nccn4)CC3C2)n1,CHEMBL3649227,6.31
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,CHEMBL3649149,5.8
+Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646171,7.04
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4Br)CC3C2)n1,CHEMBL3649190,5.0
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649102,5.99
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3649200,7.74
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cccc(C(F)(F)F)n3)CC2C1,CHEMBL3649094,6.54
+CN(C)c1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646154,7.38
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646203,7.19
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2C1,CHEMBL3649232,7.39
+Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1,CHEMBL3646164,7.05
+CCCOc1cccnc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652490,5.82
+CCOc1cccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649108,7.07
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,CHEMBL3649032,7.77
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649048,7.01
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,CHEMBL3646184,6.6
+COc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649161,5.86
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c1,CHEMBL3649197,7.77
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,CHEMBL3649056,7.19
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)n1,CHEMBL3652456,8.15
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ccccn4)CC3C2)n1,CHEMBL3652529,6.74
+CCCOc1cccnc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652492,5.51
+CCc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649039,6.63
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)ncc1F,CHEMBL3652459,7.1
+COc1ccc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c(OC)c1,CHEMBL3649127,6.39
+O=C(c1ccccc1Br)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646191,6.25
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3649240,7.96
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646202,6.19
+Cc1ccnc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652509,7.38
+Cc1ccc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649180,6.2
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnoc4-c4ccccc4)CC3C2)n1,CHEMBL3649043,6.5
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4cc[nH]n4)CC3C2)n1,CHEMBL3649236,8.1
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649092,7.12
+CCOc1ccc(OCC)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649184,6.74
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649128,7.18
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1F,CHEMBL3652472,7.8
+COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)ncn4)CC3C2)c(-n2nccn2)c1,CHEMBL3652523,6.72
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4C(F)(F)F)CC3C2)n1,CHEMBL3649189,5.68
+COc1cccc(OC)c1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652493,5.0
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4nc3C(F)(F)F)CC2C1,CHEMBL3649057,6.26
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649199,7.8
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649096,7.05
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc([N+](=O)[O-])cn3)CC2C1,CHEMBL3639480,6.32
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3649202,7.96
+COc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646200,7.11
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4C)CC3C2)n1,CHEMBL3649175,6.39
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1,CHEMBL3649192,5.0
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3639479,6.62
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,CHEMBL3649065,7.42
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649059,7.17
+Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1,CHEMBL3652495,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)n1,CHEMBL3652455,7.59
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccnn4-c4ccccc4)CC3C2)n1,CHEMBL3646161,6.77
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)n1,CHEMBL3652457,7.19
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4OC)CC3C2)n1,CHEMBL3649159,5.42
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)nc2ccccc12,CHEMBL3649138,6.91
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1ccnn1,CHEMBL3649238,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4F)CC3C2)n1,CHEMBL3646204,5.3
+Cc1cc(C#N)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649231,7.64
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4-c4ccccc4C5)CC3C2)n1,CHEMBL3652473,8.1
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccc4F)CC3C2)n1,CHEMBL3652491,7.6
+COc1ccc(C(=O)N2CC3CN(c4nc5ccc(Cl)cc5s4)CC3C2)c(OC)c1,CHEMBL3649123,6.42
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4C)CC3C2)n1,CHEMBL3652507,5.47
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3649137,6.47
+Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)cc1,CHEMBL3649153,5.94
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4ccnn4)CC3C2)n1,CHEMBL3649239,5.85
+CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649071,7.28
+Cc1ncnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652450,5.77
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3ccccc3)CC2C1,CHEMBL3649029,6.35
+Cc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646201,6.67
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1,CHEMBL3652508,6.96
+COc1ccccc1C(=O)N1CC2CN(c3nccc(C)n3)CC2C1,CHEMBL3649160,5.0
+CCOc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649051,7.12
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)n1,CHEMBL3652479,6.94
+Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-c4ccccc4)CC3C2)n1,CHEMBL3646163,7.34
+C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672926,7.01
+C[C@@H]1CS[C@@H](COc2ccc(C(F)(F)F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672930,7.18
+C[C@@H]1CS[C@@H](COc2ccc(C#N)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672938,7.33
+C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672925,6.4
+C[C@@H]1CS(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672924,6.77
+C[C@@H]1CS[C@@H](COc2ncccc2C#N)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672939,6.82
+C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672936,7.82
+Cc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1,CHEMBL3672928,8.01
+COc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,CHEMBL3672935,6.81
+Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl,CHEMBL3672933,7.49
+Cc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,CHEMBL3672934,8.13
+C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672937,9.05
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)SC[C@H]2C)c1,CHEMBL3672927,9.42
+Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)c1,CHEMBL3672932,6.72
+C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672929,8.77
+C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672931,8.6
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691806,5.33
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4cnc(C(F)(F)F)cn4)C2C3)n1,CHEMBL3691807,5.0
+CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691808,5.05
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691810,6.295
+CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691811,5.84
+Cc1cnc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2nccn2)c1,CHEMBL3691812,5.695
+CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691813,6.28
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691814,5.975
+O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691817,6.16
+COc1cccc(-n2nccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691818,6.64
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691819,6.135
+Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,CHEMBL3691820,6.63
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691821,5.965
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691822,6.02
+O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691823,5.625
+O=C(c1ncccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691827,5.77
+Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1,CHEMBL3691829,6.84
+O=C(c1cccc(F)c1-n1ccnn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691830,5.46
+Cc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2ccnn2)n1,CHEMBL3691831,5.96
+CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691832,5.74
+O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691833,6.16
+COc1cccc(-c2cc[nH]n2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691834,6.97
+COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691835,6.47
+O=C(c1cccc2cc[nH]c12)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691837,5.24
+O=C(c1ccc(F)cc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691838,5.66
+O=C(c1cccc(F)c1Br)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691839,5.82
+O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691840,6.3
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691841,6.01
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691842,6.29
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)n1,CHEMBL3691843,6.17
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2,CHEMBL3691844,6.17
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1,CHEMBL3691845,5.4
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691846,6.78
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)n1,CHEMBL3691847,6.88
+Cc1cccc(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,CHEMBL3691848,7.34
+CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691849,6.72
+O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691850,6.6
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691851,6.74
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691852,6.67
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3-n3nccn3)[C@H]2C)n1,CHEMBL3704924,6.54
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1,CHEMBL3704925,6.66
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704926,6.59
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704927,7.4
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704928,6.94
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1,CHEMBL3704929,7.6
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,CHEMBL3704930,6.64
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,CHEMBL3704931,6.23
+Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)[C@H]2C)nc(C(F)(F)F)n1,CHEMBL3704932,5.69
+C[C@H]1[C@H](Nc2nccc(C(F)(F)F)n2)CCCN1C(=O)c1c(F)cccc1-n1nccn1,CHEMBL3704933,6.84
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3704934,6.2
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704935,6.48
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3704936,6.105
+CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,CHEMBL3704938,6.17
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704939,6.69
+COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1,CHEMBL3704940,6.62
+Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1,CHEMBL3704941,6.82
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1,CHEMBL3704942,6.23
+Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704943,6.545
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704944,6.68
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,CHEMBL3704945,6.49
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3704946,5.69
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncccn2)c1,CHEMBL3704947,7.04
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,CHEMBL3704948,5.41
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,CHEMBL3704949,5.85
+C[C@H]1[C@H](Nc2ncc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704950,6.18
+Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,CHEMBL3640038,6.29
+C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704951,6.61
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704952,5.32
+C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704953,6.15
+C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704954,6.13
+C[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704955,5.82
+Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,CHEMBL3704956,6.08
+C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704957,6.48
+C[C@H]1[C@H](Nc2ncc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704958,6.72
+C[C@H]1[C@H](Nc2ncc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704959,6.09
+C[C@H]1[C@H](Nc2nc3ccccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704960,6.55
+C[C@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704961,6.39
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,CHEMBL3704962,5.34
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,CHEMBL3704963,5.8
+C[C@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704964,6.55
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1C,CHEMBL3704965,6.31
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1C,CHEMBL3704966,5.89
+C[C@H]1[C@H](Nc2cnc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704967,7.02
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2cnc3ccccc3n2)[C@@H]1C,CHEMBL3704968,7.05
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2cnc3ccccc3n2)[C@@H]1C,CHEMBL3704969,6.45
+C[C@H]1[C@H](Nc2nccc(-c3ccccc3)n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704970,5.68
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,CHEMBL3669006,5.57
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,CHEMBL3669007,7.24
+C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3669010,5.44
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@H]1C,CHEMBL3669014,5.6
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@H]1C,CHEMBL3669015,5.24
+COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2cnc3ccccc3n2)[C@H]1C,CHEMBL3669017,5.89
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2cnc3ccccc3n2)[C@H]1C,CHEMBL3669018,6.53
+C[C@@H]1[C@H](Nc2nccc(-c3ccccc3)n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3669019,5.74
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669023,5.82
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669025,5.72
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)n1,CHEMBL3669026,5.02
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669027,5.89
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669028,5.4
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3669029,6.36
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669030,5.89
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669031,5.31
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)n1,CHEMBL3669032,7.0
+COc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669033,5.19
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669034,5.15
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3669035,6.76
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669037,5.48
+COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c1,CHEMBL3669038,6.43
+C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,CHEMBL3669039,6.31
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669040,5.68
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669041,5.38
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669042,5.57
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669044,5.41
+COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669045,5.21
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669047,5.85
+Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669049,5.28
+C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3669050,5.64
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1,CHEMBL3639580,6.98
+CCOc1nc(C)ccc1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663461,5.75
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1I,CHEMBL3663560,5.6
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1,CHEMBL3659182,6.96
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,CHEMBL3663491,6.06
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1cccnn1,CHEMBL3663547,5.96
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C)C3)n1,CHEMBL3659223,6.69
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663515,5.48
+O=C(c1c2[nH]cccc-2ccc1=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663462,6.1
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1,CHEMBL3663432,5.0
+CCOc1nccc(Br)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663464,5.84
+Cc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3659241,5.1
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1,CHEMBL3659188,7.605
+Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1,CHEMBL3659240,5.62
+Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1,CHEMBL3663403,6.02
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1,CHEMBL3659184,6.92
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncc2)C3)n1,CHEMBL3659225,5.14
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cnc2C)C3)c1,CHEMBL3659189,6.44
+Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659233,5.21
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2c(F)cccc2-n2nccn2)n1,CHEMBL3663492,6.15
+O=C(c1ncccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663569,5.72
+Cc1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1,CHEMBL3663562,6.03
+O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663424,6.91
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1,CHEMBL3659212,7.04
+COc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663417,5.32
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663396,7.42
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3639624,6.12
+COc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663423,5.89
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663419,6.97
+COc1cccc(OC)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663411,6.81
+Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659194,6.8
+O=C(c1cncc2ccccc12)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663524,5.68
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)c1,CHEMBL3659183,7.15
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663540,5.96
+COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3663418,7.14
+CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663530,5.99
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2)C3)n1,CHEMBL3659226,5.62
+COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663525,5.3
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3663453,6.0
+O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659200,6.91
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663523,6.31
+Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,CHEMBL3663531,5.95
+COc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,CHEMBL3663507,5.12
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663555,5.64
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659201,6.91
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,CHEMBL3663498,6.66
+O=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659195,6.4
+Cc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,CHEMBL3663508,5.51
+COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663412,5.59
+COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663395,6.16
+Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,CHEMBL3663436,5.13
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663556,6.13
+Cc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659234,6.21
+Cn1ncc(-c2ccccc2)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663388,5.54
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663576,6.59
+Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,CHEMBL3663435,5.0
+COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1,CHEMBL3663539,6.58
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,CHEMBL3659210,7.66
+O=C(c1cccc(F)c1I)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663561,5.13
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)n1,CHEMBL3659215,6.38
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,CHEMBL3663473,5.4
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)nn1)C2,CHEMBL3663506,5.31
+CCOc1ccccc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663467,6.26
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663542,6.16
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663575,5.92
+CCOc1ncc(Br)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663460,6.27
+COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663413,7.92
+Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659238,6.2
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663486,5.89
+Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1,CHEMBL3663429,6.88
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2,CHEMBL3663554,6.84
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1,CHEMBL3663437,6.02
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,CHEMBL3663495,5.96
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663577,6.94
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663527,6.14
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659176,6.56
+CCOc1ccccc1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,CHEMBL3659211,6.6
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1,CHEMBL3659217,6.72
+Cc1ccnc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)c1,CHEMBL3659186,7.16
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,CHEMBL3659202,7.41
+O=C(c1cc(CO)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663430,6.64
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1nc3cc(Cl)ccc3o1)C2,CHEMBL3663510,6.32
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663566,6.38
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,CHEMBL3663444,5.64
+O=C(c1ncc(Cl)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663416,6.0
+Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1,CHEMBL3663401,5.68
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,CHEMBL3659208,7.57
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,CHEMBL3659213,7.23
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1ccccn1)C2,CHEMBL3663469,5.6
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659232,7.09
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)n1,CHEMBL3659214,8.0
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,CHEMBL3663497,6.31
+CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663390,6.64
+O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663549,6.73
+Cn1ncc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-c1ccccc1,CHEMBL3663391,5.01
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1,CHEMBL3663519,5.48
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663422,5.66
+CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663572,6.37
+O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663551,5.77
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc4ccccc4nc2C(F)(F)F)C3)c1,CHEMBL3659190,6.31
+COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663570,6.76
+Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1,CHEMBL3663468,5.14
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,CHEMBL3663513,5.77
+O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663420,6.5
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2,CHEMBL3663505,5.74
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1,CHEMBL3663574,5.96
+Cc1cnc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663482,5.82
+Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659236,6.24
+Cn1cc(-c2ccccc2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663384,6.06
+Cn1c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21,CHEMBL3663535,5.28
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,CHEMBL3659230,6.73
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663529,6.54
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C)n2)C3)c1,CHEMBL3659187,7.36
+Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1,CHEMBL3663399,6.66
+O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663544,6.28
+O=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659192,5.82
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663428,6.45
+Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)on1,CHEMBL3663406,5.54
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,CHEMBL3663456,6.36
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,CHEMBL3663514,5.96
+Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,CHEMBL3663448,5.49
+COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,CHEMBL3663545,5.3
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2C)C3)n1,CHEMBL3659222,5.66
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659203,6.33
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2,CHEMBL3663509,5.05
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,CHEMBL3663443,5.19
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2,CHEMBL3663438,6.16
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,CHEMBL3663457,6.52
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,CHEMBL3663455,5.23
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1cnc3ccccc3n1)C2,CHEMBL3663472,6.0
+Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663404,6.08
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663433,6.0
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2,CHEMBL3663450,6.71
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(F)(F)F)cn1)C2,CHEMBL3659216,5.33
+Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1,CHEMBL3659239,5.43
+O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663541,5.49
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)n1,CHEMBL3663496,6.35
+Cc1nc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ccc(F)cc2)s1,CHEMBL3663528,6.63
+Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1,CHEMBL3663451,5.49
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663488,6.1
+O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659193,6.79
+Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,CHEMBL3663410,5.34
+Cn1cc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)n1,CHEMBL3663385,5.51
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1,CHEMBL3663564,5.92
+Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663415,7.03
+Cc1cc(C)nc(NCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,CHEMBL3639623,6.29
+Cc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663427,6.54
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cccc(C(F)(F)F)n1)C2,CHEMBL3663503,6.13
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1,CHEMBL3659209,5.92
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)n1,CHEMBL3663452,5.7
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,CHEMBL3663445,6.52
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,CHEMBL3659219,5.74
+O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663571,6.25
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cc(C)nc(C(F)(F)F)n2)C3)c1,CHEMBL3663476,7.49
+O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663567,5.77
+Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1,CHEMBL3659237,6.76
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663536,5.91
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,CHEMBL3663502,7.05
+O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663563,5.89
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccc(F)cc2-n2nccn2)n1,CHEMBL3663493,6.26
+COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663526,6.62
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663553,5.77
+O=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659196,6.42
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659197,7.96
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1,CHEMBL3663440,5.92
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)nc1,CHEMBL3663442,6.6
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(C(F)(F)F)nnc13)C2,CHEMBL3663558,5.59
+Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1,CHEMBL3663484,5.92
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663421,6.61
+O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663398,5.48
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccn2)C3)n1,CHEMBL3659227,5.31
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,CHEMBL3659207,6.42
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,CHEMBL3663481,6.21
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659204,6.16
+O=C(c1cc(F)ccc1-c1cc[nH]n1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663414,7.0
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659206,6.125
+COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1,CHEMBL3663533,5.25
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1,CHEMBL3663557,6.48
+Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663402,5.43
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663550,6.92
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,CHEMBL3663511,6.11
+O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659242,5.77
+Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ccccc2F)s1,CHEMBL3659198,7.22
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1,CHEMBL3663441,6.37
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659191,7.3
+CCOc1nccc(C)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663458,5.44
+Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663400,6.08
+Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663478,5.39
+Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3663474,5.4
+Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)c1,CHEMBL3663409,5.44
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2ccnn2)n1,CHEMBL3663434,5.14
+O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663537,5.02
+Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,CHEMBL3663407,5.74
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,CHEMBL3659205,6.97
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663490,5.82
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663425,6.47
+Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)c1,CHEMBL3663479,5.57
+CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659243,6.66
+CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663466,6.82
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663431,5.96
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1,CHEMBL3663494,6.26
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1,CHEMBL3663439,5.41
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659220,5.64
+Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,CHEMBL3663483,5.82
+COc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663485,5.06
+Cc1ccn2c(C)cnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663386,5.07
+O=C(c1cccc(F)c1-c1ccncc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663552,5.43
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,CHEMBL3663480,5.92
+Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,CHEMBL3663408,5.92
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)n1,CHEMBL3663449,6.48
+O=C(c1cccc(F)c1-c1cccnn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663546,5.38
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,CHEMBL3663489,6.49
+Cc1noc(-c2c(F)cccc2C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,CHEMBL3663538,6.42
+COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,CHEMBL3663512,5.17
+COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,CHEMBL3659218,5.36
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,CHEMBL3663446,6.52
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659199,6.83
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c1,CHEMBL3659185,7.38
+Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659231,6.47
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,CHEMBL3663454,5.0
+Cc1ccc(-n2ccc(C)n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659235,6.59
+Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,CHEMBL3663447,5.34
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ncccn2)c1,CHEMBL3663426,6.0
+Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669445,6.81
+O=C1N(Cc2cccc(-n3ccnn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669468,6.61
+Cc1onc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669463,7.06
+O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669444,6.95
+O=C1N(Cc2cccc(-c3ncccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669479,7.21
+O=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669436,7.66
+O=C1N(Cc2cccc(-n3nccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669578,7.89
+O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669435,7.34
+O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669542,7.96
+Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1,CHEMBL3669546,7.09
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc3ccccc3n1)CC2,CHEMBL3669564,7.17
+Cc1noc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)n1,CHEMBL3669512,6.97
+O=C1N(Cc2ccnc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669481,7.08
+Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12,CHEMBL3669568,7.85
+O=C1N(Cc2ccccc2-n2nccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669470,7.41
+O=C1N(Cc2cccc(-n3cccn3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669498,7.1
+O=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669506,8.1
+O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669457,7.08
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2,CHEMBL3669560,7.64
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3c1)CC2,CHEMBL3669469,7.49
+O=C1N(Cc2cccc3nsnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669521,7.09
+O=C1N(Cc2cccc3c2OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669439,7.46
+COc1cccc(-n2cncc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669519,7.07
+Cn1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc21,CHEMBL3669537,7.54
+O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669434,7.52
+O=C1N(Cc2cccc3cccnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669451,6.67
+Cc1nc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)no1,CHEMBL3669508,7.3
+O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669441,6.9
+O=C1C(Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2,CHEMBL3669577,7.49
+O=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669554,7.72
+O=C1N(Cc2ccc3c(c2)OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669438,6.4
+O=C1N(Cc2cccc3nonc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669493,7.01
+O=C1N(Cc2cccc(-c3ccccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669452,7.29
+Cc1ccc(-n2nccn2)cc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669535,7.14
+O=C1N(Cc2cccc(-c3cnccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669483,7.64
+O=C1N(Cc2c[nH]c3ncccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669476,7.04
+O=C1N(Cc2ccccc2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669440,5.97
+Cc1nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c(-c2cccc(F)c2)s1,CHEMBL3669490,7.26
+Cc1cc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc2[nH]1,CHEMBL3669443,7.46
+O=C1N(Cc2cccc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669478,7.31
+Cn1cc(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c2cccnc21,CHEMBL3669549,7.41
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncc3ccccc3n1)CC2,CHEMBL3669573,7.15
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669557,7.16
+O=C1N(Cc2cccc(-c3ccccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669473,7.33
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc3nccnc3cn1)CC2,CHEMBL3669571,7.09
+O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669555,7.35
+O=C1N(Cc2ccccc2C(F)(F)F)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669453,6.55
+Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21,CHEMBL3669467,7.32
+Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)o1,CHEMBL3669553,8.15
+O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1nccc3occc13)CC2,CHEMBL3669497,7.09
+Cc1ccc(N)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669532,6.86
+N=C(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,CHEMBL3669536,8.05
+O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,CHEMBL3669459,6.21
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3nccnc3c1)CC2,CHEMBL3669552,6.21
+O=C1N(Cc2cccc(-n3cccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669464,6.57
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nnc(-c3ccccc3)s1)CC2,CHEMBL3669575,6.1
+O=C1N(Cc2noc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669465,6.71
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3[nH]ccc13)CC2,CHEMBL3669559,6.62
+O=C1N(Cc2ccc(-n3cncn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669496,5.8
+Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)on1,CHEMBL3669513,5.86
+O=C1N(Cc2ccccc2-n2cccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669499,6.09
+O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669544,5.71
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2,CHEMBL3669472,6.75
+COc1ccccc1-n1ccnc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669520,5.8
+COCc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669495,7.02
+N/N=C(/CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)Nc1ccccc1,CHEMBL3669530,6.14
+O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669545,6.98
+O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669458,6.8
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2,CHEMBL3669538,6.28
+CN1CCc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669551,6.2
+O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669484,6.52
+N#Cc1ccc(F)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3639683,6.85
+O=C1N(Cc2ccccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669480,6.08
+Cc1cc(-n2cccn2)nc(N2CCC3(CCNC(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL3669576,6.46
+Cc1cc(C)n(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1,CHEMBL3669523,5.92
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ncccc12,CHEMBL3669547,6.39
+Cc1oc(-c2cscn2)nc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669522,6.08
+O=C1N(Cc2ccnc(Br)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669489,6.34
+CN1CCOc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669550,6.22
+COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1F,CHEMBL3669510,6.65
+Cc1cc(C)cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669446,6.95
+O=C1N(Cc2cc(=O)[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669507,6.2
+Cn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669456,6.77
+Cc1nc2ccccc2nc1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,CHEMBL3669574,6.27
+O=C1N(Cc2cccc(N3CCCC3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669511,5.93
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,CHEMBL3669558,6.94
+O=C1N(Cc2cccc3cnccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669474,6.82
+N#Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccc1F,CHEMBL3669505,6.55
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-n3ccnc3)ncn1)CC2,CHEMBL3669562,6.26
+Cc1cccc(-c2sc(C)nc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669486,6.79
+O=C1CC2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12,CHEMBL3669566,6.25
+O=C1N(Cc2cc(-n3cccn3)ccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669534,6.52
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1noc2ccccc12,CHEMBL3669541,6.73
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3o1)CC2,CHEMBL3669466,7.01
+O=C1CCCC2(CCN(c3nnc(-c4ccccc4)o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669543,6.18
+O=C1N(Cc2cc3ccccc3[nH]2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669529,5.78
+Cc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,CHEMBL3669567,6.32
+Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669449,6.31
+N#Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669503,6.19
+O=C1N(Cc2nccn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669500,6.43
+Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c2ccccc12,CHEMBL3669561,6.49
+O=C1N(Cc2cccc3c2OCCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669539,6.26
+Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc2n1,CHEMBL3669462,6.55
+O=C1N(Cc2cccnc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669482,6.14
+Cc1noc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669461,6.86
+O=C1N(Cc2cncn2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669518,6.02
+Cc1ncc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2c1OC(C)(C)OC2,CHEMBL3669525,6.6
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccncc3)n1)CC2,CHEMBL3669570,6.81
+COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC,CHEMBL3669448,6.11
+O=C1N(Cc2cnc3ccccn23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669487,6.59
+Cc1[nH]c2ccccc2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669540,6.61
+Cc1ccc(C)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669450,6.69
+O=C1N(Cc2cccc(-c3ccncc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669477,6.66
+COc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,CHEMBL3669563,6.13
+Cn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669516,6.71
+O=C1N(Cc2cc(F)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669528,6.9
+Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1C,CHEMBL3669447,6.61
+C/N=C(/CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,CHEMBL3669492,6.25
+O=C1N(Cc2cc(Cl)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669501,6.13
+Cc1nc(-c2ccccc2)oc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669527,6.54
+CC(c1c[nH]c2ccccc12)N1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669491,6.73
+O=C1N(Cc2cccc3c2CCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669533,6.57
+O=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669475,6.32
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-c3ccccc3)ncn1)CC2,CHEMBL3669569,6.94
+O=C1N(Cc2nccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669504,6.8
+CC(=N)OC(=N)c1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cc1,CHEMBL3669517,5.91
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc(-c3nccs3)cn1)CC2,CHEMBL3669565,6.15
+O=C1N(Cc2ccc(-c3ncccn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669509,5.86
+Cc1nc2ccccn2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669488,6.33
+COc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1,CHEMBL3669460,5.93
+CNc1c(C=N)cccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669515,6.94
+N#Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669531,6.85
+O=C1N(Cc2cncn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669526,6.71
+N=C(/C=C\c1ncc[nH]1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,CHEMBL3669572,6.74
+O=C1N(Cc2ccccc2-c2ncccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669556,6.17
+Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccn1,CHEMBL3669485,6.08
+CNc1ccccc1C(=N)CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669548,6.67
+N=CC(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccn1,CHEMBL3669494,6.63
+Cc1cc(C)nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669514,5.87
+Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,CHEMBL3680365,8.38
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,CHEMBL3680366,8.0
+Cc1cc(OCC2COCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,CHEMBL3680371,7.96
+Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,CHEMBL3680363,8.01
+CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3680364,7.55
+Cc1cc(OCC2CCCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,CHEMBL3680362,8.0
+Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,CHEMBL3680368,8.42
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,CHEMBL3680369,7.85
+Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)COCC2C)c1,CHEMBL3680370,8.06
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCCC(COc3ccc(F)c(C)c3)C2)c1,CHEMBL3680360,8.1
+Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,CHEMBL3680361,8.48
+Cc1ccc(-c2ncco2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,CHEMBL3680367,7.89
+C[C@@H]1CC[C@@H](Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3694265,7.74
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Nc3nccc4ccccc34)CC[C@H]2C)c1,CHEMBL3694264,9.25
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740873,9.0
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741978,8.7
+COc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3742392,9.1
+COc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3742141,7.6
+COc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740284,8.0
+COc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3739510,8.2
+COc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740976,7.1
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3OC)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741373,8.2
+COc1ccc(N2C(=O)N(Cc3c(F)cc(C)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741094,9.1
+COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3742398,9.3
+COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(Cl)c1,CHEMBL3741853,10.0
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cnc1OC,CHEMBL3741125,8.3
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc(OC)n1,CHEMBL3741648,8.9
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cnc1OC,CHEMBL3741721,8.8
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)ccn1,CHEMBL3742143,7.2
+COc1cc(F)c(CN2C(=O)N(c3cc(OC)nc(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3740971,9.6
+COc1cc(F)c(CN2C(=O)N(c3cnc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3741474,9.4
+COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)n3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3740471,9.7
+CNc1cc(N2C(=O)N(Cc3c(F)cc(OC)cc3F)c3ncccc3S2(=O)=O)cnc1OC,CHEMBL3739451,9.2
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)nc1OC,CHEMBL3741584,8.8
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC,CHEMBL3740099,8.6
+COc1ccc(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3742402,6.6
+Cc1nc(C(=O)N2CCCCC2CCOc2ccc(F)cc2)c(-c2ccccc2)s1,CHEMBL3771050,8.4
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1,CHEMBL3769978,7.66
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1,CHEMBL3770503,10.0
diff --git a/chembl_200/CHEMBL4794.csv b/chembl_200/CHEMBL4794.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f788e4649b13a1bb42794424c6198109a4ebb612
--- /dev/null
+++ b/chembl_200/CHEMBL4794.csv
@@ -0,0 +1,596 @@
+C=C(C)[C@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(CNC(=S)NCc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL27105,6.83
+C=C(C)[C@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(CNC(=S)Nc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL285922,7.18
+O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12,CHEMBL440535,5.74
+O=C(NCc1ccccc1)Nc1cccc2ccc(O)cc12,CHEMBL139989,7.03
+CC(NC(=O)Nc1cccc2ccc(O)cc12)c1ccc(C(F)(F)F)cc1,CHEMBL357738,8.4
+CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccc(O)cc12,CHEMBL405658,6.24
+O=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12,CHEMBL151298,9.0
+O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12,CHEMBL348001,8.34
+CCN(Cc1ccccc1)C(=O)Nc1cccc2ccc(O)cc12,CHEMBL151378,5.95
+O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2ccc(O)cc12,CHEMBL151446,8.68
+O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2ccc(O)cc12,CHEMBL147068,9.0
+Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2,CHEMBL391997,6.92
+O=C(CCc1ccc(Cl)cc1)Nc1cccc2ccc(O)cc12,CHEMBL151442,8.01
+O=C(Nc1cccc2ccc(O)cc12)N(Cc1ccccc1)Cc1ccccc1,CHEMBL151657,5.48
+O=C(NCCc1ccccc1)Nc1cccc2ccc(O)cc12,CHEMBL147022,7.28
+O=C(NCc1ccc(F)c(F)c1)Nc1cccc2ccc(O)cc12,CHEMBL342300,8.15
+O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccc(O)cc12,CHEMBL148920,9.0
+O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12,CHEMBL147028,8.55
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12,CHEMBL358953,8.7
+O=C(NCc1ccc(Cl)cc1)Nc1cccc2cnccc12,CHEMBL102010,7.51
+CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1,CHEMBL104623,8.4
+O=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12,CHEMBL103590,7.77
+O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cnccc12,CHEMBL102486,9.1
+O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc2cnccc12,CHEMBL320906,8.85
+COc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1,CHEMBL103898,5.89
+O=C(NCCc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12,CHEMBL317045,7.39
+O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12,CHEMBL317011,7.72
+O=C(/C=C/c1ccccc1)Nc1cccc2cnccc12,CHEMBL106391,6.4
+O=C(NCCc1ccc(OC(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL105252,8.22
+O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL104445,7.22
+CCCCc1ccc(NC(=O)Nc2cccc3cnccc23)cc1,CHEMBL105694,6.48
+O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL104892,6.8
+O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL103063,7.66
+COc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1,CHEMBL323352,6.71
+O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12,CHEMBL322396,7.64
+CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc3cnccc23)cc1,CHEMBL105046,8.92
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12,CHEMBL104176,7.77
+CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1,CHEMBL419351,8.89
+O=C(CCc1ccc(Cl)cc1)Nc1cccc2cnccc12,CHEMBL105101,7.01
+CCCCCc1ccc(C(=O)Nc2cccc3cnccc23)cc1,CHEMBL102073,7.15
+O=C(NCCc1ccccc1)Nc1cccc2cnccc12,CHEMBL103842,5.84
+O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL101751,8.89
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12,CHEMBL104757,8.05
+CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1,CHEMBL319037,7.96
+C=C(C)[C@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL18246,8.85
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(OC)c(O)cc1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL18441,9.15
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(OC)c(OC(C)=O)cc1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL18058,8.84
+O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1,CHEMBL179739,7.42
+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL388824,7.59
+COc1ccc(C(C)CNC(=O)Nc2cccc3cnccc23)cc1,CHEMBL249943,5.89
+O=C(NCC(Cc1ccccc1)c1ccc(F)cc1)Nc1cccc2cnccc12,CHEMBL250370,8.1
+O=C(NCC(Cc1ccccc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12,CHEMBL398671,8.4
+COc1ccc(C(CNC(=O)Nc2cccc3cnccc23)Cc2ccccc2)cc1,CHEMBL250368,8.22
+COc1ccc(C(CNC(=O)Nc2cccc3cnccc23)Cc2cccnc2)cc1,CHEMBL250169,6.24
+O=C(NCC(Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)Nc1cccc2cnccc12,CHEMBL250983,7.7
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1ccccc1,CHEMBL250149,8.52
+O=C(Nc1cccc2cnccc12)NC1CCc2ccccc2C1Cc1ccccc1,CHEMBL249946,8.4
+O=C(Nc1cccc2ccc(O)cc12)NC1CCc2cc(F)ccc2C1Cc1ccc(C(F)(F)F)cc1,CHEMBL249739,7.66
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3ccc(O)cc13)C2Cc1ccccc1,CHEMBL251195,8.0
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1cccc(Cl)c1,CHEMBL400312,8.7
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1Cc1ccc(C(F)(F)F)cc1,CHEMBL250594,9.0
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1ccc(Br)cc1,CHEMBL250593,9.0
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1ccc(C#N)cc1,CHEMBL399277,7.77
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1ccc(C(F)(F)F)cc1,CHEMBL436638,8.7
+COc1ccc(CC2c3ccc(OC)cc3CCC2NC(=O)Nc2cccc3cnccc23)cc1,CHEMBL248762,8.1
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(O)ccc2C1Cc1ccccc1,CHEMBL248761,6.55
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1CC1CC1,CHEMBL248561,9.1
+C=CCC1c2ccc(F)cc2CCC1NC(=O)Nc1cccc2cnccc12,CHEMBL251182,8.7
+COc1ccc2c(c1)CCC(NC(=O)Nc1cccc3cnccc13)C2Cc1cccnc1,CHEMBL399535,5.81
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1Cc1ccoc1,CHEMBL428057,7.8
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1Cc1cccs1,CHEMBL251181,8.4
+COc1cc2c(cc1OC)C(Cc1ccccc1)C(NC(=O)Nc1cccc3cnccc13)CC2,CHEMBL251582,7.7
+O=C(Nc1cccc2cnccc12)NC1CCc2ccc(Cl)cc2C1Cc1ccccc1,CHEMBL250762,8.3
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(Cl)ccc2C1Cc1ccccc1,CHEMBL250761,7.96
+O=C(Nc1cccc2cnccc12)NC1CCc2c(Cl)cccc2C1Cc1ccccc1,CHEMBL400069,8.7
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(Br)ccc2C1Cc1ccccc1,CHEMBL250558,8.7
+O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1Cc1ccccc1,CHEMBL250557,8.4
+CCCCc1ccc(C(=O)Nc2cccnc2)cc1,CHEMBL259396,6.2
+CN(CC1CCCCC1)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL405387,7.8
+CCCN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCCC1,CHEMBL407231,7.07
+O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CCCCC2)cc1,CHEMBL406573,6.81
+CN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCCC1,CHEMBL408401,8.1
+CCCCCCCCCCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL259115,5.83
+CCCCCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL407233,7.64
+CCCCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL259017,7.82
+CCCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL261766,7.62
+CCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL408637,7.15
+CCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL260356,7.42
+CCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL258915,7.08
+CCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL260448,6.57
+CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL258917,7.62
+CCCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL261848,6.01
+CCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL406859,5.68
+CCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL406860,5.45
+CCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL258623,6.72
+CCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL259600,7.22
+CCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1,CHEMBL259385,7.28
+CCCCc1ccc(C(=O)Nc2cccc3cnccc23)cc1,CHEMBL407762,7.14
+CCCCc1ccc(C(=O)Nc2cccc3ccc(O)cc23)cc1,CHEMBL259601,7.54
+CCCCc1ccc(C(=O)Nc2ccccc2)cc1,CHEMBL260465,5.2
+CCCCCc1ccc(CC(=O)Nc2cccnc2)cc1,CHEMBL260464,5.14
+CCCCCc1ccc(C(=O)N(C)c2cccnc2)cc1,CHEMBL259101,4.82
+CCCCCCCCCCc1ccc(C(=O)Nc2cccnc2)cc1,CHEMBL259102,6.22
+CCCCCCCCc1ccc(C(=O)Nc2cccnc2)cc1,CHEMBL405990,6.26
+CCCCCc1ccc(C(=O)Nc2cccnc2)cc1,CHEMBL321932,6.38
+CCCCCCCc1ccc(C(=O)Nc2cccnc2)cc1,CHEMBL263921,5.76
+O=C1COc2ccc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1,CHEMBL497485,7.19
+O=C1COc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2N1,CHEMBL457186,7.31
+O=C1COc2ccc(NC(=O)C3CCN(c4cc(F)cc(F)c4)CC3)cc2N1,CHEMBL449104,6.86
+Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,CHEMBL456333,6.5
+O=C1COc2ccc(NC(=O)C3CCN(c4ccc(F)c(F)c4)CC3)cc2N1,CHEMBL455902,7.25
+CC(C)(C)c1ccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1,CHEMBL457174,6.85
+Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C,CHEMBL515049,7.55
+Cc1c(Cl)cccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL509259,7.0
+O=C1COc2ccc(NC(=O)C3CCN(c4cccc(F)c4Br)CC3)cc2N1,CHEMBL464384,7.09
+CC(C)c1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL517013,7.11
+CCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL464180,6.9
+Cc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1,CHEMBL455958,7.21
+O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4C(F)(F)F)CC3)cc2N1,CHEMBL509968,7.17
+O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4Br)CC3)cc2N1,CHEMBL458490,7.15
+O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4Cl)CC3)cc2N1,CHEMBL509498,7.03
+O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4F)CC3)cc2N1,CHEMBL455927,5.83
+Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1,CHEMBL455926,6.65
+O=C1COc2ccc(NC(=O)C3CCN(c4cccc(Cl)c4)CC3)cc2N1,CHEMBL497662,7.01
+O=C1COc2ccc(NC(=O)C3CCN(c4cccc(F)c4)CC3)cc2N1,CHEMBL498328,7.08
+COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,CHEMBL294199,8.22
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)O[C@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177401,8.84
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177400,8.89
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177399,8.06
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177398,8.55
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)CC1C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177397,8.39
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179154,8.68
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccn2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179153,8.85
+COc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1,CHEMBL2179152,8.6
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179151,8.64
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179150,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179149,8.62
+Cc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1,CHEMBL2179148,8.48
+Cc1cccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)c1,CHEMBL2179147,8.47
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179146,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179145,7.67
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2179144,6.84
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177419,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177418,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC1)CC(c1ccccc1)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177417,8.21
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC1)CC(C(C)(C)C)=NO2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177416,8.42
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Nc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177108,8.36
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(CN(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177415,8.68
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(OC(=O)C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177414,8.7
+CC(=O)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177413,8.4
+CC(C)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177412,8.52
+CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177411,8.46
+COCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177410,8.85
+CCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177409,8.89
+COC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177408,8.62
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(=O)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177406,7.04
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177405,9.31
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177404,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177403,8.41
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177402,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccc(F)c(F)c2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178059,9.7
+Cc1ccc(CC2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1,CHEMBL2177441,9.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177440,9.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177439,8.62
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177438,8.38
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177437,8.77
+C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177436,8.12
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177435,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177434,9.22
+CC1CC(C)CN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C1,CHEMBL2177433,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177432,9.52
+CCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177431,8.82
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2177430,8.01
+CC1CCCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C1,CHEMBL2177427,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177426,8.54
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=CCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177425,9.52
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177424,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177423,9.37
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177422,8.3
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177421,8.15
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2177420,7.96
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@H](N(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178074,6.99
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](N(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178073,7.0
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](OCc2ccccc2)C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178072,8.85
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C(=O)OC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178071,8.59
+CC1CCCN1c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178068,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178067,9.22
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178066,9.05
+CCCCN(C)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178065,9.1
+CCCCN(CCCC)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178064,9.22
+CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178063,9.7
+CCN(CC)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178062,8.46
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178061,7.72
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178085,7.18
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178084,7.8
+Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178083,7.85
+Cc1ccc(Nc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C,CHEMBL2178082,7.41
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178081,7.41
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178080,7.22
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178079,7.71
+CC1CCC(Nc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2178078,7.57
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1NC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178077,7.69
+CCCCNc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2178076,8.04
+O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCOCC1)Nc1ccc2cccnc2c1,CHEMBL191247,8.92
+O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1,CHEMBL190874,8.36
+CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385408,9.42
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385223,9.3
+COc1cc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc(OC)c1,CHEMBL2385238,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385237,8.59
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(F)cc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385236,9.0
+COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1,CHEMBL2385235,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385234,8.31
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385233,9.1
+COc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2385232,8.59
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385231,8.49
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385230,8.6
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385229,8.6
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385228,8.68
+CCCCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2385227,7.8
+CCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2385226,8.43
+Cc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2385225,8.82
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385224,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCC1CCCCN1C(=O)OC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385220,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385219,8.47
+CC1CCC(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2385251,9.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385250,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385249,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385248,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CC1(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385247,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385246,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385082,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385244,8.89
+CC1CC(C)CC(Oc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C1,CHEMBL2385242,8.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385241,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385240,8.11
+CCC1CCC(Oc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2385239,8.32
+CC1CCC(Oc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2385419,8.54
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385418,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385417,8.89
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385416,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385415,8.85
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385410,9.05
+CC(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385409,9.1
+CC(C)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385407,8.68
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCCOc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385406,8.82
+CCOCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385405,8.01
+CC/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385255,9.0
+C/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385254,8.8
+CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385426,9.4
+CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385425,9.3
+CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385424,9.15
+CCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385423,9.52
+CCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385422,9.05
+CCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385421,7.9
+CCC(CC)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385411,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccncc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385218,7.29
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385217,6.85
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385216,7.53
+Cc1ccc(Oc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2385222,8.55
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385221,8.19
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385245,8.57
+CC(C)CC(CC(C)C)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385414,9.15
+CCCCC(CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385413,9.3
+CCCC(CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385412,9.15
+COCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385404,7.82
+CCOCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385257,7.3
+COCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385256,7.31
+COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2385420,7.16
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(F)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425544,6.08
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(I)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425543,5.87
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(Br)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425546,6.425
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(I)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL595069,8.08
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1ccc(NS(C)(=O)=O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425551,7.09
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1ccc(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425550,6.85
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(F)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425547,6.86
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442928,8.72
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442925,8.41
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccccc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442924,8.31
+COc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2442923,8.64
+Cc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL2442922,8.49
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442921,8.06
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442920,8.64
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442919,8.59
+CC1CCC(Sc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2442916,9.3
+COC(=O)CCSc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442908,7.32
+CC1CCN(CCCSc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2442905,8.54
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442904,8.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442903,8.48
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442902,7.56
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCOc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442900,8.64
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCCBr)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442899,8.15
+CC(C)CCSc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442897,9.15
+CCCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442896,8.25
+CCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442895,8.6
+CCCCSc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442894,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442927,7.82
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccco1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442926,7.84
+CCC1CCC(Sc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL2442918,9.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442917,8.72
+C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442913,7.36
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442911,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442910,8.92
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCCC(=O)N1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442909,7.07
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCC(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2442898,8.37
+CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL3099611,6.995
+COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL3099609,8.18
+COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL3099608,8.51
+COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL392584,8.21
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314377,9.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Br)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314378,6.77
+Cc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314379,6.41
+CCCc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314380,7.64
+CCCCCc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3313936,9.0
+CCCCCCc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314381,8.8
+CC(C)CCCc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314382,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314383,9.22
+CC(C)=Cc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314384,7.94
+CCC/C=C/c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314385,9.05
+CCC/C=C\c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314386,8.68
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314387,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314388,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314389,9.54
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314390,9.52
+CC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314391,9.4
+CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314392,9.52
+CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314393,9.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314394,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314395,8.89
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314396,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314397,9.4
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314398,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(F)(F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314399,8.82
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CC2CCC1C2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314400,8.82
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CC2CCC1C2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314401,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314402,9.15
+CC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314403,9.52
+CC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314404,9.7
+CC1C=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CCC1,CHEMBL3314405,9.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@H](C)CCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314406,10.0
+CCC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3314407,10.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314408,9.7
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314409,10.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314410,9.7
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3314411,10.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317498,8.74
+Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3317497,9.22
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1C#Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317496,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317495,8.66
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317494,8.85
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317493,6.85
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cc2ccccc2s1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317492,9.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2cc[nH]c2c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317491,7.69
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-n1ccnc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317488,7.44
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccoc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317487,8.85
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccco1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317486,8.24
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccsc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317485,8.7
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317484,9.52
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCO2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317483,8.47
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCCO2)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317482,8.3
+COc1cc(OC)cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1,CHEMBL3317481,7.24
+COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1OC,CHEMBL3317480,7.59
+COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1F,CHEMBL3317479,8.38
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317478,9.05
+Cc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1F,CHEMBL3317477,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3317476,9.46
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319115,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(N(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319114,8.49
+COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3319113,9.0
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319112,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319111,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1F)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319110,7.2
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319109,8.89
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3319107,8.19
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3nccnc23)CC1,CHEMBL3393842,7.32
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cncc3ccccc23)CC1,CHEMBL3393840,8.74
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ncccc23)CC1,CHEMBL3393838,9.15
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccncc23)CC1,CHEMBL3393836,9.4
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cccnc23)CC1,CHEMBL3393835,7.04
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cncnc3c2)CC1,CHEMBL3393833,8.11
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cnncc3c2)CC1,CHEMBL3393832,8.05
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cnc3ccccc3c2)CC1,CHEMBL3393830,8.02
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cnccc3c2)CC1,CHEMBL3393828,8.14
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccncc3c2)CC1,CHEMBL3393827,8.08
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cccnc3c2)CC1,CHEMBL3393826,8.15
+CC(C(=O)NCc1cnc(C(F)(F)F)cc1-c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407960,7.49
+CC(C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407959,7.54
+Cc1cc(C(F)(F)F)nc(OC2CCCC2)c1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407957,7.36
+CCCCCCOc1nc(C(F)(F)F)cc(C)c1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407956,7.0
+Cc1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)c1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407955,8.04
+Cc1cc(C(F)(F)F)nc(N2CCC(C)CC2)c1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407954,7.76
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407953,8.52
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407952,8.38
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407951,7.84
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407950,9.05
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407949,9.05
+CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407764,9.22
+CCCCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407763,9.1
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407761,9.1
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407760,9.3
+CC1CC(C)CN(c2nc(C(F)(F)Cl)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C1,CHEMBL3407759,9.0
+CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407758,9.22
+CC(C(=O)NCc1ccc(C2CC2)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407757,8.96
+CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3407756,8.89
+CC1CCN(c2nc(-c3ccc(F)cc3)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3407755,7.23
+CC1CCN(c2nc(C3CC3)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3407754,9.05
+CC1CCN(c2nc(C(F)(F)Cl)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3407753,9.52
+CC1CCN(c2nc(C(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3407752,9.0
+Cc1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c(N2CCC(C)CC2)n1,CHEMBL3407751,7.14
+CCC(C)(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3427120,6.91
+CC(C)(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3427119,7.18
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427118,7.31
+Cc1ccc(CC(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3427117,7.39
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(Cc2ccc(F)cc2)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427114,7.31
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(Cc2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427112,7.18
+Cc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3427111,8.12
+Cc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3425527,8.96
+Cc1cccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1,CHEMBL3427110,7.25
+Cc1cccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1,CHEMBL3427109,9.8
+Cc1ccccc1C(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3427107,7.37
+CS(=O)(=O)Nc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(F)cc2)cc1F,CHEMBL3427106,7.42
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427105,8.47
+CS(=O)(=O)Nc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2cccc(F)c2)cc1F,CHEMBL3427104,7.31
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2cccc(F)c2)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427103,8.62
+CS(=O)(=O)Nc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccccc2)cc1F,CHEMBL3427102,7.2
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3427101,8.89
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccc(NS(C)(=O)=O)c(F)c2)C2CCCCC2)CC1,CHEMBL3427099,7.51
+CS(=O)(=O)Nc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCC2)cc1F,CHEMBL3427098,6.99
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccc(NS(C)(=O)=O)c(F)c2)C2CCCC2)CC1,CHEMBL3427097,7.05
+CCC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3427096,8.8
+CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1,CHEMBL2364618,8.19
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629228,9.22
+COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3629229,9.1
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629230,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629231,8.72
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629232,9.0
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629233,9.22
+COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1OC,CHEMBL3629234,8.07
+COc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1,CHEMBL3629235,8.24
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629236,7.23
+C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627952,7.86
+Cc1ccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1,CHEMBL3629501,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629500,8.7
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629499,7.86
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2cccc(F)c2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629498,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629497,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629496,8.85
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629495,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629494,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629493,8.89
+CCC1CCN(c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3629492,9.15
+CC1CCN(c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3629491,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629490,8.55
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629489,8.8
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629488,8.77
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629487,8.64
+CCCN(CCC)c1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629486,9.52
+CCCCN(C)c1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629361,8.92
+CCCCCc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629227,9.4
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627942,9.15
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627941,9.22
+CC(C)CCOc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627940,9.3
+CC(C)COc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627939,9.1
+CCCCCCOc1cc(C(C)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627938,9.1
+CCCCCOc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627937,9.15
+CCCCOc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627936,9.0
+CCCOc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627935,8.7
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627934,8.14
+COc1ccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1,CHEMBL3627933,8.8
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627932,8.41
+Cc1cccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)c1,CHEMBL3627931,8.74
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629225,8.4
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1F)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629224,7.16
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccco1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629223,8.49
+COc1ccc(CSc2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3629222,8.64
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3629221,9.05
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627954,8.96
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627953,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627951,9.3
+CC(C)CCSc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627948,8.85
+CCCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627947,8.74
+CCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627946,8.64
+CCCCSc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627945,8.72
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627944,9.3
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3627943,9.05
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(CNS(C)(=O)=O)c2)CC1,CHEMBL3694596,6.99
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(CNS(C)(=O)=O)cc1,CHEMBL3694597,7.7
+CS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1,CHEMBL3694598,7.59
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1,CHEMBL3694599,8.4
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)cc2)CC1,CHEMBL3694600,7.96
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)CC1,CHEMBL3694601,8.123
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(CNS(C)(=O)=O)c(Cl)c1,CHEMBL3694602,7.1
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(Cl)c2)CC1,CHEMBL3694603,8.3
+COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)ccc1CNS(C)(=O)=O,CHEMBL3694604,7.06
+COc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1CNS(C)(=O)=O,CHEMBL3694605,7.92
+Cc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)ccc1CNS(C)(=O)=O,CHEMBL3694606,7.3
+Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)ccc1CNS(C)(=O)=O,CHEMBL3694607,7.34
+Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1CNS(C)(=O)=O,CHEMBL3694608,8.3
+CCS(=O)(=O)NCc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F,CHEMBL3694609,7.12
+CCS(=O)(=O)NCc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F,CHEMBL3694610,8.4
+NS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1,CHEMBL3694611,7.07
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)cc2)CC1,CHEMBL3694612,9.0
+NS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F,CHEMBL3694613,7.7
+Cc1ccc(CNC(=O)Nc2ccc(CNS(N)(=O)=O)c(F)c2)c(N2CCC(C)CC2)n1,CHEMBL3694614,9.0
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CN(C)S(C)(=O)=O)c(F)c2)CC1,CHEMBL3694616,7.26
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(N)(=O)=O)c(F)c2)CC1,CHEMBL3694615,8.4
+CCCCCCn1nc(C(C)(C)C)cc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3684330,7.3
+CCCCCCn1nc(C(C)(C)C)cc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3684331,7.56
+CC(C(=O)NCc1cc(C(C)(C)C)nn1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3684332,7.67
+Cc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3684333,8.1
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689033,7.12
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689034,8.43
+C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689035,8.68
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689036,9.52
+C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689037,10.0
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689038,9.3
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689041,9.52
+C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689042,7.5
+C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689043,9.52
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689044,9.52
+C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689045,7.58
+C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689046,10.0
+COc1cc(C(C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O,CHEMBL3689047,8.66
+COc1cc(C(C)C(=O)NCc2cc(C(F)(F)F)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O,CHEMBL3689048,9.4
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cc(F)c(NS(C)(=O)=O)c(F)c1,CHEMBL3689049,8.92
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cc(F)cc(F)c1,CHEMBL3689050,8.2
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3689051,8.4
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(=O)Nc2ccccc2)c(F)c1,CHEMBL3689052,8.14
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,CHEMBL3689053,9.1
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1,CHEMBL3689054,7.07
+COc1c(F)cc(C(C)C(=O)NCc2cc(C(F)(F)F)nn2-c2cccc(Cl)c2)cc1F,CHEMBL3689055,7.77
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1,CHEMBL3689056,6.94
+O=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1,CHEMBL3689057,7.29
+CC(C)(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc(F)c1,CHEMBL3689058,7.25
+O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)C1(c2cccc(F)c2)CCC1,CHEMBL3689059,6.97
+O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1ccc(C2CC2)c(F)c1,CHEMBL3689060,7.5
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3689061,7.24
+CC(C(=O)NCc1cc(C2CC2)nn1-c1cccc(Cl)c1)c1ccc(CS(C)(=O)=O)c(F)c1,CHEMBL3689062,7.79
+CC(C(=O)NCc1cc(C(F)(F)F)nn1NCc1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3689063,7.2
+Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1CNC(=O)Cc1cccc(F)c1,CHEMBL3689064,6.95
+Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1CNC(=O)C(C)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3689065,8.6
+CC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3689066,7.19
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1,CHEMBL3689067,7.87
+O=C(Cc1cc(F)c(O)c(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1,CHEMBL3689068,7.59
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1,CHEMBL3695679,8.0
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)cc2)c1,CHEMBL3695680,7.18
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3695681,7.51
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3695682,8.3
+C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(CNS(C)(=O)=O)c(F)c1,CHEMBL3695683,8.4
+Cc1cccc(-c2nc(C3CC3)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695684,7.35
+Cc1cccc(-c2cc(C(C)(C)C)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695685,7.43
+Cc1cccc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695686,7.64
+Cc1cccc(-c2nc(C(C)(C)C)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695687,7.62
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695699,8.22
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695700,7.82
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)c1,CHEMBL3695688,8.0
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNC(=O)OC(C)(C)C)c(Cl)c2)c1,CHEMBL3695689,8.52
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(Cl)c2)c1,CHEMBL3695690,7.14
+COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2-c2cccc(C)c2)ccc1CNC(=O)OC(C)(C)C,CHEMBL3695691,8.15
+COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2-c2cccc(C)c2)ccc1CNS(C)(=O)=O,CHEMBL3695692,7.64
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(C)c2)c1,CHEMBL3695693,7.13
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)cc2)c1,CHEMBL3695694,8.05
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(N)(=O)=O)c(F)c2)c1,CHEMBL3695695,8.52
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)c(F)c2)c1,CHEMBL3695696,8.22
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(N)(=O)=O)cc2)c1,CHEMBL3695697,8.15
+Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(C)c2)c1,CHEMBL3695698,8.4
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(Br)c(O)c(Br)c2)CC1,CHEMBL3681228,8.96
+C=CC(=O)Nc1c(F)cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1I,CHEMBL3685849,8.32
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(F)c2)CC1,CHEMBL3681224,7.47
+COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1O,CHEMBL3681230,10.0
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)c(O)c(Br)c2)CC1,CHEMBL3681232,9.52
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(Br)c(N)c(Br)c2)CC1,CHEMBL3681229,9.05
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2c(F)cccc2F)CC1,CHEMBL3681225,7.42
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(O)c([N+](=O)[O-])c(F)c2)CC1,CHEMBL3685848,8.1
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)cc(F)c2)CC1,CHEMBL3681227,7.61
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)ccc2F)CC1,CHEMBL3681226,7.52
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(N)c(F)c2)CC1,CHEMBL3681235,8.02
+CC(=O)Nc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F,CHEMBL3681234,7.6
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)c(N)c(Br)c2)CC1,CHEMBL3681231,9.15
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)cc(Br)c2)CC1,CHEMBL3681233,7.39
+COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1N,CHEMBL3681223,8.36
+Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1,CHEMBL3770685,8.315
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3770984,8.61
+Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccccc2)cc1,CHEMBL3769458,8.495
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3771102,8.38
+CCCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3771317,8.28
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)C(C)C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3771109,7.975
+CCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3770362,7.67
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3770027,8.465
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3770191,8.035
+CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3771342,7.98
+CC1CCN(c2nc(C(F)(F)F)ccc2CCNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3823425,7.145
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(NS(C)(=O)=O)c(F)c2)CC1,CHEMBL3824160,6.955
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diff --git a/chembl_200/CHEMBL4822.csv b/chembl_200/CHEMBL4822.csv
new file mode 100644
index 0000000000000000000000000000000000000000..457a08f944715b3aa031582028c19239d7a0e73f
--- /dev/null
+++ b/chembl_200/CHEMBL4822.csv
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+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1,CHEMBL260635,6.09
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+COc1cccc(CN2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(N(C)C)c3)NC2=O)c1,CHEMBL261655,6.35
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3)C(=O)N2)c1,CHEMBL410666,5.09
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cc(Br)cc(Br)c3)C(=O)N2)c1,CHEMBL442807,5.46
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+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1,CHEMBL441728,5.17
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1,CHEMBL260173,5.45
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1,CHEMBL411237,5.17
+CCCCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(N(C)C)c2)NC1=O,CHEMBL260174,4.4
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CNC(=O)N2)c1,CHEMBL409665,4.72
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1,CHEMBL411124,6.55
+CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(Cc3ccccc3)C(=O)N2)c1,CHEMBL408948,5.52
+C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O,CHEMBL243148,5.96
+C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O,CHEMBL496451,4.97
+C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O,CHEMBL455679,5.52
+C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O,CHEMBL453642,5.41
+C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O,CHEMBL243796,5.14
+Nc1ccc(S(=O)(=O)N(CCCNCCCN(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)Cc2ccccc2)cc1,CHEMBL510829,4.19
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+O=C(Nc1ccncc1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL578437,6.53
+O=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL572940,6.68
+O=C(Nc1nc(-c2ccncc2)c[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL575567,6.46
+O=C(Nc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL573162,6.53
+O=C(Nc1nc2ccncc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL575326,6.51
+O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL568035,6.61
+C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNC2CC2)c1)c1ccc(F)cc1,CHEMBL591428,8.0
+CN1C(=O)C(c2ccccc2)(c2cccc(Cl)c2)N=C1N,CHEMBL578410,6.52
+CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)OCc1ccccc1)C(=O)NCc1ccccc1,CHEMBL591371,7.7
+CCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL591699,8.68
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+C=CCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL591478,8.48
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+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2)c1,CHEMBL1097325,7.38
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(OC)c3)CCN2)c1,CHEMBL1097326,7.7
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CCN2)c1,CHEMBL1097327,6.92
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCN2)c1,CHEMBL1097328,6.51
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCN2)c1,CHEMBL1097329,7.14
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(OC)c(OC)c3)CCN2)c1,CHEMBL1097330,7.35
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cnc(C)n3C)CCN2)c1,CHEMBL1097331,8.52
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCN2)c1,CHEMBL1097332,8.15
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccs3)CCN2)c1,CHEMBL1097333,8.1
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccncc3)CCN2)c1,CHEMBL1097334,8.0
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cnoc3C)CCN2)c1,CHEMBL1097335,7.28
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3sc(C)nc3C)CCN2)c1,CHEMBL1097336,6.62
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3C)CCN2)c1,CHEMBL1097337,6.01
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCN2)c1,CHEMBL1097338,5.92
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccnc3)CCN2)c1,CHEMBL1097339,5.24
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(C)(=O)=O)CCN2)c1,CHEMBL1097340,7.14
+CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)CCC)CCN2)c1,CHEMBL1097341,7.02
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCN2)c1,CHEMBL1097342,9.1
+COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2)CCN1,CHEMBL1097343,8.52
+Cc1cccc(S(=O)(=O)N2CCN[C@@H]([C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)cc(N4CCCCS4(=O)=O)c3)C2)c1,CHEMBL1097344,9.0
+CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCN2)cc(N2CCCCS2(=O)=O)c1,CHEMBL1097345,9.0
+CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCN2)cc(N(C)S(C)(=O)=O)c1,CHEMBL1097346,9.0
+CCCCN1CC(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCN2)CC1=O,CHEMBL1097347,7.85
+CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2)CCN1,CHEMBL1087742,6.44
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)c1,CHEMBL1097348,9.0
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCN2)c1,CHEMBL1097349,9.0
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccccn3)CCN2)c1,CHEMBL1097350,8.7
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCN2)c1,CHEMBL1097351,9.0
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCN2)c1,CHEMBL1097352,8.7
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)CCN2)c1,CHEMBL1097353,9.0
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)C3CC3)CCN2)c1,CHEMBL1097354,8.15
+COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(C)(=O)=O)CCN2)c1,CHEMBL1097355,7.89
+NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3,CHEMBL1098733,8.3
+NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCOCC1)CCc1cccc(c1)O3,CHEMBL1097057,7.77
+CC(C)[C@@H]1CCC(=O)N(C2CCCCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(N)=N3,CHEMBL1098082,8.1
+NC1=Nc2ccc3cc2CN1[C@@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3,CHEMBL1098735,6.73
+NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3,CHEMBL1098734,7.51
+CC(C)[C@@H]1CCC(=O)N(C2CCOCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(N)=N3,CHEMBL1097058,7.66
+NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N([C@H]1CC[C@@H](C(=O)O)CC1)CCc1cccc(c1)O3,CHEMBL1097281,7.7
+NC1=Nc2cc(F)c3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3,CHEMBL1095429,8.1
+COc1cc2c3cc1Oc1cccc(c1)CCN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N(C3)C(N)=N2,CHEMBL1095430,7.92
+NC1=Nc2cnc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3,CHEMBL1095431,8.3
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL50,4.85
+Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(O)cc4O)cc2O3)c1,CHEMBL456228,5.14
+Oc1cc(O)cc(Oc2c(O)cc(O)cc2Oc2c(O)cc(O)cc2O)c1,CHEMBL1083394,4.92
+Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)c6c5Oc5c(O)cc(O)cc5O6)cc4O)cc2O3)c1,CHEMBL508791,5.82
+Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1,CHEMBL510508,5.89
+Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c1,CHEMBL471187,4.86
+Oc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1,CHEMBL559870,5.1
+CC(C)=CCc1c(-c2ccc(O)c3c2OC(C)(C)C=C3)oc2cc(O)cc(O)c2c1=O,CHEMBL1770312,4.97
+CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CHEMBL464006,4.19
+O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CHEMBL463145,4.08
+CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O,CHEMBL518543,5.66
+C[C@H](NC(=O)c1cc(-c2nc3ccccc3[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,CHEMBL1923700,5.98
+COc1ccc2nc(-c3cc(C(=O)N[C@@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)[nH]c2c1,CHEMBL1923701,6.28
+C[C@H](NC(=O)c1cc(-c2nc3ccc(F)cc3[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,CHEMBL1923702,6.12
+C[C@H](NC(=O)c1cc(-c2nc(-c3ccccc3)c[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,CHEMBL1923703,6.52
+COc1cccc(-c2c[nH]c(-c3cc(C(=O)N[C@@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)n2)c1,CHEMBL1923704,7.21
+C[C@H](NC(=O)c1cc(-c2nc(-c3cccc(F)c3)c[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1,CHEMBL1923705,6.74
+CC(C)(C)Nc1c(-c2ccc(-c3nc4ccccc4[nH]3)cc2)nc2ccccn12,CHEMBL1923706,5.27
+CC(C)(C)Nc1c(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)nc2ccccn12,CHEMBL1923707,5.62
+COc1ccc2nc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)[nH]c2c1,CHEMBL1923708,5.67
+CC(C)(C)Nc1c(-c2cccc(-c3nc4ccccc4[nH]3)c2)nc2ccccn12,CHEMBL1923709,6.31
+CC(C)(C)Nc1c(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)nc2ccccn12,CHEMBL1923749,6.52
+COc1ccc2nc(-c3cccc(-c4nc5ccccn5c4NC(C)(C)C)c3)[nH]c2c1,CHEMBL1923750,6.6
+c1cc(-c2cn3ccccc3n2)cc(-c2nc3ccccc3[nH]2)c1,CHEMBL1923751,6.03
+Fc1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1,CHEMBL1923752,7.47
+COc1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1,CHEMBL1923753,7.6
+Fc1ccc2nc(-c3cccc(-c4cn5ccc(F)cc5n4)c3)[nH]c2c1,CHEMBL1923754,7.77
+CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12,CHEMBL1412710,4.21
+COc1c2occc2c(OC/C=C(\C)CCC=C(C)C)c2ccc(=O)oc12,CHEMBL1934195,4.86
+COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011967,6.72
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccccc3)c2)N=C1N,CHEMBL2011966,5.48
+COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1,CHEMBL2011968,5.42
+CCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011969,6.34
+CN1C(=O)C(c2ccccc2)(c2cccc(F)c2)N=C1N,CHEMBL2011970,6.14
+Cc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1,CHEMBL2011971,6.26
+CN1C(=O)C(c2ccccc2)(c2cccc(C#N)c2)N=C1N,CHEMBL2011972,6.43
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccccn3)c2)N=C1N,CHEMBL2011973,5.72
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N,CHEMBL2011974,6.28
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccncc3)c2)N=C1N,CHEMBL2011975,5.42
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3cnccn3)c2)N=C1N,CHEMBL2011976,6.51
+Cc1cncc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011977,6.37
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N,CHEMBL2011978,6.33
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(F)c3)c2)N=C1N,CHEMBL2011979,6.54
+CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)N=C1N,CHEMBL2011980,7.05
+COc1cccc(-c2cccc([C@@]3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011981,7.1
+COc1cccc(-c2cccc([C@]3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011982,5.22
+CN1C(=O)[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N,CHEMBL2011983,6.96
+CN1C(=O)[C@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N,CHEMBL2011984,5.77
+CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,CHEMBL2011985,6.14
+CCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O,CHEMBL2011986,6.35
+CC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O,CHEMBL2011987,6.49
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N,CHEMBL2011988,7.33
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N,CHEMBL2011989,6.96
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)N=C1N,CHEMBL2011990,6.33
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCCC2)N=C1N,CHEMBL2011991,6.33
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2(C)CC2)N=C1N,CHEMBL2011992,6.72
+CN1C(=O)C(CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,CHEMBL2011993,6.46
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)N=C1N,CHEMBL2011994,6.07
+CN1C(=O)C(c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,CHEMBL2011995,6.77
+CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,CHEMBL2011997,6.08
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2ncccn2)N=C1N,CHEMBL2011998,5.92
+CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2nccs2)N=C1N,CHEMBL2011999,5.92
+CN1C(=O)C(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)N=C1N,CHEMBL2012000,7.52
+COc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2012001,7.0
+CN1C(=O)C(c2cccc(-c3cccc(C#N)c3)c2)(C2CC2)N=C1N,CHEMBL2012002,6.89
+CN1C(=O)C(c2cccc(-c3cccnc3)c2)(C2CC2)N=C1N,CHEMBL2012003,6.57
+COc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2012004,7.0
+CN1C(=O)C(c2cccc(-c3cncc(C#N)c3)c2)(C2CC2)N=C1N,CHEMBL2012005,6.57
+CN1C(=O)C(c2cccc(-c3cncc(F)c3)c2)(C2CC2)N=C1N,CHEMBL2012006,6.8
+CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N,CHEMBL2012069,7.23
+Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2011964,6.6
+CN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N,CHEMBL2011965,7.68
+CC#Cc1cncc(-c2cccc([C@@]3(C4CC4)N=C(N)N(C)C3=O)c2)c1,CHEMBL2012070,8.27
+CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2019055,8.8
+CN(C(=O)OC[C@@H](c1ccccc1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063197,6.11
+CN(C(=O)CC[C@@H](c1ccccc1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063196,6.79
+CN(C(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063198,7.43
+NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1,CHEMBL2063199,7.22
+CN(C(=O)OC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063200,6.98
+CN(C(=O)CC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063201,6.91
+Cc1nc(CN(C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2063202,5.83
+Cc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2063203,7.1
+Cc1nc(C(C)N(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2063204,6.98
+Cc1nc(CCN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2062533,6.97
+CC(C)c1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2063205,6.84
+COCc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1,CHEMBL2063206,7.89
+Cn1cc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cn1,CHEMBL2063207,7.96
+NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1,CHEMBL2063208,7.64
+Cc1[nH]ncc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1,CHEMBL2063209,7.41
+CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1,CHEMBL2151181,8.77
+CC#Cc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1,CHEMBL2151141,8.11
+CC#Cc1cncc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)c(Cl)s2)c1,CHEMBL2151182,8.1
+CC#Cc1cncc(-c2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1,CHEMBL2151179,7.48
+CC#Cc1cncc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)cs2)c1,CHEMBL2151180,7.33
+CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2151138,7.24
+CN1C(=O)C[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N,CHEMBL2151139,7.06
+CN1C(=O)C[C@@](C)(c2csc(-c3cccc(C#N)c3)c2)N=C1N,CHEMBL2151140,6.68
+COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1,CHEMBL1233206,6.57
+CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N=C1N,CHEMBL2151134,6.46
+CN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N,CHEMBL2151135,6.17
+CN1C(=O)C[C@@](c2ccccc2)(c2cccc(-c3cccc(C#N)c3)c2)N=C1N,CHEMBL2151136,5.02
+COc1cccc(-c2cccc([C@]3(c4ccccc4)CC(=O)N(C)C(N)=N3)c2)c1,CHEMBL2151040,4.66
+CN1C(=O)C[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N,CHEMBL2151137,4.36
+CCc1cn2c3c(cc(C(=O)N[C@H](CN[C@H](C(=O)NCC(C)C)[C@H](C)O)Cc4ccccc4)cc13)N(C)S(=O)(=O)CC2,CHEMBL2179136,8.14
+CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O,CHEMBL2179131,10.77
+CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CC1(CC1)S(=O)(=O)N2C)C(=O)NC(C)C,CHEMBL2179140,9.33
+CCc1cn2c3c(cc(C(=O)N[C@H](CN[C@H](C(=O)NCC(C)C)[C@H](C)O)Cc4ccccc4)cc13)N(C)S(=O)(=O)C1(CC1)C2,CHEMBL2179139,8.14
+CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CC(C)(C)S(=O)(=O)N2C)C(=O)NCC(C)C,CHEMBL2179138,10.44
+CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CCS(=O)(=O)N2C)C(=O)NCC(C)C,CHEMBL2179137,9.4
+CO[C@@H](C)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C,CHEMBL2179134,7.6
+CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O,CHEMBL2179132,7.01
+CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C,CHEMBL2179130,7.57
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CN3CCC3)c(Cl)c2)cc1,CHEMBL2178165,8.3
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CN3CCC3)c(Cl)c2)cc1,CHEMBL2178164,8.4
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(C)=O)c(Cl)c2)cc1,CHEMBL2178180,8.3
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(N)c(Cl)c2)cc1,CHEMBL2178178,7.4
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Cl)c2)cc1,CHEMBL2178200,6.17
+CCNCC(=O)Nc1c(C)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)nsc2C)cc1Cl,CHEMBL2178163,7.7
+CCNCC(=O)Nc1c(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)nsc2C)cc1Cl,CHEMBL2178162,8.0
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CNCc3ccccc3)c(Cl)c2)cc1,CHEMBL2178161,8.0
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CNCc3ccccc3)c(Cl)c2)cc1,CHEMBL2178195,8.22
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CN(C)C)c(Cl)c2)cc1,CHEMBL2178194,7.7
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CN(C)C)c(Cl)c2)cc1,CHEMBL2178193,7.7
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CN(C)C)c(Cl)c2)cc1,CHEMBL2178192,7.3
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CN(C)C)c(Cl)c2)cc1,CHEMBL2178191,7.3
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)c3ccco3)c(Cl)c2)cc1,CHEMBL2178190,7.22
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)C3CC3)c(Cl)c2)cc1,CHEMBL2178189,7.7
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)C3CC3)c(Cl)c2)cc1,CHEMBL2178188,7.3
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CS(C)(=O)=O)c(Cl)c2)cc1,CHEMBL2178187,7.52
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CCSC)c(Cl)c2)cc1,CHEMBL2178186,7.52
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CSC)c(Cl)c2)cc1,CHEMBL2178185,7.3
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)c3ccccc3)c(Cl)c2)cc1,CHEMBL2178184,7.52
+CCC(=O)Nc1c(C)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)cc1Cl,CHEMBL2178183,7.4
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(C)=O)c(Cl)c2)cc1,CHEMBL2178181,7.7
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(C)=O)c(Cl)c2)cc1,CHEMBL2178179,8.0
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Cl)c2)cc1,CHEMBL2178204,6.54
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NS(C)(=O)=O)c(Cl)c2)cc1,CHEMBL2178182,6.55
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(N)c(Cl)c2)cc1,CHEMBL2178177,6.92
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(O)c(Cl)c2)cc1,CHEMBL2178175,6.32
+COC/C=C/c1cc(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)c1,CHEMBL2178174,6.82
+CCC/C=C/c1cc(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)c1,CHEMBL2178173,6.07
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(/C=C/CCO)c2)cc1,CHEMBL2178172,6.85
+C=Cc1cc(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)c1,CHEMBL2178171,6.37
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(-c3cccnc3)c2)cc1,CHEMBL2178170,5.74
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(-c3ccsc3)c2)cc1,CHEMBL2178169,5.92
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(C)cc(C)c2)cc1,CHEMBL2178168,6.55
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Br)c2)cc1,CHEMBL2178167,6.57
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2ccc3ccccc3c2)cc1,CHEMBL2178166,6.06
+COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cccc3ccccc23)cc1,CHEMBL2178205,6.3
+COc1ccc(-c2c(C(=O)/N=C(\N)NCc3cc(Cl)cc(Cl)c3)c(C)nn2C)cc1,CHEMBL2178203,5.4
+COc1ccc(-c2n[nH]c(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Cl)c2)cc1,CHEMBL2178202,6.68
+COc1ccc(-c2onc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(Cl)c2)cc1,CHEMBL2178201,6.07
+Cc1onc(-c2ccc(F)cc2)c1C(=O)/N=C(\N)NCc1cc(Cl)cc(Cl)c1,CHEMBL2178199,5.66
+Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)NCc1cc(Cl)cc(Cl)c1,CHEMBL2178198,5.41
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2ccc(Cl)c(Cl)c2)cc1,CHEMBL2178197,6.04
+Cc1onc(-c2ccc(F)cc2)c1C(=O)/N=C(\N)NCc1ccc(Cl)c(Cl)c1,CHEMBL2178196,5.62
+Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)NCc1ccc(Cl)c(Cl)c1,CHEMBL2178752,5.06
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2ccccc2)cc1,CHEMBL2178751,5.4
+COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cccc3ccccc23)cc1,CHEMBL2177116,5.77
+Cc1onc(-c2ccc(F)cc2)c1C(=O)/N=C(\N)NCc1cccc2ccccc12,CHEMBL2178207,5.74
+Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)NCc1cccc2ccccc12,CHEMBL2178206,5.55
+Cc1cnc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)nc1,CHEMBL2178143,8.05
+CN1C(=O)[C@@H]2CN(c3ncc(Cl)cn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178719,8.15
+CN1C(=O)[C@@H]2CN(c3ncc(F)cn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178718,8.4
+CN1C(=O)[C@@H]2CN(c3ncccn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178717,7.96
+COc1cccc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)n1,CHEMBL2178715,9.0
+CN1C(=O)[C@@H]2CN(c3ccc(F)cn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178714,8.22
+CN1C(=O)[C@@H]2CN(c3ncccc3C#N)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178713,8.22
+COc1cccnc1N1C[C@H]2C(=O)N(C)C(N)=N[C@@]2(c2cc(-c3cccc(C#N)c3)cs2)C1,CHEMBL2178712,8.52
+CN1C(=O)[C@@H]2CN(c3ccccn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178153,8.1
+CC#Cc1cncc(-c2csc([C@]34CN(c5cccc(OC(C)C)c5)C[C@H]3C(=O)N(C)C(N)=N4)c2)c1,CHEMBL2178152,8.7
+CC(C)Oc1cccc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)c1,CHEMBL2178151,7.82
+CN1C(=O)[C@@H]2CN(c3ccc(F)cc3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178150,7.59
+CC#Cc1cncc(-c2csc([C@]34CN(C(=O)c5cccc(F)c5)C[C@H]3C(=O)N(C)C(N)=N4)c2)c1,CHEMBL2178147,9.0
+CN1C(=O)[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@]2(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N,CHEMBL2178146,8.7
+CN1C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178145,8.52
+CN1C(=O)[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N,CHEMBL2178716,7.19
+CN1C(=O)[C@@H]2CN(c3ccccc3)C[C@]2(c2ccc(-c3ccc(F)c(C#N)c3)s2)N=C1N,CHEMBL2178148,7.05
+CN1C(=O)[C@@H]2CN(c3ccc(F)cc3)C[C@]2(c2ccc(-c3ccc(F)c(C#N)c3)s2)N=C1N,CHEMBL2178149,6.88
+CSCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL3349192,5.6
+CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL2299407,5.03
+CSC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL2299406,4.3
+CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL2299405,5.23
+CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1,CHEMBL2299404,4.21
+CC(C)C[C@H](NCC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C,CHEMBL2299400,5.1
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(C)c1F,CHEMBL3261082,8.107999999999999
+CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)s2)c1,CHEMBL3259832,8.62
+CN1C(N)=N[C@@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)COC[C@H]2S1(=O)=O,CHEMBL3261056,7.57
+COC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O,CHEMBL498456,5.3
+COc1cc2oc3c(c(=O)c2c(O)c1C)-c1ccc(O)cc1OC3O,CHEMBL3287409,5.37
+O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL450745,5.16
+O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL382408,5.29
+CCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1,CHEMBL1231280,7.57
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N=C1N,CHEMBL3353630,4.39
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCC3CC3)C2)N=C1N,CHEMBL3354249,6.32
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCC3)C2)N=C1N,CHEMBL3354250,6.37
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCCC3)C2)N=C1N,CHEMBL3354251,6.64
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccccc3)C2)N=C1N,CHEMBL3354252,6.89
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3)C2)N=C1N,CHEMBL3354253,7.41
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Cc3ccccc3)C2)N=C1N,CHEMBL3354254,6.23
+CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccccc3)C2)N=C1N,CHEMBL3354255,7.8
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+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F,CHEMBL3640290,8.315
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3Cl)C2)nc(C)c1F,CHEMBL3640291,8.05
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(Cl)ccc3F)C2)nc(C)c1F,CHEMBL3640292,7.89
+CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O,CHEMBL3672916,9.02
+CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O,CHEMBL3672917,8.9
+CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,CHEMBL3301601,8.535
+Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)cn1,CHEMBL3672918,8.0
+COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)cn1,CHEMBL3672919,8.98
+Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)nc1,CHEMBL3672920,8.52
+CN1C(N)=N[C@](C)(c2cc(-c3cccc(C#N)c3)cs2)CS1(=O)=O,CHEMBL3672921,7.59
+CN1C(N)=N[C@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)CS1(=O)=O,CHEMBL3672922,7.34
+COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)cn1,CHEMBL3672923,8.79
+CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3703232,7.42
+CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3703233,6.93
+NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1,CHEMBL3703234,6.62
+CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C12COC2,CHEMBL3703235,7.29
+NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1,CHEMBL3703236,5.99
+NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1,CHEMBL3703237,6.42
+CC1(C)Oc2ccc(-c3cncnc3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3703253,6.86
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1,CHEMBL3703254,6.6
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)CO3)c1,CHEMBL3703255,6.68
+COc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1,CHEMBL3703282,6.59
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(CC)O3)c1,CHEMBL3703285,6.97
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(CCC)O3)c1,CHEMBL3703289,7.06
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(CCC(F)(F)F)O3)c1,CHEMBL3703291,6.06
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1,CHEMBL3703302,6.92
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1,CHEMBL3703303,7.04
+CC1(C)Oc2ccc(-c3cccc(Cl)c3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3650771,6.67
+CC1(C)Oc2ccc(-c3cc(F)cc(Cl)c3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3650778,6.73
+NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1,CHEMBL3650820,6.21
+CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3650821,7.08
+Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C1(COC(N)=N1)C1(CC1)CO2,CHEMBL3650822,6.67
+N#Cc1cnc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c(Cl)c1,CHEMBL3650823,6.55
+Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)C1(COC(N)=N1)C1(CC1)CO2,CHEMBL3650825,6.5
+Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C(C)(C)O2,CHEMBL3650826,7.19
+N#Cc1ccc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)nc1,CHEMBL3650827,6.47
+CC1(C)Oc2ccc(NC(=O)c3ccc(C#N)cn3)cc2C2(COC(N)=N2)C12COC2,CHEMBL3650828,7.14
+NC1=NC2(CO1)c1cc(-c3cncnc3)ccc1OC(Cc1ccccc1)C21COC1,CHEMBL3650831,6.995
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(Cc2ccccc2)O3)c1,CHEMBL3650832,7.16
+CC#Cc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(CC2CC2)O3)c1,CHEMBL3650834,7.08
+CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C12COC2,CHEMBL3650845,7.99
+CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C12COC2,CHEMBL3650846,7.99
+COc1cnc(C(=O)Nc2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1,CHEMBL3650847,7.37
+CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C12CC2,CHEMBL3650848,7.42
+CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2,CHEMBL3650849,7.04
+COc1cnc(C(=O)Nc2ccc3c(c2)[C@@]2(COC(N)=N2)C2(CC2)C(C)(C)O3)cn1,CHEMBL3650850,7.21
+CC1(C)Oc2ccc(NC(=O)c3cnc(C(F)F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2,CHEMBL3650851,7.28
+COc1cnc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1,CHEMBL3650852,7.1
+CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C12COC2,CHEMBL3650853,4.52
+CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(F)cn3)c2F)CS1(=O)=O,CHEMBL3702860,8.31
+CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)C(C)c2ccccc2)c1)C(=O)NCC(C)C,CHEMBL3664019,5.28
+CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)C(C)c2ccccc2)c1)C(C)O,CHEMBL3664018,5.24
+Cc1cc(C(=O)NC(Cc2ccccc2)C(O)CNC(C(=O)NCC(C)C)C(C)O)cc(C(=O)N(C)C(C)c2ccccc2)c1,CHEMBL3704770,5.78
+CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCCC2OC)c1)C(=O)NCC(C)C,CHEMBL3664020,6.57
+CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)C(C)c2ccccc2)c1)C(=O)NCC(C)C,CHEMBL3704768,6.25
+CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N2CCCC2OC)c1)C(=O)NCC(C)C,CHEMBL3664021,8.18
+CNc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F,CHEMBL3799879,6.47
+CSc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F,CHEMBL3797680,7.35
+CCOc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F,CHEMBL3799339,7.32
+CCCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(Cl)s3)C2)nc(OC)c1F,CHEMBL3798760,7.82
+CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(Cl)s3)C2)nc(OC)c1F,CHEMBL3797321,7.96
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(Cl)s3)C2)nc(C)c1F,CHEMBL3798199,8.0
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F,CHEMBL3798544,7.82
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)ncc1F,CHEMBL3800447,7.24
+COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)ncc1F,CHEMBL3800286,8.85
diff --git a/chembl_200/CHEMBL4852.csv b/chembl_200/CHEMBL4852.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3ed8f1a9c0fd66ef3226d93708a36d3ecd405255
--- /dev/null
+++ b/chembl_200/CHEMBL4852.csv
@@ -0,0 +1,375 @@
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.5
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,6.5
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,6.8
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,6.5
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,7.7
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.5
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,7.8
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.8
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.3
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,7.2
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,5.9
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,7.3
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.1
+O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)[nH][nH]c-2n1,CHEMBL1230164,5.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.9
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,CHEMBL202721,7.5
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.5
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,5.9
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,6.1
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.2
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.6
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.6
+CN(C)CCCN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1964948,7.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.0
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.5
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.1
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.5
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.1
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.3
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.3
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.1
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.8
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,5.9
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.8
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.2
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,6.3
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.7
+Brc1ccc2c(c1)-c1n[nH]cc1C2,CHEMBL1995172,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,8.1
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.9
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.2
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC,CHEMBL1996604,5.2
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,7.0
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,7.6
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.7
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.0
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1C(F)(F)F,CHEMBL1981947,5.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.0
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.8
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.5
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,6.1
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.3
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.1
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.7
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,5.1
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,5.8
+CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1)c1ccccc1,CHEMBL1990288,5.75
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.6
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,6.0
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.3
+CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825138,7.35
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.6
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,6.1
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,7.4
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.5
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.1
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.2
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.6
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,6.3
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.5
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,8.1
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.6
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.1
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.4
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,9.7
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,6.0
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.3
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.3
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.5
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.0
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,8.0
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,7.5
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,5.8
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.9
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.2
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.0
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.1
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.1
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.1
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,6.0
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.5
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.8
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,5.1
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,6.0
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.7
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.9
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.6
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,9.2
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,7.6
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1,CHEMBL398951,5.5
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.5
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.1
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.7
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.2
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,6.9
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.4
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,8.2
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,5.5
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.6
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1Cl,CHEMBL1997503,5.4
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.6
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,6.3
+OCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1,CHEMBL2004871,5.2
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1,CHEMBL1971463,5.7
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,7.1
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,5.6
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,7.0
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,7.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,8.2
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,6.8
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.1
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,8.3
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,5.4
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.1
+CCCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL1970735,5.6
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.3
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.9
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.7
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,8.3
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.9
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.1
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,6.1
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,6.7
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.2
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.4
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.1
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.6
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.8
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.4
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.5
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,5.4
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.2
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.8
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.6
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.2
+Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1,CHEMBL1971430,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.6
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.3
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.4
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,6.9
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.5
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,8.3
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,6.5
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.2
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.6
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.8
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.9
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.3
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,6.8
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.6
+COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1,CHEMBL1979176,5.3
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,8.8
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.8
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,7.3
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,8.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,6.6
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,7.0
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.5
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,6.4
+Cc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)C(=N)O2,CHEMBL1970189,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,8.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,7.1
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.9
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.1
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,7.0
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.7
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.8
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,7.0
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.4
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,6.2
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.9
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.9
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.8
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,5.1
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.0
+CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1,CHEMBL1978448,5.8
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,6.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,7.3
+OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,CHEMBL2002373,5.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,8.1
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.3
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.5
+Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1996500,5.8
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.2
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,6.3
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.5
+COc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1[nH]nc2ccc(Cc3cc(F)cc(F)c3)cc12,CHEMBL1973961,5.7
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,5.7
+CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL2000078,6.3
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,5.8
+CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1979773,9.1
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,6.2
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.4
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,6.6
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.1
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,7.8
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,6.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,7.0
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.6
+FC(F)(F)Oc1ccc(-c2ccc3[nH]cc(C4=CCNCC4)c3c2)cc1,CHEMBL1987982,5.1
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,7.1
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,6.4
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,6.0
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.1
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.7
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,8.4
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,6.8
+c1ccc(CSc2nnc(-c3ccncc3)[nH]2)cc1,CHEMBL1968926,5.9
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.0
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.7
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.0
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,7.9
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,5.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.8
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.8
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,6.7
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2F)c1,CHEMBL1986851,8.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.6
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.2
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.3
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.5
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,6.0
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.5
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,7.8
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.2
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,7.6
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.2
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,5.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.0
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.2
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.2
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.9
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,6.2
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,7.3
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,6.3
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.7
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,7.0
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.4
+Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,5.2
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.9
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.6
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.5
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,6.1
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,6.3
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.4
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.8
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,6.9
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,6.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.7
+CC(=O)c1cccc(-c2cnc3ccccc3c2)c1,CHEMBL2007336,6.0
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.7
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,7.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.2
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.7
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,8.4
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,6.4
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.7
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,5.6
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.6
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,7.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,9.7
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.8
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.4
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.8
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,6.6
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,7.5
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.2
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.7
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.5
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,5.9
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.7
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,7.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.5
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,5.4
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,7.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.8
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,7.7
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.1
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.3
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.5
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.9
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.9
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,6.1
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,6.5
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.9
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.9
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL95692,5.8
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,7.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,7.0
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,6.2
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.2
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.7
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.2
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,8.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.4
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.4
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,5.2
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.5
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.6
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.8
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.6
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.7
+CN(C)CC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1965631,5.4
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,6.7
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,5.6
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,7.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,7.4
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,7.2
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,6.4
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,6.8
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,7.3
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,7.7
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.2
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.2
+COc1cc(-c2ccc3c(c2)NC(=O)c2ccc(-c4ccccc4NS(C)(=O)=O)cc2N3)cc(OC)c1OC,CHEMBL1984038,5.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.6
+Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)[nH]c12,CHEMBL1984039,5.6
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.9
diff --git a/chembl_200/CHEMBL4860.csv b/chembl_200/CHEMBL4860.csv
new file mode 100644
index 0000000000000000000000000000000000000000..6577388254f0b6e7a7e29961286e3f0b3a29166f
--- /dev/null
+++ b/chembl_200/CHEMBL4860.csv
@@ -0,0 +1,683 @@
+CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,CHEMBL436605,6.08
+CC(C)C(C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL335265,5.62
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL371861,6.36
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@@H](CSc3ccccc3)CC(=O)N(C)C)c([N+](=O)[O-])c2)cc1,CHEMBL383399,6.92
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL370837,6.78
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCCCN)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL380709,7.15
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCCCN(C)C)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL201947,7.23
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCCN(C)C)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL382648,6.5
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@@H](CCN(C)C)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL202964,5.67
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL202798,6.94
+CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(C)(C)CC3)cc2)cc1[N+](=O)[O-],CHEMBL379013,7.12
+CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H](CCN4CCOCC4)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL378820,6.14
+CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN4CCOCC4)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL198903,7.26
+CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCCCN)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL370836,6.64
+CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(C)(C)CC3)cc2)cc1[N+](=O)[O-],CHEMBL370835,7.14
+CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(C)(C)CC3)cc2)cc1[N+](=O)[O-],CHEMBL380502,7.04
+CN(C)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(C)(C)CC3)cc2)cc1[N+](=O)[O-],CHEMBL379895,5.9
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(C)(C)CC3)cc2)cc1[N+](=O)[O-],CHEMBL192571,7.183
+CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL383229,6.72
+CN(C)C(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL203620,5.45
+CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL202540,5.54
+COc1cc(CCCO)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL434952,6.14
+COc1cc(CCC(=O)N2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL201670,6.44
+COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL204822,6.4
+COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL382018,6.4
+COc1cc(CCCN(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL380433,5.91
+COc1cc(CCN(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL378808,5.49
+COc1cc(C(=O)N(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL372834,5.7
+COc1cc(CN(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL201669,5.34
+CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C,CHEMBL410802,7.96
+COc1c(Cc2ccccc2C(C)C)cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(OC)c1OC,CHEMBL216213,4.6
+O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc(Cc2ccccc2)c(O)c(O)c1O,CHEMBL217223,6.03
+O=C(Nc1ccccc1)c1cc(Cc2ccccc2)c(O)c(O)c1O,CHEMBL214965,5.08
+CC(C)c1cc(C(=O)Nc2ccccc2)c(O)c(O)c1O,CHEMBL214839,4.56
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL437146,6.52
+Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN(C)C)CSc5ccccc5)c([N+](=O)[O-])c4)cc3)CC2)cc1,CHEMBL439495,8.21
+COC1(CC(C)C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL373577,7.25
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL385104,7.21
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL376921,7.4
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccc(F)cc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL385101,8.47
+CC1OC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN(C)C)CSc5ccccc5)c([N+](=O)[O-])c4)cc3)CC2)N(Cc2ccccc2)C1=O,CHEMBL376696,8.02
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC4(CC3)CC(Cc3ccccc3)=NO4)cc2)cc1[N+](=O)[O-],CHEMBL386955,8.19
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)cc2)cc1[N+](=O)[O-],CHEMBL373713,7.45
+COC1(Cc2ccccc2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL373712,8.09
+COC1(Cc2ccccc2Br)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL426558,8.82
+COC1(Cc2ccccc2C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL375770,8.85
+COC1(Cc2cccc(Cl)c2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL375628,8.74
+COc1ccccc1CC1(OC)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL268908,8.8
+COC1(Cc2ccccc2F)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL375842,8.51
+COC1(Cc2ccc(Cl)cc2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL375841,8.57
+COC1(CC2CCCCC2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL374271,8.18
+CCCCCC1(OC)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL374270,7.7
+COC1(CC(C)(C)C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL221218,7.8
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4cccnc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL374941,7.17
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-],CHEMBL373631,8.6
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccccn4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL221708,7.34
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccccc4C#N)CC3)cc2)cc1[N+](=O)[O-],CHEMBL373544,7.89
+COc1ccccc1C=C1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL376659,8.7
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccc(C(F)(F)F)cc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL222069,8.03
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccccc4C(F)(F)F)CC3)cc2)cc1[N+](=O)[O-],CHEMBL376254,8.7
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL374214,8.68
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(=Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-],CHEMBL374303,9.15
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-],CHEMBL437148,8.34
+COc1ccccc1CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL385119,8.49
+Cc1ccccc1CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL387142,8.35
+CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(C)(C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL387141,7.17
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4cccnc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL221750,9.0
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4NC4CCCCC4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL221856,8.46
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4cccc(Cl)c4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL218408,7.77
+CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O,CHEMBL376055,6.96
+CC(C)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O,CHEMBL219775,6.23
+CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c(O)c1O,CHEMBL220055,5.51
+Cc1oc2c(CC(C)C)c(O)c(O)c(=O)c-2c(O)c1-c1ccccc1,CHEMBL389660,6.47
+Cc1oc2c(CC(C)C)c(O)c(O)c(=O)c-2c(O)c1-c1ccc(-c2c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c2=O)cc1,CHEMBL226578,7.77
+Cc1cc(O)c2c(=O)c(O)c(O)c(CC(C)C)c-2o1,CHEMBL226678,6.14
+C[C@@H](C(=O)N1CCOCC1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL243203,4.15
+CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)SC1=S,CHEMBL242340,5.71
+CC(C)C[C@@H](C(=O)O)N1C(=O)C(=C(c2ccccc2)c2ccccc2)SC1=S,CHEMBL439400,4.24
+C/C(=C1/SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccccc1,CHEMBL242339,4.67
+CCC/C(=C1/SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccccc1,CHEMBL242126,4.87
+CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL397906,5.13
+CCC/C(=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)c1ccccc1,CHEMBL437577,4.92
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL243190,4.85
+O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL242969,5.55
+CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,CHEMBL241897,4.16
+CC(C)C(C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S,CHEMBL241895,4.36
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOCCOCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S,CHEMBL272974,4.67
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S,CHEMBL270646,5.37
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S,CHEMBL404899,5.77
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(OCOc3ccc(/C=C4\SC(=S)N([C@@H](Cc5ccccc5)C(=O)O)C4=O)cc3)cc2)SC1=S,CHEMBL406312,5.37
+COC(=O)NC(CCSC)C(=O)Oc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,CHEMBL255690,5.89
+O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL36327,6.52
+O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c-2c1)c1cc(O)c(O)c(O)c1,CHEMBL253536,5.91
+O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c1-2,CHEMBL346119,6.16
+O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL297453,6.55
+O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccc(F)cc2)CC1,CHEMBL501793,5.17
+O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1,CHEMBL509472,5.28
+O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Cl)c(Cl)c1)N1CCC(c2ccc(F)cc2)CC1,CHEMBL510828,5.66
+O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1,CHEMBL506763,5.92
+O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1,CHEMBL470541,5.08
+O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1,CHEMBL467309,5.11
+O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1,CHEMBL467709,5.27
+O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1,CHEMBL467508,5.39
+COCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL506360,4.85
+COCCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL502454,5.37
+O=C(NCCCN1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL449695,5.8
+O=C(NCCCN1CCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL501763,5.52
+O=C(NCCN1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL510724,5.82
+O=C(NCCN1CCCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL502211,5.6
+CN(C)CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL448237,5.89
+CN(C)CCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CHEMBL451196,5.7
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCOC4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL452892,8.62
+Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O,CHEMBL551288,5.55
+CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2cccc(-c3ccc(C(=O)O)cc3)c2)c1,CHEMBL1270714,5.3
+CN(C)CCCC(O)(c1ccccc1)c1cccc(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)c1,CHEMBL1270819,4.7
+CN(C)CCCC(O)(c1ccccc1)c1cccc(OCc2ccc(-c3ccc(C(=O)O)cc3)cc2)c1,CHEMBL1270820,5.28
+CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2ccc(-c3ccc(C(=O)O)cc3)cc2)c1,CHEMBL1270922,5.34
+CN(C)CCCC(O)(c1ccccc1)c1cccc(CCOc2ccc(-c3ccc(C(=O)O)cc3)cc2)c1,CHEMBL1271021,5.47
+CN(C)CCCC(O)(c1ccccc1)c1ccc(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc1,CHEMBL1271230,5.24
+CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc1,CHEMBL1271231,5.1
+CN(C)CCCC(O)(c1ccccc1)c1ccc(OCc2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL1271331,4.08
+CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCc2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1,CHEMBL1271332,4.92
+O=C(O)c1ccc(-c2ccc(OCCc3cc(C(O)(CCN4CCOCC4)c4ccc(Cl)cc4)ccc3Cl)cc2)cc1,CHEMBL1269504,6.66
+CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)c(CCOc2ccc(-c3ccc(C(=O)O)cc3)cc2)c1,CHEMBL1271440,6.34
+O=C(O)c1ccc(-c2ccc(OCCc3cc(C(O)(CCN4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1,CHEMBL1269505,6.7
+CC(C)(C)c1ccc(C(O)(CCN2CCOCC2)c2ccc(Cl)c(CCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)c2)cc1,CHEMBL1269506,6.96
+CC(C)(C)c1ccc(C(O)(CCN2CCCC2)c2ccc(Cl)c(CCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)c2)cc1,CHEMBL1269507,7.4
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O,CHEMBL1272170,6.6
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCC(C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NCC(C)c3ccccc3)c2C1=O,CHEMBL1269070,6.82
+CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2C(=O)C(C)=C(C2=C(C)C(=O)c4c(cc(O)c(O)c4C(=O)NCCc4ccc(CC)cc4)C2=O)C3=O)cc1,CHEMBL1269012,6.85
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O,CHEMBL1269072,6.82
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O,CHEMBL1272224,6.77
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC3CCCC3)C2=O)C(=O)c2cc(O)c(O)c(CC3CCCC3)c2C1=O,CHEMBL1269073,5.82
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCC3CCCCC3)C2=O)C(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2C1=O,CHEMBL1269074,5.35
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccccc3)c2C1=O,CHEMBL1269075,5.76
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O,CHEMBL1269076,5.68
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2C1=O,CHEMBL1269077,5.84
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O,CHEMBL1269107,6.72
+CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccc(Cl)cc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2C1=O,CHEMBL1269110,6.64
+N#Cc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43,CHEMBL595134,6.507999999999999
+N#Cc1c2c3ccc(Sc4ccc(Br)cc4)c4cccc(c-2nc1=O)c43,CHEMBL1672081,6.42
+COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc-3c3cccc1c32,CHEMBL1824188,6.05
+Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc-3c3cccc1c32,CHEMBL1824187,5.84
+Cc1cccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)c1,CHEMBL1824186,5.22
+Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672068,6.35
+COc1cccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)c1,CHEMBL1824189,4.78
+COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672070,6.52
+CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1672071,6.6
+N#Cc1c2c3ccc(Oc4ccc(-c5ccccc5)cc4)c4cccc(c-2nc1=O)c43,CHEMBL1672069,6.56
+CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1,CHEMBL1824190,6.8
+CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940662,5.42
+CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940663,5.47
+CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940664,5.45
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940665,5.47
+CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1,CHEMBL1940666,6.08
+CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)C(C)C,CHEMBL1940667,5.02
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccccc1,CHEMBL1940668,5.78
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2F)cc1,CHEMBL1940669,5.96
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1cccc(F)c1,CHEMBL1940670,5.85
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccc(F)cc1,CHEMBL1940671,6.03
+O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1,CHEMBL1940678,6.12
+COc1ccc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)cc1,CHEMBL1940679,6.1
+O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL1940680,4.82
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(c4cccc(-c5c(-c6ccc(Cl)cc6)cn(CC[C@H](O)CO)c5C(=O)NCCCN5CCN(C)CC5)c4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL2063882,8.7
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(C#Cc3cccc(-c4c(-c5ccc(Cl)cc5)cn(CC[C@H](O)CO)c4C(=O)NCCCN4CCN(C)CC4)c3)cc2)cc1[N+](=O)[O-],CHEMBL2063886,8.82
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(NCCNc3cccc(-c4c(-c5ccc(Cl)cc5)cn(CC[C@H](O)CO)c4C(=O)NCCCN4CCN(C)CC4)c3)cc2)cc1[N+](=O)[O-],CHEMBL2063887,7.81
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(-c5c(-c6ccc(Cl)cc6)cn(CC[C@H](O)CO)c5C(=O)NCCCN5CCN(C)CC5)cc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL2063888,8.07
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL2063889,7.66
+CN1CCN(CCCNC(=O)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)cn2CC[C@H](O)CO)CC1,CHEMBL2063880,4.11
+CNC(=O)c1c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)cn1C,CHEMBL2063893,8.92
+CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5cn(C)cc5-c5ccc(Cl)cc5)c4)CC3)cc2)cc1[N+](=O)[O-],CHEMBL2063894,7.68
+CCOC(=O)c1c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)cn1C,CHEMBL2063895,7.94
+CCc1c(-c2ccc(Cl)cc2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(C(=O)O)n1C,CHEMBL2063897,9.1
+CCCCn1c(C)c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1,CHEMBL2170840,7.7
+CCCn1c(C)c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1,CHEMBL2170839,8.12
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C,CHEMBL2170838,9.1
+CCn1c(C)c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1,CHEMBL2170837,8.92
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(C)(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170836,8.34
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170835,8.62
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CC(O)C6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170851,8.77
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCCCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170850,8.42
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170849,8.74
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170848,8.77
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCOCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170847,7.85
+Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170846,8.68
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(=O)(=O)C6CC6)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170845,6.66
+CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(C(=O)NCCCN6CCN(C)CC6)c(C)n(C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)c1,CHEMBL2170844,6.67
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(C)(=O)=O)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170843,6.18
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170842,7.41
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(OC(C)C)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170841,6.28
+CCOc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(C(=O)NCCCN6CCN(C)CC6)c(C)n(C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)c1,CHEMBL2171011,6.38
+COc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(C(=O)NCCCN6CCN(C)CC6)c(C)n(C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)c1,CHEMBL2169898,6.68
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(OC(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171010,6.71
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(C(C)(C)C)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171009,6.31
+CCc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(C(=O)NCCCN6CCN(C)CC6)c(C)n(C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)c1,CHEMBL2171008,6.8
+Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(C(=O)NCCCN6CCN(C)CC6)c(C)n(C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)c1,CHEMBL2171007,6.75
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171006,6.82
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Br)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171005,7.18
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Cl)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171004,6.77
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2171003,6.6
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170853,6.24
+Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C,CHEMBL2170852,7.5
+O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180317,7.06
+Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1,CHEMBL2180318,7.36
+O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180319,7.15
+CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1,CHEMBL2180320,7.62
+O=C1c2ccc(Br)cc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180321,6.88
+O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,CHEMBL55814,5.94
+O=C1c2ccccc2C(=O)c2cc(O)c(O)cc21,CHEMBL2180322,6.38
+O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21,CHEMBL372711,5.77
+O=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O,CHEMBL192032,6.055
+O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c2cccc(O)c(O)c1-2,CHEMBL2260476,6.54
+O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL264938,6.63
+O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL483083,6.64
+O=C(O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL2314177,6.02
+Cc1cc(OCCCc2c(C(=O)O)sc3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL2314176,6.1
+Cc1cc(OCCCc2c(C(=O)O)sc3ccccc23)cc(C)c1Cl,CHEMBL2314173,5.28
+Cc1cc(OCCCc2c(C(=O)O)n(C)c3ccccc23)cc(C)c1Cl,CHEMBL2314503,5.13
+O=C(O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12,CHEMBL2314210,6.02
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl,CHEMBL2314209,6.06
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)ccc1Cl,CHEMBL2314208,5.85
+O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12,CHEMBL2314198,5.57
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)cc(C)c1Cl,CHEMBL2314193,5.28
+Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)ccc1Cl,CHEMBL2314191,5.04
+O=C(O)c1oc2ccccc2c1CCCOc1cccc2ccccc12,CHEMBL2314519,5.37
+O=C(O)c1sc2ccccc2c1CCCOc1cccc2ccccc12,CHEMBL2314516,5.01
+O=C(Nc1c(C(=O)NCCCc2ccccc2)cc(O)c(O)c1O)c1ccccc1,CHEMBL2436888,5.09
+O=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1,CHEMBL2436887,5.88
+CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1,CHEMBL2436886,5.72
+CC(C)c1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1,CHEMBL2436885,5.95
+Cc1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1,CHEMBL2436891,6.75
+O=c1c2cc(O)c(O)c(O)c2nc(-c2ccccc2)n1Cc1ccccc1,CHEMBL2436890,6.02
+O=c1nc[nH]c2c(O)c(O)c(O)cc12,CHEMBL2436889,5.03
+O=C(O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O,CHEMBL2030270,4.26
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O,CHEMBL1331211,4.62
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1O,CHEMBL3265294,5.05
+O=C(O)CSc1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc2c1O,CHEMBL3265295,5.11
+O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O,CHEMBL3265296,4.62
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccccc2c1O,CHEMBL3265297,5.21
+O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O,CHEMBL3265299,5.12
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCOc3cccc(-n4ncc5cncnc54)c3)s1)CC2,CHEMBL3342190,6.66
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCOc3cccc(-n4ncc5cncnc54)c3)s1)CC2,CHEMBL3342189,7.0
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCOc3ccc(-n4ncc5cncnc54)cc3)s1)CC2,CHEMBL3342191,7.05
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCOc3ccc(-n4ncc5cncnc54)cc3)s1)CC2,CHEMBL3342192,6.77
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCCOc3ccc(-n4ncc5cncnc54)cc3)s1)CC2,CHEMBL3342193,9.85
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCOc3ccc(-n4cccn4)cc3)s1)CC2,CHEMBL3342194,6.82
+CN(C)CCCNc1ncnc2c1cnn2-c1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1,CHEMBL3342195,6.62
+CN1CCN(CCCNc2ncnc3c2cnn3-c2ccc(OCCCc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)CC1,CHEMBL3342196,6.85
+CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1,CHEMBL3342197,7.22
+CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(Cl)c1,CHEMBL3342198,6.55
+CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1,CHEMBL3342332,7.115
+CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1F,CHEMBL3342333,7.06
+CN(C)CC#Cc1cc(F)c(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1F,CHEMBL3342334,7.05
+Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccccc2)N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1,CHEMBL3401826,6.23
+O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S,CHEMBL3401816,6.31
+O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S,CHEMBL3401801,6.41
+O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)SC1=S,CHEMBL3401800,6.27
+CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C,CHEMBL3417395,5.52
+Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1C=C(c1ccccc1)c1ccccc1,CHEMBL3417396,5.8
+CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1,CHEMBL3417397,5.8
+CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc2ccccc2c1,CHEMBL3417398,5.7
+CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ncc[nH]1,CHEMBL3417399,5.7
+CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccccc1,CHEMBL3417410,5.72
+CC1=NN(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)C(=O)/C1=N\Nc1ccc2ccccc2c1,CHEMBL3417409,4.47
+CCOc1ccccc1N/N=C1\C(=O)N(c2cccc(-c3ccc(N(C)C)cc3)c2)N=C1C,CHEMBL3417408,5.38
+CCOc1ccccc1N/N=C1\C(=O)N(c2cc(O)cc(-c3ccc(C(C)C)cc3)c2)N=C1C,CHEMBL3417407,5.72
+CCOc1ccccc1N/N=C1\C(=O)N(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)N=C1C,CHEMBL3417402,4.92
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3,CHEMBL3425519,5.51
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCC3,CHEMBL3426319,5.14
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCO3,CHEMBL3426320,5.24
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3,CHEMBL3426322,5.0
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3=O,CHEMBL3426323,4.8
+O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O,CHEMBL3426324,4.93
+O=C(O)c1c(CCCOc2cccc3c2CCCC3)c2cccc3c2n1CCS3,CHEMBL3426325,5.43
+O=C(O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3c2n1CCS3,CHEMBL3426326,5.96
+O=C(O)c1c(CCCOc2ccc3c(c2)CCCC3)c2cccc3c2n1CCS3,CHEMBL3426327,5.36
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)ccc1Cl,CHEMBL3426328,5.2
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)cc(C)c1Cl,CHEMBL3426329,5.64
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCCC3)cc(C)c1Cl,CHEMBL3426332,5.43
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)CCC3)cc(C)c1Cl,CHEMBL3426333,6.11
+Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)OCC3)cc(C)c1Cl,CHEMBL3426334,5.89
+COc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)SC1=S,CHEMBL3629837,5.8
+COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3629838,5.0
+O=C(O)c1ccc([N+](=O)[O-])c(COc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1,CHEMBL3629842,5.51
+Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3628069,6.05
+Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3628070,5.12
+O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1,CHEMBL3628072,5.02
+O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1,CHEMBL3628077,6.21
+O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(I)cc4)C3=O)cc2)cc1,CHEMBL3628078,5.37
+COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S,CHEMBL3629836,5.7
+Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)SC1=S,CHEMBL3629834,5.51
+O=C(O)c1ccc([N+](=O)[O-])c(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1,CHEMBL3627742,5.05
+O=Cc1ccc(-c2ccc(C[C@@H]3NC(=O)N([C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)cc2)cc1,CHEMBL3629661,4.89
+Cc1cccc(-c2ccc(C[C@@H]3NC(=O)N([C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)cc2)c1,CHEMBL3629660,5.36
+Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccccc2)N2C(=O)N[C@@H](Cc3ccc(-c4cccc(C)c4)cc3)C2=O)cc1,CHEMBL3629659,4.89
+O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O,CHEMBL3629657,4.82
+O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O,CHEMBL3629656,5.43
+O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O,CHEMBL3629654,4.72
+CN(C)Cc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650486,8.08
+CNc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650487,7.5
+Cc1cc2cc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c([N+](=O)[O-])c3)ccc2[nH]1,CHEMBL3650488,9.08
+Cc1cc2cc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)ccc2[nH]1,CHEMBL3650489,8.61
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1Cl,CHEMBL3650490,9.13
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(Cl)c1,CHEMBL3650491,9.1
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(Cl)cc1,CHEMBL3650492,8.59
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc([N+](=O)[O-])c1,CHEMBL3650493,8.46
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(CO)c1,CHEMBL3650494,9.12
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1Cl,CHEMBL3654169,9.14
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2ccccc2Cl)cc1[N+](=O)[O-],CHEMBL3650495,9.77
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(Cl)c1,CHEMBL3650496,9.48
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(Cl)cc1,CHEMBL3650497,8.79
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc(Cl)c2)cc1[N+](=O)[O-],CHEMBL3650498,10.1
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2ccc(Cl)cc2)cc1[N+](=O)[O-],CHEMBL3650499,9.23
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc3c2ccn3C)cc1[N+](=O)[O-],CHEMBL3650500,8.52
+CC(=O)Nc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3639493,8.25
+Nc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650501,8.6
+Nc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650502,8.77
+COc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650503,8.4
+CN(C)c1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650504,7.85
+N#Cc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650505,8.26
+Cc1nc2ccc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)cc2s1,CHEMBL3650506,8.08
+Cc1nc2cc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)ccc2s1,CHEMBL3650507,7.82
+Cc1nc2cc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN(C)C)c([N+](=O)[O-])c3)ccc2s1,CHEMBL3650508,8.82
+CN(C)C(=O)CCc1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650509,9.29
+CN(C)C(=O)Cc1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650510,8.66
+CN(C)CCCc1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650511,8.88
+CN(C)CCc1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650512,9.04
+CN(C)C(=O)c1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650513,10.15
+CN(C)Cc1ccccc1Oc1cc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1,CHEMBL3650514,8.7
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-],CHEMBL3650515,8.8
+Cc1nc(C)c(-c2cccc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)c2)s1,CHEMBL3650516,8.14
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc(Cl)cc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650517,10.66
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650518,10.15
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650520,10.89
+CN(C)CCOc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650521,10.72
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(N)c(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650522,10.72
+CC(C)N1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650523,10.57
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Br)cc2[N+](=O)[O-])CC1,CHEMBL3650524,10.52
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCCC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650525,10.47
+Cc1[nH]nc2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)c12,CHEMBL3650526,10.44
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650527,10.33
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Br)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650528,10.33
+CCN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650529,10.3
+CN1C(C)(C)CC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1(C)C,CHEMBL3650530,10.28
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650531,10.21
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc(F)c4[nH]ccc4c3)cc2[N+](=O)[O-])CC1,CHEMBL3650532,10.21
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650533,10.18
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650534,10.14
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3cc(CCN4CCCC4)ccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(Cl)c1,CHEMBL3650535,10.11
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650536,10.09
+Cc1[nH]nc2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c([N+](=O)[O-])c3)c12,CHEMBL3650537,10.05
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCCCC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650538,9.97
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650539,9.83
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc3c2CCC(=O)N3)cc1[N+](=O)[O-],CHEMBL3650540,9.81
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2S(=O)(=O)C(F)(F)F)CC1,CHEMBL3650541,9.74
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650542,9.73
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(F)cc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650543,9.66
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)C5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650544,9.64
+Cc1c[nH]c2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)c12,CHEMBL3650545,9.36
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(C(F)(F)F)c3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650546,9.34
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650547,9.28
+Cc1c[nH]c2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c([N+](=O)[O-])c3)c12,CHEMBL3650548,9.23
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(Cl)ccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650549,9.09
+Cn1ccc2c(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)cccc21,CHEMBL3650550,8.23
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(N2CCOCC2)c1,CHEMBL3650551,8.08
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2ccc3[nH]cc(CCC(=O)N4CCOCC4)c3c2)cc1[N+](=O)[O-],CHEMBL3650552,7.69
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(OCc2ccccc2)c1,CHEMBL3650553,7.5
+N#Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650554,7.5
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc2[nH]cc(CCC(=O)N3CCOCC3)c2c1,CHEMBL3650555,7.49
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc2[nH]cc(CCCN3CCOCC3)c2c1,CHEMBL3650556,6.72
+CN(C)Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650557,7.11
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(-n2ccnc2)cc1,CHEMBL3650558,6.62
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)cc1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc([N+](=O)[O-])c1,CHEMBL3650559,6.35
+CCN(Cc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1)C(=O)OC(C)(C)C,CHEMBL3650561,7.0
+CCNCc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650562,6.83
+CCNCc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650563,7.51
+CC(=O)Nc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650564,6.29
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1-c1ccccc1,CHEMBL3650566,7.86
+CC(C)(C)OC(=O)Nc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650567,8.25
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(-c2ccccc2)c1,CHEMBL3650568,8.28
+CN(C)CCc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650569,6.58
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(N2CCOCC2)c1,CHEMBL3650571,8.21
+Cc1nc2cc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)ccc2s1,CHEMBL3650572,7.97
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-],CHEMBL3650574,8.59
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(OCc2ccccc2)c1,CHEMBL3650575,7.77
+O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(OCCN2CCOCC2)cc1,CHEMBL3650576,6.25
+O=C1CCc2c(cccc2Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)N1,CHEMBL3650577,9.37
+CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1,CHEMBL3650579,6.83
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1cccc(-c2ccncc2)c1,CHEMBL3650580,9.02
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(-c2ccncc2)cc1,CHEMBL3650581,7.15
+O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc(-c2cccnc2)cc1,CHEMBL3650582,6.95
+CN(C)C(=O)COc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1,CHEMBL3650583,6.17
+Cn1cnc2cc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c([N+](=O)[O-])c3)ccc21,CHEMBL3650584,7.36
+CNC(=O)c1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650585,8.17
+CNC(=O)c1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN(C)C)c([N+](=O)[O-])c2)c1,CHEMBL3650586,8.63
+CN(C)C(=O)COc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL3650587,8.45
+CN(C)CCCc1c[nH]c2ccc(Oc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)cc12,CHEMBL3650588,6.67
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2cccc(CO)c2)cc1[N+](=O)[O-],CHEMBL3650589,9.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(N)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650590,9.63
+CC(c1ccccc1-c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3ccccc3Cl)c2)CC1,CHEMBL3650591,10.41
+CN1CCC(Nc2ccc(C(=O)NS(=O)(=O)c3ccc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)cc3Oc3cc(Cl)cc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650592,7.76
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650593,10.38
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650594,10.49
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650595,10.44
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650596,10.38
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650597,9.91
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650598,10.14
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(F)cc3)cc2[N+](=O)[O-])CC1,CHEMBL3650599,9.82
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3639494,9.81
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(F)cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650600,9.67
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650601,10.09
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650603,9.96
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650604,10.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650605,10.12
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650606,10.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650607,10.52
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650608,10.19
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650609,9.97
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650610,10.17
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2S(=O)(=O)C(F)(F)F)CC1,CHEMBL3650611,10.18
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650612,9.68
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650613,10.26
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650614,9.74
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650615,10.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(Cc6ccsc6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650616,9.75
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccccc2F)cc1[N+](=O)[O-],CHEMBL3650617,10.68
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc(F)c2)cc1[N+](=O)[O-],CHEMBL3650618,10.8
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccc(F)cc2)cc1[N+](=O)[O-],CHEMBL3650619,9.9
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCF)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650620,9.65
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650621,9.32
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc(Cl)c2)cc1[N+](=O)[O-],CHEMBL3650622,10.15
+CN1CCN(CCCNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650623,10.28
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650624,10.55
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650625,10.24
+C=CCN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650626,10.4
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650627,9.9
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650628,9.97
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650629,9.12
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3c(F)cccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650630,8.16
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4c(F)cccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650631,7.73
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc4cc[nH]c4cc3F)cc2[N+](=O)[O-])CC1,CHEMBL3650632,10.92
+CN1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650633,10.21
+CN1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650634,10.46
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc4[nH]ccc4c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650635,9.14
+COCOc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c([N+](=O)[O-])c2)c1C,CHEMBL3650636,9.21
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(Br)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650637,10.55
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(I)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650638,10.51
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCO)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650639,10.32
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCc6ccccc6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650640,9.16
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650641,10.25
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc(F)cc(F)c3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650642,9.92
+COc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c([N+](=O)[O-])c2)c1,CHEMBL3650643,10.09
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(CO)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650644,8.87
+CN1CCC(C)(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650645,9.3
+COCCOCCN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650646,10.44
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(O)c3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650647,10.18
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCCc6ccccc6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650648,9.26
+COCCN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650649,10.72
+CCN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650650,10.43
+CC(C)N1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650651,10.34
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(O)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650652,9.62
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650653,10.43
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650654,9.76
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccccc2Cl)cc1[N+](=O)[O-],CHEMBL3650655,10.44
+COc1ccccc1Oc1cc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1,CHEMBL3650656,9.95
+Cc1ccccc1Oc1cc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1,CHEMBL3650657,9.92
+Cc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c([N+](=O)[O-])c2)c1,CHEMBL3650658,9.76
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(Cc5cc6c(cc5-c5ccc(Cl)cc5)OCO6)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650659,8.6
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650660,9.81
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650661,10.08
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3650662,10.46
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650663,10.27
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650664,10.14
+CN(C)C(=O)CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650665,10.44
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCN6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650666,10.11
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(N)CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650667,9.26
+CN1CCC(O)(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3650668,10.62
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3650669,10.19
+CN1CC[C@H](Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])C1,CHEMBL3650670,9.5
+CN1CC[C@@H](Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])C1,CHEMBL3650671,9.16
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(-c4ccc[nH]4)c3)cc2[N+](=O)[O-])CC1,CHEMBL3650672,9.66
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3653965,9.61
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc4cc[nH]c4c(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3639528,10.09
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653966,11.0
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4c3ccn4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,CHEMBL3653967,7.7
+CN(C)C1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3653968,10.08
+CCN(CC)C1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1,CHEMBL3653969,10.12
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653970,9.82
+CC(c1ccccc1-c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c([N+](=O)[O-])c3)c(Oc3ccccc3Cl)c2)CC1,CHEMBL3653971,10.43
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(O)cc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3653972,10.13
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(O)cc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3653973,9.58
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc(F)cc5[nH]ccc45)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653975,10.7
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(O)cc3Cl)cc2S(=O)(=O)C(F)(F)F)CC1,CHEMBL3653976,8.87
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc3c2c(CN2CCN(C)CC2)cn3CN2CCN(C)CC2)cc1[N+](=O)[O-],CHEMBL3653977,9.43
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc3[nH]cc(CN4CCN(C)CC4)c23)cc1[N+](=O)[O-],CHEMBL3653978,10.51
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3C(=O)N(C)C)cc2[N+](=O)[O-])CC1,CHEMBL3653979,9.66
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc5[nH]c(C(F)(F)F)cc45)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653980,8.53
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccc(O)cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653981,10.57
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4C(F)(F)F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654173,9.76
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(OCc4csc(N)n4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653982,7.83
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc4cc[nH]c4c(F)c3F)cc2[N+](=O)[O-])CC1,CHEMBL3653983,9.9
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc4cc[nH]c4cc3F)cc2[N+](=O)[O-])CC1,CHEMBL3653984,9.64
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3OCc3csc(N)n3)cc2[N+](=O)[O-])CC1,CHEMBL3653986,7.96
+CC(=O)Nc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(C)CC3)c([N+](=O)[O-])c2)c1,CHEMBL3653987,8.25
+CC(=O)Nc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(C4CCOCC4)CC3)c([N+](=O)[O-])c2)c1,CHEMBL3653988,8.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Nc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653989,8.12
+COc1cc2[nH]ccc2cc1Oc1cc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1,CHEMBL3653990,9.76
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc4nc(N)sc4c3)cc2[N+](=O)[O-])CC1,CHEMBL3653991,8.96
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Nc3ccccc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3653992,8.55
+CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],CHEMBL3653993,7.43
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccc5nc(N)sc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653994,8.98
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCNC(=O)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653995,10.43
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653996,10.0
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653997,10.41
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653998,10.15
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3653999,9.71
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654000,9.91
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCNC(=O)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654001,9.98
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CO)C5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654002,9.04
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(CO)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654003,9.85
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654004,10.04
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654005,10.16
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cc4cc[nH]c4cc3Cl)cc2[N+](=O)[O-])CC1,CHEMBL3654006,8.76
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(Cc6cscn6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654007,9.32
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654008,10.19
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654009,10.41
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(N)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654010,10.29
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H]5CCN(Cc6cscn6)C[C@@H]5O)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654011,9.77
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(CO)CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654012,9.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654013,9.36
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654014,8.94
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654015,10.3
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCNC(=O)C5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654016,9.92
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(-c4ccc(N)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654017,8.15
+CC(C1=C(c2ccc(Cl)cc2)CC(C)(C)CC1)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cc4cc[nH]c4cc3F)c2)CC1,CHEMBL3654018,9.98
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCNC(=O)C5)c([N+](=O)[O-])c4)c(Oc4cc(F)cc5[nH]ccc45)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654019,10.01
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@@H]5CCCOC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654020,10.08
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CCCOC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654021,9.78
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccc(N)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654022,9.73
+CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)C1,CHEMBL3654023,9.56
+COCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cc1[N+](=O)[O-],CHEMBL3654024,9.96
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654025,10.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc5[nH]cc(Cl)c5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654026,9.44
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc5[nH]cc(Cl)c45)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654027,9.09
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc5c(c4)CC(=O)N5)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654028,7.55
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cccc5c4CC(=O)N5)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654029,10.38
+COCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cc(F)cc3[nH]ccc23)cc1[N+](=O)[O-],CHEMBL3654030,9.33
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccnc(NC(=O)OC(C)(C)C)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654032,8.72
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(N)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654033,8.91
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccnc(N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654034,9.29
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cncc(Br)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654035,9.03
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)CO1,CHEMBL3654036,10.09
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654037,9.7
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1,CHEMBL3654038,10.77
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cncc(NC(=O)OC(C)(C)C)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654039,7.4
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cncc(N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654040,8.77
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccnc(NC(=O)OC(C)(C)C)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654041,8.12
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccc5[nH]cc(Cl)c5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654042,9.95
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccnc(N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654043,8.99
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(=O)[nH]c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654044,7.76
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(OCc5ccccc5)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654045,7.1
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654046,10.43
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4[nH]cc(Cl)c34)cc2[N+](=O)[O-])CC1,CHEMBL3654047,8.5
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4c3CC(=O)N4)cc2[N+](=O)[O-])CC1,CHEMBL3654048,9.88
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4c3CC(=O)N4)cc2[N+](=O)[O-])CC1,CHEMBL3654049,10.77
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654051,9.6
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654052,9.56
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654053,9.72
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654054,9.63
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)CO1,CHEMBL3654055,9.9
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1,CHEMBL3654056,10.11
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCOCC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1,CHEMBL3654058,10.27
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc5[nH]cc(CCN)c5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654059,7.29
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc4[nH]cc(CCN)c4c3)cc2[N+](=O)[O-])CC1,CHEMBL3654060,7.86
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCOCC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654061,9.95
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5COCCO5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654064,9.84
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5COCCO5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3639529,9.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(NC5CCC(N6CCOCC6)CC5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654065,9.28
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654066,10.4
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(N)cc(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654067,9.16
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCCN5CCOCC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654068,9.81
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654069,9.73
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(NC5CCN(C6CCOCC6)CC5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654070,9.27
+O=C(NS(=O)(=O)c1ccc(NC2CCC(N3CCOCC3)CC2)c(S(=O)(=O)C(F)(F)F)c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCOCC3)CC2)cc1Oc1cc2cc[nH]c2cc1Cl,CHEMBL3654072,8.51
+O=C(NS(=O)(=O)c1ccc(NC2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCOCC3)CC2)cc1Oc1cc2cc[nH]c2cc1Cl,CHEMBL3654073,8.34
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cc4cc[nH]c4cc3F)cc2[N+](=O)[O-])CC1,CHEMBL3654074,10.24
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC#CCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654075,9.69
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(S(C)(=O)=O)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654077,9.7
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc5c4CC(=O)N5)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654078,10.55
+COCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc3c2CC(=O)N3)cc1[N+](=O)[O-],CHEMBL3654079,10.54
+C#Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cnc1OCC1CCOCC1,CHEMBL3654080,8.34
+C#Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)OC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cnc1OCC1CCOCC1,CHEMBL3654081,8.46
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC5CCN(C6CCOCC6)CC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654083,9.74
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654084,10.43
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654085,9.67
+CCN1CCOCC1COc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cc1[N+](=O)[O-],CHEMBL3654086,10.17
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H]5CCCN(C6CCOCC6)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654087,9.97
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NN5CCS(=O)(=O)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654089,9.62
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654090,10.47
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC5CCC(N6CCOCC6)CC5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654091,9.97
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCC(N(C6CC6)C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654092,9.71
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654095,10.31
+CN(C)CCCc1c[nH]c2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c12,CHEMBL3654097,10.24
+CN(C)CCCc1c[nH]c2cccc(Oc3cc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)ccc3C(=O)NS(=O)(=O)c3ccc(NN4CCN(C)CC4)c([N+](=O)[O-])c3)c12,CHEMBL3654098,9.41
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654099,10.77
+COc1ccc(Cn2nnc3c(Oc4cc(N5CCN(CC6=C(c7ccc(Cl)cc7)CC(C)(C)CC6)CC5)ccc4C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)cccc32)cc1,CHEMBL3654100,8.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654102,10.38
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c(S(=O)(=O)C(F)(F)F)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654105,9.42
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c(S(=O)(=O)C(F)(F)F)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654106,8.42
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654107,10.72
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(C(N)=O)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654109,8.55
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(C#N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654110,10.1
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H]5CCN(CC(F)F)C5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654111,10.8
+CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc(N)c(Cl)c3)cc2S(=O)(=O)C(F)(F)F)CC1,CHEMBL3654112,9.94
+CC(=O)Nc1ccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cn1,CHEMBL3654113,8.02
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(NS(C)(=O)=O)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654114,8.55
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H]5CCN(C(CF)CF)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654115,9.75
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654116,10.21
+CN1CCN(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc(N)c(Br)c3)cc2[N+](=O)[O-])CC1,CHEMBL3654117,9.96
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Br)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654118,10.3
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5COCCO5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Br)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654119,10.82
+Cc1cc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cnc1N,CHEMBL3654120,10.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6COC6)CC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654122,10.85
+CC(C)c1cc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cnc1N,CHEMBL3654123,8.34
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(C5CC5)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654124,8.22
+COC1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc(N)c(Br)c3)cc2[N+](=O)[O-])CC1,CHEMBL3654125,10.92
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CN(C6CC6)CCO5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654127,10.85
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(Br)nc(NC(=O)OC(C)(C)C)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654130,7.82
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(NC(=O)OC(C)(C)C)nc(NC(=O)OC(C)(C)C)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654131,5.92
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(NC5CC5)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654132,8.27
+COC1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(NCC(F)F)nc3)cc2[N+](=O)[O-])CC1,CHEMBL3654133,6.48
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(NCC(F)F)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654134,7.24
+CNc1ncc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1Cl,CHEMBL3654135,8.63
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(N)nc(Br)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654137,7.75
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(N)nc(N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654138,8.08
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654139,10.7
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H]5CCCN(C(CF)CF)C5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654140,9.94
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(NC(=O)OC(C)(C)C)ncc4Br)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654141,6.37
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654142,8.21
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(NCC(F)(F)F)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654143,7.31
+CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1,CHEMBL3654146,10.7
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H]5CCN(C(CF)CF)C5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654152,10.74
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCCC5)c([N+](=O)[O-])c4)c(Oc4cccc(Cl)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654170,10.52
+Cc1c(O)cccc1Oc1cc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1,CHEMBL3654171,9.28
+CC1(C)CCC(CN2CCN(c3cccc4c3CCN(c3ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(OC(=O)OC(C)(C)C)c3)C4)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654174,7.93
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(N)ncc4Br)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654153,10.11
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc(Cl)c(=N)n(COP(=O)(O)O)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654155,9.86
+CN(C)CCOc1cccc(-c2ccc(Cl)cc2)c1CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc(N)c(Cl)c3)c2)CC1,CHEMBL3654156,9.76
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@@H]5CCN(CC(F)F)C5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654158,10.09
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(C#N)CC5)c([N+](=O)[O-])c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654159,10.46
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(F)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654160,10.41
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCN(CC(F)F)CC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654161,8.67
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654162,10.16
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCN(C(CF)CF)CC5)c(C(F)(F)F)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654163,9.45
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4-c4cn[nH]c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3639530,9.78
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4-c4cccnc4N)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654164,9.02
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccccc4-c4cc[nH]n4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654165,8.94
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCC(F)(F)CC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654166,9.16
+CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(F)(F)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,CHEMBL3654168,7.67
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3735206,6.03
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3735093,5.34
+Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccc(Br)cc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)N(C(=O)OC(C)(C)C)C3)cc2)cc1,CHEMBL3736193,6.26
+CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL3736460,6.08
+O=C(NS(=O)(=O)c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCOC3)CC2)cc1,CHEMBL3794524,7.23
+Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2,CHEMBL3793424,8.22
+CC(C)Oc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1,CHEMBL3799447,6.85
+CCOc1ccc(-c2c(NC(=O)c3ccc(OCC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3797344,5.98
+CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799491,7.55
+CCOc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3800181,6.39
+CCOc1ccc(-c2c(NC(=O)c3ccccc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799456,6.07
+CC(C)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(OCc3ccccc3)cc2)cc1,CHEMBL3799930,6.41
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1,CHEMBL3798048,5.28
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3799627,6.03
+CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3798160,6.16
+CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1,CHEMBL3799056,5.15
+CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1,CHEMBL3800016,5.22
+CC(C)COc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1,CHEMBL3798676,5.85
+COC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(-c2ccc(OC(C)C)cc2)c1NC(=O)c1ccc(OC(C)C)cc1,CHEMBL3798424,5.29
+Cc1ccc(/N=c2\c3ccc(C)cc3n(C(=O)c3ccc(C(C)(C)C)cc3)c3c(O)c(O)c(O)cc23)cc1,CHEMBL3798644,6.68
+CC(C)c1ccc2/c(=N\c3ccc(Oc4ccccc4)cc3)c3cc(O)c(O)c(O)c3n(C(=O)c3ccc(C(C)(C)C)cc3)c2c1,CHEMBL3798634,7.25
+CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(-c5ccccc5)cc4)c4ccccc34)c(=O)n2C1c1ccccc1,CHEMBL3818394,6.28
+O=c1cc(-c2cc(O)c(O)cc2Cc2ccccc2)oc2cc(O)cc(O)c12,CHEMBL3828618,5.34
+COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccccc3)oc2c1,CHEMBL3828055,5.89
diff --git a/chembl_200/CHEMBL4893.csv b/chembl_200/CHEMBL4893.csv
new file mode 100644
index 0000000000000000000000000000000000000000..c6b5095aa6560a3e1de0d649f9152f003dd2e663
--- /dev/null
+++ b/chembl_200/CHEMBL4893.csv
@@ -0,0 +1,339 @@
+C=CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1,CHEMBL15789,8.4
+O=C(O)CC(c1ccccc1)c1cc(I)c(O)c(I)c1,CHEMBL82121,4.0
+O=C(O)CCc1cc(I)c(O)c(I)c1,CHEMBL83092,4.1
+CC(C)(C)OC(=O)c1ccccc1C(=O)c1ccc(OCCCOC(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)OC(C)(C)C)cc1,CHEMBL189314,6.0
+O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)OCCCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1,CHEMBL82941,6.1
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)C(c1ccccc1)c1ccccc1,CHEMBL294440,5.91
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL6873,5.22
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL6738,5.1
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL6360,5.15
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL6520,4.0
+CC(C)COC(=O)NC(C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(C(=O)O)cc1Cl)C(C)C,CHEMBL117241,5.573
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O,CHEMBL406172,4.7
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccc([N+](=O)[O-])cc1,CHEMBL265570,4.35
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1,CHEMBL263608,5.61
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(Cl)cc1,CHEMBL413262,4.8
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccccc1,CHEMBL262528,5.1
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCC(Cl)(Cl)Cl,CHEMBL6751,4.85
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccccc1[N+](=O)[O-],CHEMBL387089,5.05
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl,CHEMBL216755,6.7
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccccc1,CHEMBL268985,4.1
+CCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl,CHEMBL414008,6.05
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Sc1ccc(Cl)cc1,CHEMBL384151,4.0
+CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O,CHEMBL439178,5.0
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+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,CHEMBL501849,9.3
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,CHEMBL505440,10.3
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,CHEMBL3661083,8.3
+COc1ccc2c(O[C@H]3C[C@H]4C(=O)NCCCCCC=C[C@@H]5C[C@]5(C(=O)O)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,CHEMBL3661084,6.0
+COc1ccc2c(O[C@H]3C[C@H]4C(=O)NCCCCCC=C[C@@H]5C[C@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,CHEMBL3661085,8.03
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,CHEMBL3661086,10.0
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,CHEMBL3661087,9.52
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,CHEMBL444708,10.0
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,CHEMBL3661088,9.6
+COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,CHEMBL489267,10.0
diff --git a/chembl_200/CHEMBL4900.csv b/chembl_200/CHEMBL4900.csv
new file mode 100644
index 0000000000000000000000000000000000000000..102567747b438e89bdb46cbd3145b21d35fbbc71
--- /dev/null
+++ b/chembl_200/CHEMBL4900.csv
@@ -0,0 +1,345 @@
+CCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL208637,5.6
+COc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1,CHEMBL378627,5.91
+CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N,CHEMBL210618,5.287000000000001
+CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1Cl,CHEMBL377383,5.29
+Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,CHEMBL103667,5.5
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,5.7
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,5.6
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.6
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,5.3
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL590109,6.1
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,5.1
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.7
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,7.3
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.4
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.2
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.3
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.0
+COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1,CHEMBL1982880,5.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.1
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,5.3
+c1ccc(Cn2cc(-c3ccc4n[nH]cc4c3)nn2)cc1,CHEMBL1682345,5.4
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.8
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.7
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.2
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.3
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.4
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.9
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.7
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.7
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.0
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.9
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.5
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,6.5
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2n[nH]cc2c1,CHEMBL1981782,5.7
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.7
+Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,CHEMBL1995592,5.6
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,6.1
+CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,CHEMBL2003524,5.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.0
+CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,CHEMBL437747,8.1
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,6.0
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,8.1
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,5.9
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,5.5
+NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1972840,6.2
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.1
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,5.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,5.2
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.2
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,CHEMBL504950,6.3
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.1
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.0
+COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,CHEMBL1977041,5.1
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,CHEMBL1968070,5.2
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,6.1
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.1
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,6.6
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.9
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.0
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,5.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,5.9
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.2
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,6.0
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.8
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,7.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,5.5
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1,CHEMBL2007151,5.0
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,CHEMBL1972125,5.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.7
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.2
+NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,CHEMBL1090090,5.3
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,5.1
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1Cl,CHEMBL2006581,5.9
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.1
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.4
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.7
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.5
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,5.7
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,CHEMBL1999918,5.8
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.5
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.1
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,5.8
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.9
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,5.1
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.4
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.2
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.6
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12,CHEMBL1982476,5.9
+Fc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3n[nH]cc3c2)cc1,CHEMBL1682558,5.1
+Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,CHEMBL1990496,8.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.5
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1993166,6.0
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,6.7
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,5.5
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.2
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.5
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,6.3
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,5.9
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.6
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.5
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.1
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.2
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1,CHEMBL1968127,5.6
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.5
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.0
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,5.9
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.5
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,5.8
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.1
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,6.3
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.9
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1976093,5.5
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1996543,5.1
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.3
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.7
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.4
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.7
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.4
+COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC,CHEMBL1964399,6.2
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,6.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,5.8
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,5.9
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,5.6
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.2
+CCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N,CHEMBL209534,5.8
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.5
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,5.6
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.1
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.5
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,6.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.8
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.5
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.6
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,7.1
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.8
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.8
+CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C#N,CHEMBL424872,5.6
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.8
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.2
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.5
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.7
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.6
+CSc1c[nH]c2c(ccc3cnccc32)c1=O,CHEMBL2006933,6.2
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,5.2
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.7
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL2000685,6.5
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.2
+Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,5.5
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,5.9
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,CHEMBL2000271,6.4
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.3
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.2
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.1
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,7.1
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,5.7
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.7
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.4
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.9
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.3
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.0
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,6.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.2
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccsc2)n1,CHEMBL2006567,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,5.3
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.7
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,6.9
+Cn1ccc2c(-c3ccccc3F)nc(N(C(N)=O)c3c(F)cccc3F)nc21,CHEMBL1981723,5.5
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.1
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,6.0
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.2
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,6.9
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,5.1
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.5
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.3
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,6.2
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,7.7
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.2
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.1
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.3
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.5
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.3
+CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1,CHEMBL1978448,6.7
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21,CHEMBL2005548,5.1
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.1
+OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,CHEMBL2002373,5.3
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.4
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.6
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.4
+Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1996500,5.5
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.1
+CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1998551,5.4
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1977374,5.9
+COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,CHEMBL1991180,5.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.6
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.2
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.8
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.3
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,7.3
+CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2003657,7.6
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.7
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.4
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,6.5
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.6
+CC(C)COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1984842,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,CHEMBL1969102,5.8
+Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,5.2
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.3
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.2
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.9
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL2005792,5.2
+CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617,5.8
+CCOc1nc(C(=O)NCc2ccncc2)cc(N)c1C#N,CHEMBL1984206,5.2
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.4
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,6.3
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,6.0
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1971017,5.7
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.8
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.2
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,6.9
+CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,CHEMBL2000104,5.6
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.4
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,5.7
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,5.6
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,5.8
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.3
+CN1CCC1COc1cncc(CCc2ccncc2)c1,CHEMBL1996155,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.4
+CCCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1682359,5.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.5
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.9
+COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL207995,5.1
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1988995,5.7
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,6.0
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,5.9
+Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,CHEMBL1230122,5.2
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.2
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2C2CC2)cc1,CHEMBL1975418,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.8
+Cc1c(Cl)c(N2CCC(CN)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1999774,5.4
+OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,CHEMBL1973395,5.7
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.1
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,6.0
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.5
+COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl,CHEMBL1990212,5.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.0
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,6.3
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.2
+Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL316264,5.5
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,5.2
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1991678,5.8
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,6.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,6.1
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.2
+Cc1[nH]nc2ncc(C#N)c(-c3ccccc3)c12,CHEMBL1965495,5.1
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,7.9
+CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,CHEMBL1173055,5.3
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.7
+COc1cc(Nc2ncnc3ccc(-c4ccc(CN5CC6C(CO)C6C5)cc4)cc23)ccc1Oc1ccccc1,CHEMBL1999749,6.3
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1,CHEMBL2005375,5.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.8
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.6
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,5.2
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.5
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,CHEMBL474432,5.4
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,5.1
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,CHEMBL1999556,5.7
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,CHEMBL1968245,5.7
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.5
+O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3n[nH]cc3c2)c1=O,CHEMBL1979554,5.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,5.9
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,CHEMBL2004355,5.9
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,6.4
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,5.3
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.6
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,6.2
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.4
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.4
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,CHEMBL1991640,5.4
+Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,CHEMBL302449,7.8
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.5
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.5
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.1
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,7.4
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,6.2
+CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,CHEMBL1825138,5.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.5
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.8
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,7.3
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,CHEMBL1991728,6.2
+NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,CHEMBL1975787,5.9
+COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,CHEMBL2002407,5.4
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.8
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.3
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.4
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.8
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1987648,5.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.5
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,CHEMBL1980715,5.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.8
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,6.5
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL1966524,6.5
+O=c1c2c([nH]c3cc(-c4ccco4)nn13)CSC2,CHEMBL1972152,5.4
+COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL202635,5.1
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,5.6
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.8
+Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,5.5
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.6
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1972849,5.4
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,6.1
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,7.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,5.7
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.8
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,6.3
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.9
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.0
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.5
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,5.4
+CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,CHEMBL2205426,6.76
diff --git a/chembl_200/CHEMBL4908.csv b/chembl_200/CHEMBL4908.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e5c5701187962f34ff01d9c8f26b2bd899b507ae
--- /dev/null
+++ b/chembl_200/CHEMBL4908.csv
@@ -0,0 +1,931 @@
+O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669677,7.34
+O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669676,7.7
+O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669675,8.05
+CC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669674,7.59
+O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669673,7.09
+CC(C)Oc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669672,8.4
+CC(C)c1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669671,7.19
+O=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669670,7.41
+CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669669,9.05
+CCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669668,7.68
+O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669667,7.0
+O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1,CHEMBL1669666,7.92
+COc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669665,8.52
+Cc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1,CHEMBL1669664,7.8
+COc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1,CHEMBL1669663,5.22
+COc1cccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1,CHEMBL1669662,5.13
+COc1cccc(NC(=O)c2ccc(F)c(C)c2)c1,CHEMBL1669661,5.8
+COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1,CHEMBL1669660,6.16
+COc1cccc(NC(=O)c2ccc(F)c(F)c2)c1,CHEMBL1669659,6.64
+COc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1,CHEMBL1669658,6.83
+COc1cccc(NC(=O)c2ccc(F)c(C(C)=O)c2)c1,CHEMBL1669657,6.86
+COc1cccc(NC(=O)c2ccc(F)c(OC(F)(F)F)c2)c1,CHEMBL1669656,6.86
+COc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1,CHEMBL1669655,7.0
+COc1cccc(NC(=O)c2ccc(F)c(Br)c2)c1,CHEMBL1669654,7.25
+COc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1,CHEMBL1669653,7.52
+COc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)c1,CHEMBL1669652,6.58
+COc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1,CHEMBL1669651,7.68
+COc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1,CHEMBL1669650,7.43
+COc1cccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1,CHEMBL1669649,7.05
+COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1,CHEMBL1669648,6.72
+COc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1,CHEMBL1669647,6.79
+COc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1,CHEMBL1669646,6.99
+COc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1,CHEMBL1669645,7.92
+COc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1,CHEMBL1669644,7.89
+COc1cccc(NC(=O)c2ccc(N3CCC3)c([N+](=O)[O-])c2)c1,CHEMBL1669643,7.54
+COc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1,CHEMBL1669642,7.54
+COc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1,CHEMBL1669641,8.3
+COc1cccc(NC(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1,CHEMBL1669640,7.92
+CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-],CHEMBL1669639,8.4
+CCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-],CHEMBL1669638,7.62
+COc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1,CHEMBL1669637,5.72
+O=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1,CHEMBL1669636,7.27
+O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1,CHEMBL1669635,7.22
+COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1,CHEMBL1669634,7.6
+COc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1,CHEMBL1669633,8.7
+COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)c(F)c2)c1,CHEMBL1669632,8.4
+NC1=N[C@@H](CCOc2ccccc2)CO1,CHEMBL3652684,8.77
+NC1=N[C@@H](CCOc2ccc(F)cc2)CO1,CHEMBL3652685,8.55
+NC1=N[C@@H](CCOc2ccc(Cl)cc2)CO1,CHEMBL3652686,9.3
+NC1=N[C@@H](CCOc2cccc(C(F)(F)F)c2)CO1,CHEMBL3652687,9.05
+NC1=N[C@@H](CCOc2cccc(Cl)c2)CO1,CHEMBL3652688,9.52
+NC1=N[C@@H](CCOc2ccccc2Cl)CO1,CHEMBL3652689,8.39
+CC(C)(CC[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3652690,8.49
+NC1=N[C@@H](CCOc2ccc(F)c(Cl)c2)CO1,CHEMBL3652691,9.7
+NC1=N[C@@H](CCOc2ccc(F)c(F)c2)CO1,CHEMBL3652692,8.92
+NC1=N[C@@H](CCOc2ccc(F)cc2Cl)CO1,CHEMBL3652693,8.68
+NC1=N[C@@H](CCOc2ccc(F)cc2F)CO1,CHEMBL3652694,8.96
+CC(CC[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3652695,8.14
+CCC(CC[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3652696,8.25
+CC(CC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652697,8.92
+CCC(CC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652698,8.59
+NC1=N[C@@H](CCOc2cccc(OC(F)(F)F)c2)CO1,CHEMBL3652699,8.68
+COc1cccc(OCC[C@H]2COC(N)=N2)c1,CHEMBL3652700,8.6
+CC(C)c1cccc(OCC[C@H]2COC(N)=N2)c1,CHEMBL3652701,8.77
+NC1=N[C@@H](CC2CC2c2ccccc2)CO1,CHEMBL3652702,8.51
+CC(OC[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3652703,8.08
+CC(C)(CC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652704,8.52
+CC(C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1,CHEMBL3652705,9.15
+CCC(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1,CHEMBL3652706,8.77
+CCC(CC[C@H]1COC(N)=N1)c1cccc(C(F)(F)F)c1,CHEMBL3652707,8.89
+NC1=N[C@@H](CCC2(c3ccc(Cl)cc3)CC2)CO1,CHEMBL3652708,9.4
+NC1=N[C@@H](CCC2(c3ccccc3)CC2)CO1,CHEMBL3652709,9.3
+Cc1cccc(OCC[C@H]2COC(N)=N2)c1,CHEMBL3652710,9.15
+NC1=N[C@@H](CCOc2cccc(-c3ccccc3)c2)CO1,CHEMBL3652711,8.74
+NC1=N[C@@H](CCOc2cccc(OCc3ccccc3)c2)CO1,CHEMBL3652712,9.1
+NC1=N[C@@H](CCOc2cccc(Br)c2)CO1,CHEMBL3652713,10.0
+NC1=N[C@@H](CCOc2ccc(Oc3ccccc3)cc2)CO1,CHEMBL3652714,8.41
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1,CHEMBL3652715,8.55
+C[C@H](O)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C,CHEMBL3652716,8.21
+NC1=N[C@@H](CCOc2ccc(Cc3ccccc3)cc2)CO1,CHEMBL3652717,8.32
+NC1=N[C@@H](CCOc2ccc(-c3ccc(F)cc3)cc2)CO1,CHEMBL3652718,8.8
+NC1=N[C@@H](CCOc2ccc(Cl)c(F)c2)CO1,CHEMBL3652719,8.85
+NC1=N[C@@H](CCOc2ccc(Br)cc2)CO1,CHEMBL3652720,8.6
+NC1=N[C@@H](CCOc2ccc(Cl)c(Cl)c2)CO1,CHEMBL3652721,9.52
+NC1=N[C@@H](CCOc2ccc(Cl)cc2F)CO1,CHEMBL3652722,8.39
+COc1ccc(OCC[C@H]2COC(N)=N2)cc1,CHEMBL3652723,8.12
+NC1=N[C@@H](CCC2(c3ccc(F)cc3)CC2)CO1,CHEMBL3652724,8.6
+C[Si](C)(CC[C@H]1COC(N)=N1)c1cccc(Cl)c1,CHEMBL3652725,8.26
+N#Cc1cccc(OCC[C@H]2COC(N)=N2)c1,CHEMBL3652726,9.0
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1,CHEMBL3652727,8.12
+C[Si](C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1,CHEMBL3652728,8.34
+C[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1,CHEMBL3652729,8.92
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(F)c1,CHEMBL3652730,8.1
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(F)c1,CHEMBL3652731,8.44
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Br)cc1,CHEMBL3652732,8.62
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1,CHEMBL3652733,8.62
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1F,CHEMBL3652734,8.68
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1F,CHEMBL3652735,8.4
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1,CHEMBL3652736,9.0
+C[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(C#N)c1,CHEMBL3652737,8.04
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Oc2ccccc2)cc1,CHEMBL3652738,8.07
+C[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1,CHEMBL3652739,8.19
+C[C@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1,CHEMBL3652740,8.12
+C[C@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1,CHEMBL3652741,8.23
+NC1=N[C@@H](CCOc2ccc(C(F)(F)F)cc2)CO1,CHEMBL3652742,8.32
+NC1=N[C@@H](CCC2(c3ccc(F)cc3F)CC2)CO1,CHEMBL3652743,8.23
+CC(CCc1ccccc1)[C@H]1COC(N)=N1,CHEMBL3652744,8.1
+NC1=N[C@@H](CCC2(c3ccc(F)c(Cl)c3)CC2)CO1,CHEMBL3652745,9.22
+C[C@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1,CHEMBL3652746,8.21
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1,CHEMBL3652747,9.0
+NC1=N[C@@H](CCC2(c3ccc(F)c(F)c3)CC2)CO1,CHEMBL3652748,8.85
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1,CHEMBL3652749,8.8
+NC1=N[C@@H](CCC2(c3ccc(Cl)cc3)CCC2)CO1,CHEMBL3652750,8.23
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Br)cc1,CHEMBL3652751,9.0
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1,CHEMBL3652752,8.92
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(F)c1,CHEMBL3652753,8.43
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1F,CHEMBL3652754,8.72
+C[C@@H](CC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652755,8.51
+C[C@H](CC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652756,8.96
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1,CHEMBL3652757,8.49
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(F)c1,CHEMBL3652758,8.77
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1,CHEMBL3652759,8.85
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(C(F)(F)F)cc1,CHEMBL3652760,8.42
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1,CHEMBL3652761,9.15
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1F,CHEMBL3652762,8.19
+CCC(CC[C@H]1COC(N)=N1)c1cc(F)cc(F)c1,CHEMBL3652763,9.0
+COC(=O)c1cccc(OCC[C@H]2COC(N)=N2)c1,CHEMBL3652764,8.1
+NC1=N[C@@H](CCOc2cc(F)cc(F)c2)CO1,CHEMBL3652765,9.15
+NC1=N[C@@H](CCOc2cccc(C(=O)OCc3ccccc3)c2)CO1,CHEMBL3652766,9.4
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(OCc2ccccc2)c1,CHEMBL3652767,9.05
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(O)c1,CHEMBL3652768,8.43
+NC1=N[C@@H](CCC2(c3cc(F)cc(F)c3)CC2)CO1,CHEMBL3652769,8.89
+NC1=N[C@@H](CCC2(c3cc(F)cc(Cl)c3)CC2)CO1,CHEMBL3652770,9.05
+NC1=N[C@@H](CCC2(c3ccc(Br)cc3)CC2)CO1,CHEMBL3652771,9.3
+NC1=N[C@@H](CCSc2ccc(F)cc2)CO1,CHEMBL3652772,9.15
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1cc(F)c(F)cc1F,CHEMBL3652773,8.54
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc2ccccc2c1,CHEMBL3652774,8.96
+C[C@H](OC[C@H]1COC(N)=N1)c1ccc(F)cc1,CHEMBL3652775,8.49
+CC[C@H](OC[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3652776,8.14
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1Cl,CHEMBL3652777,8.96
+CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc2ncccc2c1,CHEMBL3639516,8.2
+NC1=N[C@@H](CCC(F)(F)c2ccc(F)cc2)CO1,CHEMBL3652778,8.66
+NC1=N[C@@H](CCCCc2ccccc2)CO1,CHEMBL3652779,8.82
+NC1=N[C@@H](CCc2ccc(Nc3cccc4cccnc34)cc2)CO1,CHEMBL3656474,8.46
+NC1=N[C@@H](CCc2ccc(Nc3cccc4ccccc34)cc2)CO1,CHEMBL3656475,8.68
+NC1=N[C@@H](CCc2ccc(Nc3ccc(F)cn3)cc2)CO1,CHEMBL3656476,8.66
+Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)c2ncccc2c1,CHEMBL3656477,8.68
+NC1=N[C@@H](CCc2ccc(Nc3cccc4cccc(Cl)c34)cc2)CO1,CHEMBL3656478,7.58
+NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3)cc2)CO1,CHEMBL3656479,9.7
+NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3F)cc2)CO1,CHEMBL3656480,8.77
+NC1=N[C@@H](CCc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CO1,CHEMBL3656481,9.7
+COc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cc1,CHEMBL3656482,8.49
+Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ccc1OC(F)(F)F,CHEMBL3656483,10.0
+NC1=N[C@@H](CCc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)CO1,CHEMBL3656484,9.7
+N#Cc1ccc(N(c2ccc(CC[C@H]3COC(N)=N3)cc2)c2ccc(C#N)cn2)nc1,CHEMBL3656485,6.95
+NC1=N[C@@H](CCc2ccc(Nc3ccccc3)cc2)CO1,CHEMBL3656486,8.89
+Cc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cc1,CHEMBL3656487,9.1
+NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cn3)cc2)CO1,CHEMBL3656488,9.3
+N#Cc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656489,8.82
+NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)ncn3)cc2)CO1,CHEMBL3656490,8.89
+NC1=N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)cc2)CO1,CHEMBL3656491,8.92
+NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)c(Cl)c3)cc2)CO1,CHEMBL3656492,9.7
+NC1=N[C@@H](CCc2ccc(Nc3ncc(F)cn3)cc2)CO1,CHEMBL3656493,7.65
+NC1=N[C@@H](CCc2ccc(Nc3ncccc3F)cc2)CO1,CHEMBL3656494,7.7
+NC1=N[C@@H](CCc2ccc(Nc3cc(F)ccn3)cc2)CO1,CHEMBL3656495,8.47
+NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)ccn3)cc2)CO1,CHEMBL3656496,9.52
+Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ncn1,CHEMBL3656497,7.74
+Cc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656498,8.46
+NC1=N[C@@H](CCc2ccc(Nc3cccc(C(F)(F)F)n3)cc2)CO1,CHEMBL3656499,9.15
+NC1=N[C@@H](CCc2ccc(Nc3cncc(Cl)n3)cc2)CO1,CHEMBL3656500,7.74
+NC1=N[C@@H](CCc2ccc(Nc3cccc(Cl)n3)cc2)CO1,CHEMBL3656501,9.0
+Cc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656502,7.51
+COc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656503,6.87
+N#Cc1cncc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656504,7.88
+NC1=N[C@@H](CCc2ccc(Nc3cc(Cl)ncn3)cc2)CO1,CHEMBL3656505,8.72
+COc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ncn1,CHEMBL3656506,8.02
+Cc1nccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656507,7.41
+NC1=N[C@@H](CCc2ccc(Nc3ccncn3)cc2)CO1,CHEMBL3656508,7.26
+COc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656509,8.33
+CCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656510,8.89
+COc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656511,8.15
+N#Cc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1,CHEMBL3656512,7.89
+NC1=N[C@@H](CCc2ccc(Nc3nccc(C(F)(F)F)n3)cc2)CO1,CHEMBL3656513,8.62
+NC1=N[C@@H](CCc2ccc(Nc3nccnc3Cl)cc2)CO1,CHEMBL3656514,7.23
+NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)cc(Cl)n3)cc2)CO1,CHEMBL3656515,9.1
+Cc1cncc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656516,6.97
+COc1nc(Cl)cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656517,9.0
+CSc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656518,8.11
+Cc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656519,7.98
+CC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656520,7.72
+Cc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1,CHEMBL3656521,7.78
+CCCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656522,9.15
+NC1=N[C@@H](CCc2ccc(Nc3cnc(Cl)nc3)cc2)CO1,CHEMBL3656523,7.66
+NC1=N[C@@H](CCc2ccc(Nc3ncc(Br)cn3)cc2)CO1,CHEMBL3656524,9.22
+C[C@@H]1OC(N)=N[C@H]1CCc1ccc(Nc2ncc(Cl)cn2)cc1,CHEMBL3656525,8.34
+CCC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656526,6.95
+NC1=N[C@@H](CCc2ccc(Nc3ncc(C4CC4)cn3)cc2)CO1,CHEMBL3656527,9.52
+CCOc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656528,8.3
+NC1=N[C@@H](CCc2ccc(Nc3ncc(C(F)(F)F)cn3)cc2)CO1,CHEMBL3656529,8.72
+CC(C)(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656530,9.3
+CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656531,9.7
+N#Cc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656532,8.1
+NC1=N[C@@H](CCc2ccc(Nc3ncc(C4CCC4)cn3)cc2)CO1,CHEMBL3656533,9.52
+CC(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3656534,9.15
+NC1=N[C@@H](CCc2ccc(NC(c3ccc(Br)cn3)C(F)(F)F)cc2)CO1,CHEMBL3656535,7.21
+NC1=N[C@@H](CCc2ccc(NC(c3ccc(Cl)cc3)C(F)(F)F)cc2)CO1,CHEMBL3660699,8.08
+NC1=N[C@@H](CCc2ccc(N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc2)CO1,CHEMBL3660700,7.2
+NC1=N[C@@H](CCc2ccc(NC(c3cccc(F)c3)C(F)(F)F)cc2)CO1,CHEMBL3660701,7.64
+NC1=N[C@@H](CCc2ccc(NC(c3ccc(C(F)(F)F)cc3)C(F)(F)F)cc2)CO1,CHEMBL3660702,7.39
+NC1=N[C@@H](CCc2ccc(NC(c3ccc(Cl)cn3)C(F)(F)F)cc2)CO1,CHEMBL3660703,7.19
+NC1=N[C@@H](CCc2ccc(NC(c3cc(Cl)cc(Cl)c3)C(F)(F)F)cc2)CO1,CHEMBL3660704,7.45
+COc1cccc(C(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)C(F)(F)F)n1,CHEMBL3660705,6.87
+NC1=N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)nc2)CO1,CHEMBL3660706,7.86
+Cc1cc(CC[C@H]2COC(N)=N2)ccc1Nc1ncc(Cl)cn1,CHEMBL3660707,8.72
+NC1=N[C@@H](CCc2ccc(Nc3ncc(OCC(F)(F)F)cn3)cc2)CO1,CHEMBL3660708,7.7
+CS(=O)(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3660709,7.34
+CS(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1,CHEMBL3660710,6.32
+NC1=N[C@@H](CCc2ccc(N[C@H](c3ccc(Cl)cc3)C(F)(F)F)cc2)CO1,CHEMBL3660711,7.61
+CCN(Cc1cnc[nH]1)c1ccccc1,CHEMBL2206403,8.21
+CN(Cc1cnc[nH]1)c1ccccc1,CHEMBL2206402,8.09
+CN(Cc1cnc[nH]1)c1cccc(F)c1,CHEMBL3642844,8.54
+CCN(Cc1cnc[nH]1)c1cccc(C)c1,CHEMBL3642845,8.74
+CC(C)N(Cc1cnc[nH]1)c1ccccc1,CHEMBL2206404,8.34
+CN(Cc1cnc[nH]1)c1cccc(Cl)c1,CHEMBL2206384,8.89
+CN(Cc1cnc[nH]1)c1ccc(Cl)cc1,CHEMBL3645376,8.35
+Clc1cccc(N(Cc2cnc[nH]2)Cc2ccccc2Cl)c1,CHEMBL3645377,8.41
+Clc1cccc(CN(Cc2cnc[nH]2)c2cccc(Cl)c2)c1,CHEMBL3645378,8.11
+Clc1ccc(CN(Cc2cnc[nH]2)c2cccc(Cl)c2)cc1,CHEMBL3645379,8.23
+Clc1cccc(N(Cc2ccccc2)Cc2cnc[nH]2)c1,CHEMBL3645380,8.11
+CC(C)N(Cc1cnc[nH]1)c1cccc(Cl)c1,CHEMBL2206890,8.92
+COc1cccc(N(Cc2cnc[nH]2)C(C)C)c1,CHEMBL2206381,8.26
+Cc1cccc(N(Cc2cnc[nH]2)C(C)C)c1,CHEMBL3645381,8.47
+CC(C)N(Cc1cnc[nH]1)c1cccc(C(F)(F)F)c1,CHEMBL3645382,8.64
+CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1,CHEMBL2206375,8.51
+CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(C(F)(F)F)c1,CHEMBL3645383,8.35
+CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1,CHEMBL2206376,8.92
+CC(C)N(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)c(Cl)c1,CHEMBL3645384,8.55
+Clc1cccc(N(Cc2cnc[nH]2)CC2CC2)c1,CHEMBL3645385,9.05
+CC(C1CC1)N(Cc1cnc[nH]1)c1cccc(Cl)c1,CHEMBL3645386,8.4
+CC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Cl)c1,CHEMBL3645387,8.82
+CCN(Cc1cnc[nH]1)c1ccc(Cl)cc1,CHEMBL3645388,8.85
+CCN(Cc1cnc[nH]1)c1ccc(F)c(F)c1,CHEMBL3645389,8.85
+CC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1,CHEMBL2206380,8.09
+CC(C)N(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)cc1,CHEMBL3645390,8.17
+CC(C)N(Cc1cnc[nH]1)c1ccc2ccccc2c1,CHEMBL3645391,8.09
+CC(C)N(Cc1cnc[nH]1)c1ccc2c(c1)CCC2,CHEMBL3645392,8.26
+CC(C)N(Cc1cnc[nH]1)c1cc(F)cc(Cl)c1,CHEMBL3645393,8.96
+CC(C)N(Cc1cnc[nH]1)c1ccc(F)c(F)c1,CHEMBL3645394,8.28
+CC(C)N(Cc1cnc[nH]1)c1cc(Cl)ccc1F,CHEMBL3645395,8.28
+CCN(Cc1cnc[nH]1)c1cccc(Cl)c1F,CHEMBL3645396,8.44
+CCN(Cc1cnc[nH]1)c1ccc2ccccc2c1,CHEMBL3645397,8.92
+CC(C)N(Cc1cnc[nH]1)c1cc(F)cc(F)c1,CHEMBL3645398,8.52
+COc1c(F)ccc(N(Cc2cnc[nH]2)C(C)C)c1F,CHEMBL3645399,8.22
+Cc1cc(N(Cc2cnc[nH]2)C(C)C)ccc1F,CHEMBL3645400,8.39
+CC(C)Oc1cccc(N(Cc2cnc[nH]2)C(C)C)c1,CHEMBL3645401,8.17
+COc1cccc(N(Cc2cnc[nH]2)C(C)C)n1,CHEMBL2206388,8.62
+CC(C)N(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1,CHEMBL3645402,8.39
+CC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)F)c1,CHEMBL3645403,8.05
+CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1,CHEMBL3645404,8.68
+CC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)C(F)F)c1,CHEMBL3645405,8.36
+Cc1ccc(N(Cc2cnc[nH]2)C(C)C)cc1Cl,CHEMBL3645406,8.64
+CCN(Cc1cnc[nH]1)c1ccc(C)c(C)c1,CHEMBL3645407,8.41
+CC(C)N(Cc1cnc[nH]1)c1ccc(OCc2ccccc2)c(Cl)c1,CHEMBL3645408,8.11
+CCN(Cc1cnc[nH]1)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,CHEMBL3645409,8.41
+CC(C)N(Cc1cnc[nH]1)c1cccc(Cc2ccccc2)c1,CHEMBL3645410,8.82
+CC(C)N(Cc1cnc[nH]1)c1cccc(-c2ccccc2)c1,CHEMBL3645411,8.1
+CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccc(Cl)cc2)c1,CHEMBL3645412,8.09
+c1ccc(Nc2ccc(NCc3cnc[nH]3)cc2)cc1,CHEMBL3645413,8.03
+CCN(Cc1cnc[nH]1)c1ccc(CCc2ccc(Cl)cc2)cc1,CHEMBL3645414,8.14
+CC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Br)c1,CHEMBL3645415,8.6
+CN(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1,CHEMBL3645416,8.44
+Fc1cc(Cl)cc(NCc2cnc[nH]2)c1,CHEMBL3645417,8.59
+Fc1cc(NCc2cnc[nH]2)ccc1Br,CHEMBL3645418,8.01
+Fc1ccc(NCc2cnc[nH]2)cc1Br,CHEMBL3645419,8.29
+COc1cccc(N(C)Cc2cnc[nH]2)c1,CHEMBL3645420,8.05
+CCN(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1,CHEMBL3645421,8.62
+CN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1,CHEMBL3645422,8.85
+CCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1,CHEMBL3645423,9.0
+CCN(Cc1cnc[nH]1)c1cccc(OC)c1,CHEMBL3645424,8.1
+CCN(Cc1cnc[nH]1)c1ccc(F)c(OC)c1,CHEMBL3645425,8.32
+CCN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1,CHEMBL3645426,8.38
+Clc1cccc(Oc2cccc(NCc3cnc[nH]3)c2)c1,CHEMBL3645427,8.55
+Fc1ccc(NCc2cnc[nH]2)cc1Oc1ccccc1,CHEMBL3645428,8.08
+COc1cc(N(Cc2cnc[nH]2)C(C)C)ccc1Cl,CHEMBL3645429,8.3
+CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2cccc(Cl)c2)c1,CHEMBL3645430,8.3
+CC(C)N(Cc1cnc[nH]1)c1cccc(COc2ccccc2)c1,CHEMBL3645431,8.7
+CC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Oc2ccccc2)c1,CHEMBL3645432,8.52
+Brc1cccc(NCc2cnc[nH]2)c1,CHEMBL3645433,9.0
+FC(F)(F)c1cc(Br)cc(NCc2cnc[nH]2)c1,CHEMBL3645434,9.0
+CC(C)c1cccc(NCc2cnc[nH]2)c1,CHEMBL3645435,8.7
+CCN(Cc1cnc[nH]1)c1nc(Cl)cc(Cl)n1,CHEMBL3645436,8.4
+CC(C)N(Cc1cnc[nH]1)c1cccc(Br)c1,CHEMBL3645437,9.0
+CC(C)N(Cc1cnc[nH]1)c1cccc(Br)n1,CHEMBL3645438,8.4
+CCN(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1,CHEMBL3645439,9.0
+CCN(Cc1cnc[nH]1)c1cccc(Br)c1,CHEMBL3645440,9.0
+Fc1cc(F)cc(NCc2cnc[nH]2)c1,CHEMBL3645441,8.22
+Brc1ccc(NCc2cnc[nH]2)cc1Br,CHEMBL3645442,8.4
+Fc1ccc(NCc2cnc[nH]2)cc1Cl,CHEMBL3645443,8.4
+CN(Cc1cnc[nH]1)c1cccc(Br)c1,CHEMBL3645444,8.7
+CN(Cc1cnc[nH]1)c1ccc(F)c(F)c1,CHEMBL3645445,8.15
+CN(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1,CHEMBL3645446,8.7
+CN(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1,CHEMBL3645447,9.0
+CN(Cc1cnc[nH]1)c1cc(F)cc(F)c1,CHEMBL3645448,8.15
+CC(C)N(Cc1cnc[nH]1)c1ccc(Br)cc1,CHEMBL3645463,8.4
+CC(C)N(Cc1cnc[nH]1)c1ccc(Br)c(Br)c1,CHEMBL3645449,9.0
+CCN(Cc1cnc[nH]1)c1ccc(Br)cc1,CHEMBL3645450,8.52
+CCN(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1,CHEMBL3645451,9.0
+CCN(Cc1cnc[nH]1)c1cccc(Cl)c1,CHEMBL2206385,9.0
+CCN(Cc1cnc[nH]1)c1ccc(Br)c(F)c1,CHEMBL3639443,8.7
+CCN(Cc1cnc[nH]1)c1cc(F)cc(F)c1,CHEMBL3645452,8.7
+CCN(Cc1cnc[nH]1)c1ccc(Cl)c(F)c1,CHEMBL3645453,8.7
+CCN(Cc1cnc[nH]1)c1cc(F)cc(Cl)c1,CHEMBL3645454,9.0
+CCN(Cc1cnc[nH]1)c1ccc(F)c(Br)c1,CHEMBL3645455,8.52
+CCN(Cc1cnc[nH]1)c1ccc(F)c(Cl)c1,CHEMBL3645456,9.0
+CCN(Cc1cnc[nH]1)c1ccc(Cl)c(OC)c1,CHEMBL3645457,8.7
+Clc1cc(NCc2cnc[nH]2)ccc1Br,CHEMBL3645458,8.7
+FC(F)(F)Oc1ccc(NCc2cnc[nH]2)cc1Cl,CHEMBL3645459,8.7
+CC(C)N(Cc1cnc[nH]1)c1ccc(Br)c(Cl)c1,CHEMBL3645460,9.0
+CCN(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)c(Cl)c1,CHEMBL3645461,9.0
+CC(C)N(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1,CHEMBL2206377,9.0
+CN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1,CHEMBL3645462,8.17
+NC1=NC(c2ccc(Cl)cc2C(F)(F)F)CO1,CHEMBL3684829,8.27
+NC1=N[C@@H](CCc2ccccc2)CO1,CHEMBL3680146,9.1
+CC1(c2cc(F)c(Cl)cc2F)COC(N)=N1,CHEMBL3684858,8.89
+NC1=NC(c2ccc(Cl)cc2Cl)CO1,CHEMBL3684836,9.0
+Cc1cccc(CC[C@H]2COC(N)=N2)c1,CHEMBL3680165,10.0
+NC1=N[C@@H](c2cc(F)c(F)c(F)c2)CO1,CHEMBL3684793,8.96
+NC1=N[C@@H](c2ccc(Br)cc2)CO1,CHEMBL3680157,9.15
+NC1=N[C@@H](CC2(c3ccc(Cl)cc3)CC2)CO1,CHEMBL3684851,8.13
+NC1=NC(c2cccc(F)c2C(F)(F)F)CO1,CHEMBL3684917,8.02
+NC1=NC(c2ccc(Br)c(Cl)c2)CO1,CHEMBL3684889,9.0
+NC1=N[C@@H](CSc2ccc(Cl)cc2)CO1,CHEMBL3684916,8.43
+NC1=N[C@@H](c2ccc(F)c(Cl)c2)CO1,CHEMBL3684794,8.72
+NC1=N[C@H](CCc2ccccc2)CO1,CHEMBL3684919,8.08
+C[C@]1(CCc2cccc(Cl)c2)COC(N)=N1,CHEMBL3684843,8.26
+C[C@]1(CCc2ccc(Cl)cc2Cl)COC(N)=N1,CHEMBL3684878,8.48
+NC1=NC(c2ccc(-c3ccccc3)cc2)CO1,CHEMBL3680122,8.6
+NC1=NC(c2ccc(Cl)cc2)CO1,CHEMBL3680117,8.68
+NC1=NC(c2ccccc2C(F)(F)F)CO1,CHEMBL3680118,8.42
+NC1=N[C@@H](CCc2cc(Cl)cc(Cl)c2)CO1,CHEMBL3684768,8.92
+NC1=N[C@@H](c2cc(F)c(F)cc2F)CO1,CHEMBL3680158,8.4
+Cc1cc(CC[C@H]2COC(N)=N2)ccc1F,CHEMBL3684769,9.0
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+CC[C@]1(c2ccc(Cl)c(Cl)c2)COC(N)=N1,CHEMBL3684890,8.28
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+Cc1cc(CC[C@H]2COC(N)=N2)ccn1,CHEMBL3684823,8.08
+CC1(CCc2ccccc2)COC(N)=N1,CHEMBL3680145,8.19
+Cc1ccc([C@H]2COC(N)=N2)cc1Cl,CHEMBL3684918,9.22
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+NC1=NC(c2cc(Cl)c(Cl)cc2C(F)(F)F)CO1,CHEMBL3684835,8.03
+NC1=N[C@@H](CCc2cc(C(F)(F)F)ccc2F)CO1,CHEMBL3684782,8.19
+NC1=N[C@@H](CCc2ccc(Cl)cc2)CO1,CHEMBL3684850,9.22
+NC1=N[C@H](c2cc(Cl)c(Cl)cc2C(F)(F)F)CO1,CHEMBL3684921,8.03
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+CC(C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1,CHEMBL3684813,8.77
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+CCC(C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1,CHEMBL3684814,8.41
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+CC(Cc1ccccc1)[C@H]1COC(N)=N1,CHEMBL3684781,8.47
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+Cc1ccc(CC[C@H]2COC(N)=N2)cc1,CHEMBL3680166,8.92
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+C[C@]1(c2cc(F)c(F)c(F)c2)COC(N)=N1,CHEMBL3684879,8.57
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+NC1=NC(c2ccc(OCc3ccccc3)cc2)CO1,CHEMBL3680130,8.96
+NC1=N[C@@H](CCc2ccc(Cl)cc2F)CO1,CHEMBL3684763,9.15
+NC1=N[C@@H](c2ccccc2Cl)CO1,CHEMBL3680116,8.92
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+C[C@]1(c2cccc(C(F)(F)F)c2)COC(N)=N1,CHEMBL3684822,9.05
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+NC1=NC(c2cc(Cl)ccc2C(F)(F)F)CO1,CHEMBL3684828,8.21
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+Cc1ccc(C2COC(N)=N2)cc1Cl,CHEMBL3684904,8.62
+NC1=N[C@@H](CCc2cccc(C(F)(F)F)c2)CO1,CHEMBL3680169,8.85
+NC1=NC(c2ccc(F)cc2C(F)(F)F)CO1,CHEMBL3684827,8.2
+NC1=N[C@@H](CCc2cc(C(F)(F)F)ccc2C(F)(F)F)CO1,CHEMBL3684785,8.55
+NC1=NC(c2cccc(Cl)c2)CO1,CHEMBL3684799,8.3
+NC1=N[C@H](c2ccc(F)cc2F)CO1,CHEMBL3680138,8.06
+NC1=NC(c2ccc(Cl)c(Cl)c2)CO1,CHEMBL3680124,9.3
+NC1=N[C@@H](CCc2cccc(OC(F)(F)C(F)F)c2)CO1,CHEMBL3684770,8.57
+C[C@]1(c2cc(Cl)ccc2F)COC(N)=N1,CHEMBL3684857,8.8
+NC1=NC(c2ccc(Br)cc2Cl)CO1,CHEMBL3684868,9.1
+NC1=N[C@@H](CCc2cccc(Br)c2)CO1,CHEMBL3684772,9.15
+CC1(c2c(F)ccc(F)c2F)COC(N)=N1,CHEMBL3684830,8.09
+NC1=NC(c2ccc(Br)cc2F)CO1,CHEMBL3684902,8.64
+NC1=N[C@@H](c2cccc(Cl)c2)CO1,CHEMBL3684805,8.72
+Cc1cc(F)ccc1C1COC(N)=N1,CHEMBL3684894,8.47
+NC1=NC(c2cc(F)ccc2C(F)(F)F)CO1,CHEMBL3684845,8.12
+NC1=N[C@@H](Cc2cccc(C(F)(F)F)c2)CO1,CHEMBL3680143,8.07
+Cc1ccccc1C1COC(N)=N1,CHEMBL3680120,8.24
+NC1=NC(c2cccc(Br)c2)CO1,CHEMBL3684800,8.35
+C[C@]1(CCc2ccccc2Cl)COC(N)=N1,CHEMBL3684831,8.4
+C[C@]1(c2cc(F)cc(Cl)c2)COC(N)=N1,CHEMBL3684855,8.8
+NC1=N[C@@H](CCc2ccc(F)c(C(F)(F)F)c2)CO1,CHEMBL3684764,8.66
+C[C@]1(c2cc(F)c(Cl)cc2F)COC(N)=N1,CHEMBL3684867,8.77
+NC1=N[C@@H](CCc2cccc(C(F)(F)F)c2F)CO1,CHEMBL3684771,8.74
+NC1=N[C@@H](CCc2ccc(F)cc2F)CO1,CHEMBL3680152,9.0
+Cc1cc([C@@]2(C)COC(N)=N2)c(F)cc1Cl,CHEMBL3684880,9.05
+C[C@]1(c2cc(F)ccc2F)COC(N)=N1,CHEMBL3684801,8.68
+NC1=N[C@@H](c2cccc(C(F)(F)F)c2)CO1,CHEMBL3684780,8.08
+NC1=N[C@@H](c2ccc(F)c(Br)c2F)CO1,CHEMBL3680131,8.27
+Cc1ccc([C@@]2(C)COC(N)=N2)cc1,CHEMBL3684786,8.21
+NC1=N[C@@H](CCc2cccc(Cl)c2)CO1,CHEMBL3684834,9.22
+NC1=N[C@@H](CCc2ccc(F)cc2)CO1,CHEMBL3680150,8.96
+NC1=N[C@H](c2ccc(Cl)cc2Cl)CO1,CHEMBL3684872,8.09
+C[C@]1(CCc2ccc(Cl)cc2)COC(N)=N1,CHEMBL3684842,8.24
+NC1=NC(c2ccc(-c3ccc(Cl)cc3)cc2)CO1,CHEMBL3680132,8.66
+NC1=N[C@@H](CCc2ccc(Cl)c(C(F)(F)F)c2)CO1,CHEMBL3684773,8.92
+NC1=N[C@@H](COc2ccc(F)cc2)CO1,CHEMBL3684818,8.52
+NC1=NC(c2cccc3ccccc23)CO1,CHEMBL3680135,8.96
+CCC(C[C@H]1COC(N)=N1)c1ccc(F)c(Cl)c1,CHEMBL3684908,8.37
+NC1=N[C@@H](c2ccc(Cl)cc2Cl)CO1,CHEMBL3684922,9.4
+NC1=N[C@@H](c2cc(Cl)ccc2C(F)(F)F)CO1,CHEMBL3684897,8.34
+CCc1cc(Cl)ccc1[C@H]1COC(N)=N1,CHEMBL3684912,8.7
+NC1=NC(c2cc(Cl)ccc2F)CO1,CHEMBL3680127,8.74
+Cc1c(F)cccc1C1COC(N)=N1,CHEMBL3684913,8.54
+CC1(c2cc(F)c(F)c(F)c2)COC(N)=N1,CHEMBL3684860,8.02
+NC1=N[C@@H](c2ccc(Br)cc2F)CO1,CHEMBL3684914,9.0
+NC1=N[C@@H](COCc2ccccc2)CO1,CHEMBL3684903,8.19
+NC1=N[C@@H](CCc2cccc(C(F)(F)F)c2Cl)CO1,CHEMBL3684779,9.0
+C[C@]1(c2ccc(F)cc2F)COC(N)=N1,CHEMBL3684815,8.49
+C[C@]1(c2ccc(F)c(Cl)c2)COC(N)=N1,CHEMBL3684862,8.8
+CC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3684869,8.46
+COc1ccc([C@H]2COC(N)=N2)cc1Cl,CHEMBL3684762,8.62
+NC1=N[C@@H](COc2cccc(Cl)c2)CO1,CHEMBL3684899,8.55
+NC1=N[C@@H](CCc2cc(F)cc(C(F)(F)F)c2)CO1,CHEMBL3684784,9.0
+COc1ccc(C2COC(N)=N2)cc1C,CHEMBL3680136,8.48
+NC1=N[C@@H](c2ccc(F)cc2C(F)(F)F)CO1,CHEMBL3684844,8.54
+NC1=N[C@@H](c2cc(F)cc(F)c2F)CO1,CHEMBL3680167,8.52
+NC1=N[C@@H](c2ccc(Cl)cc2C(F)(F)F)CO1,CHEMBL3684839,8.52
+NC1=N[C@@H](c2cccc(Cl)c2Cl)CO1,CHEMBL3684791,9.22
+CCC(C[C@H]1COC(N)=N1)c1cccc(Cl)c1F,CHEMBL3684907,8.37
+C[C@]1(c2ccc(Cl)cc2)COC(N)=N1,CHEMBL3684766,8.42
+CC1(c2cc(Cl)ccc2Cl)COC(N)=N1,CHEMBL3684874,8.38
+NC1=NC(c2ccc3ccccc3c2)CO1,CHEMBL3680134,9.15
+NC1=N[C@@H](c2cc(Cl)c(Cl)cc2C(F)(F)F)CO1,CHEMBL3684841,8.14
+C[C@]1(c2ccccc2Cl)COC(N)=N1,CHEMBL3684797,8.06
+NC1=N[C@@H](c2ccc(F)c(F)c2)CO1,CHEMBL3684790,8.33
+NC1=N[C@H](CCc2ccc(Cl)c(Cl)c2)CO1,CHEMBL3684759,8.36
+NC1=N[C@@H](c2ccc(Br)cc2C(F)(F)F)CO1,CHEMBL3684895,8.51
+NC1=N[C@@H](CCc2cccc(C(F)(F)F)n2)CO1,CHEMBL3684817,8.17
+NC1=NC(c2ccc(Br)cc2)CO1,CHEMBL3680128,9.05
+NC1=N[C@@H](CCc2cc(F)cc(F)c2)CO1,CHEMBL3680163,8.8
+NC1=N[C@@H](CCc2ccc(Cl)c(Cl)c2)CO1,CHEMBL3684760,9.52
+CC(C[C@H]1COC(N)=N1)c1ccc(Cl)c(Cl)c1,CHEMBL3684824,8.66
+NC1=N[C@@H](CCc2cccc(F)c2)CO1,CHEMBL3680162,8.92
+C[C@]1(c2ccc(Br)cc2)COC(N)=N1,CHEMBL3684833,8.6
+CCC(C[C@H]1COC(N)=N1)c1ccc(Cl)c(Cl)c1,CHEMBL3684825,8.32
+Cc1ccc(Cl)cc1C1COC(N)=N1,CHEMBL3684859,8.89
+COc1ccc(C2COC(N)=N2)c(C(F)(F)F)c1,CHEMBL3684832,8.52
+CCC(C[C@H]1COC(N)=N1)c1ccc(Cl)cc1,CHEMBL3684787,8.6
+NC1=NC(c2cc(Cl)cc(Cl)c2)CO1,CHEMBL3684803,9.1
+NC1=N[C@@H](CCc2ccccc2F)CO1,CHEMBL3680161,8.96
+NC1=NC(c2cccc(Cl)c2F)CO1,CHEMBL3680126,8.66
+C[C@]1(c2ccc(C(F)(F)F)cc2F)COC(N)=N1,CHEMBL3684819,8.62
+NC1=NC(c2ccc(Br)cc2C(F)(F)F)CO1,CHEMBL3684876,8.77
+C[C@H](C[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3684920,8.8
+NC1=N[C@@H](CSc2ccccc2)CO1,CHEMBL3684808,8.74
+NC1=N[C@@H](c2cc(F)ccc2F)CO1,CHEMBL3680155,8.47
+NC1=N[C@@H](c2cccc(F)c2F)CO1,CHEMBL3680121,8.47
+NC1=N[C@@H](c2cccc(F)c2)CO1,CHEMBL3684811,8.03
+CCC(C[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3684788,8.43
+NC1=N[C@@H](c2cc(Cl)ccc2F)CO1,CHEMBL3684804,9.1
+NC1=N[C@@H](CCc2cccc(Cl)c2Cl)CO1,CHEMBL3684777,8.72
+NC1=N[C@@H](CCc2ccc(OC(F)(F)F)c(F)c2)CO1,CHEMBL3684774,8.59
+C[C@@]1(c2ccccc2F)COC(N)=N1,CHEMBL3684809,8.18
+COc1ccc(C2COC(N)=N2)cc1Cl,CHEMBL3680137,8.47
+NC1=NC(c2cc(Cl)ccc2Cl)CO1,CHEMBL3684853,8.89
+CC[C@H](C[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3684870,8.21
+COc1ccc([C@H]2COC(N)=N2)cc1C,CHEMBL3684761,8.54
+CC1(c2cc(F)c(F)cc2F)COC(N)=N1,CHEMBL3684847,8.07
+NC1=N[C@@H](CC2(c3ccccc3)CC2)CO1,CHEMBL3684898,8.35
+CCc1cc(Cl)ccc1C1COC(N)=N1,CHEMBL3684900,8.6
+NC1=N[C@@H](CCc2ccncc2F)CO1,CHEMBL3684783,8.17
+NC1=NC(c2ccc(Cl)cc2C2CC2)CO1,CHEMBL3684911,8.68
+COc1cc(CC[C@H]2COC(N)=N2)ccc1F,CHEMBL3680151,9.1
+Cc1ccc(F)c(CC2COC(N)=N2)c1,CHEMBL3680144,8.05
+COc1ccc([C@H]2COC(N)=N2)c(C(F)(F)F)c1,CHEMBL3684840,8.49
+C[C@]1(c2ccc(Cl)c(Cl)c2)COC(N)=N1,CHEMBL3684765,9.05
+C[C@]1(CCc2ccc(F)cc2)COC(N)=N1,CHEMBL3684849,8.13
+NC1=NC(c2ccc(F)cc2F)CO1,CHEMBL3680119,8.08
+NC1=N[C@@H](COc2ccccc2F)CO1,CHEMBL3684906,9.52
+Cc1cc(C2(C)COC(N)=N2)ccc1Cl,CHEMBL3639837,8.64
+Cc1cc(F)ccc1[C@H]1COC(N)=N1,CHEMBL3684901,8.44
+Cc1ccc(F)cc1C1COC(N)=N1,CHEMBL3684846,8.66
+C[C@@H](C[C@H]1COC(N)=N1)c1ccccc1,CHEMBL3680148,8.1
+NC1=N[C@@H](c2ccc(Cl)cc2)CO1,CHEMBL3684792,8.85
+NC1=N[C@@H](c2ccc(Cl)cc2C2CC2)CO1,CHEMBL3684915,9.05
+NC1=N[C@@H](CCc2ccccc2C(F)(F)F)CO1,CHEMBL3680160,8.74
+NC1=N[C@@H](CCc2ccc(OC(F)(F)F)c(Cl)c2)CO1,CHEMBL3684778,9.05
+NC1=NC(C2CCc3ccccc3C2)CO1,CHEMBL3680149,8.77
+CCC(C[C@H]1COC(N)=N1)c1cc(Cl)ccc1F,CHEMBL3684910,8.08
+NC1=N[C@@H](Cc2ccc3ccccc3c2)CO1,CHEMBL3680141,8.27
+CCC(C[C@H]1COC(N)=N1)c1ccc(F)c(F)c1,CHEMBL3684816,8.62
+NC1=N[C@@H](c2ccccc2Br)CO1,CHEMBL3684854,9.05
+C[C@]1(c2ccc(Cl)c(F)c2)COC(N)=N1,CHEMBL3684837,8.7
+CC(C[C@H]1COC(N)=N1)c1ccccc1F,CHEMBL3684821,8.82
+CCC(C[C@H]1COC(N)=N1)c1cccc(F)c1,CHEMBL3684896,8.7
+Cc1cc(C2(C)COC(N)=N2)c(F)cc1Cl,CHEMBL3684861,8.96
+NC1=NC(c2cc(F)ccc2F)CO1,CHEMBL3680125,8.32
+C[C@]1(CCc2ccccc2)COC(N)=N1,CHEMBL3680147,8.19
+NC1=N[C@@H](c2ccc(Br)c(Cl)c2)CO1,CHEMBL3684891,9.1
+NC1=N[C@@H](c2cc(Cl)cc(Cl)c2)CO1,CHEMBL3684812,9.7
+NC1=N[C@@H](c2cc(Cl)ccc2Cl)CO1,CHEMBL3684873,9.4
+NC1=NC(c2cccc(F)c2)CO1,CHEMBL3684802,8.42
+CCC(C[C@H]1COC(N)=N1)c1cc(F)cc(Cl)c1,CHEMBL3684909,8.17
+NC1=N[C@@H](Cc2ccccc2Cl)CO1,CHEMBL3680142,8.33
+NC1=N[C@@H](c2cccc(Br)c2)CO1,CHEMBL3684810,8.7
+NC1=N[C@@H](c2ccc(F)c(F)c2F)CO1,CHEMBL3684875,8.64
+CC(C[C@H]1COC(N)=N1)c1ccc(C(F)(F)F)cc1,CHEMBL3684789,8.92
+Cc1ccccc1[C@@H]1COC(N)=N1,CHEMBL3680139,8.6
+NC1=N[C@@H](c2cc(F)cc(Cl)c2)CO1,CHEMBL3684796,9.4
+CC1(c2ccc(Cl)cc2Cl)COC(N)=N1,CHEMBL3684871,8.42
+NC1=NC(c2ccccc2Br)CO1,CHEMBL3684838,8.6
+NC1=N[C@@H](c2cc(F)cc(F)c2)CO1,CHEMBL3684795,8.7
+NC1=NC(c2ccc3c(c2)OCCO3)CO1,CHEMBL3680133,8.54
+C[C@]1(c2ccc(C(F)(F)F)cc2)COC(N)=N1,CHEMBL3684776,8.39
+NC1=N[C@@H](c2ccc3ccccc3c2)CO1,CHEMBL3680156,9.4
+NC1=N[C@@H](Cc2cccc3ccccc23)CO1,CHEMBL3680140,9.7
+NC1=N[C@@H](CCc2c(F)cccc2Cl)CO1,CHEMBL3684877,8.96
+NC1=N[C@@H](CCc2ccc(F)c(OC(F)(F)F)c2)CO1,CHEMBL3684775,8.39
+Cc1ccccc1CC[C@H]1COC(N)=N1,CHEMBL3680164,8.68
+CCC(C[C@H]1COC(N)=N1)c1ccccc1F,CHEMBL3684826,8.23
+NC1=NC(c2ccc(Br)c(F)c2)CO1,CHEMBL3684848,8.1
+NC1=N[C@@H](COc2ccc(Cl)cc2)CO1,CHEMBL3684820,8.7
+NC1=N[C@@H](CCc2ccc(C(F)(F)F)c(F)c2)CO1,CHEMBL3684767,8.6
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1[nH]nc2cc(F)ccc12,CHEMBL3672946,9.0
+O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1[nH]nc2cc(F)ccc12,CHEMBL3672947,8.92
+N#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3672948,8.8
+N#Cc1cccc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1,CHEMBL3672949,8.77
+N#Cc1cccc(NC(=O)Nc2ccc(C3CNCCO3)cc2Cl)c1,CHEMBL3672950,8.92
+N#Cc1cccc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)c1,CHEMBL3677871,8.92
+N#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1,CHEMBL3672951,8.82
+O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1F,CHEMBL3672952,8.59
+O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3672953,8.77
+O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1F,CHEMBL3672954,8.48
+O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3672955,8.46
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1,CHEMBL3672956,8.59
+O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1,CHEMBL3672957,8.96
+O=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CNCCO2)cc1Cl,CHEMBL3672958,8.8
+N#Cc1cccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3672959,8.13
+N#Cc1cccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1,CHEMBL3672960,8.51
+Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3672961,7.82
+O=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1,CHEMBL3672962,8.92
+O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl,CHEMBL3677872,8.85
+O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Cl,CHEMBL3672963,8.92
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1cnn(-c2ccc(F)cc2)c1,CHEMBL3672964,8.49
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+COc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)cc(Cl)n1,CHEMBL3672967,8.49
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+N#Cc1cc(F)cc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1,CHEMBL3672969,8.92
+N#Cc1cc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)ccc1F,CHEMBL3672970,8.55
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+O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1,CHEMBL3672973,7.49
+O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1,CHEMBL3639718,8.77
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1,CHEMBL3672974,8.54
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+O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1,CHEMBL3672978,7.86
+O=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CNCCO2)cc1Br,CHEMBL3672979,8.82
+O=C(Nc1ccc(Cl)nc1)Nc1ccc(C2CCNC2)cc1Cl,CHEMBL3672980,8.54
+COc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3672981,8.52
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+N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1,CHEMBL3672989,8.7
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+O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl,CHEMBL3672992,8.74
+O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl,CHEMBL3672993,8.17
+O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Cl,CHEMBL3672994,8.31
+O=C(Nc1ccc(C(F)(F)F)cn1)Nc1ccc([C@H]2CNCCO2)cc1Cl,CHEMBL3672995,8.82
+O=C(Nc1ccc(C(F)(F)F)cn1)Nc1ccc([C@@H]2CNCCO2)cc1Cl,CHEMBL3672996,8.52
+O=C(Nc1ccc(Cl)cn1)Nc1ccc([C@@H]2CNCCO2)cc1Cl,CHEMBL3672997,8.92
+N#Cc1ccc(F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3672998,8.7
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+N#Cc1cc(F)cc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3673001,8.74
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+N#Cc1ccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Br)cn1,CHEMBL3673007,8.43
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+O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1Br,CHEMBL3673010,9.0
+O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Br,CHEMBL3673011,8.07
+O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Br,CHEMBL3673012,8.25
+N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1,CHEMBL3673013,8.74
+N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3673014,8.72
+CCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3673015,8.74
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+O=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@@H]2CNCCO2)cc1F,CHEMBL3673019,9.0
+O=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@H]2CNCCO2)cc1F,CHEMBL3673020,8.92
+N#Cc1ccnc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1,CHEMBL3673021,8.66
+N#Cc1ccnc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1,CHEMBL3673022,8.3
+N#Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)n1,CHEMBL3673023,8.01
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+CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)cn1,CHEMBL3673027,8.48
+O=C(Nc1ccc([C@@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1,CHEMBL3673028,8.64
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1ccnc(C(F)(F)F)c1,CHEMBL3673029,7.98
+CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)ccn1,CHEMBL3673030,8.47
+CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cn1,CHEMBL3673031,8.62
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1,CHEMBL3673032,9.22
+CCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)ccn1,CHEMBL3673033,8.28
+CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)cn1,CHEMBL3673034,8.32
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+CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)ccn1,CHEMBL3673036,8.48
+CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cn1,CHEMBL3673037,8.48
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+N#Cc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)n1,CHEMBL3673039,7.08
+N#Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)n1,CHEMBL3673040,7.56
+N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1,CHEMBL3673041,8.2
+N#Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)nc1,CHEMBL3673042,7.92
+N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cn1,CHEMBL3673043,7.77
+N#Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)cn1,CHEMBL3673044,7.59
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3Cl)cn2)cc1,CHEMBL3673045,8.28
+O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cn(-c2ccc(OC(F)F)cc2)nn1,CHEMBL3673046,8.72
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(Cl)c3)cn2)cc1,CHEMBL3673047,8.49
+N#Cc1cc(Cl)cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)n1,CHEMBL3673048,8.2
+COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1,CHEMBL3673049,8.03
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)c(F)c1,CHEMBL3673050,8.27
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(Cl)c3)cn2)c(F)c1,CHEMBL3673051,8.59
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3F)cn2)c(F)c1,CHEMBL3673052,8.06
+N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3F)cn2)cc1,CHEMBL3673053,8.13
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C#N)n1,CHEMBL3673054,7.59
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1,CHEMBL3673055,7.32
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C(N)=O)n1,CHEMBL3673056,7.19
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1,CHEMBL3673057,7.54
+NC(=O)c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(Cl)n1,CHEMBL3673058,7.29
+CCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C(N)=O)n1,CHEMBL3673059,7.55
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C(N)=O)n1,CHEMBL3673060,7.38
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1,CHEMBL3673061,7.07
+COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1,CHEMBL3673062,7.07
+COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1,CHEMBL3673063,7.84
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1,CHEMBL3673064,6.85
+Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1,CHEMBL3673065,7.38
+COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1,CHEMBL3673066,7.63
+O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2cncc(C(F)(F)F)n2)c1,CHEMBL3673067,7.74
+O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1cnn(-c2cncc(C(F)(F)F)n2)c1,CHEMBL3673068,7.69
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cncc(C(F)(F)F)n2)c1,CHEMBL3677859,8.15
+O=C(Nc1ccc([C@H]2CNCCO2)c(Cl)c1)c1cnn(-c2cncc(C(F)(F)F)n2)c1,CHEMBL3677860,8.06
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cc(C(F)(F)F)ncn2)c1,CHEMBL3677861,8.14
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1,CHEMBL3677862,8.12
+N#Cc1cnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)cn1,CHEMBL3677863,7.6
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccnc(C(F)(F)F)n2)c1,CHEMBL3677864,8.1
+N#Cc1cc(Cl)cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)n1,CHEMBL3677865,8.02
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1,CHEMBL3677866,8.32
+Cc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)ccc1C#N,CHEMBL3677867,7.98
+Cc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)ccc1C#N,CHEMBL3677868,8.12
+O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(C(F)(F)F)cn1,CHEMBL3677869,8.17
+CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cn1,CHEMBL3677870,8.38
+Cc1cc(C)nc(Nc2ccc(C3CCNC3)cc2)n1,CHEMBL3701900,7.13
+FC(F)(F)C(Nc1ccc(C2CCNC2)cc1)c1ccc(Br)cn1,CHEMBL3701901,5.37
+FC(F)(F)C(Nc1ccc(CCC2CCNC2)cc1)c1ccc(Cl)cc1,CHEMBL3701902,7.8
+FC(F)(F)C(Nc1ccc(CCC2CCCNC2)cc1)c1ccc(Cl)cc1,CHEMBL3701903,6.91
+Clc1ccc(Nc2ccc(C3CNCCO3)cc2)nc1,CHEMBL3701904,8.96
+Clc1cnc(Nc2ccc(C3CNCCO3)cc2)nc1,CHEMBL3701905,7.88
+Brc1cnc(Nc2ccc(C3CNCCO3)cc2)nc1,CHEMBL3701906,8.48
+Clc1ccc(Nc2ccc(C3CNCCO3)cc2)cc1,CHEMBL3701907,9.3
+Clc1ccc(CNc2ccc(C3CNCCO3)cc2)cc1,CHEMBL3701908,7.74
+Brc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701909,8.82
+FC(F)(F)c1ccc(Nc2ccc(C3CNCCO3)cc2)nc1,CHEMBL3701910,8.82
+COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701911,8.26
+c1ccc(CCNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701912,7.58
+Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701913,7.91
+CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701914,8.55
+N#Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701915,7.56
+c1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3701916,8.77
+Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701917,8.27
+FC(F)(F)c1cnc(Nc2ccc(C3CNCCO3)cc2)nc1,CHEMBL3701918,8.25
+COc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701919,7.34
+CCCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701920,8.7
+Cc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701921,7.43
+N#Cc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701922,7.29
+FC(F)(F)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701923,7.92
+FC(F)(F)Oc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701924,7.91
+Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)sc2c1,CHEMBL3701925,8.7
+Brc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701926,7.36
+COc1cccc(CNc2ccc([C@H]3CNCCO3)cc2)n1,CHEMBL3701927,6.56
+CCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701928,8.38
+Clc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1Cl,CHEMBL3701929,8.29
+Fc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701930,7.34
+Clc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cn1,CHEMBL3701931,7.45
+FC(F)(F)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cn1,CHEMBL3701932,7.33
+Clc1ccc(CCNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701933,8.38
+Fc1cc(Cl)ccc1CNc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701934,8.02
+CCc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701935,7.54
+Fc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701936,6.89
+Clc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701937,8.96
+COc1ccnc(Nc2ccc([C@H]3CNCCO3)cc2)c1,CHEMBL3701938,8.4
+Fc1cc(Nc2ccc([C@H]3CNCCO3)cc2)cnc1Cl,CHEMBL3701939,8.59
+FC(F)(F)c1cccnc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701940,6.57
+FC(F)(F)c1ccnc(Nc2ccc([C@H]3CNCCO3)cc2)c1,CHEMBL3701941,8.64
+Fc1cncc(Nc2ccc([C@H]3CNCCO3)cc2)c1,CHEMBL3701942,7.57
+c1ccc2cc(Nc3ccc([C@H]4CNCCO4)cc3)ccc2c1,CHEMBL3701943,9.15
+Brc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1,CHEMBL3701944,8.21
+c1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc2c1,CHEMBL3701945,9.1
+Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc2c1,CHEMBL3701946,8.92
+Cc1ccc2cccc(Nc3ccc([C@H]4CNCCO4)cc3)c2n1,CHEMBL3701947,6.91
+FC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccc(C(F)(F)F)c2n1,CHEMBL3701948,7.58
+Clc1ccc2ncnc(Nc3ccc([C@H]4CNCCO4)cc3)c2c1,CHEMBL3701949,8.3
+Clc1nc2ccccc2cc1CNc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701950,7.44
+Clc1cccc2ccc(Nc3ccc([C@H]4CNCCO4)cc3)nc12,CHEMBL3701951,9.3
+Brc1cccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc12,CHEMBL3701952,8.92
+Clc1cc(Nc2ccc([C@H]3CNCCO3)cc2)nc2ccccc12,CHEMBL3701953,9.1
+Fc1ncccc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701954,6.13
+Cc1cc(Br)cnc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701955,7.43
+Fc1cc(Br)cnc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701956,8.64
+Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)c(Cl)c1,CHEMBL3701957,7.15
+Fc1cc(Cl)ccc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701958,8.31
+CN(c1ccc(Cl)cc1)c1ccc([C@H]2CNCCO2)cc1,CHEMBL3701959,7.65
+Brc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)c(Br)c1,CHEMBL3701960,7.23
+Cc1cc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1Br,CHEMBL3701961,9.3
+Clc1cc(Nc2ccc([C@H]3CNCCO3)cc2)c(Cl)cn1,CHEMBL3701962,6.43
+Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cc1Br,CHEMBL3701963,8.57
+c1cc([C@H]2CNCCO2)ccc1Nc1ccc2c(c1)OCO2,CHEMBL3701964,7.88
+Brc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccnc12,CHEMBL3701965,6.66
+Clc1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1,CHEMBL3701966,8.13
+CCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3701967,8.03
+Clc1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3701968,8.85
+CC(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1,CHEMBL3701969,6.28
+CCOc1cc(Nc2ccc([C@H]3CNCCO3)cc2)cnc1Cl,CHEMBL3701970,7.93
+CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1C,CHEMBL3701971,7.77
+Cc1nc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1C(C)C,CHEMBL3701972,8.02
+c1cc([C@H]2CNCCO2)ccc1Nc1ncc2c(n1)CCCC2,CHEMBL3701973,8.23
+O=[N+]([O-])c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701974,7.85
+Cc1cc(C2CNCCO2)ccc1Nc1ccc(Br)cn1,CHEMBL3701975,8.62
+Fc1cc(Cl)cnc1Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3701976,8.28
+CS(=O)(=O)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3701977,6.96
+Cc1cc(C2CNCCO2)ccc1Nc1ccc(Cl)cc1,CHEMBL3701978,8.33
+Cc1cc(C2CNCCO2)ccc1Nc1ccc(Cl)cn1,CHEMBL3701979,8.59
+Cc1cc(C2CNCCO2)ccc1Nc1ncc(Cl)cn1,CHEMBL3701980,7.79
+FC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1Cl,CHEMBL3640008,9.1
+Cc1cc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1Cl,CHEMBL3701981,9.22
+Cc1cc(Nc2ccc(C3CNCCO3)cc2C)ncc1Cl,CHEMBL3701982,8.82
+Cc1cc(Nc2ccc(C3CNCCO3)cc2C)ncc1Br,CHEMBL3701983,8.85
+c1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3701984,8.62
+Cc1cc(C2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3701985,8.15
+CCc1cnc(Nc2ccc(C3CNCCO3)cc2C)nc1,CHEMBL3701986,8.1
+Cc1cc(C2CNCCO2)ccc1Nc1ncc(Br)cn1,CHEMBL3701987,7.86
+Clc1ccc(Nc2ccc(C3CNCCO3)cn2)nc1,CHEMBL3701988,7.71
+Brc1ccc(Nc2ccc(C3CNCCO3)cn2)nc1,CHEMBL3701989,8.09
+c1nc(Nc2ccc(C3CNCCO3)cn2)ncc1C1CC1,CHEMBL3701990,7.64
+CCCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3701991,8.3
+Brc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3701992,8.46
+FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3701993,8.24
+Fc1cc(C2CNCCO2)ccc1Nc1ncc(Cl)cn1,CHEMBL3701994,8.21
+CCc1cnc(Nc2ccc(C3CNCCO3)cc2F)nc1,CHEMBL3701995,8.54
+Fc1cc(C2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3701996,8.55
+Fc1cc(C2CNCCO2)ccc1Nc1ccc(Cl)cn1,CHEMBL3701997,9.1
+CCOc1cnc(Nc2ccc(C3CNCCO3)cc2F)nc1,CHEMBL3701998,8.28
+CCCc1cnc(Nc2ccc(C3CNCCO3)cc2F)nc1,CHEMBL3701999,8.49
+Fc1cc(C2CNCCO2)ccc1Nc1ncc(Br)cn1,CHEMBL3702000,8.33
+Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3702001,8.36
+Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3702002,8.39
+CCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3702003,7.94
+CCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2C)nc1,CHEMBL3702004,8.07
+CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2C)nc1,CHEMBL3702005,8.3
+Brc1ccc(Nc2ccc([C@@H]3CNCCO3)cn2)nc1,CHEMBL3702006,7.91
+Brc1ccc(Nc2ccc([C@H]3CNCCO3)cn2)nc1,CHEMBL3702007,8.11
+Cc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3702008,8.59
+Cc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3702009,8.36
+CCc1cnc(Nc2ccc([C@@H]3CCCNC3)cc2)nc1,CHEMBL3702010,8.42
+c1ccc(-c2cc(Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)cc1,CHEMBL3702011,8.96
+CCOc1cnc(Nc2ccc([C@@H]3CCCNC3)cc2)nc1,CHEMBL3702012,7.67
+c1ccc(-c2nnc(Nc3ccc([C@H]4CNCCO4)cc3)o2)cc1,CHEMBL3702013,8.1
+CCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2F)nc1,CHEMBL3702014,8.41
+CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2F)nc1,CHEMBL3702015,8.47
+Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3702016,8.42
+Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3702017,8.6
+Cc1cc(C2CNCCO2)cnc1Nc1ccc(Br)cn1,CHEMBL3702018,8.24
+Fc1cc(C2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1,CHEMBL3702019,8.24
+CC(C)Oc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3702020,8.1
+CC(C)Oc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3702021,7.76
+c1cc([C@H]2CNCCO2)ccc1Nc1ncc(OCC2CC2)cn1,CHEMBL3702022,8.44
+c1cc([C@@H]2CNCCO2)ccc1Nc1ncc(OCC2CC2)cn1,CHEMBL3702023,8.35
+Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1,CHEMBL3702024,8.4
+Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1,CHEMBL3702025,8.52
+CCCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2F)nc1,CHEMBL3702026,8.31
+CCCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2F)nc1,CHEMBL3702027,8.37
+Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Cl)cn1,CHEMBL3641688,8.29
+Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Cl)cn1,CHEMBL3641689,8.55
+CCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2F)nc1,CHEMBL3639405,8.33
+CCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2F)nc1,CHEMBL3641690,8.28
+Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1,CHEMBL3641764,8.16
+Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1,CHEMBL3641765,8.24
+FC(F)(F)COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3641691,8.29
+FC(F)(F)COc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3641762,8.43
+COCCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3641692,7.19
+COCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3641693,7.18
+Cn1ccc(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641694,7.41
+COc1ccc(-c2cnc(Nc3ccc([C@H]4CNCCO4)cc3)nc2)cc1OC,CHEMBL3641695,8.57
+COc1ccc(-c2cnc(Nc3ccc([C@@H]4CNCCO4)cc3)nc2)cc1OC,CHEMBL3641696,8.57
+Cn1cc(Br)c(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641697,6.38
+Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1,CHEMBL3641698,8.38
+Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1,CHEMBL3641763,8.47
+c1cc(C2CNCCO2)ccc1Nc1ccn(CC2CC2)n1,CHEMBL3641699,8.34
+c1coc(-c2cnc(Nc3ccc([C@H]4CNCCO4)cc3)nc2)c1,CHEMBL3641700,9.05
+c1coc(-c2cnc(Nc3ccc([C@@H]4CNCCO4)cc3)nc2)c1,CHEMBL3641701,8.77
+Clc1cc(C2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3641702,8.96
+FC(F)Cn1ccc(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641703,7.87
+COCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2F)nc1,CHEMBL3641704,7.32
+COCCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2F)nc1,CHEMBL3641705,7.71
+FC(F)(F)c1ncc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1,CHEMBL3641706,8.15
+FC(F)(F)c1ncc(Nc2ccc([C@H]3CNCCO3)cc2)cn1,CHEMBL3641766,8.02
+c1cc(Nc2ccc(C3CNCCO3)cc2)[nH]n1,CHEMBL3641707,6.22
+Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cn1,CHEMBL3641708,8.03
+Cc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1,CHEMBL3641709,7.88
+CNC(=O)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1,CHEMBL3641710,5.99
+CNC(=O)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3641711,5.87
+Cc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nn1,CHEMBL3641712,8.21
+c1ccc(Cn2ccc(Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1,CHEMBL3641713,8.8
+c1ccc(Cn2ccc(Nc3ccc([C@@H]4CNCCO4)cc3)n2)cc1,CHEMBL3641714,8.7
+c1ccc(-n2ccc(Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1,CHEMBL3641715,8.59
+c1ccc(-n2ccc(Nc3ccc([C@@H]4CNCCO4)cc3)n2)cc1,CHEMBL3641716,9.22
+c1cc([C@H]2CNCCO2)ccc1Nc1ccc(C2COC2)cn1,CHEMBL3641717,7.96
+Cc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1,CHEMBL3641718,7.52
+Cc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1,CHEMBL3641767,6.95
+FC(F)(F)c1cnc(Nc2ccc(C3CNCCO3)cc2Cl)nc1,CHEMBL3641719,7.86
+Clc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3641720,8.8
+Clc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1,CHEMBL3641721,9.1
+FC(F)(F)COc1ccnc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641722,8.46
+FC(F)(F)c1ccnc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641723,8.36
+FC(F)Oc1cnc(Oc2cnc(Nc3ccc([C@@H]4CNCCO4)cc3)nc2)nc1,CHEMBL3641724,8.06
+FC(F)Oc1cnc(Oc2cnc(Nc3ccc([C@@H]4CNCCO4)cc3Cl)nc2)nc1,CHEMBL3641725,8.22
+c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3641726,6.82
+c1ccc2nc(Nc3ccc([C@@H]4CNCCO4)cc3)ncc2c1,CHEMBL3641727,8.55
+Cc1cc(C(F)(F)F)nc(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641728,8.37
+FC(F)Oc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1,CHEMBL3641729,8.33
+COc1cc(Cl)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641730,8.24
+N#Cc1ccnc(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641731,8.08
+Cc1cc(C)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641732,7.84
+COc1cc(OC)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641733,8.03
+FC(F)(F)COc1cnc(Nc2ccc(C3CNCCO3)cc2Cl)nc1,CHEMBL3641734,8.7
+FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)c(Cl)c1,CHEMBL3641735,7.26
+Clc1ncc(Cl)c(Nc2ccc([C@H]3CNCCO3)cc2)n1,CHEMBL3641736,6.86
+FC(F)(F)COc1ccnc(Nc2ccc(C3CNCCO3)cc2)n1,CHEMBL3641737,8.68
+Fc1cnc(Nc2ccc(C3CNCCO3)cc2)nc1OCC(F)(F)F,CHEMBL3641738,8.8
+c1cc(C2CC2)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641739,6.96
+Fc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1C1CC1,CHEMBL3641740,8.51
+FS(F)(F)(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cc1,CHEMBL3641741,9.0
+Fc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@@H]1CNCCO1,CHEMBL3641742,8.6
+Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@H]1CNCCO1,CHEMBL3641743,8.42
+Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@@H]1CNCCO1,CHEMBL3641744,8.68
+Fc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@H]1CNCCO1,CHEMBL3641745,8.77
+Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@@H]1CNCCO1,CHEMBL3641746,8.31
+Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@H]1CNCCO1,CHEMBL3641747,8.51
+FC(F)(F)c1cc(Nc2ccc([C@@H]3CNCCO3)cc2)ncn1,CHEMBL3641748,7.38
+Clc1cc(Nc2ccc([C@@H]3CNCCO3)cc2)ncn1,CHEMBL3641749,7.64
+FC(F)(F)c1nccc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641750,8.05
+FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1,CHEMBL3641751,8.1
+Clc1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1,CHEMBL3641752,8.49
+FC(F)(F)COc1cnc(Nc2ccc(C3CNCCO3)c(Cl)c2)nc1,CHEMBL3641753,8.66
+FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1,CHEMBL3641754,8.42
+Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1,CHEMBL3641755,8.59
+Clc1cncc(Nc2ccc([C@@H]3CNCCO3)cc2)n1,CHEMBL3641756,8.3
+Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1C1CNCCO1,CHEMBL3641757,8.37
+Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1C1CNCCO1,CHEMBL3641758,8.52
+Fc1cc(Nc2ncc(F)c(OCC(F)(F)F)n2)ccc1C1CNCCO1,CHEMBL3641759,8.49
+Fc1cc(Nc2ncc(Cl)cn2)ccc1[C@@H]1CNCCO1,CHEMBL3641760,8.33
+FC(F)(F)COc1ccnc(Nc2ccc(C3CNCCO3)c(Cl)c2)n1,CHEMBL3641761,8.38
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccccc2)n[nH]1,CHEMBL3663679,9.15
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1,CHEMBL3663680,9.52
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1,CHEMBL3663681,9.1
+COc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1,CHEMBL3663682,9.0
+Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663683,8.14
+Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663684,8.8
+COc1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)cc1,CHEMBL3663685,8.92
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccccc2F)n[nH]1,CHEMBL3663686,9.05
+COc1ccccc1-c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[nH]n1,CHEMBL3663687,8.85
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccccc2Cl)n[nH]1,CHEMBL3663688,9.3
+COc1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)cc1OC,CHEMBL3663689,8.59
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1,CHEMBL3663690,9.3
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(-c2ccccc2Cl)n[nH]1,CHEMBL3663691,9.1
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1,CHEMBL3663692,8.77
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1,CHEMBL3663693,9.22
+COc1cccc(-c2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[nH]n2)c1,CHEMBL3663694,8.89
+Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663695,8.8
+Cn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1,CHEMBL3663696,8.77
+Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1,CHEMBL3663697,8.1
+[C-]#[N+]c1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1,CHEMBL3663698,8.66
+[C-]#[N+]c1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n(C)n2)cc1,CHEMBL3663699,8.28
+Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1,CHEMBL3663700,8.64
+COc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n(C)n2)c1,CHEMBL3663701,8.19
+Cn1nc(-c2cccc(C#N)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663702,8.17
+CCn1nc(-c2cccc(C#N)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663703,8.29
+[C-]#[N+]c1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n(CC)n2)cc1,CHEMBL3663704,7.13
+Cc1c(-c2cccc(C#N)c2)n[nH]c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663705,8.68
+N#Cc1ccc(F)c(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1,CHEMBL3663706,8.37
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1,CHEMBL3663707,8.96
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccnn1-c1ccccc1,CHEMBL3663708,6.85
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1,CHEMBL3663709,8.89
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1,CHEMBL3663710,9.15
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1,CHEMBL3663711,8.55
+N#Cc1ccc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1,CHEMBL3663712,8.43
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1,CHEMBL3663713,8.66
+N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@@H]4CCCNC4)cc3)[nH]n2)c1,CHEMBL3663714,8.85
+N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CCCNC4)cc3)[nH]n2)c1,CHEMBL3663715,8.77
+N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C4CCNC4)cc3)[nH]n2)c1,CHEMBL3663716,8.68
+N#Cc1cc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)ccc1F,CHEMBL3663717,8.85
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2cccc(OC(F)F)c2)n[nH]1,CHEMBL3663718,9.3
+CCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1cccc(OC(F)F)c1,CHEMBL3663719,8.6
+CCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663720,9.0
+N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1F,CHEMBL3663721,8.8
+Cn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1,CHEMBL3663722,7.18
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(OC(F)F)cc2)n1,CHEMBL3663723,8.74
+O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(OC(F)F)cc2)n1,CHEMBL3663724,8.4
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ncc(C(F)(F)F)cn2)n1,CHEMBL3663725,7.7
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(Cl)n2)n1,CHEMBL3663726,8.07
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1,CHEMBL3663727,7.85
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1,CHEMBL3663728,8.57
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1,CHEMBL3663729,7.85
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(C(F)(F)F)n2)n1,CHEMBL3663730,8.08
+N#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1,CHEMBL3663731,7.96
+O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccnc(C(F)(F)F)n2)n1,CHEMBL3663732,8.19
diff --git a/chembl_200/CHEMBL4975.csv b/chembl_200/CHEMBL4975.csv
new file mode 100644
index 0000000000000000000000000000000000000000..db19c56f73334e4e8783e953715f9f62c7731b15
--- /dev/null
+++ b/chembl_200/CHEMBL4975.csv
@@ -0,0 +1,496 @@
+Nc1nc2ccccc2c2nc[nH]c12,CHEMBL19191,5.77
+c1ccc2c(c1)nc(NC1CCCC1)c1[nH]cnc12,CHEMBL19305,8.0
+c1ccc(Nc2nc3ccccc3c3nc[nH]c23)cc1,CHEMBL19533,6.31
+c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,CHEMBL442333,7.64
+c1ccc2c(c1)nc(NC1CCCC1)c1[nH]c(C3CCCC3)nc12,CHEMBL19095,8.04
+Nc1nc2ccccc2c2nc(C3CCCC3)[nH]c12,CHEMBL19970,6.54
+c1ccc(Nc2nc3ccccc3c3nc(-c4ccccc4)[nH]c23)cc1,CHEMBL441954,7.3
+Nc1nc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL276138,7.77
+C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12,CHEMBL1907924,6.34
+C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12,CHEMBL1907708,7.13
+CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O,CHEMBL273671,10.66
+CC(=O)Nc1ccc(-c2cc(=O)c3ccc(C)nc3[nH]2)cc1,CHEMBL104998,8.89
+CCCc1cc(=O)c2ccc(C)nc2[nH]1,CHEMBL103150,7.265
+O=c1cc(-c2ccccc2)[nH]c2nc(Br)ccc12,CHEMBL97687,9.033
+Cc1ccc2c(NC3CCCCC3)cc(-c3ccccc3)nc2n1,CHEMBL97624,7.502999999999999
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL432950,7.262
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL86275,6.33
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1Nc1ccccc1,CHEMBL82616,6.46
+CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL85195,5.39
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL312811,6.95
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC(C)(C)C,CHEMBL81885,5.32
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL312859,6.86
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL314765,7.013999999999999
+CCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL82389,7.0
+CCOCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL86274,6.82
+Cc1ccc2c(Cl)cc(-c3ccccc3)nc2n1,CHEMBL97778,6.0
+Cc1ccc2c(=O)cc(-c3ccccc3F)[nH]c2n1,CHEMBL95384,7.96
+COc1cc(-c2ccccc2)nc2c1ccc(=O)n2C,CHEMBL98227,5.89
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL420705,7.983
+Cc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL97549,8.28
+Cc1ccc2c(N3CCNCC3)cc(-c3ccccc3)nc2n1,CHEMBL96617,5.06
+Cn1c(=O)ccc2c(=O)cc(-c3ccccc3)[nH]c21,CHEMBL328214,5.31
+Cc1ccc2c(N)cc(-c3ccccc3)nc2n1,CHEMBL97337,7.77
+Cc1ccc2c(N(C)C)cc(-c3ccccc3)nc2n1,CHEMBL97665,6.26
+CCOc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL97895,8.28
+Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2n1,CHEMBL316630,8.0
+COc1cc(-c2ccccc2)nc2nc(C)ccc12,CHEMBL319580,5.22
+Cc1ccc2ccc(-c3ccccc3)nc2n1,CHEMBL97344,5.16
+O=c1cc(-c2ccccc2)[nH]c2nc(F)ccc12,CHEMBL97757,8.39
+COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL329294,8.8
+CCn1c(-c2ccccc2)cc(=O)c2ccc(C)nc21,CHEMBL415697,6.35
+Nc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL102430,8.28
+Cc1ccc2c(=S)cc(-c3ccccc3)[nH]c2n1,CHEMBL329293,7.1
+O=c1cc(-c2ccccc2)[nH]c2nc(Oc3ccccc3)ccc12,CHEMBL97896,7.59
+Cc1ccc2c(Oc3ccccc3)cc(-c3ccccc3)nc2n1,CHEMBL96576,6.09
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL45891,8.745
+Cc1ccc2c(NN)cc(-c3ccccc3)nc2n1,CHEMBL94538,7.0
+CCOC(=O)N1CCN(c2cc(-c3ccccc3)nc3nc(C)ccc23)CC1,CHEMBL97663,5.92
+Cc1ccc2c(=O)cc(-c3ccc(F)cc3)[nH]c2n1,CHEMBL313864,8.28
+O=c1cc(-c2ccccc2)[nH]c2ncccc12,CHEMBL97037,7.8
+CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CHEMBL464859,7.85
+CCCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL2113575,7.68
+CCCn1c(=O)c2nn(C3CCCCC3O)nc2n(CCC)c1=O,CHEMBL100176,5.85
+CCCn1c(=O)c2nn(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O,CHEMBL100832,5.82
+Cn1c(=O)c2c(nnn2C2CC3CCC2C3)n(C)c1=O,CHEMBL101391,4.74
+Cn1c(=O)c2c(nnn2-c2ccc(Cl)cc2N)n(C)c1=O,CHEMBL328812,4.85
+CCCn1c(=O)c2nn(C3CCCCC3)nc2n(CCC)c1=O,CHEMBL323074,5.8
+Cn1c(=O)c2c(ncn2C)n(C)c1=O,CHEMBL113,4.54
+Cn1c(=O)c2c(nnn2C2CCCCC2)n(C)c1=O,CHEMBL319555,4.64
+Cn1c(=O)c2nn(C3CC4CCC3C4)nc2n(C)c1=O,CHEMBL319534,4.51
+CCCn1c(=O)c2c(nnn2-c2ccc(Cl)cc2N)n(CCC)c1=O,CHEMBL316687,4.36
+CCCn1c(=O)c2c(nnn2C2CCCCC2)n(CCC)c1=O,CHEMBL101554,5.96
+Cn1c(=O)c2nn(-c3ccc(Cl)cc3N)nc2n(C)c1=O,CHEMBL101915,4.62
+CCCn1c(=O)c2nn(C3CCCC3)nc2n(CCC)c1=O,CHEMBL100347,5.89
+CCCn1c(=O)c2c(nnn2C2CCCCC2O)n(CCC)c1=O,CHEMBL100440,5.74
+Cn1c(=O)c2c(nnn2C2CCCC2)n(C)c1=O,CHEMBL100909,4.96
+Cn1c(=O)c2nn(C3CCCCC3)nc2n(C)c1=O,CHEMBL100389,4.44
+CCCn1c(=O)c2c(nnn2C2CCCC2)n(CCC)c1=O,CHEMBL100346,6.47
+Nc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n12,CHEMBL333872,6.0
+CN(C)c1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL333943,6.24
+O=c1[nH]c2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL120346,7.04
+Nc1nc2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL121593,6.94
+CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL121793,7.59
+Nc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL118164,7.32
+COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL16416,6.51
+CCOc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL120602,5.0
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12,CHEMBL331540,6.81
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL334224,6.35
+Nc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL118679,8.06
+Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL421420,7.09
+CCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL120662,6.27
+COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL16737,6.03
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL332969,7.51
+Nc1cccc2c1nc(N)c1nn(-c3ccc(O)cc3)c(=O)n12,CHEMBL331946,7.21
+Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12,CHEMBL17127,6.45
+Cc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2n1,CHEMBL321769,7.82
+CCOC(=O)CCN1CCN(c2cc(-c3ccccc3)nc3nc(C)ccc23)CC1,CHEMBL100121,5.92
+O=c1cc(-c2ccccc2)[nH]c2nc(NC3CCCCC3)ccc12,CHEMBL418797,7.15
+Cc1ccc2c(=O)cc[nH]c2n1,CHEMBL103553,5.15
+NC(=O)Cc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,CHEMBL317411,6.47
+Cc1ccc2c(=O)cc(-c3ccc(N)cc3)[nH]c2n1,CHEMBL104999,8.17
+CCOc1cc(-c2ccccc2)nc2c1ccc(=O)n2CC,CHEMBL323288,5.33
+CCOc1ccc2c(=O)cc(-c3ccccc3)n(CC)c2n1,CHEMBL102753,7.32
+CCOc1ccc2c(OCC)cc(-c3ccccc3)nc2n1,CHEMBL102974,6.54
+O=c1cc(-c2ccccc2)[nH]c2nc(N3CCOCC3)ccc12,CHEMBL102491,6.8
+Cc1ccc2c(=O)cc(Cc3ccccc3)[nH]c2n1,CHEMBL103796,5.72
+O=c1cc(-c2ccccc2)[nH]c2nc(N3CCCCC3)ccc12,CHEMBL102178,8.14
+CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12,CHEMBL103559,7.3
+CSc1cc(-c2ccccc2)nc2nc(C)ccc12,CHEMBL105000,6.42
+Cc1ccc2c(=O)cc(-c3cccc(N)c3)[nH]c2n1,CHEMBL323303,7.64
+CCCc1cc(=O)c2ccc(N)nc2[nH]1,CHEMBL103588,6.68
+CN1C=NC2C(=NC3CCCC3)NC=NC21,CHEMBL144032,6.27
+Cc1nn(C)c2c(=O)nc(-c3ccc(Cl)cc3N)[nH]c12,CHEMBL301814,6.75
+Nc1nc2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12,CHEMBL145751,7.89
+CCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=O,CHEMBL52333,9.72
+CCCn1c(=O)c2[nH]c(C3CCC(=O)C3)nc2n(CCC)c1=O,CHEMBL84545,7.82
+C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21,CHEMBL79415,8.59
+FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL268071,8.14
+CCCSc1nc(SC(CC)C(N)=O)nc2c1ncn2-c1ccccc1,CHEMBL144743,7.53
+O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O,CHEMBL292917,8.18
+O=C(/C=C/C1=CC=CN2N=C(c3ccccc3)CC12)N1CCCC[C@H]1CCO,CHEMBL144740,9.31
+Cc1cnc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL145058,8.1
+CCOC(=O)c1cnc2c(cnn2C)c1NCCc1ccccc1,CHEMBL144928,5.37
+Nc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1,CHEMBL142587,6.22
+COc1ccc(-c2nc(N)c3c(C)c(C)n(C(C)c4ccccc4)c3n2)cc1,CHEMBL144398,7.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCc4ccc(N)c(I)c4)cc3)nc2n(CCC)c1=O,CHEMBL133982,10.0
+Cn1cnc2c(NC3CC4CCC3C4)ncnc21,CHEMBL337517,8.0
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(NC(=O)C(C)C)cc2)c1=O,CHEMBL82222,7.8
+Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL16510,6.51
+O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL16715,7.1
+Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1,CHEMBL416537,7.7
+O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12,CHEMBL16195,7.75
+Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12,CHEMBL416354,8.04
+Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,CHEMBL273578,7.71
+CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16305,8.37
+Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1,CHEMBL276321,8.92
+O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12,CHEMBL16598,7.26
+COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1,CHEMBL16215,5.59
+Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1,CHEMBL279410,6.81
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL16488,7.05
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL280278,9.38
+Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12,CHEMBL16820,6.37
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16242,6.29
+CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL277357,6.39
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL274267,8.84
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12,CHEMBL279870,8.31
+O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL280080,8.2
+O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL16254,7.29
+O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12,CHEMBL16774,8.96
+O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12,CHEMBL276528,5.99
+O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16750,6.7
+Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL278197,7.96
+C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21,CHEMBL16833,5.66
+O=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12,CHEMBL16529,8.32
+Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL274274,6.14
+Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12,CHEMBL16643,7.55
+CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL274273,8.03
+Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1,CHEMBL275421,8.38
+Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1,CHEMBL280300,6.36
+Cn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O,CHEMBL106265,9.3
+O=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12,CHEMBL16010,7.27
+Clc1ccccc1Cn1nnc2c(NCC3CCCCC3)ncnc21,CHEMBL162247,5.37
+C[C@H](Cc1ccccc1)Nc1ncnc2c1nnn2Cc1ccccc1Cl,CHEMBL2112325,7.41
+Nc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2)cc1,CHEMBL157641,5.17
+Nc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1,CHEMBL161227,5.14
+c1ccc(Cn2nnc3c(NC4CCCCC4)ncnc32)cc1,CHEMBL158572,6.92
+c1ccc(Cn2nnc3c(NCC4CCCCC4)ncnc32)cc1,CHEMBL161169,5.55
+CC(Cc1ccccc1)Nc1ncnc2c1nnn2CCc1ccccc1,CHEMBL349026,5.6
+Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc21,CHEMBL158859,7.68
+CC(Cc1ccccc1)Nc1ncnc2c1nnn2Cc1ccccc1Cl,CHEMBL159178,7.14
+CC(Nc1ncnc2c1nnn2Cc1ccccc1)c1ccccc1,CHEMBL161566,6.36
+Cc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2)cc1,CHEMBL345839,6.3
+Clc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1,CHEMBL161971,6.33
+Clc1cccc(Nc2ncnc3c2nnn3CCc2ccccc2)c1,CHEMBL158631,5.48
+Nc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1,CHEMBL158483,5.81
+C[C@H](Cc1ccccc1)Nc1ncnc2c1nnn2Cc1ccccc1,CHEMBL2110165,6.56
+O=[N+]([O-])c1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1,CHEMBL161628,6.35
+O=[N+]([O-])c1cccc(Nc2ncnc3c2nnn3CCc2ccccc2)c1,CHEMBL161790,5.65
+c1ccc(CCn2nnc3c(NC4CCCCC4)ncnc32)cc1,CHEMBL161326,6.67
+O=[N+]([O-])c1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1,CHEMBL351691,5.48
+CC(Nc1ncnc2c1nnn2CCc1ccccc1)c1ccccc1,CHEMBL161294,5.66
+CC1CCCC(Nc2ncnc3c2nnn3Cc2ccccc2Cl)C1,CHEMBL161051,6.99
+Cc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1,CHEMBL158423,5.23
+CC(Cc1ccccc1)Nc1ncnc2c1nnn2Cc1ccccc1,CHEMBL158992,6.24
+O=[N+]([O-])c1ccc(CNc2ncnc3c2nnn3CCc2ccccc2)cc1,CHEMBL161258,6.61
+Clc1ccccc1Cn1nnc2c(NC3CCCCC3)ncnc21,CHEMBL161711,7.37
+c1ccc(CCn2nnc3c(NC4CCCC4)ncnc32)cc1,CHEMBL347834,6.75
+Cc1cccc(Nc2ncnc3c2nnn3CCc2ccccc2)c1,CHEMBL159195,5.36
+Clc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1,CHEMBL162531,5.74
+Cc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1,CHEMBL161121,5.96
+c1ccc(Cn2nnc3c(NC4CCCC4)ncnc32)cc1,CHEMBL161574,6.9
+CC1CCCC(Nc2ncnc3c2nnn3Cc2ccccc2)C1,CHEMBL162470,6.11
+Nc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1,CHEMBL161378,5.02
+Cc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1,CHEMBL157864,5.78
+Cc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)cc1,CHEMBL158598,6.92
+CC(Nc1ncnc2c1nnn2Cc1ccccc1Cl)c1ccccc1,CHEMBL161425,6.33
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCF)c1=O,CHEMBL148589,9.74
+O=c1[nH]c2nc(C3CCCC3)[nH]c2c(=O)n1CCCF,CHEMBL152058,9.67
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O,CHEMBL284578,9.51
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CC(C)F)c1=O,CHEMBL152026,10.03
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(/C=C/CI)c1=O,CHEMBL152488,9.63
+CCCn1c(=O)[nH]c2nc(C3CCCC3)n(C)c2c1=O,CHEMBL356239,6.83
+CCCn1c(=O)n(COCC)c(=O)c2[nH]c(C3CCCC3)nc21,CHEMBL152294,9.54
+CCCn1c(=O)n(C)c(=O)c2[nH]c(C3CCCC3)nc21,CHEMBL34004,9.28
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(COCC)c1=O,CHEMBL357346,9.31
+CCCn1c(=O)n(CC(C)F)c(=O)c2[nH]c(C3CCCC3)nc21,CHEMBL346676,8.91
+Cc1n[nH]c2nc3ccccc3n2c1=O,CHEMBL7269,5.41
+O=c1c(-c2ccc(O)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL109691,6.46
+O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12,CHEMBL324100,6.5
+O=c1c(-c2ccsc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL109494,6.35
+O=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12,CHEMBL7334,6.33
+Cn1c2ccccc2n2c(=O)c(-c3ccc(O)cc3)nnc12,CHEMBL110979,6.69
+O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL326752,6.64
+O=c1c(-c2cccs2)n[nH]c2nc3ccccc3n12,CHEMBL269112,6.53
+O=c1c(-c2ccco2)n[nH]c2nc3ccccc3n12,CHEMBL7608,6.58
+O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12,CHEMBL112756,7.672999999999999
+O=c1c(-c2ccsc2)n[nH]c2nc3ccccc3n12,CHEMBL7953,6.92
+O=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12,CHEMBL7327,6.6
+Cn1c2ccccc2n2c(=O)c(-c3ccccc3)nnc12,CHEMBL7909,7.05
+Cn1c2ccccc2n2c(=O)c(-c3ccc(O)c(O)c3)nnc12,CHEMBL109687,6.34
+O=c1c(-c2ccccc2)n[nH]c2nc3ccccc3n12,CHEMBL7113,6.872999999999999
+Cn1c2ccccc2n2c(=O)c(-c3cccs3)nnc12,CHEMBL7142,6.63
+Cn1c2ccccc2n2c(=O)c(-c3ccsc3)nnc12,CHEMBL113476,7.11
+COc1ccc(-c2n[nH]c3nc4ccccc4n3c2=O)cc1OC,CHEMBL273657,5.75
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL307199,6.05
+COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1,CHEMBL7493,5.69
+O=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12,CHEMBL113518,6.0
+Cn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12,CHEMBL7098,6.09
+CCOC(=O)c1cnc2c(cnn2CC(Cl)COc2ccccc2)c1NC1CC1,CHEMBL542748,5.98
+CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)COc1ccccc1,CHEMBL144799,5.91
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CCCCC1,CHEMBL144754,5.83
+CCOCCNc1c(C(=O)OCC)cnc2c1cnn2CC(Cl)COc1ccccc1,CHEMBL544856,5.57
+CCOC(=O)c1cnc2c(cnn2CC(Cl)COc2ccccc2)c1NCCc1ccccc1,CHEMBL145316,6.34
+CCOC(=O)c1cnc2c(cnn2CC(Cl)COc2ccccc2)c1NC1CCCCC1,CHEMBL540094,5.43
+Cc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1,CHEMBL387592,6.08
+COc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL105913,6.62
+Cc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL106906,7.14
+O=c1[nH]c2ccccc2c2cn(-c3cccc(F)c3)nc12,CHEMBL322228,6.23
+O=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12,CHEMBL106740,6.33
+Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc12,CHEMBL419002,6.83
+O=c1[nH]c2ccc(Cl)cc2c2cn(-c3ccccc3)nc12,CHEMBL104478,6.55
+c1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL107116,6.88
+O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL108178,5.82
+Cc1cccc(-n2cc3c(n2)c(N)nc2ccccc23)c1,CHEMBL107446,6.89
+O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL107571,6.73
+Nc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12,CHEMBL321441,6.96
+Fc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL104177,7.26
+c1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1,CHEMBL106986,7.22
+CC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320741,7.12
+CCCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21,CHEMBL320093,6.02
+Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc12,CHEMBL107637,6.28
+Cc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1,CHEMBL107414,7.39
+Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc12,CHEMBL324419,5.49
+Nc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12,CHEMBL322263,7.06
+Cc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1,CHEMBL442005,7.65
+O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320283,6.97
+Cc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242202,5.41
+Clc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1,CHEMBL104425,7.57
+Nc1nc2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL320805,7.16
+Clc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL318323,6.32
+Cc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1,CHEMBL106346,6.67
+Fc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1,CHEMBL317270,8.03
+O=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12,CHEMBL241987,5.68
+c1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1,CHEMBL104115,8.07
+COc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1,CHEMBL242203,5.97
+Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12,CHEMBL104178,5.64
+Cn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21,CHEMBL106040,5.91
+c1ccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)cc1,CHEMBL106520,8.49
+Cc1cn2c(NC3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL148074,7.39
+CC(=O)CNc1nc(-c2ccccc2)nc2nc(C)cn12,CHEMBL146234,7.92
+Cc1cn2c(NCc3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL148088,5.41
+CCc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL358076,8.48
+O=C(Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12)C1CCCC1,CHEMBL149732,7.77
+CC(=O)Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12,CHEMBL147582,7.64
+Cc1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL355898,8.36
+Cc1cn2c(N)nc(-c3ccccc3)nc2n1,CHEMBL358341,6.48
+CC(C)c1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1,CHEMBL148464,8.24
+Cc1cn2c(NC34CC5CC(CC(C5)C3)C4)nc(-c3ccccc3)nc2n1,CHEMBL145822,6.29
+Cc1cn2c(NCC3CCCCC3)nc(-c3ccccc3)nc2n1,CHEMBL147913,6.64
+CC(=O)Nc1nc(-c2ccccc2)nc2nc(C)cn12,CHEMBL421782,6.07
+Cc1cn2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1,CHEMBL146479,7.57
+CC(=O)CNc1nc(-c2ccccc2)nc2nc(C(C)C)cn12,CHEMBL144482,5.63
+Cc1cn2c(NC(=O)C3CCCCC3)nc(-c3ccccc3)nc2n1,CHEMBL343256,6.94
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O,CHEMBL480143,4.31
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL119709,7.7
+C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL2113388,8.33
+C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O,CHEMBL603977,7.3
+OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL66393,7.685
+C[C@]1(O)C(n2cnc3c(N)nc(Cl)nc32)O[C@H](CO)[C@H]1O,CHEMBL606495,6.365
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21,CHEMBL73809,6.04
+CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL605034,6.6
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL285819,7.645
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(N)cc2)c1=O,CHEMBL310557,9.64
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON4C(=O)CCC4=O)cc3)nc2n(CCC)c1=O,CHEMBL8969,7.64
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(N=C=S)cc4)cc3)nc2n(CCC)c1=O,CHEMBL275635,8.89
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCN=C=S,CHEMBL603400,8.38
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc3)nc2n(CCC)c1=O,CHEMBL9335,8.21
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)c4ccc(CBr)cc4)cc3)nc2n(CCC)c1=O,CHEMBL9725,8.0
+CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCC=O)cc3)nc2n(CCC)c1=O,CHEMBL266161,8.5
+CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21,CHEMBL275084,5.15
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21,CHEMBL2113609,7.52
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc21,CHEMBL2113641,6.34
+C[C@@]1(O)[C@@H](CO)OC(n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O,CHEMBL611115,6.46
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O,CHEMBL481858,5.27
+C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O,CHEMBL2113642,5.37
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@]1(C)O,CHEMBL2113643,5.25
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL2113608,6.49
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@]1(C)O,CHEMBL2113607,5.34
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@]1(C)O,CHEMBL2113640,5.88
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL431733,6.05
+CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL194031,6.46
+Cc1ccc2c([N-][N+]#N)c(Cc3ccccc3)cnc2n1,CHEMBL194401,5.48
+Cc1ccc2c(=S)c(Cc3ccccc3)c[nH]c2n1,CHEMBL427178,5.2
+Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1,CHEMBL195356,6.66
+Cc1ccc2c(=O)c(Cc3ccccc3Cl)c[nH]c2n1,CHEMBL195357,5.06
+Cc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL194331,6.55
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL195522,5.76
+Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)c[nH]c2n1,CHEMBL194704,5.22
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c2n1,CHEMBL196665,5.75
+Cc1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1,CHEMBL194956,5.65
+Cc1ccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c2n1,CHEMBL371131,6.17
+Cc1ccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c2n1,CHEMBL196138,5.87
+Cc1ccc2c(=O)c(C(=O)NC(C)c3ccccc3)c[nH]c2n1,CHEMBL383134,6.38
+Cc1ccc2c(=O)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c[nH]c2n1,CHEMBL194696,5.79
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(N)cc3)c[nH]c2n1,CHEMBL193509,5.54
+Cc1ccc2c(=O)c(C(=O)NCc3ccc(NC(=O)c4ccccc4)cc3)c[nH]c2n1,CHEMBL263819,5.12
+Nc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1,CHEMBL196306,5.35
+Nc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL196375,6.01
+O=C(NCc1ccccc1)c1c[nH]c2nc(Cl)ccc2c1=O,CHEMBL194539,6.23
+O=C(NCc1ccccc1)c1c[nH]c2nc(Br)ccc2c1=O,CHEMBL370883,5.27
+O=C(NCc1ccccc1)c1c[nH]c2ncccc2c1=O,CHEMBL193766,5.56
+O=C(NCc1ccccc1)c1c[nH]c2nc(NCc3ccccc3)ccc2c1=O,CHEMBL193453,6.17
+O=C(NCc1ccccc1)c1c[nH]c2nc(NCCc3ccccc3)ccc2c1=O,CHEMBL194948,6.01
+CN(C)c1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2n1,CHEMBL194452,6.91
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3)nc12,CHEMBL198574,5.62
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1,CHEMBL98678,5.97
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccco3)nc12,CHEMBL316824,5.44
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccoc3)nc12,CHEMBL327853,5.71
+O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccsc3)nc12,CHEMBL97286,6.0
+O=c1[nH]c2ccccc2n2nc(-c3ccccc3)nc12,CHEMBL197333,6.57
+O=c1[nH]c2ccccc2n2nc(-c3ccco3)nc12,CHEMBL330399,5.95
+O=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12,CHEMBL328437,5.53
+Cc1ccc2[nH]c(=O)c3nc(-c4ccccc4)nn3c2c1,CHEMBL197325,6.28
+COc1ccc(-c2nc3c(=O)[nH]c4ccc(C)cc4n3n2)cc1,CHEMBL197376,5.84
+Cn1c(=O)c2nc(-c3ccccc3)nn2c2ccccc21,CHEMBL200687,5.97
+Cc1ccc2c(c1)n1nc(-c3ccccc3)nc1c(=O)n2C,CHEMBL371697,6.29
+Nc1nc2ccc(Cl)cc2n2nc(-c3ccccc3)nc12,CHEMBL200835,7.3
+COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1,CHEMBL200479,6.82
+CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1,CHEMBL8966,8.3
+CCOC(=O)c1nc2c(=O)[nH]c3ccc(NC(C)=O)cc3n2n1,CHEMBL8907,4.85
+O=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL325715,5.49
+O=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,CHEMBL334286,6.24
+Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL380162,7.1
+COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL212458,6.76
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL211449,7.52
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1,CHEMBL209061,7.11
+Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL380031,8.8
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1,CHEMBL211862,6.59
+O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL212633,8.41
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1,CHEMBL209927,7.99
+COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL445067,8.14
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1,CHEMBL209122,6.41
+Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12,CHEMBL211183,7.38
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL209943,6.0
+COc1ccc(-n2nc3c(NC(C)=O)nc4c(N)cccc4n3c2=O)cc1,CHEMBL210642,6.44
+CC(=O)Nc1nc2c(N)cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL378514,9.0
+CC(=O)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL379791,8.22
+COc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1,CHEMBL377523,6.61
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL224125,5.67
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224669,6.6
+Cc1ccc(CCNc2c(C(=O)OCC3CC3)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL375690,7.2
+O=C(OCC1CC1)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL224307,7.32
+CCCNc1c(C(=O)OCC2CC2)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL375885,6.96
+CCC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL374620,7.21
+CCCNc1c(C(=O)OC(C)CC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL223450,7.29
+CCC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224852,6.71
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL225523,5.72
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCC,CHEMBL376747,6.02
+CCCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL223229,6.05
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1,CHEMBL389060,7.39
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(Cl)c1,CHEMBL224619,7.0
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1Cl,CHEMBL223821,7.36
+COc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL375154,8.133
+Cc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3CC(Cl)c2ccccc2)cc1,CHEMBL224933,7.32
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL427255,7.51
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL224098,6.25
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCOCC1,CHEMBL388388,5.74
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL224621,5.97
+CCCNc1c(C(=O)OC(C)C)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL389405,7.62
+CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL224083,7.44
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL390096,6.89
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL224179,5.86
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL223340,5.53
+CCCNc1c(C(=O)OCCC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL223451,6.84
+CCCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NC1CC1,CHEMBL376193,6.81
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1,CHEMBL224909,7.72
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(Cl)c1,CHEMBL389644,6.75
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1Cl,CHEMBL224313,7.12
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(F)cc1,CHEMBL225398,7.92
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1cccc(F)c1,CHEMBL224097,7.48
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1F,CHEMBL224620,7.8
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(OC)cc1,CHEMBL223871,8.0
+CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(C)cc1,CHEMBL376588,7.66
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(OC)cc1,CHEMBL224545,8.187000000000001
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccc(C)cc1,CHEMBL375558,7.82
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCCc1ccccc1,CHEMBL391004,7.06
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,CHEMBL225026,6.85
+COC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCC1,CHEMBL225522,5.37
+CCCNc1c(C(=O)OC)cnc2c1cnn2CC(Cl)c1ccccc1,CHEMBL225341,6.77
+CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL227944,6.45
+OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL226874,8.43
+CC(O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL375066,8.32
+OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL389222,7.27
+Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21,CHEMBL227772,8.94
+Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21,CHEMBL388520,8.17
+Fc1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21,CHEMBL227798,7.82
+CCCCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL227797,7.6
+CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL227893,8.37
+CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL388344,8.49
+CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL227677,7.96
+CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F,CHEMBL390530,7.6
+Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21,CHEMBL375677,7.47
+Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21,CHEMBL389856,8.05
+Clc1ccccc1Cn1nnc2c(NC3CCC3)nc(-c3ccccc3)nc21,CHEMBL226608,7.62
+Clc1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21,CHEMBL373950,7.96
+CCCCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL224718,7.51
+CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL224717,7.1
+CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL226720,7.0
+CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL226719,6.33
+CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL226563,6.72
+OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL226562,7.67
+CC(O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL227143,8.12
+OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL390359,7.42
+c1ccc(Cn2nnc3c(NC4CCCCC4)cc(-c4ccccc4)nc32)cc1,CHEMBL427437,8.8
+c1ccc(Cn2nnc3c(NC4CCCC4)nc(-c4ccccc4)nc32)cc1,CHEMBL389696,7.96
+c1ccc(Cn2nnc3c(NC4CCC4)nc(-c4ccccc4)nc32)cc1,CHEMBL224273,8.3
+c1ccc(Cn2nnc3c(NC4CC4)nc(-c4ccccc4)nc32)cc1,CHEMBL376366,7.95
+CCCCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL268590,7.88
+CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL388818,7.96
+CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL227142,7.43
+CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1,CHEMBL390777,7.04
+OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL389388,6.94
+CC(O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL227397,7.49
+OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl,CHEMBL224274,7.48
+CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F,CHEMBL390968,7.83
+OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F,CHEMBL227848,6.83
+FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21,CHEMBL227945,8.17
+FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21,CHEMBL226867,9.22
+FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21,CHEMBL226866,8.11
+CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F,CHEMBL228225,8.19
+C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21,CHEMBL254063,6.27
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL400782,7.89
+C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL400190,7.87
+C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL251799,6.34
+C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL429667,6.51
+C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL251798,6.64
+C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21,CHEMBL254898,6.42
+CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL398544,6.34
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254896,6.21
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254693,6.11
+C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL398543,5.57
+C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21,CHEMBL254692,5.64
+CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL254691,6.11
+CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL400331,6.03
+CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL254483,6.21
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@](C)(O)[C@@H]1O,CHEMBL254482,6.03
+CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254270,7.12
+CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254065,7.19
+CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O,CHEMBL254064,6.81
+O=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12,CHEMBL484720,7.26
+O=C(Nc1cccc(I)c1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484520,6.44
+O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484314,7.0
+COc1ccc(-n2nc3c(NC(=O)NCc4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL484112,7.68
+O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL508203,8.39
+CS(=O)(=O)N(c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)S(C)(=O)=O,CHEMBL519319,7.44
+CS(=O)(=O)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL483116,5.55
+CS(=O)(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL483310,6.79
+O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3c([N+](=O)[O-])cccc3n12,CHEMBL483309,6.68
+COc1ccc(-n2nc3c(NS(=O)(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,CHEMBL482701,5.33
+O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12,CHEMBL482504,6.8
+COc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1,CHEMBL526134,6.63
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1,CHEMBL502005,7.24
+O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1cccc(I)c1,CHEMBL484497,6.33
+COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1,CHEMBL521299,6.97
+O=C(NCc1ccccc1)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL484313,8.34
+O=c1[nH]c2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL514196,6.84
+O=c1[nH]c2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12,CHEMBL475792,6.51
+O=c1[nH]c2ncccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL473634,6.35
+Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL474636,8.51
+COc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1,CHEMBL474977,5.96
+Nc1nc2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12,CHEMBL515433,6.74
+Nc1nc2ncccc2n2c(=O)n(-c3ccc(O)cc3)nc12,CHEMBL514155,6.95
+O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ncccc3n12,CHEMBL473648,9.42
+O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12,CHEMBL473649,9.33
+CC(=O)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL514156,7.85
+O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1,CHEMBL473650,6.82
+O=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL473839,8.15
+COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1,CHEMBL474016,6.45
+O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,CHEMBL516372,7.15
+CC(C)(C)C(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O,CHEMBL2261736,5.29
+O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(C(=O)c3ccccc3)cc21,CHEMBL2261729,5.19
+O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc21,CHEMBL2261733,5.24
+CCCN1C(=O)C2NC(c3ccc(OCC(=O)NCCNC(=O)NCC(=O)NCC(=O)NCC(=S)c4ccc(C5c6ccc(O)cc6Oc6cc(O)ccc65)c(C(=O)O)c4)cc3)=NC2N(CCC)C1=O,CHEMBL2413239,7.77
+CCCN1C(=O)C2NC(c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(C5c6ccc(O)cc6Oc6cc(O)ccc65)c(C(=O)O)c4)cc3)=NC2N(CCC)C1=O,CHEMBL2413238,8.03
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12,CHEMBL2413101,8.79
+O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1,CHEMBL2413100,8.54
diff --git a/chembl_200/CHEMBL4980.csv b/chembl_200/CHEMBL4980.csv
new file mode 100644
index 0000000000000000000000000000000000000000..e2b5eab2f9b5dce937c1e3652b8d6023b5506247
--- /dev/null
+++ b/chembl_200/CHEMBL4980.csv
@@ -0,0 +1,786 @@
+O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1,CHEMBL420156,7.19
+c1ccc2sc(CO[C@@H]3CN4CCC3CC4)cc2c1,CHEMBL125069,7.89
+C1=C(c2ccccn2)C2CC[C@H](CC1)N2,CHEMBL327104,4.32
+C1=C(c2cccnn2)C2CC[C@H](CC1)N2,CHEMBL111008,7.16
+O=C1NC[C@@]2(CN3CCC2CC3)O1,CHEMBL193016,6.595
+CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1,CHEMBL335712,6.83
+c1cncc([C@@H]2CCCN2)c1,CHEMBL6200,5.895
+CN1CC[C@@H]2CCc3ccncc3[C@@H]21,CHEMBL417278,6.23
+c1cc2c(cn1)[C@@H]1NCC[C@@H]1CC2,CHEMBL22285,4.69
+CNCC/C=C/c1cccnc1,CHEMBL132966,4.44
+O=C1CCC2(CN3CCC2CC3)O1,CHEMBL133295,5.43
+O=C1OCC2(CN3CCC2CC3)O1,CHEMBL338698,6.25
+CCN1CC2(CN3CCC2CC3)OC1=O,CHEMBL129951,6.16
+O=C1CC2(CN1)CN1CCC2CC1,CHEMBL131574,5.4
+O=C1NCCC2(CN3CCC2CC3)O1,CHEMBL336197,4.64
+c1ccc2c(c1)ccc[n+]2CCCCCC[n+]1cccc2ccccc21,CHEMBL430870,4.88
+c1cc[n+](CCCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL102757,4.48
+c1ccc2c(c1)ccc[n+]2CCCCCCCCCCCC[n+]1cccc2ccccc21,CHEMBL104387,5.79
+c1ccc2c(c1)ccc[n+]2CCCCCCCCCC[n+]1cccc2ccccc21,CHEMBL419357,5.11
+c1ccc2c(c1)ccc[n+]2CCCCCCCCCCC[n+]1cccc2ccccc21,CHEMBL105257,5.59
+c1ccc2c[n+](CCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104265,4.93
+c1ccc2c[n+](CCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL105538,5.14
+c1ccc2c[n+](CCCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL105537,5.66
+c1ccc2c(c1)ccc[n+]2CCCCCCCCC[n+]1cccc2ccccc21,CHEMBL105017,5.45
+c1ccc2c[n+](CCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104553,5.23
+c1cc[n+](CCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL430886,4.24
+COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,CHEMBL1687,5.32
+c1ccc2c(c1)ccc[n+]2CCCCCCCC[n+]1cccc2ccccc21,CHEMBL276745,5.62
+c1ccc2c[n+](CCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL104613,5.26
+CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL293527,4.775
+c1ccc2c[n+](CCCCCC[n+]3ccc4ccccc4c3)ccc2c1,CHEMBL323144,4.8
+C1=C(c2cccnc2)C2CCC(CC1)N2,CHEMBL444572,7.05
+Clc1ccc(C2=CCCC3CCC2N3)cn1,CHEMBL63102,5.553
+C1=C(c2cnccc2-c2ccccc2)C2CCC(CC1)N2,CHEMBL93983,6.03
+C1=C(c2ccc(-c3ccccc3)nc2)C2CCC(CC1)N2,CHEMBL329084,5.88
+C1=C(c2cncc(-c3ccccc3)c2)C2CCC(CC1)N2,CHEMBL96828,4.8
+N#[N+][N-]c1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55716,8.01
+Fc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL54686,8.46
+Clc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL417027,8.95
+Clc1ncc(C2CC3CCC2N3)cc1Br,CHEMBL56340,6.82
+Nc1cc(C2CC3CCC2N3)cnc1Cl,CHEMBL55661,7.86
+Nc1cc([C@H]2CC3CCC2N3)cnc1Cl,CHEMBL142278,7.86
+Clc1cc([C@H]2CC3CCC2N3)cnc1Cl,CHEMBL357016,8.95
+O=c1ccc([C@H]2CC3CCC2N3)c[nH]1,CHEMBL144958,6.17
+Nc1ncc([C@H]2CC3CCC2N3)cc1I,CHEMBL143213,7.47
+c1cc[n+](CCCCCCCCCCCCCC[n+]2ccccc2)cc1,CHEMBL54580,4.48
+C[N+]1(C)CCN(C2=CC(=O)CC2)CC1,CHEMBL128682,6.07
+C[N+]1(C)CCC(c2ccccc2)CC1,CHEMBL125636,6.22
+CC(=O)Oc1cccc(N2CCN(C)CC2)c1,CHEMBL341158,6.1
+Clc1ccc(N2CCNCC2)nn1,CHEMBL127023,5.99
+CC(=O)Oc1cccc(N2CC[N+](C)(C)CC2)c1,CHEMBL129790,8.17
+C[N+]1(C)CCN(c2cccc(F)c2)CC1,CHEMBL126197,7.66
+C[N+]1(C)CCN(C2=CC(=O)CCC2)CC1,CHEMBL126498,5.84
+C[N+]1(C)CC=C(c2ccccc2)CC1,CHEMBL129772,6.12
+C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1,CHEMBL129827,8.35
+C=C(C=O)C[C@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1,CHEMBL216458,8.24
+O=C1O[C@]2(CN3CCC2CC3)CN1c1cc2ccccc2s1,CHEMBL192237,7.12
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccccc2c1,CHEMBL192478,7.51
+O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc2ccccc2c1,CHEMBL195801,6.69
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccccc2n1,CHEMBL363198,6.35
+O=C1O[C@]2(CN3CCC2CC3)CN1c1nc2ccccc2s1,CHEMBL189150,6.37
+O=C1O[C@]2(CN3CCC2CC3)CN1c1cc2ccccc2o1,CHEMBL189385,6.43
+O=C1O[C@]2(CN3CCC2CC3)CN1c1cccs1,CHEMBL362962,7.1
+Cc1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL190604,7.92
+CCc1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL371114,7.68
+CC(C)c1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL189795,7.19
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Cl)s1,CHEMBL192704,8.05
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Br)s1,CHEMBL190354,8.4
+N#Cc1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL189370,7.07
+CC(=O)c1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL372018,6.72
+CC(O)c1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1,CHEMBL191450,6.84
+O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,CHEMBL554984,7.645
+Clc1cncc(C2CC3CCC2N3)c1,CHEMBL178369,7.3
+Brc1cncc(C2CC3CCC2N3)c1,CHEMBL178532,6.79
+Ic1cncc(C2CC3CCC2N3)c1,CHEMBL369147,6.792999999999999
+Nc1cncc(C2CC3CCC2N3)c1,CHEMBL176110,6.14
+C=Cc1cncc(C2CC3CCC2N3)c1,CHEMBL354910,6.46
+C#Cc1cncc(C2CC3CCC2N3)c1,CHEMBL178606,8.3
+CN1C2CCC1C(c1cncc(I)c1)C2,CHEMBL359940,7.48
+O=C(Nc1ccc(Sc2ccccc2)cc1)OC1CN2CCC1CC2,CHEMBL194927,7.28
+O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL194115,8.15
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL371517,8.3
+O=C(Nc1ccccc1)OC1CN2CCC1CC2,CHEMBL193996,6.92
+O=C(Nc1ccc(Br)cc1)OC1CN2CCC1CC2,CHEMBL372419,7.4
+O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL195417,8.05
+COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2,CHEMBL195592,7.54
+COc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1,CHEMBL195731,6.84
+CC(C)Oc1cncc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)c1,CHEMBL194006,5.15
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cncnc1,CHEMBL193419,7.4
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cnc2ccccc2c1,CHEMBL194563,5.0
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccccc1,CHEMBL436087,6.08
+CN(C)c1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1,CHEMBL195873,5.92
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccc(F)cc1,CHEMBL193767,6.58
+CS(=O)(=O)c1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CCN2CC3)cc1,CHEMBL370080,5.17
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cn1ccnc1,CHEMBL193743,8.0
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccsc1,CHEMBL196611,6.27
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccco1,CHEMBL197307,6.63
+O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cc2ccccc2o1,CHEMBL195196,5.08
+O=C(Nc1ccc(F)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193441,8.22
+COc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL194083,8.3
+O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193483,7.3
+O=C(Nc1ccc(-c2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL195633,6.3
+O=C(NCc1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193632,6.17
+O=C(NC1CC1c1ccccc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL264771,6.99
+O=C(Nc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193866,8.05
+O=C(Nc1cccc(Br)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL372508,7.28
+COc1ccccc1NC(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193418,7.52
+COc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1,CHEMBL426090,7.37
+COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL195601,7.43
+COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c(OC)c1,CHEMBL363618,7.51
+CSc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL193378,8.22
+O=C(Nc1ccc(F)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193640,7.13
+O=C(Nc1cccc(F)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL194390,8.22
+O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL372253,7.47
+O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL196880,7.04
+N#Cc1cccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c1,CHEMBL195089,6.77
+CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL193579,7.42
+O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL194055,7.8
+O=C(Nc1ccc(-c2ccccc2)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL371398,6.37
+O=C(Nc1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL372276,7.8
+O=C(NCc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL195775,6.56
+O=C(NC1CC1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193536,6.98
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Br)cc1,CHEMBL370523,8.15
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cccc(Br)c1,CHEMBL373265,7.19
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1,CHEMBL194291,7.28
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(F)cc1,CHEMBL196564,7.92
+CN(C)c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL372317,6.87
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1,CHEMBL196472,8.05
+Cn1cccc1C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL197356,6.81
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccsc1,CHEMBL364084,6.1
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1csc(Br)c1,CHEMBL382101,9.4
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(-c2ccccn2)s1,CHEMBL365992,9.15
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(I)s1,CHEMBL193830,9.92
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL194082,9.0
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1c[nH]c2ccccc12,CHEMBL191825,8.1
+Cn1cc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c2ccccc21,CHEMBL371851,6.28
+O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc2ccccc2c1O,CHEMBL195470,9.0
+O=C(/C=C/c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL195090,9.22
+C/C(=C\c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL194724,8.3
+C/C(=C\C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1,CHEMBL194171,7.06
+O=S(=O)(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Br)cc1,CHEMBL193608,5.09
+O=S(=O)(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1,CHEMBL192422,6.38
+COc1ccc(S(=O)(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL191897,5.05
+NC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1,CHEMBL435291,6.84
+O=S(=O)(Cc1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1,CHEMBL193444,5.05
+Clc1ccc([C@@H]2CC3CNC2C3)cn1,CHEMBL186302,8.41
+Clc1ccc([C@@H]2CC3CC2CN3)cn1,CHEMBL186070,8.2
+CC(C)O/N=C/[C@H]1CCCN1C,CHEMBL362727,4.33
+CC(C)=NOC[C@@H]1CCCN1C,CHEMBL186295,4.31
+O=[N+]([O-])c1ccc2c(c1)C1CNCC2C1,CHEMBL535600,5.13
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,CHEMBL122270,5.2
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL333465,4.59
+CN1[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1,CHEMBL191947,4.6
+CN1[C@@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL190870,4.4
+CN1[C@H](/C=C/c2ccccc2)CCC[C@H]1CCc1ccccc1,CHEMBL189788,4.26
+C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1,CHEMBL193292,4.47
+C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1,CHEMBL187455,4.82
+C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL190113,5.02
+C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1,CHEMBL188912,5.62
+O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL365956,6.4
+CC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL190851,5.91
+O=C(N[C@H]1CN2CCC1CC2)c1cc2sccc2cn1,CHEMBL268939,8.3
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccsc2cn1,CHEMBL210865,8.2
+O=C(N[C@H]1CN2CCC1CC2)c1cc2occc2cn1,CHEMBL214195,7.3
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,CHEMBL214268,8.055
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1,CHEMBL379302,7.9
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)CCO2,CHEMBL378496,7.82
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1,CHEMBL378471,8.8
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1,CHEMBL378349,8.68
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2sccc2c1,CHEMBL208565,8.16
+O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)CCN2,CHEMBL211572,7.08
+Cc1oc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc2c1Br,CHEMBL2113235,7.96
+CCc1c(C)oc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12,CHEMBL2113234,7.82
+Cc1oc2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)cc2c1C,CHEMBL213137,8.4
+O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc2occ(Br)c2c1,CHEMBL211575,8.4
+CCc1coc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12,CHEMBL2113242,8.1
+Cc1coc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12,CHEMBL2113241,8.52
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2sc(Cl)cc2c1,CHEMBL2113240,7.47
+CCc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1,CHEMBL2113239,6.87
+Cc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1,CHEMBL2113238,7.8
+Cc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2o1,CHEMBL2113233,7.42
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2sccc2c1,CHEMBL2113232,7.55
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2c(c1)OCC2,CHEMBL2113231,6.39
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2c(c1)CCO2,CHEMBL2113230,7.07
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccoc2c1,CHEMBL2113229,7.3
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2occc2c1,CHEMBL2113228,7.72
+Cc1nc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1,CHEMBL2113227,7.22
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2c(c1)OCCO2,CHEMBL2113237,6.76
+O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2c(c1)OCO2,CHEMBL2113236,7.43
+O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc2c(c1)CCC2,CHEMBL377970,6.7
+O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc(Br)s1,CHEMBL213024,8.4
+C[N+](C)(C)CCOc1cccnc1,CHEMBL345732,6.55
+C[N+](C)(C)CCOc1ccccc1,CHEMBL209891,5.96
+C[N+](C)(C)CCOc1ccc(CCc2ccccc2)nc1,CHEMBL209636,5.36
+C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)cc1,CHEMBL379830,5.66
+C[N+](C)(C)CCOc1ccc(CCc2ccccc2)cc1,CHEMBL209788,5.12
+C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)nc1,CHEMBL212819,5.9
+CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1,CHEMBL2103769,5.19
+CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CCc1ccccc1,CHEMBL122317,4.41
+CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL125511,5.92
+CN1[C@H](/C=C/c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1,CHEMBL425617,5.77
+Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1,CHEMBL298517,8.31
+Clc1ccc(C2CC3CCCC2N3)cn1,CHEMBL535389,7.89
+CN1CCC[C@@H]1[C@H]1COc2ccccc2O1,CHEMBL481374,4.405
+CN1CCC[C@H]1[C@@H]1COc2ccccc2O1,CHEMBL481368,4.8
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C(C)[C@H](C4CCCCC4)C3=O)CC[C@H](OC)C34C2[C@H](OC)[C@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL267682,7.57
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C(C)[C@H](c4ccccc4)C3=O)CC[C@H](OC)C34C2[C@H](OC)[C@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL413306,8.78
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C(C)[C@H](C)C3=O)CC[C@H](OC)C34C2[C@H](OC)[C@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL442048,8.61
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)(C)C3=O)CC[C@H](OC)C34C2[C@H](OC)[C@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL387363,8.75
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL3349999,8.67
+CN1CCC[C@H]1c1ccc2ncccc2c1,CHEMBL242777,4.38
+C[N+](C)(C)CCC#Cc1ccc2ncccc2c1,CHEMBL390227,6.85
+C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1,CHEMBL389982,7.05
+C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1,CHEMBL389786,5.8
+CN1CCC[C@@H]1c1ccc2ncccc2c1,CHEMBL388267,5.09
+Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1,CHEMBL429317,8.232999999999999
+CNC1(CCc2cccnc2)CC1,CHEMBL537913,5.72
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2c(c1)OCCO2,CHEMBL257145,7.54
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1,CHEMBL404299,7.85
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sccc2cn1,CHEMBL403857,8.15
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1,CHEMBL258239,7.68
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1,CHEMBL258031,8.21
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1,CHEMBL403858,8.54
+O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Cl)cc1,CHEMBL256578,7.74
+Clc1ccc(N2CC3CC(C2)N3)cn1,CHEMBL462846,8.39
+CN1C2CC1CN(c1ccc(Cl)nc1)C2,CHEMBL470573,7.7
+Clc1ccc(N2CC3CC(C2)N3)nn1,CHEMBL470367,7.6
+O=[N+]([O-])c1ccc(N2CC3CC(C2)N3)cc1,CHEMBL470366,4.55
+Brc1ccc(N2CC3CC(C2)N3)cn1,CHEMBL463229,7.3
+c1cncc(N2CC3CC(C2)N3)c1,CHEMBL472243,8.87
+CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC,CHEMBL451640,7.1
+Cc1cc([C@H]2C[C@H]3CC[C@H]2N3)on1,CHEMBL503604,8.22
+Cc1cc(C2=CC3CCC2N3C)on1,CHEMBL525968,6.4
+Cc1cc(C2=CC3CCC2N3)on1,CHEMBL449716,5.8
+Cc1cc([C@@H]2C[C@H]3CC[C@H]2N3)on1,CHEMBL504313,6.64
+CN1CCC[C@H]1[C@H]1CNC(=O)O1,CHEMBL220553,4.0
+CN1CCC[C@@H]1[C@@H]1CNC(=O)O1,CHEMBL385227,4.37
+CN1CCC[C@H]1[C@@H]1CNC(=O)O1,CHEMBL500313,4.68
+CN1CCC[C@@H]1[C@H]1CNC(=O)O1,CHEMBL472318,4.0
+CN1CCC[C@@H]1[C@@H]1COc2ccccc2O1,CHEMBL446731,4.83
+CN1CCC[C@H]1[C@H]1COc2ccccc2O1,CHEMBL445298,4.84
+c1ccc2c(c1)OC[C@@H]([C@@H]1CCCN1)O2,CHEMBL506154,4.44
+c1ccc2c(c1)OC[C@H]([C@H]1CCCN1)O2,CHEMBL480686,4.83
+c1ccc2c(c1)OC[C@@H]([C@H]1CCCN1)O2,CHEMBL452192,4.57
+c1ccc2c(c1)OC[C@H]([C@@H]1CCCN1)O2,CHEMBL481723,4.49
+O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1,CHEMBL502295,6.36
+O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1,CHEMBL502030,6.26
+O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1,CHEMBL502029,5.65
+NC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL483804,5.44
+O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCc2ccncc2)C1,CHEMBL525735,5.38
+O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCCc2ccccc2)C1,CHEMBL500426,4.89
+O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCc2ccccc2)C1,CHEMBL497946,4.6
+CCCCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,CHEMBL519673,4.4
+O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1,CHEMBL524813,4.1
+CN1C[C@H]2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)C[C@H]2C1,CHEMBL496851,9.62
+Cc1cccc(-c2ccc(N3C[C@@H]4CN(C)C[C@@H]4C3)nn2)c1,CHEMBL3217112,8.35
+CN1C[C@H]2CN(c3ccc(-c4ccc(O)cc4)nn3)C[C@H]2C1,CHEMBL500434,8.28
+C[N+]1(C)C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1,CHEMBL497943,8.22
+CN1C[C@H]2CN(c3ccc(-c4cccc(O)c4)nn3)C[C@H]2C1,CHEMBL3216219,8.1
+c1ccc(-c2ccc(N3C[C@@H]4CNC[C@@H]4C3)cn2)cc1,CHEMBL497727,8.08
+CN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1,CHEMBL526281,7.965
+Cc1ccc(-c2ccc(N3C[C@@H]4CN(C)C[C@@H]4C3)nn2)cc1,CHEMBL3216220,7.94
+CN1C[C@H]2CN(c3ccc(-c4ccccc4)cc3)C[C@H]2C1,CHEMBL3216428,7.92
+CN1C[C@H]2CN(c3ccc(-c4ccccc4)cn3)C[C@H]2C1,CHEMBL496891,7.77
+c1ccc(-c2ccc(N3C[C@@H]4CNC[C@@H]4C3)nn2)cc1,CHEMBL506103,7.76
+COc1ccc(-c2ccc(N3C[C@@H]4CN(C)C[C@@H]4C3)nn2)cc1,CHEMBL500433,7.66
+c1ccc(-c2ccc(N3C[C@@H]4CNC[C@@H]4C3)cc2)cc1,CHEMBL497059,7.55
+c1ccc(-c2ccc(N3C[C@@H]4CNC[C@@H]4C3)nc2)cc1,CHEMBL497051,7.52
+CN1C[C@H]2CN(c3ccc(-c4cccc([N+](=O)[O-])c4)nc3)C[C@H]2C1,CHEMBL523758,7.52
+CN1C[C@H]2CN(c3ccc(-c4cccc(-c5ccccc5)c4)nc3)C[C@H]2C1,CHEMBL502022,7.36
+c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3215564,7.29
+Brc1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL486511,7.18
+Clc1ccc(N2C[C@@H]3CNC[C@@H]3C2)cn1,CHEMBL484831,6.74
+COc1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3216011,6.62
+Brc1ccc(N2C[C@@H]3CNC[C@@H]3C2)cn1,CHEMBL498943,6.54
+CCN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1,CHEMBL498262,6.48
+C[N+]1(C)C[C@@H]2CN(c3ccc(Cl)nc3)C[C@@H]2C1,CHEMBL496700,6.47
+CCOc1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3216012,5.84
+CN1C[C@H]2CN(c3cccnc3)C[C@H]2C1,CHEMBL3217104,5.8
+c1ccc(-c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)cc1,CHEMBL496667,5.34
+O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2,CHEMBL564850,7.64
+O=C(c1ccccc1)c1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br,CHEMBL564825,7.8
+O=C(Oc1ccc(Cl)c(F)c1)N1CCN2CCC1CC2,CHEMBL555703,7.07
+O=C(Oc1ccc(Cl)c(Cl)c1)N1CCN2CCC1CC2,CHEMBL552994,7.51
+Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br,CHEMBL551330,7.3
+O=C(Oc1ccc(Br)c(Cl)c1)N1CCN2CCC1CC2,CHEMBL561469,7.48
+O=C(Oc1ccc(-c2ccncc2)cc1)N1CCN2CCC1CC2,CHEMBL550460,6.68
+O=C(Oc1ccc(-c2cccnc2)cc1)N1CCN2CCC1CC2,CHEMBL551329,6.69
+O=C(Oc1ccc(-c2ccccn2)cc1)N1CCN2CCC1CC2,CHEMBL551328,6.45
+O=C(Oc1cccc(Oc2ccccc2)c1)N1CCN2CCC1CC2,CHEMBL554400,7.89
+O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2,CHEMBL550927,6.67
+O=C(Oc1cccc(-c2ccccc2)c1)N1CCN2CCC1CC2,CHEMBL552005,8.05
+O=C(Oc1ccc(-c2ccccc2)cc1)N1CCN2CCC1CC2,CHEMBL564816,6.67
+O=C(c1ccccc1)c1cccc(OC(=O)N2CCN3CCC2CC3)c1,CHEMBL561070,7.96
+O=C(c1ccccc1)c1ccc(OC(=O)N2CCN3CCC2CC3)cc1,CHEMBL550520,7.02
+COc1cccc(OC(=O)N2CCN3CCC2CC3)c1,CHEMBL558127,7.1
+COc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,CHEMBL562952,6.7
+Cc1cccc(OC(=O)N2CCN3CCC2CC3)c1,CHEMBL550054,7.6
+O=C(Oc1ccccc1Br)N1CCN2CCC1CC2,CHEMBL560668,6.14
+O=C(Oc1cccc(Br)c1)N1CCN2CCC1CC2,CHEMBL564821,8.02
+O=C(Oc1ccccc1Cl)N1CCN2CCC1CC2,CHEMBL541691,6.06
+O=C(Oc1cccc(Cl)c1)N1CCN2CCC1CC2,CHEMBL551404,7.49
+O=C(Oc1ccc(Cl)cc1)N1CCN2CCC1CC2,CHEMBL561933,7.1
+O=C(Oc1cccc(F)c1)N1CCN2CCC1CC2,CHEMBL553484,7.46
+O=C(Oc1ccc(F)cc1)N1CCN2CCC1CC2,CHEMBL559599,6.27
+O=C(Oc1ccccc1)N1CCN2CCC1CC2,CHEMBL563848,6.13
+O=C(OCc1ccccc1)N1CCN2CCC1CC2,CHEMBL556080,5.47
+S=C(Oc1ccccc1)N1CCN2CCC1CC2,CHEMBL560069,6.13
+O=C(Nc1ccc(Br)cc1)N1CCN2CCC1CC2,CHEMBL552931,6.48
+O=C(Oc1ccc(Br)cc1)N1CCN2CCC(CC2)C1,CHEMBL563309,6.12
+O=C(Oc1ccc(Br)cc1)N1CCCN2CCC1CC2,CHEMBL553929,6.42
+O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2,CHEMBL559478,7.56
+O=C(Nc1ccc(Br)cc1)OC1CN2CCC1C2,CHEMBL559244,6.78
+C1=C(c2cccnc2)C2CCN1CC2,CHEMBL64779,6.96
+C[N+]12CCC(CC1)C(c1ccc(N3CCOCC3)nc1)C2,CHEMBL577968,5.21
+c1cc(N2CCOCC2)ncc1C1CN2CCC1CC2,CHEMBL570620,6.46
+C[N+]12C=C(c3ccc(N4CCOCC4)nc3)C(CC1)CC2,CHEMBL579276,5.25
+C1=C(c2ccc(N3CCOCC3)nc2)C2CCN1CC2,CHEMBL577107,6.4
+C1=C(c2ccc(N3CCOCC3)nc2)C2CCC1N2,CHEMBL571077,4.48
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1,CHEMBL565540,6.308
+CN(C)C1CCN(c2ccc(-c3ccccc3)nn2)C1,CHEMBL592273,6.32
+CCN(C)C1CCN(c2ccc(-c3ccccc3)nn2)C1,CHEMBL601927,6.13
+c1ccc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)cc1,CHEMBL590860,6.32
+c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5ccccn5)C[C@@H]4C3)nn2)cc1,CHEMBL591099,6.27
+c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5cccnc5)C[C@@H]4C3)nn2)cc1,CHEMBL604987,8.44
+c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5ccncc5)C[C@@H]4C3)nn2)cc1,CHEMBL590381,6.27
+Clc1ccc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)cn1,CHEMBL600054,6.99
+CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2[C@@H]1COc1cccnc1,CHEMBL589888,6.49
+CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2[C@H]1COc1cccnc1,CHEMBL589164,7.38
+c1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL611082,7.65
+Fc1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL598873,7.68
+Clc1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL608735,8.72
+Brc1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL597644,8.67
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL597842,7.47
+Cc1ccc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL607857,7.75
+c1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597843,7.52
+c1cc2oc(N3CCN4CCC3CC4)nc2cn1,CHEMBL608144,6.51
+c1cc2nc(N3CCN4CCC3CC4)oc2cn1,CHEMBL598045,6.51
+c1cnc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL605715,7.39
+Brc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL611369,8.68
+Clc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597241,9.0
+Fc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597440,7.76
+Cc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL608726,8.18
+CCc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL597441,7.65
+c1ccc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)cc1,CHEMBL606383,8.15
+Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL604798,7.87
+Clc1cnc2oc(N3CCN4CCC3CC4)nc2c1,CHEMBL597276,8.59
+c1ccc(-c2cnc3oc(N4CCN5CCC4CC5)nc3c2)cc1,CHEMBL597476,8.64
+Cc1ccc2nc(N3CCN4CCC3CC4)oc2n1,CHEMBL597681,7.05
+N#Cc1cnc2nc(N3CCN4CCC3CC4)oc2c1,CHEMBL610205,8.21
+c1cc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)n[nH]1,CHEMBL605840,7.64
+c1cncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)c1,CHEMBL597687,6.92
+c1ncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)cn1,CHEMBL605955,7.22
+c1ccc(Oc2cnc3nc(N4CCN5CCC4CC5)oc3c2)cc1,CHEMBL606254,8.38
+Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1F,CHEMBL597688,7.82
+Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1Cl,CHEMBL603052,8.5
+CCc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL598555,7.73
+CC(C)c1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL609622,8.04
+c1cc2oc(N3CCN4CCC3CC4)nc2nc1C1CCCC1,CHEMBL610212,8.28
+c1ccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)cc1,CHEMBL597537,8.49
+Fc1ccccc1-c1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL597737,8.46
+COc1ccc2oc(N3CCN4CCC3CC4)nc2n1,CHEMBL601899,7.6
+c1ccc(Oc2ccc3oc(N4CCN5CCC4CC5)nc3n2)cc1,CHEMBL605573,7.76
+c1cc2oc(N3CCN4CCC3CC4)nc2nc1N1CCCCC1,CHEMBL599590,7.17
+c1cc2oc(N3CCN4CCC3CC4)nc2nc1N1CCCC1,CHEMBL610228,8.72
+Clc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1ccccc1,CHEMBL1075632,6.59
+Fc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1097691,6.51
+Fc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1097692,6.6
+Clc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1098030,6.68
+Clc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1098031,7.52
+Clc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1cccc(Br)c1,CHEMBL1098032,7.07
+O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1098033,6.6
+O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1096352,6.64
+Nc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1096353,6.63
+Nc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1076992,6.59
+COc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1,CHEMBL1085916,6.76
+COc1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1085917,6.25
+CN(C)c1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1,CHEMBL1084416,5.96
+O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2)nc1,CHEMBL1083787,7.36
+Clc1ccc(N2C[C@@H]3C[C@H]2CN3)nn1,CHEMBL1083027,6.52
+Clc1ccc(N2C[C@H]3C[C@@H]2CN3)nn1,CHEMBL1083028,6.31
+CN1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1,CHEMBL1083029,5.83
+CN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1,CHEMBL1083278,6.13
+C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1,CHEMBL1083279,7.67
+c1ccc(-c2ccc(N3C[C@@H]4C[C@H]3CN4)nn2)cc1,CHEMBL1083280,8.0
+C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1083281,10.18
+CN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1082615,6.67
+C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1082972,8.66
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1,CHEMBL1082655,8.13
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3occc3c2)nn1,CHEMBL1083301,7.85
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)nn1,CHEMBL1083302,8.51
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3n[nH]cc3c2)nn1,CHEMBL1083303,9.05
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)nn1,CHEMBL1083304,9.4
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1,CHEMBL1083614,8.68
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)nn1,CHEMBL1082315,7.89
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3cc[nH]c3c2)nn1,CHEMBL1083615,8.15
+Cc1cc2cc(-c3ccc(N4C[C@@H]5C[C@H]4CN5C)nn3)ccc2[nH]1,CHEMBL1083616,9.52
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccccc2)cn1,CHEMBL1083617,7.74
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3occc3c2)cn1,CHEMBL1084021,7.21
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3sccc3c2)cn1,CHEMBL1084022,7.46
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3n[nH]cc3c2)cn1,CHEMBL1083587,8.2
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1082466,9.0
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1082786,7.77
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2cccc3[nH]ccc23)cn1,CHEMBL1086505,7.59
+CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3cc[nH]c3c2)cn1,CHEMBL1086506,7.3
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccccc2)cn1,CHEMBL1085581,7.21
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3occc3c2)cn1,CHEMBL1085805,7.02
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3sccc3c2)cn1,CHEMBL1085806,7.48
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3n[nH]cc3c2)cn1,CHEMBL1086523,8.12
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1086524,8.96
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1086525,7.82
+CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2cccc3[nH]ccc23)cn1,CHEMBL1085599,7.14
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)cn1,CHEMBL1085824,8.51
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3occc3c2)cn1,CHEMBL1085089,8.36
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)cn1,CHEMBL1085090,8.54
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3n[nH]cc3c2)cn1,CHEMBL1085091,9.52
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ccc3c2)cn1,CHEMBL1086480,9.7
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1,CHEMBL1086481,8.52
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)cn1,CHEMBL1085778,8.0
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3cc[nH]c3c2)cn1,CHEMBL1085779,8.27
+Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163379,6.36
+Cc1cc(O)cc(C)c1/C=C1\CCCN=C1c1cccnc1,CHEMBL1163432,5.26
+COc1cc(/C=C2\CCCN=C2c2cccnc2)cc(OC)c1OC,CHEMBL1164570,5.46
+FC(F)(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165211,5.51
+COc1ccc(CC2CCCN=C2c2cccnc2)c(OC)c1,CHEMBL1164423,5.36
+CC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164115,5.65
+Clc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165185,5.95
+FC(F)(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163380,6.03
+FC(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165786,6.0
+C(=C1\CCCN=C1c1cccnc1)\c1ccc(-n2ccnn2)cc1,CHEMBL1165277,5.93
+COc1cccc(/C=C2\CCCN=C2c2cccnc2)c1,CHEMBL1164724,6.34
+Cc1cc(C)c(/C=C2\CCCN=C2c2cccnc2)c(C)c1,CHEMBL1164471,5.82
+Cc1cc(/C=C2\CCCN=C2c2cccnc2)cc(C)c1O,CHEMBL1164015,6.28
+CC(C)(C)C(=O)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165301,6.19
+CC(C)(C)C(=O)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164133,6.16
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)=O)c1,CHEMBL1165485,6.52
+C(=C1\CCCN=C1c1cccnc1)\c1ccccc1,CHEMBL1164667,6.22
+N#Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165180,5.64
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1163793,6.49
+FC(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1164221,5.97
+CC(=O)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165210,6.24
+CC(=O)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164787,6.04
+OCCN(CCO)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165338,6.72
+COc1ccc2cc(/C=C3\CCCN=C3c3cccnc3)ccc2c1,CHEMBL1165628,6.43
+COc1cc(OC)c(/C=C2\CCCN=C2c2cccnc2)c(OC)c1,CHEMBL1164569,6.74
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)C)c1,CHEMBL1164492,7.15
+CC(=O)Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164132,6.62
+COc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164117,6.24
+COc1cc(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1165557,6.74
+Oc1cccc(/C=C2\CCCN=C2c2cccnc2)c1,CHEMBL1165521,6.82
+CCCCOc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165460,6.04
+CCCc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164685,6.55
+Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164116,6.44
+Oc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1165604,6.7
+COc1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1162395,6.5
+C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCCO2,CHEMBL1165617,6.7
+CC(=O)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1164686,6.77
+C(=C1\CCCN=C1c1cccnc1)\c1cc2ccccc2o1,CHEMBL1165121,6.82
+CSc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165179,6.6
+Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1163383,7.3
+C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCO2,CHEMBL1163448,6.64
+CCN(CC)c1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1,CHEMBL1165544,7.3
+CCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1,CHEMBL1163934,7.3
+CNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165581,7.3
+CN(C)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1,CHEMBL1165368,7.1
+C(=C1\CCCN=C1c1cccnc1)\c1ccc(N2CCOCC2)cc1,CHEMBL1165354,6.52
+BrC1=NOC2CC3CNCC(C3)C12,CHEMBL1163244,4.55
+O=c1c(C(F)(F)F)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL1269417,6.0
+Cc1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1,CHEMBL1269418,5.7
+O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Br)C1,CHEMBL599685,6.95
+O=c1cccc2n1C[C@@H]1C[C@@H]2CN(I)C1,CHEMBL1269456,5.7
+CN1C2CCCC1CC(N1C(=O)Cc3ccccc31)C2,CHEMBL1276200,4.0
+C1=C(c2cccnc2)CC2CCC1CN2Cc1ccccc1,CHEMBL1277968,6.37
+CC1=NO[C@@H]([C@@H]2CCCN2)C1,CHEMBL1630287,4.4
+CC1=NO[C@H]([C@@H]2CCCN2)C1,CHEMBL1630288,6.36
+BrC1=NO[C@@H]([C@@H]2CCCN2)C1,CHEMBL1630290,4.46
+CN1CCC[C@H]1[C@H]1CC(Br)=NO1,CHEMBL1630291,4.37
+COC1=NO[C@H]([C@@H]2CCCN2)C1,CHEMBL1630293,4.95
+COC1=NO[C@@H]([C@@H]2CCCN2C)C1,CHEMBL1630294,5.54
+O=C1CC(c2ccccc2)=NCC2(CN3CCC2CC3)N1,CHEMBL1911852,6.85
+COc1ccccc1C1=NCC2(CN3CCC2CC3)NC(=O)C1,CHEMBL1911853,6.96
+COc1cccc(C2=NCC3(CN4CCC3CC4)NC(=O)C2)c1,CHEMBL1911854,7.06
+COc1ccc(C2=NCC3(CN4CCC3CC4)NC(=O)C2)cc1,CHEMBL1911855,7.38
+O=C1CC(c2ccc(Br)s2)=NCC2(CN3CCC2CC3)N1,CHEMBL1911856,7.11
+O=C1CC(c2cccs2)=NCC2(CN3CCC2CC3)N1,CHEMBL1911857,7.24
+O=C1CC(c2ccco2)=NCC2(CN3CCC2CC3)N1,CHEMBL1911858,6.82
+O=C1C(=C2NCC3(CN4CCC3CC4)N2)Oc2ccccc21,CHEMBL1911861,8.14
+Nc1c(C2=NCC3(CN4CCC3CC4)N2)oc2ccccc12,CHEMBL1911862,6.92
+Oc1ccccc1C1=NCC2(CN3CCC2CC3)N1,CHEMBL1911864,6.54
+C[N+]12CCC(CC1)C1(CC(Br)=NO1)C2,CHEMBL1917549,6.96
+COC1=NOC2(C1)C[N+]1(C)CCC2CC1,CHEMBL1917550,7.04
+C[N+]12CCC(C1)C1(CC(Br)=NO1)C2,CHEMBL1917554,5.21
+COC1=NOC2(C1)C[N+]1(C)CCC2C1,CHEMBL1917555,5.54
+C[N+]12CCC(C1)C1(CC(c3ccccc3)=NO1)C2,CHEMBL1917556,5.29
+C[N+]1(C)CCCC2(CC(Br)=NO2)C1,CHEMBL1917560,5.43
+COC1=NOC2(CCC[N+](C)(C)C2)C1,CHEMBL1917561,4.89
+C[N+]1(C)CCCC2(CC(c3ccccc3)=NO2)C1,CHEMBL1917562,6.15
+Cc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917222,4.19
+CN1CCC[C@H]1[C@@H]1COc2ccc(CO)cc2O1,CHEMBL1917223,4.22
+CN1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1,CHEMBL1917224,4.92
+CC(=O)c1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917226,4.52
+CN1CCC[C@H]1[C@@H]1COc2ccc(Br)cc2O1,CHEMBL1917227,4.66
+CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1,CHEMBL1917228,4.66
+CN1CCC[C@H]1[C@@H]1COc2ccc(-c3ccccc3)cc2O1,CHEMBL1917229,4.44
+CN1CCC[C@H]1[C@H]1COc2ccc(-c3ccccc3)cc2O1,CHEMBL1917230,4.29
+CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1,CHEMBL1917231,6.37
+CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1,CHEMBL1917232,4.7
+CN1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1,CHEMBL1917233,5.35
+CN1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1,CHEMBL1917234,5.89
+Oc1ccc2c(c1)O[C@H]([C@@H]1CCCN1)CO2,CHEMBL1917235,4.48
+Oc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1)CO2,CHEMBL1914487,4.28
+Oc1ccc2c(c1)O[C@@H]([C@H]1CCCN1)CO2,CHEMBL1917236,4.46
+Oc1ccc2c(c1)O[C@H]([C@H]1CCCN1)CO2,CHEMBL1917237,5.52
+COc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917238,4.49
+COc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917239,4.59
+CC(C)Oc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2,CHEMBL1917240,5.21
+CC(C)Oc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2,CHEMBL1917241,4.37
+CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,CHEMBL47298,7.105
+CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCOC)ccc1-2,CHEMBL1950123,5.7
+CCN(CC)CCOc1ccc2c(c1)C(=O)c1ccccc1-2,CHEMBL1950124,5.74
+CCN(CC)CCOc1ccc2c(c1)C(O)c1cc(OCCN(CC)CC)ccc1-2,CHEMBL1950125,6.57
+CCN(CC)CCOc1ccc2c(c1)Cc1cc(OCCN(CC)CC)ccc1-2,CHEMBL1950126,6.11
+CCN(CC)CCOc1ccc2c(c1)S(=O)(=O)c1cc(OCCN(CC)CC)ccc1-2,CHEMBL1949679,6.64
+CCN(CC)CCOc1ccc2c(c1)S(=O)c1cc(OCCN(CC)CC)ccc1-2,CHEMBL1950127,6.16
+CCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc12,CHEMBL1950128,5.8
+CCN(CC)CCOc1ccc2oc3ccc(OCCN(CC)CC)cc3c(=O)c2c1,CHEMBL1950129,6.36
+CCN(CC)CCOc1cccc(C(=O)c2cccc(OCCN(CC)CC)c2)c1,CHEMBL1950132,4.17
+CCN(CC)CCCOc1ccc2c(c1)C(=O)c1cc(OCCCN(CC)CC)ccc1-2,CHEMBL1950133,6.08
+CCN(CC)CCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCN(CC)CC)ccc1-2,CHEMBL547929,5.64
+NCCOc1ccc2c(c1)C(=O)c1cc(OCCN)ccc1-2,CHEMBL1950134,4.82
+CCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCC)ccc1-2,CHEMBL1950135,6.02
+CC[N+](C)(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](C)(CC)CC)ccc1-2,CHEMBL1950136,7.82
+CCN(CC)CCCc1ccc2c(c1)C(=O)c1cc(CCCN(CC)CC)ccc1-2,CHEMBL1950137,5.54
+CCN(CC)CC#Cc1ccc2c(c1)C(=O)c1cc(C#CCN(CC)CC)ccc1-2,CHEMBL1950138,7.06
+CN(C)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C)C)ccc1-2,CHEMBL1950139,7.3
+CC(C)N(CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C(C)C)C(C)C)ccc1-2)C(C)C,CHEMBL1950140,5.89
+O=C1c2cc(OCCN3CCCC3)ccc2-c2ccc(OCCN3CCCC3)cc21,CHEMBL1950141,7.28
+O=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc21,CHEMBL1950142,5.38
+CN1CCC[C@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@@H]3CCCN3C)ccc1-2,CHEMBL1950143,7.92
+CN1CCC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCCN3C)ccc1-2,CHEMBL1950144,8.12
+CN1CC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCN3C)ccc1-2,CHEMBL1950145,8.37
+O=C1c2cc(O[C@@H]3CCNC3)ccc2-c2ccc(O[C@@H]3CCNC3)cc21,CHEMBL1950146,7.15
+CN1CC[C@@H](Oc2ccc3c(c2)C(=O)c2cc(O[C@@H]4CCN(C)C4)ccc2-3)C1,CHEMBL1950147,7.92
+CN1CCC(Oc2ccc3c(c2)C(=O)c2cc(OC4CCN(C)CC4)ccc2-3)CC1,CHEMBL1950148,7.43
+CN1[C@H]2CC[C@@H]1C[C@@H](Oc1ccc3c(c1)C(=O)c1cc(O[C@H]4C[C@@H]5CC[C@H](C4)N5C)ccc1-3)C2,CHEMBL1950149,7.05
+O=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21,CHEMBL1950150,9.24
+O=C1c2cc(O[C@@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21,CHEMBL1950151,8.8
+CN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCN(C)CC4)ccc2-3)CC1,CHEMBL1950152,6.85
+CN1CCCN(c2ccc3c(c2)C(=O)c2cc(N4CCCN(C)CC4)ccc2-3)CC1,CHEMBL1950153,8.19
+CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N5CC6CN(C)CC6C5)ccc3-4)CC2C1,CHEMBL1950154,8.92
+O=C1c2cc(N3CC4CNCC4C3)ccc2-c2ccc(N3CC4CNCC4C3)cc21,CHEMBL1950155,9.51
+CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21,CHEMBL1950156,10.04
+O=C1c2cc(N3C[C@@H]4CN[C@@H]4C3)ccc2-c2ccc(N3C[C@@H]4CN[C@@H]4C3)cc21,CHEMBL1950157,7.74
+O=C1c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21,CHEMBL1950158,8.49
+O=C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21,CHEMBL1950159,7.92
+O=C1c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL1950160,9.55
+CN1CC2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)CC2C1,CHEMBL1950161,7.2
+CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)C[C@H]21,CHEMBL1950162,8.23
+c1ccc2c(c1)Cc1cc(O[C@H]3CN4CCC3CC4)ccc1-2,CHEMBL1950163,6.96
+c1ccc2c(c1)Cc1cc(O[C@@H]3CN4CCC3CC4)ccc1-2,CHEMBL1950164,6.47
+O=S1(=O)c2ccccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21,CHEMBL1950165,8.41
+O=S1(=O)c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21,CHEMBL1950166,7.55
+CN1C[C@H]2CN(c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)C[C@H]21,CHEMBL1950168,7.64
+O=c1c2ccccc2oc2ccc(O[C@H]3CN4CCC3CC4)cc12,CHEMBL1950169,8.06
+O=c1c2ccccc2oc2ccc(O[C@@H]3CN4CCC3CC4)cc12,CHEMBL1950170,8.06
+CN1CC2CN(c3ccc4oc5ccccc5c(=O)c4c3)CC2C1,CHEMBL1950171,8.18
+CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)CC2C1,CHEMBL1950172,9.19
+O=C(CN1CCOCC1)Nc1ccc(-c2cccnc2)cc1,CHEMBL2012935,5.41
+CN1C[C@@H]2CN(c3ccc(-c4ccc5[nH]ccc5c4)nc3)C[C@@H]21,CHEMBL2036415,9.3
+CN1C[C@H]2CN(c3ccc(-c4ccc5[nH]ccc5c4)nc3)C[C@H]21,CHEMBL2036416,9.22
+COc1ccc(-c2cc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)[nH]n2)cc1,CHEMBL2086582,6.18
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,CHEMBL1258006,9.19
+O=C(Nc1ccc(Br)cc1)OC1C2CCN(CC2)C1Cc1cccnc1,CHEMBL2151571,8.0
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)cc1,CHEMBL1258005,7.96
+c1cncc(C2CCC3CCN2CC3)c1,CHEMBL2151442,7.96
+O=C(N[C@@H]1CN2CCC1CC2)c1[nH]nc2ccccc12,CHEMBL2151439,8.0
+COc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12,CHEMBL2151440,7.337000000000001
+Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)s1,CHEMBL2151441,8.7
+c1cc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc2[nH]1,CHEMBL2151570,9.7
+Cc1cc(OC[C@@H]2CCN2)on1,CHEMBL2165444,5.54
+NC(=O)c1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1,CHEMBL2164667,5.73
+O=C(CCCN1CCCCC1)Nc1cc(-c2cncc(F)c2)n[nH]1,CHEMBL2180842,6.41
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)cs1,CHEMBL2179876,7.58
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc2cccnc12,CHEMBL2179860,5.02
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ncccc1Cl,CHEMBL2179855,6.4
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)cc1,CHEMBL2179845,7.02
+O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccc(F)c1,CHEMBL2179838,7.54
+CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1,CHEMBL2323566,4.03
+Cc1ncc(C#CCCCCCl)cc1OC[C@@H]1CCN1,CHEMBL2323572,4.17
+OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL2024096,6.17
+CCC(C)C(=O)N[C@H]1CCN2CCC[C@H]12,CHEMBL2332146,4.4
+CC(C)C(=O)N[C@@H]1CCN2CCCC[C@@H]12,CHEMBL2332153,4.54
+CC(C)C(=O)N[C@H]1CCN2CCCC[C@@H]12,CHEMBL2332152,4.59
+O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN2CCC1CC2,CHEMBL2380804,8.96
+CN1CCC[C@H]1[C@H]1COC(=O)N1,CHEMBL2441761,4.3
+CN1CCC[C@H]1[C@@H]1COC(=O)N1,CHEMBL2441760,4.19
+C[N+]1(C)CCC[C@H]1COC(N)=O,CHEMBL2441759,5.74
+CN1CCC[C@H]1COC(N)=O,CHEMBL2441758,4.11
+C[N+](C)(C)C[C@H]1CNC(=O)O1,CHEMBL2441757,4.33
+C[N+](C)(C)C[C@@H]1CNC(=O)O1,CHEMBL2441756,4.35
+CN(C)C[C@H]1CNC(=O)O1,CHEMBL2441755,4.39
+CN(C)C[C@@H]1CNC(=O)O1,CHEMBL2441754,4.03
+CN1C[C@H](C[N+](C)(C)C)OC1=O,CHEMBL2441753,4.73
+CN1C[C@@H](C[N+](C)(C)C)OC1=O,CHEMBL2441752,4.52
+Nc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1,CHEMBL2441604,8.46
+Oc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1,CHEMBL2441603,7.47
+COc1ccc(CC2C(c3cccnc3)=N[C@@H]3CC[C@H]2C3)c(OC)c1,CHEMBL2441602,5.36
+COc1ccc(CC2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)c(OC)c1,CHEMBL2441601,7.79
+c1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1,CHEMBL96201,4.96
+CN1CC[C@H]1COc1cncc(C#Cc2ccccc2)c1,CHEMBL3086990,5.11
+C(#Cc1cncc(OC[C@H]2CCN2)c1)c1ccccc1,CHEMBL3086989,5.8
+COc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086986,5.82
+Cc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086985,6.23
+CN(C)c1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086984,6.6
+Clc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086983,6.32
+Cc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086982,6.7
+FC(F)(F)c1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086996,5.89
+Fc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086995,5.74
+Fc1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1,CHEMBL3086994,6.14
+Fc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3086993,5.96
+Fc1ccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)cc1,CHEMBL3086992,5.7
+C(#Cc1cncc(OC[C@@H]2CCN2)c1)c1ccccc1,CHEMBL3086991,6.24
+O=c1c(-c2cccnc2)ccc2n1C[C@@H]1CNC[C@H]2C1,CHEMBL3093669,5.96
+CNc1cccc(C(=O)O[C@H]2CN3CCC2CC3)c1,CHEMBL3235497,7.39
+Ic1occc1-c1cnc2c(c1)CC1(CN3CCC1CC3)O2,CHEMBL3235501,9.59
+O=S1(=O)c2cc(F)ccc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235481,8.99
+O=S1(=O)c2ccc(F)cc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235482,8.88
+O=S1(=O)c2ccccc2-c2ccc(N3CCN4CCC3CC4)c(F)c21,CHEMBL3235483,8.74
+O=S1(=O)c2ccccc2-c2c(N3CCN4CCC3CC4)ccc(F)c21,CHEMBL3235484,7.75
+O=[N+]([O-])c1cccc2c1S(=O)(=O)c1cc(N3CCN4CCC3CC4)ccc1-2,CHEMBL3235485,9.47
+O=[N+]([O-])c1ccc2c(c1)-c1ccc(N3CCN4CCC3CC4)cc1S2(=O)=O,CHEMBL3235486,8.47
+O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc(I)c21,CHEMBL3235487,9.03
+O=S1(=O)c2ccc(I)cc2-c2ccc(N3CCN4CCC3CC4)cc21,CHEMBL3235488,8.19
+Fc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1,CHEMBL2380803,7.42
+CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3289071,5.72
+CCCCC#Cc1cncc(OC[C@H]2CCN2)c1,CHEMBL3289072,4.89
+CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1,CHEMBL3289073,4.46
+CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1,CHEMBL3289074,5.04
+OCCCCc1cn(-c2cncc(OC[C@@H]3CCN3)c2)nn1,CHEMBL3289075,4.0
+N#[N+][N-]CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1,CHEMBL3289076,5.57
+c1ncc(-c2nnn3c2CCCC3)cc1OC[C@@H]1CCN1,CHEMBL3289077,4.29
+CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)s1)C2,CHEMBL3289174,7.11
+CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3sccc3c1)C2,CHEMBL3289175,6.97
+CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occc3c1)C2,CHEMBL3289176,6.88
+CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccs3)s1)C2,CHEMBL3289177,7.92
+CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccco3)s1)C2,CHEMBL3289178,7.85
+CCOCC[C@H]1C[C@@H]1c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1,CHEMBL3356152,6.17
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2ccccc2)cc1,CHEMBL3318010,5.64
+O=C(NCCCCN1CCOCC1)c1ccc(-c2cccnc2)cc1,CHEMBL3318011,4.96
+O=C(NCCCCN1CCOCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3318012,5.74
+O=C(CCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1,CHEMBL565963,6.66
+O=C(CCCCN1CCCCC1)Nc1ccc(-c2ccccc2)cc1,CHEMBL3422567,6.72
+CN1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1,CHEMBL568464,5.03
+CN1CCN(CCCCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,CHEMBL3422568,5.79
+CN1C[C@@H]2C[C@H]1CN2CCCCC(=O)Nc1ccc(-c2ccccc2)cc1,CHEMBL3422570,5.49
+O=C(NCCCCN1CCCCC1)c1ccc(-c2cccnc2)cc1,CHEMBL3422573,5.85
+O=C(NCCCCN1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL3422574,6.39
+CN1CCN(CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,CHEMBL3422576,5.27
+CN1C[C@@H]2C[C@H]1CN2CCCCNC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3422578,5.21
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2ccccn2)cc1,CHEMBL3422579,6.48
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2ccncc2)cc1,CHEMBL3422580,6.46
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2F)cc1,CHEMBL3422581,7.07
+O=C(CCCCN1CCOCC1)Nc1ccc(-c2ccc3[nH]ccc3c2)cc1,CHEMBL3422582,6.51
+O=C(CCCCN1CCOCC1)Nc1cc(-c2ccccc2)n[nH]1,CHEMBL3422584,5.59
+O=C(CCCCN1CCCCC1)Nc1cc(-c2ccccc2)n[nH]1,CHEMBL3422585,6.18
+CN1CCN(c2ccc(-c3ccccc3)nn2)CC1,CHEMBL1194009,5.39
+CN1CCN(c2ccc(-c3cccnc3)cc2)CC1,CHEMBL3422594,5.03
+CN1CCN(c2ccc(-c3ccccc3)cc2)CC1,CHEMBL3422595,5.11
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccnc2)cc1,CHEMBL3422596,6.85
+CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)cc1,CHEMBL3422597,7.47
+C[C@@H](Oc1cccc(O)c1)[C@@H]1CCCN1C,CHEMBL3603941,7.24
+C[C@@H](Oc1cccnc1)[C@@H]1CCCN1C,CHEMBL3603947,6.41
+C[C@@H](Oc1ccccc1)[C@@H]1CCCN1C,CHEMBL3603937,4.82
+CC(Oc1ccccc1)C1CCCN1C,CHEMBL3603938,5.05
+COc1ccncc1OC[C@@H]1CCCN1C,CHEMBL3603945,5.03
+COc1ccncc1OC[C@@H]1CCCN1,CHEMBL3603946,4.67
+CN1CCC[C@H]1COc1cccc(O)c1,CHEMBL3603929,6.92
+Oc1cccc(OC[C@@H]2CCCN2)c1,CHEMBL3603930,6.67
+CN1CC[C@H]1COc1cccc(O)c1,CHEMBL3603931,7.54
+Oc1cccc(OC[C@@H]2CCN2)c1,CHEMBL3603932,5.92
+CN1CCC[C@H]1COc1cncc(O)c1,CHEMBL3603933,6.49
+Oc1cncc(OC[C@@H]2CCCN2)c1,CHEMBL3603934,5.46
+COc1ccc(O)cc1OC[C@@H]1CCCN1C,CHEMBL3603939,5.94
+C[C@H](Oc1cccc(O)c1)[C@@H]1CCCN1C,CHEMBL3603942,6.13
+C[C@H](Oc1cccnc1)[C@@H]1CCCN1C,CHEMBL3603948,5.21
+CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1,CHEMBL55606,4.08
+CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612358,4.96
+CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612359,4.89
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612360,4.37
+CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1,CHEMBL3612361,4.19
+Clc1cncc(N2CC3CC(C2)N3)c1,CHEMBL3628495,7.14
+Brc1cncc(N2CC3CC(C2)N3)c1,CHEMBL3628496,6.75
+c1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628497,4.77
+Clc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628498,4.32
+Brc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628500,4.47
+Clc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)c(Cl)c1,CHEMBL3628501,4.89
+Clc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1Cl,CHEMBL3628502,4.44
+Clc1ccc(Cl)c(-c2cncc(N3CC4CC(C3)N4)c2)c1,CHEMBL3628503,5.22
+O=[N+]([O-])c1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628504,5.3
+Cc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628505,4.02
+COc1ccc(-c2cncc(N3CC4CC(C3)N4)c2)cc1,CHEMBL3628506,5.19
+CS(=O)(=O)Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1,CHEMBL3675638,8.7
+O=C(Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1)NC1CCCC1,CHEMBL3675641,7.8
+O=C(Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1)c1cccc(F)c1,CHEMBL3675642,7.57
+COc1ccc(NC(=O)Nc2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc3c2)cc1,CHEMBL3649585,8.68
+O=C(NCCc1ccccc1)Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc2c1,CHEMBL3649586,7.66
+N#Cc1cccc(NC(=O)Nc2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc3c2)c1,CHEMBL3649587,8.1
+O=C(Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc2c1)Nc1c(F)cccc1F,CHEMBL3649588,9.4
+COc1cccc(NC(=O)Nc2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc3c2)c1,CHEMBL3649589,7.82
+O=C(Nc1ccccc1)Nc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc12,CHEMBL3649590,8.37
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3ccc(CO)cc3)cc2o1,CHEMBL3688213,7.22
+O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3ccc(N4CCOCC4)cc3)cc2o1,CHEMBL3688214,7.62
+COc1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc23)c1,CHEMBL3688215,7.77
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(N4CCOCC4)cc3)c2s1,CHEMBL3688216,7.7
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(CO)cc3)c2s1,CHEMBL3688217,8.8
+CNC(=O)NCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc12,CHEMBL3639870,8.48
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(N4CCOCC4=O)cc3)c2o1,CHEMBL3688220,7.85
+CCNC(=O)Nc1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1,CHEMBL3688221,7.77
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3cccc(NC(=O)C4CC4)c3)c2o1,CHEMBL3688222,7.77
+O=C(O)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1,CHEMBL3688223,7.01
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3CO)c2o1,CHEMBL3688224,7.46
+COc1ccc(OC)c(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1,CHEMBL3688225,7.06
+O=C(NC1CC1)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1,CHEMBL3688226,8.52
+CN1CCN(C(=O)c2cccc(-c3cccc4cc(C(=O)N[C@H]5CN6CCC5CC6)oc34)c2)CC1,CHEMBL3688227,7.85
+CNC(=O)NCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12,CHEMBL3688228,8.08
+O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3O)c2o1,CHEMBL3688229,6.92
+O=C(CC1CN2CCC1CC2)Nc1cc2cccc(Br)c2s1,CHEMBL3667530,6.92
+O=C(CC1CN2CCC1CC2)Nc1cc2ccc(Br)cc2s1,CHEMBL3667531,6.7
+O=C(CC1CN2CCC1CC2)Nc1ccc2cccnc2c1,CHEMBL3667532,6.55
+O=C(CC1CN2CCC1CC2)Nc1ccc2ccccc2c1,CHEMBL3667533,7.38
+O=C(CC1CN2CCC1CC2)Nc1ccc2cccc([N+](=O)[O-])c2c1,CHEMBL3667534,6.77
+O=C(c1occc1Br)N1CC2CNCC2C1,CHEMBL2179534,4.92
+COc1cc(C(=O)N2CC3CNCC3C2)on1,CHEMBL3676943,5.46
+O=C(c1ccncc1)N1CC2CNCC(C2)C1,CHEMBL2179524,5.77
+Cc1ccoc1C(=O)N1CC2CNCC2C1,CHEMBL2179539,4.6
+O=C(c1ccco1)N1CC2CNCC(C2)C1,CHEMBL2179967,4.82
+O=C(c1ccc(Br)o1)N1CC2CNCC2C1,CHEMBL2179532,4.92
+O=C(c1cc(-c2ccccc2)co1)N1CC2CNCC2C1,CHEMBL3676948,4.92
+O=C(c1ccoc1)N1CC2CNCC2C1,CHEMBL2179559,5.51
+Cc1nocc1C(=O)N1CC2CNCC2C1,CHEMBL3676951,4.25
+O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,CHEMBL2179529,4.04
+O=C(c1ccco1)N1CC2CNCC2C1,CHEMBL2179966,4.89
+O=C(c1ccc(C#Cc2ccccc2)o1)N1CC2CNCC2C1,CHEMBL3676944,5.49
+Cc1ccc(C(=O)N2CC3CNCC3C2)o1,CHEMBL2179538,4.64
+O=C(c1ccc([N+](=O)[O-])o1)N1CC2CNCC2C1,CHEMBL3676942,5.54
+c1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3745768,8.1
+Fc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747760,7.82
+Fc1cccc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1,CHEMBL3747258,8.0
+Fc1ccccc1-c1cn([C@H]2CN3CCC2CC3)nn1,CHEMBL3746618,7.89
+Fc1ccc(-c2cn([C@@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3745799,6.94
+COc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747531,7.96
+COc1cccc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1,CHEMBL3746146,8.64
+COc1ccccc1-c1cn([C@H]2CN3CCC2CC3)nn1,CHEMBL3745951,6.95
+Clc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3746888,8.1
+Clc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1Cl,CHEMBL3746354,7.72
+Fc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1F,CHEMBL3747581,8.0
+COc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1,CHEMBL3746355,6.71
+c1cc(-c2cn([C@H]3CN4CCC3CC4)nn2)ccn1,CHEMBL3746710,6.85
+c1csc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1,CHEMBL3747596,8.02
+OCc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3746380,8.0
+Fc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cn1,CHEMBL3746362,6.33
+COc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cn1,CHEMBL3746189,6.98
+OCCc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3746342,6.89
+OCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747537,6.67
+COCOCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747289,6.65
+FCCc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3746314,6.64
+FCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747684,6.72
+c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2o1,CHEMBL3747344,8.52
+c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2s1,CHEMBL3745845,7.72
+FCc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1,CHEMBL3747104,7.68
+FC1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2,CHEMBL3746699,6.82
+O=C(N[C@@H]1CN2CCC1CC2)c1cc2ccoc2cn1,CHEMBL3746010,8.9
+c1cncc(C2=NCCCC2)c1,CHEMBL1230982,7.49
+Oc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,CHEMBL3760021,6.22
+OCc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,CHEMBL3758513,5.74
+Oc1cccc(C2=NCCCC2)c1,CHEMBL3758367,5.03
+OCc1cccc(C2=NCCCC2)c1,CHEMBL3759208,6.8
+Cc1cccc(C2=NCCCC2)c1,CHEMBL3758565,6.42
+c1ccc(C2=NCCCC2)cc1,CHEMBL3759403,5.62
+Fc1cccc(C2=NCCCC2)c1,CHEMBL3758648,5.63
+Clc1cccc(C2=NCCCC2)c1,CHEMBL3759731,6.4
+Brc1cccc(C2=NCCCC2)c1,CHEMBL3759225,7.36
+Ic1cccc(C2=NCCCC2)c1,CHEMBL3758455,7.95
+Brc1cc(Br)cc(C2=NCCCC2)c1,CHEMBL3759852,6.46
+Fc1cc(Br)cc(C2=NCCCC2)c1,CHEMBL3759863,6.69
+OCc1cc(F)cc(C2=NCCCC2)c1,CHEMBL3758480,6.09
diff --git a/chembl_200/CHEMBL5071.csv b/chembl_200/CHEMBL5071.csv
new file mode 100644
index 0000000000000000000000000000000000000000..ab175496ada387bda80dfe3db2a956632507dcd8
--- /dev/null
+++ b/chembl_200/CHEMBL5071.csv
@@ -0,0 +1,847 @@
+CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL179036,9.02
+CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL373118,8.72
+O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL194085,9.29
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL180929,6.6
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4cccc(F)c4)ccc31)CCCC2,CHEMBL180590,5.89
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccccc4F)ccc31)CCCC2,CHEMBL361602,6.01
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccccc4)ccc31)CCCC2,CHEMBL367826,5.92
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)O)CCCC2)cc1,CHEMBL361953,5.49
+Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)O)CCCC2)c1,CHEMBL361558,5.38
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4cccs4)ccc31)CCCC2,CHEMBL360718,5.12
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(O)cc4)ccc31)CCCC2,CHEMBL181883,5.13
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc5ccccc5c4)ccc31)CCCC2,CHEMBL361311,5.13
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(Oc5ccccc5)cc4)ccc31)CCCC2,CHEMBL181059,5.12
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)O)CCCC2)cc1,CHEMBL180628,5.68
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc31)CCCC2,CHEMBL181572,5.52
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)ccc31)CCCC2,CHEMBL181353,5.48
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)c(Cl)c4)ccc31)CCCC2,CHEMBL360967,5.77
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4F)ccc31)CCCC2,CHEMBL180328,5.44
+O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)ccc31)CCCC2,CHEMBL180258,5.38
+O=C(O)CCn1c2c(c3cc(NCc4ccccc4)ccc31)CCCC2,CHEMBL180732,4.77
+O=S(=O)(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL362180,5.62
+O=C(O)/C=C\n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL426240,4.72
+O=C(O)CCCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL369335,5.08
+O=C(O)CCCCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL178595,5.34
+CC(C(=O)O)n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL181060,5.36
+CCC(C(=O)O)n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL360147,4.74
+O=C(O)c1ccccc1-n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2,CHEMBL359875,4.48
+O=C(O)c1cccc(-n2c3c(c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc42)CCCC3)c1,CHEMBL180098,4.57
+O=C(O)c1ccc(-n2c3c(c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc42)CCCC3)cc1,CHEMBL180647,5.19
+CC1CCc2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)O)C1,CHEMBL359855,7.89
+O=C(O)Cn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CC(c1ccccc1)CC2,CHEMBL179980,7.3
+CC(C)(C)C1CCc2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)O)C1,CHEMBL369330,6.82
+O=C(O)Cn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCC2,CHEMBL180733,6.7
+O=C(O)CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C2CCCCCC21,CHEMBL361972,7.7
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(F)cc1,CHEMBL370257,7.15
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1,CHEMBL196707,7.17
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL197398,6.6
+Cc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL193753,6.34
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1,CHEMBL196617,6.65
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl,CHEMBL373294,7.72
+COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL364299,6.52
+Cc1nc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)cn1C,CHEMBL194019,5.53
+CCCCS(=O)(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21,CHEMBL194918,6.2
+CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL18797,5.46
+O=C(O)C[C@@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1ccc(F)cc12,CHEMBL370606,9.1
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL199040,7.54
+CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3,CHEMBL426559,6.13
+O=C(O)COc1ccc(Cl)cc1C1CCCCC1,CHEMBL245908,6.81
+COC(=O)COc1ccc(Cl)cc1C1CCCCC1,CHEMBL247131,5.48
+C=CCc1cc(Cl)ccc1OCC(=O)O,CHEMBL245707,5.29
+CC1(c2cc(Cl)ccc2OCC(=O)O)CCCCC1,CHEMBL395134,7.05
+O=C(O)COc1ccc(Cl)cc1C1CCCCCC1,CHEMBL398126,7.23
+O=C(O)COc1ccc(Cl)cc1C1CCCC1,CHEMBL397842,6.82
+O=C(O)COc1ccc(-c2ccc(F)cc2)cc1C1CCCCC1,CHEMBL429470,7.0
+COc1ccc(OCC(=O)O)c(C2CCCCC2)c1,CHEMBL245701,6.11
+Cc1ccc(OCC(=O)O)c(C2CCCCC2)c1,CHEMBL397651,6.45
+N#Cc1ccc(OCC(=O)O)c(C2CCCCC2)c1,CHEMBL245700,6.64
+O=C(O)COc1ccc(C(F)(F)F)cc1C1CCCCC1,CHEMBL397650,7.7
+O=C(O)COc1ccc(F)cc1C1CCCCC1,CHEMBL246312,6.35
+O=C(O)COc1ccc(Br)cc1C1CCCCC1,CHEMBL246311,7.08
+O=C(O)COc1ccccc1C1CCCCC1,CHEMBL247739,6.51
+C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O,CHEMBL247738,5.65
+C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O,CHEMBL394497,7.12
+O=C(O)CCCOc1ccc(Cl)cc1C1CCCCC1,CHEMBL394496,5.7
+O=C(O)CCOc1ccc(Cl)cc1C1CCCCC1,CHEMBL247544,6.1
+O=C(O)Cn1cc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc21,CHEMBL398303,9.2
+CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O,CHEMBL412070,4.72
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL410333,6.71
+O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21,CHEMBL409714,7.89
+O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL260672,8.28
+O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL261547,6.52
+COc1cccc(CN2C(=O)C[C@@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1,CHEMBL259298,5.93
+COc1cccc(CN2C(=O)C[C@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1,CHEMBL259520,7.14
+O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc21,CHEMBL259519,6.06
+O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc21,CHEMBL411315,7.64
+O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL261730,6.03
+O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL260674,7.64
+O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL260726,5.69
+O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL260727,7.09
+Cc1onc(-c2ccccc2)c1CN1CCC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL411521,5.655
+Cc1noc(-c2ccccc2)c1CN1CC2(CC1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL259940,8.42
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21,CHEMBL409524,7.49
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2)c2cc(Cl)ccc21,CHEMBL258751,6.15
+COc1c(C)cnc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1C,CHEMBL411308,7.92
+Cc1noc(-c2ccccc2)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL411513,8.28
+Cc1onc(-c2ccccc2)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL262887,8.12
+Cc1noc(C)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL409096,7.29
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc21,CHEMBL263144,6.22
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccoc3)C2=O)c2cc(Cl)ccc21,CHEMBL438208,6.5
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3nnc(C4CC4)s3)C2=O)c2cc(Cl)ccc21,CHEMBL260026,6.3
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ncco3)C2=O)c2cc(Cl)ccc21,CHEMBL411535,6.36
+CC(C)(C)c1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)no1,CHEMBL263408,5.87
+COc1ccc(-c2nc(CN3C(=O)CC4(C3=O)C(=O)N(CC(=O)O)c3ccc(Cl)cc34)no2)cc1,CHEMBL261624,6.67
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3csc(-c4ccc(Cl)cc4)n3)C2=O)c2cc(Cl)ccc21,CHEMBL263662,7.26
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3csc(-c4cccc(Cl)c4)n3)C2=O)c2cc(Cl)ccc21,CHEMBL411953,7.62
+Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1,CHEMBL260215,7.42
+Cn1nnc2cc(CN3C(=O)CC4(C3=O)C(=O)N(CC(=O)O)c3ccc(Cl)cc34)ccc21,CHEMBL259521,5.89
+COc1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cc1F,CHEMBL261764,6.81
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(Cl)c3)C2=O)c2cc(Cl)ccc21,CHEMBL259454,7.7
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)cc(Cl)c3)C2=O)c2cc(Cl)ccc21,CHEMBL261675,7.44
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL258965,8.0
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3Cl)C2=O)c2cc(Cl)ccc21,CHEMBL263145,7.37
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c2cc(Cl)ccc21,CHEMBL260241,7.05
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc21,CHEMBL261847,7.43
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL258477,7.68
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc21,CHEMBL411429,7.6
+CS(=O)(=O)c1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cc1,CHEMBL409632,5.82
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccc(Oc4ccccc4)cc3)C2=O)c2cc(Cl)ccc21,CHEMBL411430,6.84
+COc1cccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1,CHEMBL261124,6.77
+COc1ccccc1CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL260927,6.63
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21,CHEMBL412152,6.94
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc21,CHEMBL259069,7.17
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Cl)ccc21,CHEMBL258856,7.02
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL259070,7.43
+CC(c1ccccc1)N1C(=O)CC2(C(=O)N(CC(=O)O)c3ccc(Cl)cc32)C1=O,CHEMBL410423,6.45
+O=C(O)CN1C(=O)C2(CC(=O)N(C/C=C/c3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL409310,6.13
+O=C(O)CN1C(=O)C2(CC(=O)N(CCc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL261316,6.57
+O=C1CC2(C(=O)N1Cc1ccccc1)C(=O)N(Cc1nn[nH]n1)c1ccc(Cl)cc12,CHEMBL260272,5.81
+O=C(O)CCCN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21,CHEMBL259285,6.12
+COc1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CCCC(=O)O)c2ccc(Cl)cc23)cc1,CHEMBL411856,6.02
+O=C(O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL259286,5.75
+O=C(O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc21,CHEMBL264142,5.38
+C=CCN1C(=O)CC2(C1=O)C(=O)N(CCCC(=O)O)c1ccc(F)cc12,CHEMBL262100,5.38
+CN1C(=O)CC2(C1=O)C(=O)N(CCCC(=O)O)c1ccc(F)cc12,CHEMBL409332,5.05
+O=C(O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL264143,5.78
+COCCN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL428261,5.84
+CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL261435,5.12
+CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21,CHEMBL261467,4.93
+C=CCN1C(=O)CC2(C1=O)C(=O)N(CCCC(=O)O)c1ccc(Cl)cc12,CHEMBL261468,6.11
+COCCOCN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(F)cc12,CHEMBL261763,5.42
+CN(C)C(=O)CN1C(=O)CC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL409742,5.33
+COc1ccc2c(c1)C1(CC(=O)N(Cc3ccccc3)C1=O)C(=O)N2CC(=O)O,CHEMBL264403,5.56
+O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc21,CHEMBL261689,6.15
+CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O,CHEMBL484778,6.63
+CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O,CHEMBL483991,5.32
+Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O,CHEMBL560993,7.89
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL561132,8.6
+CN([C@@H]1CCc2c(CC(=O)O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL557117,5.14
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL561539,6.99
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1cccc(Cl)c1,CHEMBL564002,6.42
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccccc1Cl,CHEMBL562593,5.49
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccccc1,CHEMBL549587,6.55
+COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)cc1,CHEMBL565106,5.58
+Cc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)cc1,CHEMBL561942,6.21
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CHEMBL560279,7.28
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,CHEMBL549793,5.93
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL557457,7.32
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1,CHEMBL551274,6.8
+COc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1F,CHEMBL562339,7.25
+CCOc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1C#N,CHEMBL557662,7.37
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1,CHEMBL563949,7.51
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(C#N)c1,CHEMBL559316,7.46
+Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(C#N)c1,CHEMBL559044,7.44
+CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1,CHEMBL589973,9.0
+Cc1noc(C)c1CN1C(C)(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1085069,7.42
+Cc1noc(C)c1CN1C(c2c(C)n(CC(=O)O)c3ccccc23)CCS1(=O)=O,CHEMBL1082610,7.64
+O=C(O)Cn1cc(C2NS(=O)(=O)c3ccccc32)c2ccccc21,CHEMBL1083733,5.04
+Cc1ccc2c(c1)c(C1NS(=O)(=O)c3ccccc31)cn2CC(=O)O,CHEMBL1083734,5.54
+O=C(O)Cn1cc(C2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc21,CHEMBL1083735,5.54
+N#Cc1ccc2c(c1)c(C1NS(=O)(=O)c3ccccc31)cn2CC(=O)O,CHEMBL1086518,5.7
+Cc1c(C2NS(=O)(=O)c3ccccc32)c2ccccc2n1CC(=O)O,CHEMBL1086519,5.55
+Cc1ccc2c(c1)c(C1NS(=O)(=O)c3ccccc31)c(C)n2CC(=O)O,CHEMBL1082848,5.82
+Cc1c(C2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)O,CHEMBL1083158,6.16
+Cc1c(C2NS(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)O,CHEMBL1086341,6.37
+CN1C(c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1086342,5.09
+CC(C)CCN1C(c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1086560,5.64
+O=C(O)Cn1cc(C2c3ccccc3S(=O)(=O)N2Cc2ccccc2)c2ccccc21,CHEMBL1086343,5.96
+O=C(O)Cn1cc(C2c3ccccc3S(=O)(=O)N2CCc2ccccc2)c2ccccc21,CHEMBL1085639,6.2
+Cc1noc(C)c1CN1C(c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1082939,7.74
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCC(C)C)c2ccccc2n1CC(=O)O,CHEMBL1085640,6.25
+Cc1c(C2c3ccccc3S(=O)(=O)N2C(C)C)c2ccccc2n1CC(=O)O,CHEMBL1085644,6.04
+Cc1c(C2c3ccccc3S(=O)(=O)N2c2ccccc2)c2ccccc2n1CC(=O)O,CHEMBL1085645,6.32
+Cc1noc(C)c1CN1C(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1084893,7.735
+Cc1noc(-c2ccccc2)c1CN1C(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O,CHEMBL1084894,7.89
+Cc1noc(C)c1CN1C(c2c(C)n(CC(=O)O)c3ccc(Cl)cc23)c2ccccc2S1(=O)=O,CHEMBL1084901,8.1
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCc2ccccc2)c2ccccc2n1CC(=O)O,CHEMBL1084902,6.66
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O,CHEMBL1084903,7.54
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O,CHEMBL1083446,7.46
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCCOc2ccccc2)c2ccccc2n1CC(=O)O,CHEMBL1083752,5.85
+Cc1c(C2c3ccccc3S(=O)(=O)N2CCO)c2ccccc2n1CC(=O)O,CHEMBL1086537,5.85
+CN([C@@H]1CCc2c(CC(=O)O)c3cnccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1641806,5.17
+CN([C@@H]1CCc2c(CC(=O)O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1641807,6.86
+CN([C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1641808,8.48
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)nc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1641809,8.74
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(-c4ccc(F)cc4)nc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1641810,8.72
+C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1)c1ccc(F)cc1,CHEMBL1641811,8.47
+C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1)c1ccc(F)cc1,CHEMBL1641812,7.68
+CN(C(=O)C(C)(C)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641813,8.33
+CN(C(=O)C1(c2ccc(F)cc2)CC1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641814,8.44
+CN(C(=O)C1(c2ccc(F)cc2)CC1(C)C)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641815,8.29
+CN(C(=O)C1(c2ccc(F)cc2)CCC1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641816,8.47
+CN(C(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641817,8.41
+CN(C(=O)C1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1,CHEMBL1641818,7.94
+O=C(O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL298483,8.26
+CN([C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643769,6.84
+CN([C@@H]1CCc2c(CC(=O)O)c3c(F)cccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643770,7.96
+CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643771,8.34
+CN([C@@H]1CCc2c(CC(=O)O)c3cc(S(C)(=O)=O)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643772,5.97
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643773,8.96
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643774,8.96
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(C(F)(F)F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643775,8.77
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(C#N)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643776,8.06
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(S(C)(=O)=O)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643777,7.89
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(-c4ccccc4)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643778,8.62
+CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643779,8.6
+CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643780,9.0
+CN([C@@H]1CCc2c(CC(=O)O)c3c(Cl)cc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643781,7.59
+CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643782,8.43
+CN([C@@H]1CCc2c(CC(=O)O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643783,8.8
+CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)cc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643784,8.4
+O=C(O)Cc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL1643785,8.01
+CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643786,8.74
+CCCCCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,CHEMBL1643787,8.8
+O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC1CC1)S(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL1643788,8.31
+O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL1643789,8.85
+O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)CC2,CHEMBL1643790,8.43
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F,CHEMBL1643791,7.77
+Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1643792,8.12
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1cccc(F)c1,CHEMBL1643793,7.68
+Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)c1,CHEMBL1643794,8.06
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1,CHEMBL1643795,8.37
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)cc1,CHEMBL1643796,8.26
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,CHEMBL1643797,7.39
+COc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1,CHEMBL1643798,8.36
+CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1,CHEMBL1643799,7.7
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)Cc1ccc(F)cc1,CHEMBL1643800,7.7
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1,CHEMBL1643801,8.2
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1cnn(C)c1,CHEMBL1643802,6.91
+Cc1noc(C)c1S(=O)(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1643803,6.53
+CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccccn1,CHEMBL1643804,6.93
+C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)c1ccc(F)cc1,CHEMBL1778387,8.4
+CN(C(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778388,8.77
+CN(C(=O)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778389,6.47
+CN(C(=O)c1cccc2ccccc12)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778390,6.92
+CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778504,6.43
+CN(C(=O)Cc1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778505,7.82
+CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778506,8.13
+CN(C(=O)C1CCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778507,6.17
+CN(C(=O)C1CCCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778508,6.96
+CN(C(=O)C1Cc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778509,5.77
+CN(C(=O)C1CCCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778510,6.62
+CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778511,6.74
+CN(C(=O)Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778512,6.85
+CN(C(=O)Cc1ccc(F)cc1F)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778513,7.15
+CN(C(=O)Cc1ccc(F)c(Cl)c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778514,7.66
+CN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778515,6.9
+CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778516,7.72
+CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778517,7.51
+COc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1,CHEMBL1778518,7.85
+CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778519,6.39
+CN(C)c1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1,CHEMBL1778520,5.91
+C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)c1ccc(F)cc1,CHEMBL1778521,7.41
+CN(C(=O)C(C)(C)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778522,8.52
+CN(C(=O)C1(c2ccc(F)cc2)CC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778523,8.7
+CN(C(=O)C1(c2ccc(F)cc2)CCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778524,8.74
+CN(C(=O)C1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1,CHEMBL1778525,8.37
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccccc1,CHEMBL1917388,6.97
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccccc1Cl,CHEMBL1917387,7.55
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1,CHEMBL1917389,7.54
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1,CHEMBL1917390,7.22
+COc1ccccc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917391,6.72
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccccc1F,CHEMBL1917392,7.33
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccccc1C(F)(F)F,CHEMBL1917393,7.62
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccc(C(F)(F)F)c1,CHEMBL1917394,7.04
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc(F)cc1F,CHEMBL1917395,7.0
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc(Cl)s1,CHEMBL1917396,6.74
+Cn1ccnc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917397,5.83
+O=C(O)COc1ccc(Cl)cc1C#Cc1cc(CO)ccc1F,CHEMBL1917398,7.14
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc(CO)cc1F,CHEMBL1917399,7.55
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccc(CO)c1F,CHEMBL1917400,7.39
+COCc1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917401,7.14
+COCc1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c(F)c1,CHEMBL1917402,7.66
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccccn1,CHEMBL1917403,5.95
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccnc1,CHEMBL1917404,6.93
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccncc1,CHEMBL1917405,6.22
+Cc1ncccc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917406,6.84
+Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917407,7.6
+CCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917408,8.37
+CC(C)Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917409,8.31
+CCCCCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917410,7.37
+Cc1cc[n+]([O-])cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917411,7.77
+CS(=O)(=O)c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917412,7.82
+CCCS(=O)(=O)c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917575,8.05
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)CCCO)c1,CHEMBL1917576,7.55
+O=C(O)COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)CCO)c1,CHEMBL1917577,8.0
+Cc1ccc(S(C)(=O)=O)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917578,8.3
+CS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917579,8.48
+CS(=O)(=O)c1ccc(Cl)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917580,8.46
+CCCc1ccc(S(C)(=O)=O)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917581,8.07
+CC(C)c1ccc(S(C)(=O)=O)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917582,8.34
+CCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917583,8.07
+CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917584,8.7
+Cc1ccc(S(=O)(=O)C(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917585,8.22
+Cc1ccc(S(=O)(=O)CC(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917586,8.52
+Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917587,8.3
+Cc1ccc(S(=O)(=O)CCc2ccccc2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917588,8.15
+Cc1ccc(S(=O)(=O)c2ccccc2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917589,8.22
+Cc1ccc(S(=O)(=O)CCO)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917590,7.72
+Cc1ccc(S(=O)(=O)CCCO)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917591,8.1
+CCCS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917592,8.47
+CC(C)S(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917593,8.4
+CCCS(=O)(=O)c1ccc(Cl)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917594,8.68
+CC(C)S(=O)(=O)c1ccc(Cl)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917595,8.54
+CN(C)S(=O)(=O)c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917596,7.85
+Cc1ccc(S(=O)(=O)N(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917597,8.3
+CN(C)S(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917598,8.51
+CCN(CC)S(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917599,8.47
+Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917600,8.3
+CNS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917601,8.0
+CCNS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917602,8.36
+Cc1ccc(S(=O)(=O)NC(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917603,8.47
+Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917604,8.42
+Cc1ccc(S(=O)(=O)N(C)CC(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917605,8.38
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917606,8.3
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917607,8.44
+Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917608,8.72
+COCCN(C)S(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917609,8.39
+COCCNS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917610,8.44
+Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917611,7.68
+Cc1ccc(S(=O)(=O)N(C)CCCN(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917612,6.54
+Cc1ccc(S(=O)(=O)N(C)CCN(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917613,6.43
+CS(=O)(=O)c1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)cc1,CHEMBL1917614,7.07
+CN(C)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)cc1,CHEMBL1917615,7.26
+CN(C)C(=O)c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917616,7.28
+CS(=O)(=O)Cc1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917617,7.32
+CS(=O)c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917618,8.49
+CS(=O)(=O)Nc1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917619,7.27
+CN(c1cccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1)S(C)(=O)=O,CHEMBL1917620,6.91
+CS(=O)(=O)c1cncc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917621,7.22
+CN(C)S(=O)(=O)c1cncc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917622,7.43
+CS(=O)(=O)Nc1cncc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1,CHEMBL1917623,7.72
+CN(c1cncc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1)S(C)(=O)=O,CHEMBL1917624,6.42
+O=C(O)COc1ccc(Cl)cc1C#Cc1cncc(S(=O)(=O)NCCO)c1,CHEMBL1917625,6.52
+O=C(O)COc1ccc(Cl)cc1C#Cc1cncc(S(=O)(=O)N2CCOCC2)c1,CHEMBL1917626,7.39
+Cc1ncc(S(=O)(=O)N(C)C)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,CHEMBL1917627,7.39
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1-2,CHEMBL1917628,7.92
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc2c(c1)S(=O)(=O)C=C2,CHEMBL1917629,7.6
+O=C(O)COc1ccc(Cl)cc1C#Cc1ccc2c(c1)S(=O)(=O)CC2,CHEMBL1917630,7.64
+CC(C)(C)N1C(=O)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S1(=O)=O,CHEMBL1917631,7.85
+CC1(C)C(=O)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S1(=O)=O,CHEMBL1914491,7.51
+CC1(C)C(O)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S1(=O)=O,CHEMBL1917632,7.48
+CC1(O)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C,CHEMBL1917633,7.55
+COC1c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C,CHEMBL1917634,7.68
+COC1(C)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C,CHEMBL1917635,7.6
+CS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1-c1ccccc1,CHEMBL1917636,8.3
+COc1ccc(-c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(C)(=O)=O)cc1,CHEMBL1917637,8.15
+COc1cccc(-c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(C)(=O)=O)c1,CHEMBL1917638,8.1
+CS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1-c1ccc(C(F)(F)F)cc1,CHEMBL1917778,7.37
+CS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1-c1ccc(Cl)cc1,CHEMBL1917779,7.85
+CS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1-c1cccc(Cl)c1,CHEMBL1917780,7.8
+CS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1-c1ccccc1Cl,CHEMBL1917781,8.46
+CCCS(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)c(C)cc1NC(C)=O,CHEMBL1917782,8.89
+CC(C)S(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1C(=O)N(C)C,CHEMBL1917783,7.19
+CCN(CC)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)cc1S(=O)(=O)C(C)C,CHEMBL1917784,7.34
+CC(C)S(=O)(=O)c1cc(C#Cc2cc(Cl)ccc2OCC(=O)O)ccc1C(=O)N1CCOCC1,CHEMBL1917785,7.06
+O=C(O)COc1ccccc1C#Cc1ccccc1Cl,CHEMBL1917786,6.13
+Cc1ccc(OCC(=O)O)c(C#Cc2ccccc2Cl)c1,CHEMBL1917787,6.55
+CCCS(=O)(=O)c1cccc(C#Cc2cc(F)ccc2OCC(=O)O)c1,CHEMBL1917788,7.19
+O=C(O)COc1cc(F)ccc1C#Cc1ccccc1Cl,CHEMBL1917789,5.32
+CCCS(=O)(=O)c1cccc(C#Cc2c(Cl)cccc2OCC(=O)O)c1,CHEMBL1917790,7.26
+CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)ccc3ccccc23)c1,CHEMBL1917791,7.36
+O=C(O)COc1ccc(C(F)(F)F)cc1C#Cc1ccccc1Cl,CHEMBL1917792,7.92
+CCCS(=O)(=O)c1cccc(C#Cc2cc(C(F)(F)F)ccc2OCC(=O)O)c1,CHEMBL1917793,8.0
+N#Cc1ccc(OCC(=O)O)c(C#Cc2ccccc2Cl)c1,CHEMBL1917794,7.62
+CCCS(=O)(=O)c1cccc(C#Cc2cc(C#N)ccc2OCC(=O)O)c1,CHEMBL1917795,7.68
+CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(C#N)ccc2OCC(=O)O)c1,CHEMBL1917796,8.15
+CC(C)c1ccc(S(C)(=O)=O)cc1C#Cc1cc(C#N)ccc1OCC(=O)O,CHEMBL1917797,7.92
+CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2ccccc2)c1,CHEMBL1917798,7.72
+CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2sc(C)nc2C)c1,CHEMBL1917799,7.27
+CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2ccsc2)c1,CHEMBL1917800,7.74
+CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2cccs2)c1,CHEMBL1917801,7.92
+CCCS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OC(C)C(=O)O)c1,CHEMBL1917802,8.52
+CCCS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OC(C)(C)C(=O)O)c1,CHEMBL1917803,6.59
+CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OC(C)C(=O)O)c1,CHEMBL1917804,8.92
+CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OC(CC)C(=O)O)c1,CHEMBL1917805,7.52
+CCCC(Oc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)CCC)ccc1C)C(=O)O,CHEMBL1917806,7.24
+CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OC(CC(C)C)C(=O)O)c1,CHEMBL1917807,6.29
+CCN(Cc1cc(-c2ccc(OC)cn2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1,CHEMBL1917810,8.3
+Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)nccc2n1CC(=O)O,CHEMBL1917462,7.24
+CCc1nn(Cc2cccc(Br)c2)c(CC)c1CC(=O)O,CHEMBL2030115,6.25
+O=C(O)COc1ccccc1COc1ccc(F)cc1C1CC1,CHEMBL2030124,6.23
+Cc1ccc(Cl)cc1OCc1ccccc1OCC(=O)O,CHEMBL2030123,6.28
+Cc1ccc2cccc(OCc3ccccc3OCC(=O)O)c2n1,CHEMBL2030122,6.31
+CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(=O)O,CHEMBL2030121,6.48
+O=C(O)COc1ccccc1COc1ccc(Cl)cc1-c1ccno1,CHEMBL2030120,6.61
+O=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2,CHEMBL2030119,6.12
+CCc1nn(CC(=O)O)c(CC)c1Cc1ccc2ccccc2c1,CHEMBL2030118,6.2
+CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(=O)O,CHEMBL2030117,6.21
+CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(=O)O,CHEMBL2030116,6.24
+C#Cc1cccc(CN(C(C)=O)c2cc(-c3nn[nH]n3)ccc2F)c1,CHEMBL2036014,6.85
+C#Cc1cccc(CN(C(=O)CCCC)c2cc(-c3nn[nH]n3)ccc2F)c1,CHEMBL2036015,8.0
+CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036016,8.48
+CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036017,7.3
+CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036018,7.41
+CCCCC(=O)N(Cc1ccc2cnccc2c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036019,6.48
+CCCCC(=O)N(Cc1cccs1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036020,6.21
+CCC(=O)N(Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036021,5.74
+CCC(=O)N(Cc1cccc(OC)c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036022,6.44
+CCC(=O)N(Cc1ccc(OC)cc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036023,6.66
+CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036024,7.36
+CCCCC(=O)N(Cc1cccc(OC)c1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036025,8.52
+CCC(=O)N(Cc1cccc(OC)c1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036026,8.09
+CCC(=O)N(Cc1ccc(OC)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036027,8.12
+CCCCC(=O)N(Cc1ccc(OC)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036028,8.52
+CCCCC(=O)N(Cc1ccc(OC)cc1)c1cc(Cl)cc(-c2nn[nH]n2)c1,CHEMBL2036029,8.44
+CCC(=O)N(Cc1cccc(OC(C)C)c1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036030,8.19
+CCC(=O)N(Cc1ccccc1F)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036031,6.02
+CCC(=O)N(Cc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036032,5.85
+CCC(=O)N(Cc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036033,5.92
+CCC(=O)N(Cc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036034,6.24
+CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036035,7.74
+CCCCC(=O)N(Cc1cc2ccccc2o1)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036036,8.15
+CCC(=O)N(Cc1ccc2ccccc2n1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036200,7.25
+CCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036201,7.38
+CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036202,7.92
+CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036203,8.15
+CCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036204,7.96
+CC(C)CC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036205,8.25
+CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nn[nH]n2)ccc1F,CHEMBL2036206,8.31
+CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036207,8.7
+CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nn[nH]n2)c(F)cc1F,CHEMBL2036198,7.35
+CCC(=O)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036199,6.89
+CCC(=O)N(Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036208,6.66
+CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036209,6.96
+CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036210,8.24
+CCCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036211,8.62
+CCCCC(=O)N(Cc1cccc(OC(F)(F)F)c1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036212,8.35
+CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036213,8.16
+CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036214,8.11
+CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(-c2nn[nH]n2)c1,CHEMBL2036215,7.72
+CCC(=O)N(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036216,8.28
+CCC(=O)N(Cc1cccc(O)c1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036217,7.59
+CCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036218,7.66
+CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1,CHEMBL2036219,7.16
+CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036220,8.51
+CC(C)C(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036221,7.77
+CC(C)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1,CHEMBL2036222,8.49
+CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036223,8.27
+CS(=O)(=O)c1ccc(CN(C(=O)c2ccccc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036224,8.66
+CS(=O)(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036225,9.05
+Cc1ccc(CCC(=O)N(Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036226,8.6
+CS(=O)(=O)c1ccc(CN(C(=O)C2CCOCC2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036227,7.55
+CS(=O)(=O)c1ccc(CN(C(=O)c2cccnc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036228,8.4
+CS(=O)(=O)c1ccc(CN(C(=O)c2ccncc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,CHEMBL2036229,7.77
+CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(CC(=O)O)c1,CHEMBL2036230,5.37
+CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(C(=O)O)c1,CHEMBL2036231,5.1
+O=C(O)CN1C(=O)C2(NC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL2042235,6.41
+O=C(O)CN1C(=O)C2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL2042236,7.55
+Cc1onc(-c2ccccc2)c1CN1C(=O)NC2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042237,8.15
+O=C(O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21,CHEMBL2042238,7.82
+CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042239,7.46
+CCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042240,6.59
+CCCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042241,6.96
+CC(C)c1nc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1,CHEMBL2042242,6.31
+CN1C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)C12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042243,7.02
+Cc1onc(-c2ccccc2)c1CN1C(=O)N(C)C2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042244,6.96
+CN1C(=O)N(Cc2csc(-c3ccccc3)n2)C(=O)C12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042378,7.8
+CN1C(=O)N(Cc2nc3ccccc3s2)C(=O)C12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042379,6.12
+COc1c(C)cnc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1C,CHEMBL2042380,6.55
+CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)C12C(=O)N(CC(=O)O)c1ccc(Cl)cc12,CHEMBL2042381,6.41
+CCc1nc2c(F)ccc(OCC(=O)O)c2c(OC(F)F)c1Cc1ccc(-n2cccn2)cc1,CHEMBL2181746,8.27
+Cc1cc(CC(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1,CHEMBL2181749,7.49
+Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(S(C)(=O)=O)cc1F,CHEMBL2181803,9.7
+Cc1c(Sc2ccc(Cl)cc2)c2ncccc2n1CC(=O)O,CHEMBL2181744,6.84
+Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2n1CC(=O)O,CHEMBL2181804,8.15
+Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1ccc2ccccc2c1,CHEMBL2181806,8.05
+Cc1c(Cc2ccc3ccccc3c2)c2cc(F)ccc2n1CC(=O)O,CHEMBL2181807,7.82
+Cc1c(Cc2nc3ccccc3s2)c2cc(F)ccc2n1CC(=O)O,CHEMBL2181805,8.22
+Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1nc2ccccc2s1,CHEMBL2181808,7.36
+CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1,CHEMBL2181754,7.87
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1,CHEMBL2181745,6.42
+CCc1nn(Cc2ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(CC)c1CC(=O)O,CHEMBL2181750,8.32
+Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ncc2n1CC(=O)O,CHEMBL2181743,6.97
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1,CHEMBL2442750,7.44
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([N+](=O)[O-])cc1,CHEMBL2442751,6.83
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)=O)cc1,CHEMBL2442748,6.6
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(Cl)cc1,CHEMBL2442736,6.83
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(=O)(=O)C(F)(F)F)cc1,CHEMBL2442752,6.68
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C#N)cc1,CHEMBL2442749,6.42
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccn1,CHEMBL2442747,5.53
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccncc1,CHEMBL2442746,5.65
+Cc1c(CC(=O)O)c2cccnc2n1Cc1cccnc1,CHEMBL2442745,5.97
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(F)c(F)c1,CHEMBL2442744,6.56
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(Cl)c(Cl)c1,CHEMBL2442743,6.96
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C(F)(F)F)cc1,CHEMBL2442742,6.84
+Cc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1,CHEMBL2442741,6.52
+COc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1,CHEMBL2442740,6.3
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccc1,CHEMBL2442739,6.23
+Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccc1Cl,CHEMBL2442738,6.2
+Cc1c(CC(=O)O)c2cccnc2n1Cc1cccc(Cl)c1,CHEMBL2442737,6.57
+C[C@@]1(c2nc3ccccc3o2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125160,8.72
+O=C(O)CCCCc1nc2cc(-c3cc(-c4ccccc4)on3)ccc2c(=O)n1-c1ccc(F)cc1,CHEMBL3125322,8.59
+CC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125326,8.33
+CCC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125327,8.74
+CCCC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125328,8.74
+CCCCC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125329,8.8
+O=C(O)CCCCc1nc2cc(C3=NOC(CO)(c4ccccc4)C3)ccc2c(=O)n1-c1ccc(F)cc1,CHEMBL3125330,8.6
+COCC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125331,8.72
+O=C(O)CCCCc1nc2cc(C3=NOC(c4ccccc4)(c4ccccc4)C3)ccc2c(=O)n1-c1ccc(F)cc1,CHEMBL3125332,7.86
+O=C(O)CCCCc1nc2cc(C3=NOC4(C3)Cc3ccccc3C4)ccc2c(=O)n1-c1ccc(F)cc1,CHEMBL3125333,8.96
+C[C@@]1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125334,8.43
+C[C@@]1(c2ccc(F)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125335,8.39
+C[C@@]1(c2cc(F)cc(F)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125336,8.47
+C[C@@]1(c2ccc(Cl)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125337,8.59
+C[C@@]1(c2cccc(C#N)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125338,8.52
+C[C@]1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125339,7.6
+C[C@]1(c2ccc(F)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125340,8.22
+C[C@]1(c2cc(F)cc(F)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125341,7.98
+C[C@]1(c2ccc(Cl)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125342,8.7
+C[C@]1(c2cccc(C#N)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125343,7.65
+C[C@@]1(Cc2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,CHEMBL3125157,8.12
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+CCc1nn(C(C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O,CHEMBL3686053,10.0
+CCc1nn(C(C)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O,CHEMBL3686054,8.37
+Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c(C)c1CC(=O)O,CHEMBL3686055,8.8
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+CCc1nn(Cc2ccc(S(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O,CHEMBL3686058,7.91
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+CCc1nc2ccccc2n1Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1,CHEMBL3694727,6.35
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccc1,CHEMBL3694728,5.8
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+O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc3c(c2)CCCC3)cc1)c1ccccc1Cl,CHEMBL3694731,5.59
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+COc1cccc(COCc2ccc(-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)c1,CHEMBL3694734,5.85
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc(OC(F)(F)F)cc1,CHEMBL3694735,5.29
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1,CHEMBL3694736,5.07
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+Cc1ccc(S(=O)(=O)Nc2nccnc2-c2ccc(CN(C)c3ccc(OC(F)(F)F)cc3)cc2)cc1,CHEMBL3694738,5.23
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1,CHEMBL3694739,5.27
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(C#N)cc2)cc1)c1ccc(OC(F)(F)F)cc1,CHEMBL3694740,5.24
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccccc1,CHEMBL3694741,6.4
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(C#N)cc1,CHEMBL3694742,6.33
+O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F,CHEMBL3694743,6.32
+CCN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccccc1,CHEMBL3694744,6.23
+O=S(=O)(Nc1nccnc1-c1ccc(CN2CCOc3ccccc32)cc1)c1ccccc1C(F)(F)F,CHEMBL3694745,6.21
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1cccc(F)c1,CHEMBL3694746,6.15
+O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(Cl)nc2)cc1)c1ccccc1C(F)(F)F,CHEMBL3694747,6.14
+O=S(=O)(Nc1nccnc1-c1ccc(Cn2c(-c3ccccn3)cc3ccccc32)cc1)c1ccccc1C(F)(F)F,CHEMBL3694748,6.07
+O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3cc(F)ccc32)cc1)c1ccccc1C(F)(F)F,CHEMBL3694749,6.02
+O=S(=O)(Nc1nccnc1-c1ccc(COc2ccccc2)cc1)c1ccccc1C(F)(F)F,CHEMBL3694750,5.88
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1,CHEMBL3694751,5.83
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc(C#N)cc1,CHEMBL3694752,5.83
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1,CHEMBL3694753,5.8
+N#Cc1ccc(OCc2ccc(-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1,CHEMBL3639936,5.8
+O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3ccc(F)cc32)cc1)c1ccccc1C(F)(F)F,CHEMBL3694754,5.71
+COc1ccc2c(c1)cc(C)n2Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3694755,5.66
+COc1ccc(OCc2ccc(-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1,CHEMBL3694756,5.59
+O=S(=O)(Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1Cl,CHEMBL3694757,5.58
+O=S(=O)(Nc1nccnc1-c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1C(F)(F)F,CHEMBL3694758,5.57
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1Cl,CHEMBL3694759,5.55
+O=S(=O)(Nc1nccnc1-c1ccc(COc2cccc(Cl)c2)cc1)c1ccccc1C(F)(F)F,CHEMBL3694760,5.54
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1F,CHEMBL3694761,5.53
+Cc1cc2ccccc2n1Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1,CHEMBL3694762,5.51
+O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3cc(F)ccc32)cc1)c1ccccc1Cl,CHEMBL3694763,5.41
+CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccc1F,CHEMBL3694764,5.41
+Cc1cc2ccccc2n1Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3694765,5.39
+O=S(=O)(Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1C(F)(F)F,CHEMBL3694766,5.35
+CCN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccn1,CHEMBL3694767,5.35
+Cc1cc2cc(Cl)ccc2n1Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1,CHEMBL3694768,5.33
diff --git a/chembl_200/CHEMBL5102.csv b/chembl_200/CHEMBL5102.csv
new file mode 100644
index 0000000000000000000000000000000000000000..49054f59c51d64d2664c4e8caec80a6efb797051
--- /dev/null
+++ b/chembl_200/CHEMBL5102.csv
@@ -0,0 +1,340 @@
+COc1cc(CNC(=O)CCCCC=C(C)C)ccc1O,CHEMBL99504,5.27
+COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN,CHEMBL328628,5.94
+COc1cc(CC(=O)NC/C(=C\Cc2ccccc2)COC(=O)C(C)(C)C)ccc1O,CHEMBL98652,5.91
+COc1cc(CC(=O)NC/C(=C/Cc2ccccc2)COC(C)=O)ccc1O,CHEMBL316720,4.53
+COc1cc(CC(=O)NCC(COC(C)=O)Cc2ccccc2)ccc1O,CHEMBL100887,4.71
+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O,CHEMBL101866,6.39
+COc1cc(CC(=O)NCC(/C=C/C(=O)OC(C)(C)C)Cc2ccccc2)ccc1O,CHEMBL97968,6.32
+COC(=O)/C=C/C(CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1,CHEMBL317352,4.87
+COc1cc(CC(=O)NCC(CCc2ccccc2)COC(C)=O)ccc1O,CHEMBL99326,4.34
+COc1cc(CC(=O)NCC(COCc2ccccc2)COC(C)=O)ccc1O,CHEMBL98171,4.11
+COc1cc(CC(=O)NCC(CCc2ccccc2)COC(=O)C(C)(C)C)ccc1O,CHEMBL101775,6.53
+COc1cc(CC(=O)NC/C(=C\Cc2ccccc2)COC(C)=O)ccc1O,CHEMBL318503,4.89
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1ccc(OC)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL319214,9.0
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1ccc(OCCN)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL317463,8.37
+C=C(C)[C@@]12C[C@@H](C)C34OC(C)(OC1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL98363,8.49
+C=C(C)[C@@]12C[C@@H](C)C34OC(c5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL99940,9.77
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1ccccc1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL319078,8.08
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(CNC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL97880,7.97
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)Cc4ccccc4)C[C@@H](C)C3(O)[C@@H]3C=C(C)C(=O)[C@@]3(OC)C2)ccc1O,CHEMBL98634,6.22
+COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,CHEMBL294199,5.73
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)c4ccc([N-][N+]#N)cc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL107105,6.7
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)Cc4ccccc4)C(=O)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL322621,5.89
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1OC(C)=O,CHEMBL319644,5.77
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)Cc4ccc([N-][N+]#N)cc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL316808,6.7
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)CC4CCCCC4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL317025,6.4
+Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2,CHEMBL391997,6.07
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)C4CCCCC4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL107248,5.66
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)c4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL325545,6.4
+COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)Cc4ccccc4)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O,CHEMBL320485,6.52
+CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1,CHEMBL104661,6.74
+CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1,CHEMBL317261,6.265
+CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1,CHEMBL107638,7.13
+Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL74881,7.386
+COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O,CHEMBL107244,6.83
+COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL107861,7.11
+COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL392584,8.2
+Cc1ccc(CC(CNC(=S)NCc2cccc(NS(C)(=O)=O)c2)COC(=O)C(C)(C)C)cc1C,CHEMBL104790,6.45
+COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL323435,7.6
+Cc1ccc(CC(CNC(=S)NCc2ccc(NS(=O)(=O)C(C)C)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL421409,6.64
+COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O,CHEMBL72561,7.31
+Cc1ccc(CC(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL107115,5.52
+Cc1ccc(CC(CNC(=S)NCc2ccc(NS(=O)(=O)c3ccccc3)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL327084,5.6
+COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O,CHEMBL392495,7.76
+CC(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1,CHEMBL107204,5.77
+Cc1ccc(CC(CNC(=S)NCc2ccc(NC(=O)C(C)C)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL322286,5.59
+Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C,CHEMBL451554,6.39
+CC(C)(C)c1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1,CHEMBL104173,6.62
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL15848,6.77
+COc1cc(COC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O,CHEMBL73789,6.7
+Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C,CHEMBL308800,6.26
+Cc1ccc(CC(CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL308589,6.47
+Cc1ccc(CC(CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C,CHEMBL305954,6.68
+Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C,CHEMBL72562,6.67
+Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL305668,6.32
+Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL308507,6.3
+Cc1ccc(CC(COC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL74329,5.7
+Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1C,CHEMBL72614,6.21
+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O,CHEMBL308964,6.37
+Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C,CHEMBL308999,5.98
+COc1cc(CNC(=S)N(O)CC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O,CHEMBL74873,6.4
+CC(C)(C)C(=O)OCC(Cc1ccc(C(C)(C)C)cc1)CN(O)C(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL75043,6.39
+CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL253392,7.502000000000001
+Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C,CHEMBL73418,6.807
+Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1C,CHEMBL74315,6.66
+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1,CHEMBL228451,7.235
+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1,CHEMBL361931,6.17
+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1,CHEMBL189418,6.05
+CC(C)Oc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL191024,5.265
+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1,CHEMBL190637,7.09
+CC(C)(C)c1ccc(CNC(=S)Nc2ccc(NS(C)(=O)=O)cc2)cc1,CHEMBL189640,5.095
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+CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cn2)cc1,CHEMBL187838,5.155
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+C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL403134,6.77
+C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL254200,7.89
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+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1OC(C)=O,CHEMBL1278198,5.34
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+CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(O)c(Br)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1276855,7.6
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1276941,8.2
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1276942,7.83
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)cc(Br)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1277028,6.825
+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1N,CHEMBL1277029,6.97
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(N)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1277120,6.1
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1277210,7.24
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1277211,8.215
+CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1,CHEMBL1277305,8.16
+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL1277306,7.07
+COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Br)cc1NS(C)(=O)=O,CHEMBL1277394,7.37
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(F)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644414,9.59
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(Cl)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644415,8.99
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+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(Br)cc(Br)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644418,6.96
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1ccc(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644419,9.89
+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(F)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644420,9.15
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+C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(Br)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,CHEMBL1644422,8.625
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1C#N)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940208,7.38
+CC(C)c1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL1940201,6.87
+COc1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL1940199,5.19
+CC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940198,6.37
+CC(C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940197,6.82
+CC(C(=O)NCc1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940195,6.495
+CC(C(=O)NCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940194,6.205
+CC(NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940191,5.665
+COc1cc(C2(C(=O)NCc3ccc(C(C)(C)C)cc3)CC2)ccc1NS(C)(=O)=O,CHEMBL1940190,5.885
+CC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1,CHEMBL1940186,5.98
+COc1cc(C(C)(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL1940188,6.265
+CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL1940187,6.15
+Cc1ccc(/C=C/CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C,CHEMBL1940215,6.69
+CC(C(=O)NC/C=C/c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940373,6.235
+CC(C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940374,5.03
+CC(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940375,5.23
+CC(C(=O)NCC(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940376,5.685
+CC(C(=O)NCC=C(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940378,7.76
+CC(C(=O)NCC1CC1(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940379,6.78
+CC(C(=O)NCCN(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940380,7.135
+Cc1ccc(C(CCNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(C)cc2)cc1,CHEMBL1940381,7.255
+CC(C(=O)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940384,7.445
+CC(C(=O)NCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940385,7.57
+CC(C(=O)NCC=C1c2ccccc2CCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940387,6.88
+CC(C(=O)NCC=C1c2ccccc2C=Cc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL1940388,6.86
+Cc1ccc(CC(COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C,CHEMBL2029631,6.41
+CC(C)(C)C(=O)OCC(Cc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2029632,6.845
+CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1,CHEMBL2029633,6.94
+Cc1ccc(CC(COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C,CHEMBL2029629,6.24
+CC(C)(C)C(=O)OCC(Cc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1,CHEMBL2029630,6.38
+CC(C)(C)C(=O)OCC(NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1,CHEMBL2029640,6.64
+CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1,CHEMBL2029634,7.05
+CC(C)(C)C(=O)OCC(CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1,CHEMBL2029636,6.49
+Cc1ccc(CCC(COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C,CHEMBL2029637,6.935
+CC(C)(C)C(=O)OCC(CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL2029638,6.77
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(Cl)c1,CHEMBL2042265,7.52
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(I)c1,CHEMBL2042383,7.575
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1cc(F)c(NS(C)(=O)=O)c(F)c1,CHEMBL2042384,7.915
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1F,CHEMBL2042385,6.68
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1Cl,CHEMBL2042386,5.6
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C#N)c1,CHEMBL2042387,6.395
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C(=O)OC(C)(C)C)c1,CHEMBL2042388,5.17
+COC(=O)c1cc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL2042390,5.905
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C(=O)NCc2ccccc2)c1,CHEMBL2042391,5.43
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CHEMBL2042394,5.15
+Cc1cc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL2042396,7.6
+COc1cc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O,CHEMBL2042397,6.45
+CC(C)(C)c1ccc(CNC(=O)Cc2ccc(O)c(F)c2)cc1,CHEMBL2057215,6.09
+CC(C)(C)c1ccc(CNC(=O)Cc2ccc(O)c(Cl)c2)cc1,CHEMBL2057845,6.88
+COc1cc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL2057846,6.51
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(O)c(F)c1,CHEMBL2057847,6.75
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(O)c(Cl)c1,CHEMBL2057848,7.48
+COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN,CHEMBL2057849,5.91
+CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(F)c2)cc1,CHEMBL2057850,5.0
+CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1,CHEMBL2057851,5.61
+COc1cc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN,CHEMBL2057852,6.3
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(F)c1,CHEMBL2057853,5.67
+CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(Cl)c1,CHEMBL2057854,6.42
+CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1,CHEMBL76961,6.07
+CCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1,CHEMBL314262,6.62
+COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1O,CHEMBL327228,6.45
+CCCCCCCCNC(=O)C(C)c1ccc(O)c(OC)c1,CHEMBL2057855,6.13
+CCCCCCCCCNC(=O)C(C)c1ccc(O)c(OC)c1,CHEMBL2057856,6.8
+COc1cc(C(C)C(=O)NCCCc2ccc(C)c(C)c2)ccc1O,CHEMBL2057857,6.75
+COc1cc(C(C)C(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN,CHEMBL2057858,6.29
+CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1,CHEMBL76903,6.85
+CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,CHEMBL75124,5.91
+CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,CHEMBL86708,6.06
+CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)c1ccc(O)c(OC)c1,CHEMBL2057859,6.65
+CCCCCCCCC(=O)NC(C)c1ccc(O)c(OC)c1,CHEMBL2057860,5.37
+CCCCCCCCCC(=O)NC(C)c1ccc(O)c(OC)c1,CHEMBL2057861,5.48
+COc1cc(C(C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL2057862,6.71
+COc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN,CHEMBL356291,7.08
+COc1cc(C(C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN,CHEMBL2058155,5.84
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(Br)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425546,8.675
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(Cl)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425545,8.495
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(I)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL595262,8.715
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(I)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425543,8.545
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(F)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425544,8.66
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1ccc(NS(C)(=O)=O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425551,8.89
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1ccc(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425550,9.24
+C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(F)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,CHEMBL2425547,8.93
+CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1,CHEMBL3288617,6.86
+C[C@@H](NC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288618,7.495
+C[C@H](NC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288620,5.7
+Cc1ccc(C[C@H](CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL3288622,7.35
+Cc1ccc(CC(CNC(=S)NC(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL3288623,7.51
+Cc1ccc(CC(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL3288624,8.185
+Cc1ccc(C[C@H](CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C,CHEMBL3288625,7.985
+CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1,CHEMBL3288627,7.13
+CC(NC(=S)NCC(COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288628,7.455
+C[C@@H](NC(=S)NCC(COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288629,7.81
+C[C@@H](NC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288630,7.515
+C[C@@H](NC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288632,6.545
+C[C@@H](NC(=S)N[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1,CHEMBL3288633,6.555
+CCCCCCn1nc(C(C)(C)C)cc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3684331,7.84
+CC(C(=O)NCc1cc(C(C)(C)C)nn1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3684332,9.46
+Cc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3684333,8.23
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689033,7.59
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689034,8.14
+C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689035,8.6
+CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689036,9.7
+C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689037,10.0
+Cc1ccc(/C=C/n2nc(C(C)(C)C)cc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3689039,6.09
+COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1,CHEMBL3689040,5.55
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689041,8.92
+C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689042,7.37
+C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689043,9.4
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689044,9.4
+C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689045,8.29
+C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1,CHEMBL3689046,10.0
+COc1cc(C(C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O,CHEMBL3689047,8.92
+O=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1,CHEMBL3689057,7.07
+CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1,CHEMBL3689067,7.59
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)ccc2F)CC1,CHEMBL3681226,7.2
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(N)c(F)c2)CC1,CHEMBL3681235,8.47
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(O)c([N+](=O)[O-])c(F)c2)CC1,CHEMBL3685848,8.11
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(F)c2)CC1,CHEMBL3681224,7.1
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)cc(Br)c2)CC1,CHEMBL3681233,7.22
+CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2c(F)cccc2F)CC1,CHEMBL3681225,6.93
+COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1N,CHEMBL3681223,7.78
diff --git a/chembl_200/CHEMBL5112.csv b/chembl_200/CHEMBL5112.csv
new file mode 100644
index 0000000000000000000000000000000000000000..44ef73be509d811cf473a5499b7a76dfd87135f1
--- /dev/null
+++ b/chembl_200/CHEMBL5112.csv
@@ -0,0 +1,407 @@
+Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1,CHEMBL45198,7.48
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([N-][N+]#N)ccc1-2,CHEMBL6597,8.51
+CCCCCc1ncn2c3ccc(Cl)cc3c(=O)n(C)c12,CHEMBL471115,6.43
+CCc1ncn2c3ccc(Cl)cc3c(=O)n(C)c12,CHEMBL458321,6.74
+CCCCC(=O)c1ncn2c3ccc(Cl)cc3c(=O)n(C)c12,CHEMBL511685,6.78
+CC(=O)c1ncn2c3ccc(Cl)cc3c(=O)n(C)c12,CHEMBL458320,5.58
+Cn1c(=O)c2cc(Cl)ccc2n2cnc(C(=O)OCC3CC3)c12,CHEMBL458319,8.01
+Cn1c(=O)c2cc(Cl)ccc2n2cnc(C(=O)OC(C)(C)C)c12,CHEMBL458147,9.19
+Cn1c(=O)c2cc(Cl)ccc2n2cnc(CCl)c12,CHEMBL461511,6.3
+CCOCc1ncn2c3ccc(Cl)cc3c(=O)n(C)c12,CHEMBL459031,7.08
+CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL415290,9.07
+COCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2,CHEMBL45346,7.41
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2,CHEMBL58757,9.4
+C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3ncn4c5ccc(C#C)cc5c(=O)n(C)c34)ncn21,CHEMBL394710,7.82
+CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2ccc(C#C[Si](C)(C)C)cc2C1=O,CHEMBL471977,8.58
+C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,CHEMBL471978,8.77
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL499964,5.3
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn1-2,CHEMBL522055,7.86
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCOCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL505497,7.12
+CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(CC)ccc3-4)ncn1-2,CHEMBL443736,7.0
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL449393,8.27
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL35571,7.82
+C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2,CHEMBL286594,9.31
+C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)ncn1-2,CHEMBL505768,6.71
+Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,CHEMBL363211,8.85
+Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,CHEMBL373250,8.64
+CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2,CHEMBL52030,9.35
+Cn1nnc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2CCOCC2)on1,CHEMBL3675674,7.54
+Cn1nc(OCc2c(-c3ccc(F)cc3)nnn2C)cc1C(=O)NC1CCOCC1,CHEMBL3675675,7.34
+Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2CCOCC2)n(C)n1,CHEMBL3675676,7.8
+Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NN2CCOCC2)n(C)n1,CHEMBL3675677,7.65
+Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2(C)COC2)n(C)n1,CHEMBL3675678,7.36
+Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC(C)C,CHEMBL3675679,7.95
+Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC1CCOCC1,CHEMBL3675680,8.21
+Cc1nc(/C=C/c2c(C)nnn2-c2ccc(F)cc2)sc1C(=O)NC1CCOCC1,CHEMBL3675681,8.59
+Cc1nc(/C=C/c2c(C)nnn2-c2ccc(F)cc2)sc1C(=O)NC(C)C,CHEMBL3675682,8.17
+Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C,CHEMBL3675683,7.68
+Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC1CCOCC1,CHEMBL3675684,7.9
+Cc1onc(-c2ccccc2)c1COc1ccccn1,CHEMBL3676453,7.44
+Cc1cccc(OCc2c(-c3ccccc3)noc2C)n1,CHEMBL3676454,8.51
+Cc1onc(-c2ccccc2)c1COc1ccc(Br)cn1,CHEMBL3676455,7.51
+Cc1onc(-c2ccccc2)c1COc1ccc(C(F)(F)F)cn1,CHEMBL3676456,7.22
+Cc1onc(-c2ccccc2)c1COc1ccc(C#N)cn1,CHEMBL3676457,7.88
+Cc1onc(-c2ccccc2)c1COc1ccc([N+](=O)[O-])cn1,CHEMBL3676458,7.65
+COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676459,7.85
+CNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676460,8.37
+CCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676461,8.54
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCF)cn1,CHEMBL3676462,8.36
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(F)F)cn1,CHEMBL3676463,8.7
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676464,8.66
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCO)cn1,CHEMBL3676465,8.59
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3676505,7.63
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3676506,7.59
+Cc1onc(-c2ccccc2)c1COc1cc(OCc2ccccc2)ccn1,CHEMBL3676507,7.45
+Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NCC(F)(F)F)ccn1,CHEMBL3676508,7.42
+Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NC2CCOCC2)ccn1,CHEMBL3676509,7.26
+Cc1nc(OCc2c(-c3ccccc3)noc2C)ccc1C(=O)NC1CCOCC1,CHEMBL3676510,7.41
+Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)O)cn1,CHEMBL3676511,7.74
+Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC(C)C)cn1,CHEMBL3676512,7.84
+Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC2CCOCC2)cn1,CHEMBL3676513,7.97
+COC(=O)c1cnc(OCc2c(-c3ccccc3)noc2C)c(Br)c1,CHEMBL3676514,7.46
+Cc1onc(-c2ccccc2)c1COc1ncc(C(=O)NC2CCOCC2)cc1Br,CHEMBL3676515,7.61
+Cc1cc(C(=O)NC2CCOCC2)cnc1OCc1c(-c2ccccc2)noc1C,CHEMBL3676516,8.85
+Cc1nc(OCc2c(-c3ccccc3)noc2C)c(Br)cc1C(=O)NC1CCOCC1,CHEMBL3676517,7.33
+Cc1onc(-c2ccccc2)c1COc1ncc(C(=O)NC(C)C)cc1Br,CHEMBL3676518,7.73
+Cc1cc(C(=O)NC(C)C)cnc1OCc1c(-c2ccccc2)noc1C,CHEMBL3676519,8.53
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C(C)C)cn1,CHEMBL3676520,7.27
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCOCC2(C)C)cn1,CHEMBL3676521,7.09
+CCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1C,CHEMBL3676522,7.71
+CC(C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681438,7.38
+O=C(NC1CC1)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681439,7.62
+O=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681440,7.66
+COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681441,7.24
+CNC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681442,7.7
+CCNC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681443,7.48
+O=C(NCCO)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681444,7.78
+O=C(NCC(F)(F)F)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681445,7.24
+O=C(NCC1CC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681446,7.65
+CC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681447,7.47
+O=C(NC1CC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681448,7.42
+O=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1,CHEMBL3681449,7.9
+O=C(c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1)N1CCS(=O)(=O)CC1,CHEMBL3681450,7.23
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681451,8.23
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3681452,8.39
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681453,8.15
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681454,8.35
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681455,8.25
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681456,7.07
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681457,7.4
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cn1,CHEMBL3681513,8.8
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCN2CCNC2=O)cn1,CHEMBL3681514,8.37
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCC(C)O)cn1,CHEMBL3681515,8.64
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cn1,CHEMBL3681516,8.35
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cn1,CHEMBL3681517,8.08
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(O)CO)cn1,CHEMBL3681518,8.7
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCO)cn1,CHEMBL3681519,8.66
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCO)cn1,CHEMBL3681520,8.59
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCCO)cn1,CHEMBL3681521,8.39
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCCCO)cn1,CHEMBL3681522,8.09
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC(O)C2)cn1,CHEMBL3681523,7.58
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CC(OCc3ccccc3)C2)cn1,CHEMBL3681524,8.755
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCC2C)cn1,CHEMBL3681525,7.32
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCC2)cn1,CHEMBL3681526,7.43
+COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681527,7.32
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1,CHEMBL3681528,7.55
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2(C)COC2)cn1,CHEMBL3681529,8.85
+Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681579,8.39
+Cc1onc(-c2ccc(F)cn2)c1COCc1ccc(C(N)=O)cn1,CHEMBL3681584,9.22
+Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1,CHEMBL3681583,9.3
+COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cn3)noc2C)nc1,CHEMBL3681580,8.8
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)O)cn1,CHEMBL3681581,8.42
+Cc1onc(-c2ccc(Cl)cn2)c1COC(O)C(C)(C)c1ccc(C(N)=O)cn1,CHEMBL3681582,9.22
+Cc1onc(-c2ccc(Cl)cn2)c1COC(c1ccc(C(N)=O)cn1)C1CC1,CHEMBL3681585,9.52
+Cc1onc(-c2ccc(Cl)cn2)c1COC(c1ccc(C(N)=O)cn1)C(F)(F)F,CHEMBL3681586,9.7
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3639804,9.22
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681587,9.4
+Cc1onc(-c2ccc(Cl)cn2)c1COC(O)Cc1ccc(C(N)=O)cn1,CHEMBL3681588,10.0
+COC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1,CHEMBL3681589,7.95
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(C)O)cn1,CHEMBL3676466,8.6
+COCCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676467,8.28
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3676468,8.41
+CCC(CC)CNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676469,8.11
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CC(=O)NO2)cn1,CHEMBL3676470,7.71
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2nc(C3CC3)no2)cn1,CHEMBL3676471,7.88
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2cc(C3CC3)n[nH]2)cn1,CHEMBL3676472,7.67
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2nc(C#N)cs2)cn1,CHEMBL3676473,8.55
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2ccccn2)cn1,CHEMBL3676474,8.34
+Cc1cc(CNC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)c(=O)[nH]n1,CHEMBL3676475,8.19
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(=O)OC(C)(C)C)cn1,CHEMBL3676476,7.46
+CCOC(=O)C(C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3676477,7.69
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676478,8.89
+Cc1onc(-c2ccccc2)c1COc1cccc(C#N)n1,CHEMBL3676523,7.68
+Cc1onc(-c2ccccc2)c1COc1ccc(C2(O)COC2)cn1,CHEMBL3676524,7.55
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1,CHEMBL3676525,7.52
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CCCOC2)cn1,CHEMBL3676526,7.93
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CCOC2)cn1,CHEMBL3676527,8.34
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCn3nccc32)cn1,CHEMBL3676528,7.39
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2COCc3ccccc32)cn1,CHEMBL3676529,7.17
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2cc(C(C)C)no2)cn1,CHEMBL3676530,7.35
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC3(COC3)C2)cn1,CHEMBL3676531,7.82
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC23COC3)cn1,CHEMBL3676532,7.77
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)OC(C)C)cn1,CHEMBL3676533,8.33
+Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676534,8.35
+Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1,CHEMBL3676535,8.01
+Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676536,8.44
+Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676537,8.34
+COC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nc1,CHEMBL3639754,7.76
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676538,8.52
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3676539,8.49
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676540,8.64
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3676541,7.38
+Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3681458,7.18
+COC(=O)c1ccc(OCc2c(-c3cccnc3)noc2C)nc1,CHEMBL3681459,7.27
+Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681460,7.62
+Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3681461,7.53
+Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681462,7.58
+Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681463,7.5
+Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681464,7.55
+Cc1onc(-c2ccccc2)c1CNc1ccccn1,CHEMBL3681465,7.06
+COC(=O)c1ccc(NCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681466,7.56
+Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCO)cn1,CHEMBL3681467,7.98
+Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCN2CCCC2=O)cn1,CHEMBL3681468,7.43
+Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681469,8.23
+Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681470,7.97
+Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681471,8.06
+COC(=O)c1ccc(NCc2c(-c3cccc(F)c3)noc2C)nc1,CHEMBL3681472,7.16
+Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681473,7.75
+Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681474,7.81
+Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681475,7.71
+COC(=O)c1ccc(NCc2c(-c3ccc(F)cc3)noc2C)nc1,CHEMBL3681476,7.59
+CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681530,7.49
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)C(F)(F)F)cn1,CHEMBL3681531,9.22
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1,CHEMBL3681532,8.72
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)S(=O)(=O)C2CC2)cn1,CHEMBL3681533,7.44
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2cnn(C)c2)cn1,CHEMBL3681534,8.96
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)n2ccc(=O)[nH]2)cn1,CHEMBL3681535,7.46
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2(C)CC2)cn1,CHEMBL3681536,8.44
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC2)cn1,CHEMBL3681537,7.86
+COC1CN(C(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1,CHEMBL3681538,7.8
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCSC2)cn1,CHEMBL3681539,7.43
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2(C#N)CC2)cn1,CHEMBL3681540,8.54
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2ccn(C)n2)cn1,CHEMBL3681541,8.29
+Cc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1,CHEMBL3681542,8.48
+Cc1nnc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)[nH]1,CHEMBL3681543,8.96
+CSc1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681544,7.75
+Cc1onc(-c2ccccc2)c1COc1ccc(S(C)=O)cn1,CHEMBL3681545,7.55
+Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)c1,CHEMBL3681546,8.49
+Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c1,CHEMBL3681547,8.51
+Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)cc1,CHEMBL3681548,9.05
+Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)cc1,CHEMBL3681549,9.0
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681590,8.52
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681591,8.25
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3681592,8.09
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681593,7.44
+CCNC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1,CHEMBL3681594,8.51
+CNC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1,CHEMBL3681595,8.32
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681596,7.69
+Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NCCO)cn1,CHEMBL3681597,8.22
+CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccc2)nc1,CHEMBL3681598,7.67
+O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccc2)nc1,CHEMBL3681599,7.75
+CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681600,8.14
+O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681601,7.97
+CC(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681602,8.05
+C[C@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681603,7.56
+C[C@@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681604,7.86
+O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681605,7.76
+O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681606,7.89
+O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681607,7.82
+O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681608,7.75
+O=C(N[C@@H]1CCC[C@H]1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681609,7.65
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3676479,8.57
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCC2)cn1,CHEMBL3676480,8.55
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCC2)cn1,CHEMBL3676481,8.41
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCCC2)cn1,CHEMBL3676482,7.88
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676483,8.68
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCOC(C)(C)C2)cn1,CHEMBL3676484,8.1
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cn1,CHEMBL3676485,8.31
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCN(C)CC2)cn1,CHEMBL3676486,8.2
+CCN1CCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)CC1,CHEMBL3676487,8.03
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCN(C(C)C)CC2)cn1,CHEMBL3676488,8.0
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1,CHEMBL3676489,8.14
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)cn1,CHEMBL3676490,7.36
+CCN1CCCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1,CHEMBL3676491,8.3
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676542,8.77
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3676543,7.32
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3676544,7.34
+Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676545,7.87
+COC(=O)c1ccc(OCc2c(-c3cccc(Cl)c3)noc2C)nc1,CHEMBL3676546,7.56
+Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676547,8.11
+Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3676548,8.09
+Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3676549,8.12
+Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676550,8.41
+Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676551,7.71
+COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nc1,CHEMBL3676552,7.79
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)O)cn1,CHEMBL3676553,7.4
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676554,8.92
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3676555,8.82
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676556,9.15
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681415,8.96
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681416,9.1
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681417,7.89
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681418,7.98
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3681419,8.33
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681477,8.23
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3681478,8.12
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681479,8.43
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681480,8.13
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681481,8.19
+CC(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681482,8.03
+COC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681483,8.14
+Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)C(C)C)cn1,CHEMBL3681484,7.72
+Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)C2CC2)cn1,CHEMBL3681485,8.0
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3681486,8.0
+COCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681487,8.11
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1,CHEMBL3639803,8.35
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(O)C(F)(F)F)cn1,CHEMBL3681488,8.64
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC(O)CC2)cn1,CHEMBL3681489,7.13
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(C)(C)CO)cn1,CHEMBL3681490,8.11
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCOC(C)C)cn1,CHEMBL3681491,7.38
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)CO)cn1,CHEMBL3681492,9.0
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC(O)C2)cn1,CHEMBL3681493,8.3
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCCC2O)cn1,CHEMBL3681494,8.54
+Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c(F)c1,CHEMBL3681550,9.1
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3681551,8.39
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)Nc2cnn(C)c2)cn1,CHEMBL3681552,9.1
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@H](C)CO)cn1,CHEMBL3681553,9.1
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1,CHEMBL3681554,9.3
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1,CHEMBL3681555,8.89
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cn1,CHEMBL3681556,9.15
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1,CHEMBL3681557,9.3
+Cc1onc(-c2cccc(F)c2F)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681558,7.58
+Cc1onc(-c2cccc(F)c2F)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681559,8.28
+Cc1onc(-c2ccc(F)cc2F)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681560,8.62
+Cc1onc(-c2ccc(F)cc2F)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681561,8.64
+Cc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681562,7.56
+Cc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681563,8.37
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3681564,8.03
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NCC(C)(C)CO)cn1,CHEMBL3681565,8.48
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NCC(C)(C)O)cn1,CHEMBL3681566,8.17
+Cc1onc(-c2ccc(Cl)cc2F)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681567,9.4
+COC(=O)c1ccc(OCc2c(-c3ccccn3)noc2C)nc1,CHEMBL3681568,8.42
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681569,8.96
+O=C(NCC(O)C(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681610,7.88
+O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681611,7.67
+CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681612,7.42
+COCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681613,7.39
+C[C@@H](O)CNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681614,8.02
+O=C(NCCO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681615,7.63
+O=C(NCC1(O)CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681616,7.64
+O=C(NC1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,CHEMBL3681617,7.71
+O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681618,7.82
+O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681619,7.91
+CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681620,8.25
+O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681621,8.19
+O=C(NCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681622,7.96
+CC(O)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681623,8.15
+O=C(NCCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681624,7.99
+CC(C)(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681625,7.4
+CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681626,7.64
+CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(OCc3conc3-c3ccc(Cl)cc3)nc2)C1,CHEMBL3681627,7.26
+O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681628,8.1
+CCOC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1,CHEMBL3676492,7.86
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)O)C2)cn1,CHEMBL3676493,8.03
+CCNC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1,CHEMBL3676494,7.86
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)NC3CC3)C2)cn1,CHEMBL3676495,7.91
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)NCC(F)(F)F)C2)cn1,CHEMBL3676496,8.0
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)NCCO)C2)cn1,CHEMBL3676497,8.08
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)NC3CCOCC3)C2)cn1,CHEMBL3676498,7.88
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)(C)C)cn1,CHEMBL3676499,7.93
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2ccccc2)cn1,CHEMBL3676500,7.42
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2ccc(F)cc2)cn1,CHEMBL3676501,7.92
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C2CCOCC2)cn1,CHEMBL3676502,7.69
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCCC2)cn1,CHEMBL3676503,7.29
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC(F)(F)CC2)cn1,CHEMBL3676504,7.77
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C2(O)COC2)cn1,CHEMBL3681420,7.68
+COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C)nc1,CHEMBL3681421,8.35
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)O)cn1,CHEMBL3681422,7.65
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681423,8.68
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3681424,8.89
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681425,9.15
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681426,8.96
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681427,9.1
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681428,8.27
+Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681429,8.12
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681430,8.57
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681431,8.33
+Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3676421,9.52
+Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NCCO)cn1,CHEMBL3676422,9.4
+CCNC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1,CHEMBL3676423,9.3
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676424,9.52
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676425,9.52
+Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3676426,9.52
+Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676427,7.83
+Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2O)cn1,CHEMBL3676428,7.53
+CNC(=O)c1ccc(OCc2c(C3CCCCN3)noc2C)nc1,CHEMBL3676430,8.89
+CCNC(=O)c1ccc(OCc2c(C3CCCCN3)noc2C)nc1,CHEMBL3676431,8.96
+Cc1onc(C2CCCCN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3676432,8.4
+Cc1onc(C2CCCCN2)c1COc1ccc(C(=O)NCCO)cn1,CHEMBL3676433,9.3
+COCCNC(=O)c1ccc(OCc2c(C3CCCCN3)noc2C)nc1,CHEMBL3676434,8.96
+Cc1onc(C2CCC(F)CN2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3676435,9.4
+Cc1onc(C2CCC(F)CN2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3676436,9.52
+Cc1onc(C2CCC(F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3676437,9.22
+Cc1onc(C2CCC(F)CN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1,CHEMBL3676438,8.92
+Cc1onc(C2CCC(F)CN2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3639753,9.4
+O=C(NC1CCOCC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,CHEMBL3676439,8.1
+CC(C)NC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,CHEMBL3676440,8.17
+O=C(NC1CC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,CHEMBL3676441,7.87
+CCNC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,CHEMBL3676442,7.85
+Cc1onc(C2CCCNC2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676443,7.64
+Cc1onc(-c2ccccc2)c1COc1cc(C2=CCN(C)CC2)ccn1,CHEMBL3676444,7.49
+Cc1onc(C2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@@H]2CO)cn1,CHEMBL3676445,7.38
+Cc1onc(C2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@H]2CO)cn1,CHEMBL3676446,7.69
+Cc1onc(C2CNCC(F)C2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676447,8.92
+Cc1onc(C2CNCC(Cl)C2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676448,9.22
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676449,7.53
+Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)N2CC3CC(C2)O3)cn1,CHEMBL3676450,7.37
+Cc1onc(-c2ccc(Cl)cc2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676451,8.54
+Cc1onc(C2CCCCN2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,CHEMBL3676452,8.0
+Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC2CCOCC2)cn1,CHEMBL3681432,8.62
+COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681433,7.05
+CNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681434,7.61
+CCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681435,7.51
+O=C(NCCO)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681436,7.47
+O=C(NCC1CC1)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1,CHEMBL3681437,7.55
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(C)(C)O)cn1,CHEMBL3681495,8.64
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2(O)CC2)cn1,CHEMBL3681496,8.68
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](C)CO)cn1,CHEMBL3681497,8.77
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1,CHEMBL3681498,9.15
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cn1,CHEMBL3681499,8.19
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCC2O)cn1,CHEMBL3681500,8.41
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(CO)CO)cn1,CHEMBL3681501,8.77
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCOC2)cn1,CHEMBL3681502,8.8
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cn1,CHEMBL3681503,8.32
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cn1,CHEMBL3681504,8.36
+CC(=O)NCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681505,8.4
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](CO)C(C)C)cn1,CHEMBL3681506,8.74
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](CO)CC(C)C)cn1,CHEMBL3681507,7.96
+CC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681508,9.15
+CC[C@H](CO)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1,CHEMBL3681509,8.64
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2O)cn1,CHEMBL3681510,8.3
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@H]2O)cn1,CHEMBL3681511,8.57
+Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1,CHEMBL3681512,8.7
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC(C)C)cn1,CHEMBL3681570,9.22
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCOCC2)cn1,CHEMBL3681571,7.84
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1,CHEMBL3681572,8.96
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC2CC2)cn1,CHEMBL3681573,8.82
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CC2)cn1,CHEMBL3681574,8.8
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCSCC2)cn1,CHEMBL3681575,8.17
+Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)O)cn1,CHEMBL3681576,7.65
+COC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1,CHEMBL3681577,8.7
+Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)O)cn1,CHEMBL3681578,7.72
+O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681629,8.26
+C[C@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681630,7.97
+C[C@@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681631,8.37
+CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,CHEMBL3681632,7.88
+C[C@H](NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1)C(F)(F)F,CHEMBL3681633,7.7
+O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3681634,7.75
+CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686271,7.88
+O=C(NC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686272,7.72
+O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686273,7.72
+O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686274,8.1
+O=C(NCCO)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686275,7.7
+CCNC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1,CHEMBL3686276,7.87
+CC(C)(c1ccc(C(N)=O)cn1)C(O)OCc1conc1-c1ccc(F)cn1,CHEMBL3686277,7.35
+NC(=O)c1ccc(C(OCc2conc2-c2ccc(F)cn2)C(F)(F)F)nc1,CHEMBL3686278,8.03
+NC(=O)c1ccc(CC(O)OCc2conc2-c2ccc(F)cn2)nc1,CHEMBL3686279,7.67
+NC(=O)c1ccc(COCc2conc2-c2ccc(F)cn2)nc1,CHEMBL3686280,7.73
diff --git a/chembl_200/CHEMBL5113.csv b/chembl_200/CHEMBL5113.csv
new file mode 100644
index 0000000000000000000000000000000000000000..2ae06ff9916d39abe14295c514243a11a1dbea05
--- /dev/null
+++ b/chembl_200/CHEMBL5113.csv
@@ -0,0 +1,1317 @@
+CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O,CHEMBL262404,4.18
+CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC(=O)N3)CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O,CHEMBL438925,7.89
+CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O,CHEMBL412459,6.57
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1,CHEMBL185424,6.0
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1,CHEMBL184596,5.7
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1,CHEMBL183421,6.3
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2Cl)[C@H](c2ccccc2)O1,CHEMBL364814,6.9
+CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1,CHEMBL185131,6.3
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL403259,7.55
+Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,CHEMBL445161,7.82
+Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,CHEMBL429848,8.52
+Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1,CHEMBL255763,8.7
+Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C,CHEMBL272715,9.15
+Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1,CHEMBL401653,8.52
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2o1,CHEMBL404343,6.92
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1,CHEMBL403667,7.41
+Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,CHEMBL404734,7.31
+Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,CHEMBL429130,8.05
+O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL404153,6.89
+O=C(Nc1ccccc1-c1ccccc1F)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL404053,7.57
+COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL255780,7.07
+O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,CHEMBL271232,7.4
+O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL271438,7.16
+O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL256788,5.64
+O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL404397,6.3
+O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL256789,8.0
+O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL258298,5.85
+O=C(Nc1ccccc1-n1cccc1)[C@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,CHEMBL255845,5.6
+Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1,CHEMBL1334465,7.66
+Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1,CHEMBL2110363,8.96
+CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1,CHEMBL522758,8.06
+CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,CHEMBL455136,7.89
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1,CHEMBL469146,8.92
+O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2,CHEMBL512778,7.29
+C=CCCCc1ccc2cc(N3CCCN(C(=O)c4cc(CC=C)ccc4-n4nccn4)CC3)ccc2c1,CHEMBL466260,7.2
+Cc1ccc(-n2nccn2)c(CN2CCCN(c3ncc4ccccc4n3)CC2)c1,CHEMBL466259,6.03
+O=C(C1CCCCC1)N1CCCN(c2ncc3ccccc3n2)CC1,CHEMBL511604,5.01
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1,CHEMBL469147,8.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1,CHEMBL1089406,9.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CN(c2ncc4ccccc4n2)C3)c1,CHEMBL1091111,7.92
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CC2CN3c2ncc3cc(F)ccc3n2)c1,CHEMBL1091112,6.06
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CCN3c2ncc3cc(F)ccc3n2)c1,CHEMBL1093724,5.77
+O=C(c1cc(Cl)ccc1-n1nccn1)N1CC2CC(C1)N(c1ncc3cc(F)ccc3n1)C2,CHEMBL1093725,9.4
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1,CHEMBL1083357,9.41
+C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1084949,8.21
+C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1083358,8.74
+C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1083041,8.74
+C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1083657,9.11
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4ccccc4o3)CC[C@H]2C)c1,CHEMBL1083658,8.39
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,CHEMBL1083659,9.24
+C[C@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL1082414,7.27
+O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2,CHEMBL1172520,9.4
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170803,9.05
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1,CHEMBL1172519,8.0
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1,CHEMBL1171595,8.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H]3CC[C@H]2CN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1171766,6.8
+Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CC[C@@H]2CN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1171767,6.46
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CCN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170178,9.22
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CC[C@H]2CCN3c2ncc3ccc(F)cc3n2)c1,CHEMBL1170179,8.12
+CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1272044,5.5
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,CHEMBL1271649,5.6
+Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1271760,5.6
+CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,CHEMBL1272043,5.6
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccco1,CHEMBL1271878,5.7
+Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccco1,CHEMBL1271933,5.7
+Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c(C)c1,CHEMBL1271542,5.9
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1,CHEMBL1271650,6.0
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,CHEMBL1271489,6.1
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1Cc1ccco1,CHEMBL1272095,6.1
+Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1C,CHEMBL1271490,6.2
+Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1,CHEMBL1272307,9.41
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,CHEMBL1830968,9.0
+O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,CHEMBL1830967,8.0
+O=C(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,CHEMBL1830966,7.3
+CN(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)C(=O)c1ccc(F)cc1,CHEMBL1830965,6.3
+O=C(NC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1,CHEMBL1830964,7.4
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1,CHEMBL1830963,9.9
+O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,CHEMBL1830962,8.1
+O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1F,CHEMBL1830961,9.8
+O=C(c1cccc2ccccc12)N1CCCC[C@H]1CCOc1ccc(F)cc1,CHEMBL1830960,8.2
+O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1,CHEMBL1830959,8.3
+O=C(c1ccc(Cl)c(Cl)c1)N1CCCCC1CCOc1ccc(Cl)c(Cl)c1,CHEMBL1830958,5.6
+N#Cc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,CHEMBL1830957,6.4
+COc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,CHEMBL1830956,6.9
+CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C,CHEMBL2385132,6.05
+COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,CHEMBL2413516,7.68
+CC1=NOC(=c2ccccc2=CN2CCCC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)N1,CHEMBL2413515,5.79
+CC1=NOC(=c2ccccc2=CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)N1,CHEMBL2413514,5.85
+Cc1cc(C)nc(N2CC[C@@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)[C@H]3C2)n1,CHEMBL2413513,5.85
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL2413512,6.36
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL2413511,7.48
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3nccc4ccccc34)OC[C@H]2C)c1,CHEMBL2413510,8.66
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1,CHEMBL2413509,6.14
+Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1,CHEMBL2111553,7.55
+Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL2107822,8.6
+Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1,CHEMBL2413520,5.36
+CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1,CHEMBL2413519,7.44
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1,CHEMBL2413366,9.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1,CHEMBL2413365,9.3
+COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1,CHEMBL2425788,8.05
+COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F,CHEMBL2425787,7.92
+Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL2425786,7.49
+COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1,CHEMBL2425785,9.0
+COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F,CHEMBL2425784,8.52
+COc1ccc([C@]2(COc3cnc(C)nc3C)C[C@H]2C(=O)Nc2ccc(F)cn2)cc1F,CHEMBL2425783,7.52
+O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435393,6.02
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435395,6.12
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)cc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435394,6.09
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435396,6.15
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4[nH]ncc4-c4ccccc4)C3=O)CC2)n1,CHEMBL2435397,6.11
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ncccc45)C3=O)CC2)n1,CHEMBL2435399,5.88
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4[nH]nc5ccccc45)C3=O)CC2)n1,CHEMBL2435398,6.31
+COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,CHEMBL2435400,7.69
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1,CHEMBL2435401,5.84
+Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435403,6.18
+COc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435402,6.29
+Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL2435404,5.85
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435407,6.52
+O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435408,6.29
+O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL2435409,7.715
+Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1,CHEMBL2435410,6.43
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL2435411,7.965
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12,CHEMBL2435412,6.595
+Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1,CHEMBL2435413,7.17
+O=C1N(Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL2435414,5.82
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1,CHEMBL2435415,5.835
+COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099899,7.02
+COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099898,5.96
+COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099897,6.13
+COc1ccc(CNC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099896,4.19
+COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099895,5.29
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099894,5.97
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC,CHEMBL3099893,6.34
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2)c1,CHEMBL3099892,6.63
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1,CHEMBL3099891,5.96
+COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1,CHEMBL3099890,5.47
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1,CHEMBL3099889,6.08
+COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1,CHEMBL3099888,5.53
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1,CHEMBL3099887,5.14
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1,CHEMBL3099886,6.56
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)c1,CHEMBL3099885,5.72
+Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)OCO4)c2)c1,CHEMBL3099884,5.45
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235249,9.0
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](CCc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235250,6.33
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C/c3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235251,7.77
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C\c3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235252,6.87
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1,CHEMBL3235253,8.96
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccccn3)CC[C@H]2C)c1,CHEMBL3235254,7.57
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3)CC[C@H]2C)c1,CHEMBL3235255,6.97
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccncc3)CC[C@H]2C)c1,CHEMBL3235256,7.59
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc[nH]c3=O)CC[C@H]2C)c1,CHEMBL3235257,7.62
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3c[nH]ccc3=O)CC[C@H]2C)c1,CHEMBL3235258,6.06
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)cn3)CC[C@H]2C)c1,CHEMBL3235259,6.68
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)n3)CC[C@H]2C)c1,CHEMBL3235260,7.74
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cc(CO)ccn3)CC[C@H]2C)c1,CHEMBL3235261,7.12
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)nc3)CC[C@H]2C)c1,CHEMBL3235262,6.47
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cncc(CO)c3)CC[C@H]2C)c1,CHEMBL3235263,6.97
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccnc(CO)c3)CC[C@H]2C)c1,CHEMBL3235264,7.12
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1,CHEMBL3235265,9.25
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1,CHEMBL3260823,8.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1,CHEMBL3260824,9.1
+Cc1nn(C)c2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)ncc12,CHEMBL3260825,8.35
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1,CHEMBL3260826,9.7
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1,CHEMBL3260827,9.3
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1,CHEMBL3260828,9.52
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)coc4n3)CC[C@H]2C)c1,CHEMBL3260829,8.74
+Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,CHEMBL3260830,8.74
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1,CHEMBL3260831,9.3
+C[C@@H]1CCN(c2nc(N)c3ccsc3n2)CCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3260832,9.05
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1,CHEMBL3260833,9.4
+Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1,CHEMBL3260834,9.15
+Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1,CHEMBL3260835,9.52
+Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,CHEMBL3260836,9.52
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,CHEMBL3338846,6.14
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,CHEMBL3338847,5.62
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,CHEMBL3338848,5.57
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,CHEMBL3338849,5.07
+COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,CHEMBL3338850,4.64
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2-c2ccccc2)nc1OC,CHEMBL3338851,4.82
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,CHEMBL3338852,6.0
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC,CHEMBL3338853,5.39
+COc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC,CHEMBL3338854,4.92
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC,CHEMBL3338855,5.07
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,CHEMBL3338856,5.4
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC,CHEMBL3338857,5.1
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC,CHEMBL3338858,4.51
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccnnc2)nc1OC,CHEMBL3338859,4.41
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cncc(F)c2)nc1OC,CHEMBL3338860,4.77
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCOCC2)nc1OC,CHEMBL3338861,5.82
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC,CHEMBL3338862,4.85
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC,CHEMBL3338863,4.74
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnn(C)c2)nc1OC,CHEMBL3338864,6.03
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,CHEMBL3338865,5.44
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2CNc2ccccc2)cc1OC,CHEMBL3343241,5.38
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccc2)cc1OC,CHEMBL3343242,8.14
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)NC2CCCCC2)cc1OC,CHEMBL3343243,5.52
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N(C)c2ccccc2)cc1OC,CHEMBL3343244,5.12
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N2CCCc3ccccc32)cc1OC,CHEMBL3343245,5.0
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,CHEMBL3343246,5.97
+O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1,CHEMBL3343247,5.16
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1,CHEMBL3341773,5.26
+COCc1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)ccc1OC,CHEMBL3343250,6.13
+COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,CHEMBL3343251,6.11
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)cc1OC,CHEMBL3343252,6.69
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)cc1OC,CHEMBL3343253,5.85
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC,CHEMBL3343254,6.54
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2nc(C)cs2)cc1OC,CHEMBL3343255,6.08
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)on2)cc1OC,CHEMBL3343256,6.3
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2nc3ccc(F)cc3[nH]2)cc1OC,CHEMBL3343257,6.97
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C#N)ccn2)cc1OC,CHEMBL3343258,6.99
+COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1OC,CHEMBL3343259,6.94
+O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,CHEMBL3394848,8.89
+COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12,CHEMBL3394847,9.39
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1,CHEMBL3394845,5.92
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cn[nH]n1,CHEMBL3394844,5.87
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1,CHEMBL3394843,4.72
+C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394842,6.02
+CC1CCC(Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394841,6.04
+CC1CCC(Oc2ccnc3c(Cl)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394840,6.29
+CC1CCC(Oc2ccnc3c(Br)cccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394839,5.96
+CC1CCC(Oc2ccnc3ccc(Br)cc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394838,6.33
+Cc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1,CHEMBL3394835,5.44
+CC1CCC(Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394834,6.12
+CC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394833,5.99
+CC1CCC(Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394832,5.57
+CC1CCC(Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394831,6.05
+CC1CCC(Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394830,6.38
+C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3394829,7.98
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1,CHEMBL3394828,7.89
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1,CHEMBL3394827,8.05
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(F)c(C)c3)C2)c1,CHEMBL3394826,6.97
+Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)c(C)c3)C2)c1,CHEMBL3394825,8.04
+C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426148,6.44
+C[C@@H]1CC[C@@H](Oc2cc(N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426147,5.85
+C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426146,6.46
+CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426145,7.41
+COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426144,6.85
+C[C@@H]1CC[C@@H](Oc2cc(I)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426143,7.23
+C[C@@H]1CC[C@@H](Oc2cc(Br)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426142,6.89
+C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426141,6.92
+C[C@@H]1CC[C@@H](Oc2cc(F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426140,6.37
+C[C@@H]1CC[C@@H](Oc2cc(C(=O)N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426139,6.33
+COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426138,6.51
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426137,6.085
+C#Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426136,7.31
+C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426135,7.19
+CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426134,7.24
+C[C@@H]1CC[C@@H](Oc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3426133,4.85
+Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,CHEMBL3426132,5.32
+Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,CHEMBL3426131,6.78
+Cc1ccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1,CHEMBL3426130,7.43
+Cc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1,CHEMBL3426129,7.92
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1,CHEMBL3426150,6.12
+Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1,CHEMBL3426149,5.78
+CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1,CHEMBL3586430,6.25
+COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1,CHEMBL3586431,6.59
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586432,5.79
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586433,5.64
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586434,5.71
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586435,5.24
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586436,6.1
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)n1,CHEMBL3586437,5.44
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586438,6.17
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1,CHEMBL3586439,5.51
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586440,6.46
+COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1,CHEMBL3586441,5.24
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(Cl)ccc4-n4nccn4)C[C@H]3C2)n1,CHEMBL3586442,5.33
+COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@H]2C1,CHEMBL3586413,5.16
+COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(Cl)cc5s4)C[C@H]3C2)c(OC)c1,CHEMBL3586414,5.28
+O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4s3)C[C@H]2C1,CHEMBL3586418,5.85
+O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1,CHEMBL3586419,6.03
+O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1,CHEMBL3586420,6.57
+O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1,CHEMBL3586421,6.12
+O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1,CHEMBL3586422,5.88
+O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1,CHEMBL3586425,6.21
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1,CHEMBL3586426,6.33
+Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1,CHEMBL3586427,5.74
+COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)ccc5ccccc45)C[C@H]3C2)n1,CHEMBL3586428,5.48
+COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,CHEMBL3586412,6.67
+COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,CHEMBL3338866,5.8
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1,CHEMBL3585948,7.41
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccc(F)n2)c(C)n1,CHEMBL3585947,6.86
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585946,6.86
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1,CHEMBL3585945,5.8
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1,CHEMBL3585944,6.41
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1,CHEMBL3585943,5.99
+COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,CHEMBL3585942,7.37
+Cc1cnc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585941,7.14
+CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,CHEMBL3585940,6.92
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585939,5.6
+CCn1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585938,6.77
+CCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585936,6.41
+Cc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,CHEMBL3585933,6.03
+Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1,CHEMBL3585949,6.91
+Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1,CHEMBL3585950,6.65
+Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,CHEMBL3585951,8.22
+COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F,CHEMBL3585952,8.52
+Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585953,7.09
+Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3545367,8.23
+Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585954,7.41
+Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585955,8.15
+Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,CHEMBL3585956,7.85
+Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,CHEMBL3585957,8.7
+O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1,CHEMBL3597951,6.41
+CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1,CHEMBL3597955,8.1
+Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(-c2ccccc2)s1,CHEMBL3597954,7.64
+Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1,CHEMBL3597953,10.22
+O=C(c1ccccc1-c1ncccn1)N1C2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3597965,7.72
+O=C(c1ccccc1-c1cccs1)N1C2CCC1[C@H](COc1ccc(F)cn1)C2,CHEMBL3597966,8.0
+O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2,CHEMBL3597967,7.92
+O=C(c1ccccc1-c1ncccn1)N1CC2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3597968,8.4
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1,CHEMBL3597969,8.1
+Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3597970,7.92
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3597971,5.975
+COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1,CHEMBL3623075,6.85
+COc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634017,6.1
+COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634014,5.64
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)[nH]nc2n1)c1ccccc1,CHEMBL3634019,6.7
+C[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634020,6.45
+Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634021,8.15
+Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1,CHEMBL3634022,6.96
+COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634013,7.975
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1,CHEMBL3634023,6.18
+Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccn4)nn(C)c3n2)cc1,CHEMBL3634024,8.4
+Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnccn4)nn(C)c3n2)cc1,CHEMBL3634025,7.28
+Cc1cc2c(cn1)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2,CHEMBL3634027,6.11
+Cc1n[nH]c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634015,8.41
+C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634018,6.76
+CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,CHEMBL3634006,6.99
+COc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,CHEMBL3634007,7.54
+Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1,CHEMBL3634026,6.11
+Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634028,7.2
+Cc1n[nH]c(C)c1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634008,8.4
+COc1ccccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,CHEMBL3634009,6.56
+COc1cccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1,CHEMBL3634010,7.7
+CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccn1,CHEMBL3634011,5.57
+CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1cccnc1,CHEMBL3634012,6.01
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3670604,7.19
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ccco4)CC32)n1,CHEMBL3670605,7.21
+O=C(c1ccccc1-c1cccs1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670607,8.1
+O=C(c1ccccc1-c1ccco1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670608,8.1
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4cccc4)CC32)n1,CHEMBL3670609,6.43
+O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665615,7.66
+Cc1ccc(-c2ccccc2C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)cc1,CHEMBL3670610,7.74
+O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nc4ccccc4o3)C2C1,CHEMBL3665616,6.84
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665617,6.18
+O=C(c1ccccc1Br)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670611,7.11
+O=C(c1ccccc1-c1cccnc1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670612,7.02
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665618,6.63
+COc1cccc(CO)c1C(=O)N1CCC2CN(c3nc4ccccc4o3)C2C1,CHEMBL3665619,6.34
+Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,CHEMBL3665620,6.6
+Cc1ccc(C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c(C)c1,CHEMBL3670613,6.42
+Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c1,CHEMBL3665621,5.92
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-c4ncccn4)CC32)n1,CHEMBL3670614,6.33
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-c4ncccn4)CC32)n1,CHEMBL3670615,6.21
+CCOc1ccc2ccccc2c1C(=O)N1CCC2CN(c3nc(C)cc(C)n3)C2C1,CHEMBL3670616,7.36
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)n1,CHEMBL3670619,6.38
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3670617,7.28
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3670618,6.84
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ncccn4)CC32)n1,CHEMBL3670620,6.48
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)n1,CHEMBL3670621,6.49
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)n1,CHEMBL3670622,6.01
+Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(C)n1,CHEMBL3670623,6.87
+O=C(c1cc(F)ccc1-c1ncccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670624,7.33
+Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670625,5.98
+Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670626,6.93
+CN(C)c1nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)cc(C(F)(F)F)n1,CHEMBL3670627,7.11
+O=C(c1ccccc1-n1nccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3670628,7.49
+Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670629,5.92
+Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)n1,CHEMBL3670630,6.36
+Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,CHEMBL3670631,6.4
+Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670632,6.32
+Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670633,6.32
+Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(N(C)C)n1,CHEMBL3670634,6.16
+CN(C)c1nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)cc(C(F)(F)F)n1,CHEMBL3670635,7.33
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665622,6.69
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665623,6.59
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665624,6.94
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665625,7.41
+Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1,CHEMBL3665626,6.36
+Cc1nc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c(-c2ccccc2F)s1,CHEMBL3665627,6.98
+COc1ccccc1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665628,5.43
+COc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)C2C1,CHEMBL3665629,5.46
+O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)[C@@H]2C1,CHEMBL3665630,6.56
+O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nccc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3665631,7.26
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665632,5.45
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,CHEMBL3665633,5.02
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,CHEMBL3665634,5.0
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665635,5.0
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,CHEMBL3665636,5.0
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,CHEMBL3665637,5.3
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,CHEMBL3665638,5.0
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(OC)cc(OC)n3)C2C1,CHEMBL3665639,6.09
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)C2C1,CHEMBL3665640,5.97
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC32)n1,CHEMBL3665641,5.02
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,CHEMBL3665642,6.65
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)C3C2)c1,CHEMBL3665643,5.3
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,CHEMBL3665644,6.89
+O=C(c1cc(F)ccc1-n1nccn1)C1CC[C@H]2CN(c3cnnc(Cl)c3)[C@H]2C1,CHEMBL3665645,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3665646,5.09
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1,CHEMBL3665647,5.0
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1,CHEMBL3665648,6.66
+Cc1ccc(C(=O)N2CC[C@H]3CN(c4nccc(C(F)(F)F)n4)[C@H]3C2)c(-n2ccnn2)n1,CHEMBL3665649,5.43
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3665650,5.0
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3665651,6.2
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3665652,5.23
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670507,5.3
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670508,5.31
+Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670509,5.38
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670510,5.06
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670511,5.18
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670512,5.0
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670513,5.0
+Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)cn1,CHEMBL3670514,5.45
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21,CHEMBL3670515,5.0
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3c(F)cccc3-n3nccn3)C[C@@H]21,CHEMBL3670516,5.0
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cc(F)ccc3-n3nccn3)C[C@@H]21,CHEMBL3670517,5.0
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccc(F)cc3-n3nccn3)C[C@@H]21,CHEMBL3670518,5.0
+Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cccc(F)c3-n3nccn3)C[C@@H]21,CHEMBL3670519,5.0
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670520,5.0
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670521,5.3
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670522,5.71
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670523,5.05
+Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670524,5.0
+O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670525,6.75
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670526,7.64
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,CHEMBL3670527,7.64
+O=C(c1ccccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670528,7.49
+O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670529,7.37
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670530,7.04
+O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670531,6.89
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,CHEMBL3670532,7.02
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670533,5.38
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670534,5.48
+Cc1cccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670535,5.26
+Cc1ccnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,CHEMBL3670536,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,CHEMBL3670537,5.99
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)[C@H]2C1,CHEMBL3670538,6.58
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670539,5.77
+Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc1,CHEMBL3670540,5.8
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1,CHEMBL3670541,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4cccn4)C[C@@H]32)n1,CHEMBL3670542,6.26
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670543,6.56
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4nccn4)C[C@@H]32)n1,CHEMBL3670544,6.87
+COc1cnc(C)nc1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1,CHEMBL3670545,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4nccnc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670546,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670547,5.78
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)ccn4)[C@H]3C2)c1,CHEMBL3670548,5.19
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1,CHEMBL3670549,5.97
+Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1-n1nccn1,CHEMBL3670550,5.05
+CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,CHEMBL3670551,5.0
+CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,CHEMBL3670552,5.0
+O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670553,5.48
+COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c(-n2nccn2)c1,CHEMBL3670554,5.05
+Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1-n1nccn1,CHEMBL3670555,6.1
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,CHEMBL3670556,6.07
+COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)c1,CHEMBL3670557,5.0
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1,CHEMBL3670558,5.0
+COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670559,6.47
+O=C(c1cccc(F)c1-c1ncccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,CHEMBL3670560,5.73
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,CHEMBL3670561,6.16
+COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,CHEMBL3670562,5.92
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4cccn4)C[C@@H]32)n1,CHEMBL3670563,5.82
+COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,CHEMBL3670564,6.07
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670565,5.41
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670566,5.49
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)nc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670567,5.0
+Cc1cnc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670568,5.22
+Cc1cnc(-n2ccnn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,CHEMBL3670569,5.35
+COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)n1,CHEMBL3670570,5.0
+COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2ccnn2)n1,CHEMBL3670571,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4Br)C[C@@H]32)n1,CHEMBL3670572,5.41
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cncnc4)C[C@@H]32)n1,CHEMBL3670573,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccc(N(C)C)nc4)C[C@@H]32)n1,CHEMBL3670574,5.42
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]32)n1,CHEMBL3670575,6.66
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1,CHEMBL3670576,5.14
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1,CHEMBL3670577,5.8
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cc[nH]n4)C[C@@H]32)n1,CHEMBL3670578,6.41
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]32)n1,CHEMBL3670579,5.9
+Cc1ccc(-c2sc(C)nc2C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)cc1,CHEMBL3670580,5.67
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]nc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670581,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(-c5ccccc5)noc4C)C[C@@H]32)n1,CHEMBL3670582,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]32)n1,CHEMBL3670583,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4ccccc4F)C[C@@H]32)n1,CHEMBL3670584,5.62
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1,CHEMBL3670585,5.15
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4cc(C)on4)C[C@@H]32)n1,CHEMBL3670586,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4snnc4C)C[C@@H]32)n1,CHEMBL3670587,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4Br)C[C@@H]32)n1,CHEMBL3670588,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@H]32)n1,CHEMBL3670589,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670590,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4cc[nH]n4)C[C@@H]32)n1,CHEMBL3670591,6.81
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)n1,CHEMBL3670592,6.22
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,CHEMBL3670593,5.0
+CNc1nc(C)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3670594,5.0
+Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccn(C)n4)C[C@@H]32)n1,CHEMBL3670595,5.89
+CN(C)c1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670596,5.39
+CNc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670597,5.0
+Cc1nc(N)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,CHEMBL3639694,5.0
+Nc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,CHEMBL3670598,5.0
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,CHEMBL3670599,5.0
+O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(NC4CC4)ncn3)[C@H]2C1,CHEMBL3670600,5.0
+Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5ccccc5)n4)[C@H]3C2)c1,CHEMBL3670601,7.8
+O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3670602,7.85
+Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,CHEMBL3670603,5.59
+O=C1N(Cc2cccc3nonc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669493,5.94
+Cc1nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c(-c2cccc(F)c2)s1,CHEMBL3669490,6.36
+O=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669554,6.01
+Cc1onc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669463,5.81
+O=C1N(Cc2ccccc2C(F)(F)F)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669453,5.56
+O=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669436,7.08
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3c1)CC2,CHEMBL3669469,5.98
+O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669435,5.87
+Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12,CHEMBL3669568,6.94
+O=C1N(Cc2ccccc2-n2nccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669470,5.68
+O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669555,6.13
+Cn1cc(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c2cccnc21,CHEMBL3669549,6.13
+O=C1N(Cc2cccc(-n3nccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669578,6.8
+O=C1N(Cc2cccc(-c3ccccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669473,6.38
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc3nccnc3cn1)CC2,CHEMBL3669571,6.18
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncc3ccccc3n1)CC2,CHEMBL3669573,6.02
+O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669434,6.32
+Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)o1,CHEMBL3669553,7.03
+Cc1ccc(-n2nccn2)cc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669535,6.01
+N=C(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,CHEMBL3669536,6.9
+O=C1N(Cc2cccc(-c3ccccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669452,6.29
+Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1,CHEMBL3669546,6.18
+O=C1N(Cc2cccc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669478,6.41
+O=C1N(Cc2ccc3c(c2)OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669438,5.91
+O=C1N(Cc2c[nH]c3ncccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669476,5.99
+Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21,CHEMBL3669467,7.19
+Cc1cc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc2[nH]1,CHEMBL3669443,6.44
+O=C1N(Cc2cccc(-c3cnccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669483,6.45
+O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669542,6.18
+O=C1N(Cc2cccc(-c3ncccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669479,6.43
+O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669441,5.61
+Cc1nc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)no1,CHEMBL3669508,6.37
+O=C1N(Cc2cccc3cccnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669451,5.75
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc3ccccc3n1)CC2,CHEMBL3669564,6.24
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2,CHEMBL3669560,6.21
+O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669457,6.13
+COc1cccc(-n2cncc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669519,5.89
+O=C1N(Cc2cccc(-n3ccnn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669468,5.96
+O=C1N(Cc2cc3ccccc3[nH]2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669529,5.6
+O=C1C(Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2,CHEMBL3669577,6.59
+Cc1noc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)n1,CHEMBL3669512,6.0
+O=C1N(Cc2cccc(-n3cccn3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669498,5.76
+Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669445,5.86
+O=C1N(Cc2cccc3c2OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669439,6.04
+O=C1N(Cc2cccc3nsnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669521,5.87
+O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669444,6.02
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,CHEMBL3669557,5.81
+Cn1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc21,CHEMBL3669537,6.37
+Cc1ccc(N)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669532,5.64
+O=C1N(Cc2ccnc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669481,6.05
+O=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669506,6.65
+O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,CHEMBL3669459,5.77
+CN1CCc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669551,5.4
+Cc1nc2ccccn2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669488,5.67
+Cn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669516,5.85
+CN1CCOc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669550,5.49
+COc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1,CHEMBL3669460,5.43
+N=C(/C=C\c1ncc[nH]1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,CHEMBL3669572,5.62
+Cc1noc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669461,5.89
+O=C1N(Cc2cc(-n3cccn3)ccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669534,5.63
+Cc1oc(-c2ccoc2)nc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669524,5.42
+CC(=N)OC(=N)c1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cc1,CHEMBL3669517,5.5
+O=C1N(Cc2cncn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669526,5.74
+O=C1CCCC2(CCN(c3nnc(-c4ccccc4)o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669543,6.29
+O=C1N(Cc2ccnc(Br)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669489,5.51
+N#Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccc1F,CHEMBL3669505,5.77
+Cc1ncc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2c1OC(C)(C)OC2,CHEMBL3669525,5.62
+O=C1N(Cc2cc(=O)[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669507,5.62
+O=C1N(Cc2cccc3cnccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669474,6.03
+Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c2ccccc12,CHEMBL3669561,5.77
+O=C1N(Cc2cnc3ccccn23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669487,5.47
+Cc1cccc(-c2sc(C)nc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669486,5.96
+N=CC(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccn1,CHEMBL3669494,5.67
+Cc1oc(-c2cscn2)nc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669522,5.42
+O=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669475,5.69
+O=C1N(Cc2cccc(-c3ccncc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669477,6.24
+CNc1ccccc1C(=N)CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669548,6.03
+COCc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669495,5.52
+Cc1cc(C)cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669446,5.92
+O=C1N(Cc2cccc(N3CCCC3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669511,5.6
+O=C1CC2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12,CHEMBL3669566,5.9
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,CHEMBL3669558,6.19
+O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669544,5.42
+Cc1nc(-c2ccccc2)oc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669527,5.72
+N#Cc1ccc(F)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3639683,5.96
+O=C1N(Cc2cc(Cl)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669501,5.81
+COc1ccccc1-n1ccnc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669520,5.45
+Cn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,CHEMBL3669456,6.21
+Cc1cc(-n2cccn2)nc(N2CCC3(CCNC(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,CHEMBL3669576,5.86
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nnc(-c3ccccc3)s1)CC2,CHEMBL3669575,5.61
+O=C1N(Cc2nccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669504,5.88
+Cc1[nH]c2ccccc2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669540,5.94
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-c3ccccc3)ncn1)CC2,CHEMBL3669569,6.33
+COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1F,CHEMBL3669510,5.61
+COc1ccnc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC,CHEMBL3669502,5.54
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3o1)CC2,CHEMBL3669466,5.99
+N#Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669531,6.03
+CNc1c(C=N)cccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669515,6.14
+O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc12,CHEMBL3669545,6.27
+O=C1N(Cc2cccc3c2OCCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669539,5.5
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccncc3)n1)CC2,CHEMBL3669570,5.93
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ncccc12,CHEMBL3669547,5.7
+Cc1nc2ccccc2nc1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,CHEMBL3669574,5.74
+Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc2n1,CHEMBL3669462,5.63
+O=C1N(Cc2noc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669465,6.23
+N#Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669503,5.51
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3[nH]ccc13)CC2,CHEMBL3669559,5.82
+O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1noc2ccccc12,CHEMBL3669541,7.62
+O=C1N(Cc2ccc(-c3ncccn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669509,5.55
+Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1C,CHEMBL3669447,5.76
+O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669484,5.77
+O=C1N(Cc2cc(F)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669528,6.15
+O=C1N(Cc2cncn2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669518,5.38
+O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2,CHEMBL3669472,5.87
+CC(c1c[nH]c2ccccc12)N1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,CHEMBL3669491,6.17
+O=C1N(Cc2cccc3c2CCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,CHEMBL3669533,5.9
+Cc1ccc(C)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,CHEMBL3669450,6.02
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659176,7.39
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3659177,7.68
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3659178,7.677
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659179,7.763
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1,CHEMBL3659182,6.93
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)c1,CHEMBL3659183,7.3
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1,CHEMBL3659184,7.25
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c1,CHEMBL3659185,7.7
+Cc1ccnc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)c1,CHEMBL3659186,7.39
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C)n2)C3)c1,CHEMBL3659187,7.92
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1,CHEMBL3659188,7.985
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cnc2C)C3)c1,CHEMBL3659189,6.57
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc4ccccc4nc2C(F)(F)F)C3)c1,CHEMBL3659190,6.52
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659191,7.33
+O=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659192,6.49
+O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659193,6.91
+Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659194,7.13
+O=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659195,6.93
+O=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659196,6.17
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659197,7.85
+Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ccccc2F)s1,CHEMBL3659198,7.96
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659199,7.33
+O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659200,7.48
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3659201,7.68
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,CHEMBL3659202,8.05
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659203,7.22
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659204,7.24
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,CHEMBL3659205,7.15
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3659206,6.745
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,CHEMBL3659207,6.92
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,CHEMBL3659208,7.54
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1,CHEMBL3659209,5.3
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,CHEMBL3659210,7.46
+CCOc1ccccc1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,CHEMBL3659211,5.89
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1,CHEMBL3659212,6.65
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1,CHEMBL3639580,6.4
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,CHEMBL3659213,7.1
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)n1,CHEMBL3659214,7.09
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1,CHEMBL3659217,7.16
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C)C3)n1,CHEMBL3659223,6.82
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2)C3)n1,CHEMBL3659226,6.93
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,CHEMBL3659230,7.34
+Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659231,7.6
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659232,7.62
+Cc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659234,6.53
+Cc1ccc(-n2ccc(C)n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659235,7.16
+Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659236,7.66
+Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1,CHEMBL3659237,7.19
+Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3659238,7.21
+Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1,CHEMBL3659240,6.79
+CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3659243,8.15
+Cn1cc(-c2ccccc2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663384,7.18
+CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663390,8.035
+COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663395,7.31
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663396,8.0
+Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1,CHEMBL3663399,7.96
+Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663400,7.14
+Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1,CHEMBL3663401,6.7
+Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1,CHEMBL3663403,7.12
+Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663404,7.49
+COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663413,7.92
+O=C(c1cc(F)ccc1-c1cc[nH]n1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663414,7.7
+Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663415,7.17
+COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,CHEMBL3663418,7.32
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663419,7.11
+O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663420,6.6
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663421,7.09
+O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663424,7.85
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663425,7.17
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ncccn2)c1,CHEMBL3663426,6.81
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663428,7.28
+Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1,CHEMBL3663429,7.54
+O=C(c1cc(CO)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663430,7.57
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,CHEMBL3663431,6.72
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1,CHEMBL3663432,5.24
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663433,6.72
+Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2ccnn2)n1,CHEMBL3663434,5.43
+Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,CHEMBL3663435,5.0
+Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,CHEMBL3663436,5.0
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1,CHEMBL3663437,5.85
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2,CHEMBL3663438,5.82
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1,CHEMBL3663439,5.27
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1,CHEMBL3663440,5.17
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1,CHEMBL3663441,6.02
+Cc1ccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)nc1,CHEMBL3663442,6.22
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,CHEMBL3663443,5.36
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,CHEMBL3663444,5.51
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,CHEMBL3663445,6.55
+Cc1cccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,CHEMBL3663446,6.68
+Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,CHEMBL3663447,5.41
+Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,CHEMBL3663448,5.44
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)n1,CHEMBL3663449,6.47
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2,CHEMBL3663450,6.74
+Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1,CHEMBL3663451,5.2
+Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)n1,CHEMBL3663452,6.66
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,CHEMBL3663453,6.74
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,CHEMBL3663454,5.0
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,CHEMBL3663455,5.0
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,CHEMBL3663456,5.96
+Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,CHEMBL3663457,6.16
+CCOc1ncc(Br)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663460,6.87
+CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,CHEMBL3663466,6.82
+CCOc1ccccc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,CHEMBL3663467,6.39
+Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1,CHEMBL3663468,5.64
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1ccccn1)C2,CHEMBL3663469,5.05
+Cc1cc(C)nc(NCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,CHEMBL3639623,5.71
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1nccc(C(F)(F)F)n1)C2,CHEMBL3663470,5.71
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1cccc(C(F)(F)F)n1)C2,CHEMBL3663471,6.16
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cc(C)nc(C(F)(F)F)n2)C3)c1,CHEMBL3663476,7.48
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663477,7.507000000000001
+Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663478,6.46
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,CHEMBL3663480,6.79
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,CHEMBL3663481,7.32
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,CHEMBL3663489,7.43
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663490,7.21
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,CHEMBL3663491,5.05
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2c(F)cccc2-n2nccn2)n1,CHEMBL3663492,5.85
+Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccc(F)cc2-n2nccn2)n1,CHEMBL3663493,5.79
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,CHEMBL3663498,7.6
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,CHEMBL3663499,7.3
+CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,CHEMBL3663501,7.02
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,CHEMBL3663502,7.52
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2,CHEMBL3663505,7.26
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1nc3cc(Cl)ccc3o1)C2,CHEMBL3663510,7.15
+Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,CHEMBL3663511,7.4
+Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,CHEMBL3663514,7.59
+O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663515,6.7
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663522,7.8
+CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663523,7.72
+COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,CHEMBL3663525,6.8
+COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663526,7.39
+O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663527,7.35
+Cc1nc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ccc(F)cc2)s1,CHEMBL3663528,7.34
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663529,8.15
+CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663530,7.77
+Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1,CHEMBL3663532,6.92
+COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1,CHEMBL3663533,7.27
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663536,7.57
+O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663537,6.82
+Cc1noc(-c2c(F)cccc2C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,CHEMBL3663538,7.7
+COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1,CHEMBL3663539,7.54
+O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663540,7.22
+O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663541,6.99
+O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663542,7.32
+O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663544,8.0
+O=C(c1cccc(F)c1-c1cccnn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663546,6.76
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1cccnn1,CHEMBL3663547,7.39
+O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663549,7.64
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663550,8.15
+O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663551,7.21
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663553,6.95
+O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663555,7.38
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663556,7.59
+Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1,CHEMBL3663557,7.92
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1I,CHEMBL3663560,7.01
+Cc1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1,CHEMBL3663562,7.11
+O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663563,7.43
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1,CHEMBL3663564,7.77
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663566,8.05
+O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,CHEMBL3663567,7.57
+O=C(c1ncccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663569,6.89
+COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663570,7.49
+O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663571,7.72
+CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,CHEMBL3663572,7.46
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1,CHEMBL3663574,7.43
+O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,CHEMBL3663575,7.82
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1,CHEMBL3663576,8.1
+Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1,CHEMBL3663577,8.22
+Cc1cc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)nc(C(F)(F)F)n1,CHEMBL3639645,5.27
+C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672926,5.65
+C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672936,7.26
+Cc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,CHEMBL3672934,5.95
+C[C@@H]1CS[C@@H](COc2ccc(C#N)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672938,6.46
+C[C@@H]1CS(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672924,5.85
+C[C@@H]1CS[C@@H](COc2ccc(C(F)(F)F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672930,6.92
+Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl,CHEMBL3672933,7.0
+C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672937,8.1
+C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672929,8.24
+Cc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1,CHEMBL3672928,7.6
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)SC[C@H]2C)c1,CHEMBL3672927,9.08
+C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672925,6.59
+C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1,CHEMBL3672931,7.12
+Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)c1,CHEMBL3672932,6.96
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C#N)cc1-n1nccn1,CHEMBL3642132,4.46
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Br)ccc1-n1nccn1,CHEMBL3642129,6.58
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-c1ncccn1,CHEMBL3642146,5.77
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-n1nccn1,CHEMBL3642122,5.54
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Cl)ccc1-n1nccn1,CHEMBL3642121,5.25
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-c1ncccn1,CHEMBL3642147,6.06
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1,CHEMBL3642142,5.98
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1,CHEMBL3642133,4.9
+Cc1nsc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,CHEMBL3642127,4.46
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-c1ncccn1,CHEMBL3642145,5.9
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-n1nccn1,CHEMBL3642135,5.75
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-c1ncccn1,CHEMBL3642144,5.57
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1,CHEMBL3642148,6.18
+Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,CHEMBL3642123,5.9
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-n1nccn1,CHEMBL3642128,5.27
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1nscc1-n1nccn1,CHEMBL3642125,4.89
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1,CHEMBL3642124,5.45
+CCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,CHEMBL3642134,4.63
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OC(F)F)cc1-n1nccn1,CHEMBL3642137,4.62
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCF)cc1-n1nccn1,CHEMBL3642136,5.11
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-n1nccn1,CHEMBL3642120,5.72
+Cc1cccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c1-n1nccn1,CHEMBL3642118,6.17
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(Cl)n1,CHEMBL3642141,5.55
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cn(C)nc1-n1nccn1,CHEMBL3642126,5.25
+COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,CHEMBL3642130,5.25
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCCO)cc1-n1nccn1,CHEMBL3642138,5.02
+Cc1cccc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,CHEMBL3642119,6.03
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(C(N)=O)ccc1-n1nccn1,CHEMBL3642131,5.89
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1,CHEMBL3642140,5.02
+C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-c1ncccn1,CHEMBL3642149,6.03
+Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,CHEMBL3642139,5.02
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669037,7.6
+COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1,CHEMBL3704940,8.0
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669030,8.15
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1,CHEMBL3704929,7.4
+C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3669010,6.95
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669031,7.62
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669042,7.42
+Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)[C@H]2C)nc(C(F)(F)F)n1,CHEMBL3704932,5.17
+C[C@H]1[C@H](Nc2cnc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704967,7.96
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704927,7.11
+C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704957,7.8
+Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1,CHEMBL3704941,8.1
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3704934,5.05
+C[C@H]1[C@H](Nc2ncc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704958,7.92
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704928,6.25
+C[C@H]1[C@H](Nc2nccc(C(F)(F)F)n2)CCCN1C(=O)c1c(F)cccc1-n1nccn1,CHEMBL3704933,6.5
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,CHEMBL3704949,7.05
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2cnc3ccccc3n2)[C@@H]1C,CHEMBL3704968,7.15
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1,CHEMBL3704925,6.4
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncccn2)c1,CHEMBL3704947,7.59
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704939,7.96
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669028,7.26
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1,CHEMBL3704942,7.6
+COc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669043,6.99
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1,CHEMBL3669022,7.002999999999999
+Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669048,6.35
+COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c1,CHEMBL3669038,8.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,CHEMBL3704931,6.34
+Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704943,7.72
+Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,CHEMBL3704956,7.15
+COc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669033,7.24
+C[C@H]1[C@H](Nc2nc3ccccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704960,8.05
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669047,7.82
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669044,7.33
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3704936,8.1
+C[C@H]1[C@H](Nc2ncc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704950,7.27
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3669029,7.24
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669023,7.92
+C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704951,7.92
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669024,7.54
+Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,CHEMBL3640038,6.92
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669034,7.28
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)n1,CHEMBL3669032,7.64
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)n1,CHEMBL3669026,7.4
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1C,CHEMBL3704965,6.82
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-n3nccn3)[C@H]2C)n1,CHEMBL3704926,5.97
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2ccnn2)n1,CHEMBL3669027,7.21
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669041,7.74
+C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3669050,7.01
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,CHEMBL3704930,6.9
+C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704954,7.54
+COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669045,7.49
+C[C@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704964,7.59
+Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669049,7.6
+C[C@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704961,8.0
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3669035,7.55
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669025,7.68
+C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,CHEMBL3669039,7.72
+CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,CHEMBL3704963,7.14
+Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3669051,6.76
+Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3-n3nccn3)[C@H]2C)n1,CHEMBL3704924,5.99
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,CHEMBL3704945,7.8
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704952,6.8
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3669040,7.32
+Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,CHEMBL3704944,7.64
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,CHEMBL3704946,7.85
+CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,CHEMBL3704938,7.42
+Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1,CHEMBL3669046,7.92
+Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1,CHEMBL3669036,6.6
+C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,CHEMBL3704935,7.96
+Cc1cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)nc(C)n1,CHEMBL3649207,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4C)CC3C2)n1,CHEMBL3652507,5.0
+Cc1ncnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652450,5.0
+CCCOc1cccnc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652490,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649120,6.18
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3C2)n1,CHEMBL3649177,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ncccn4)CC3C2)n1,CHEMBL3649191,5.0
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccc(F)cc4s3)CC2C1,CHEMBL3646197,6.53
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)ncc1F,CHEMBL3652437,5.67
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,CHEMBL3649032,5.51
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4s3)CC2C1,CHEMBL3649129,5.75
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,CHEMBL3649033,5.58
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646196,6.14
+Cc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649061,6.74
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)CC3C2)n1,CHEMBL3652461,6.02
+COc1ccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)nc1,CHEMBL3649086,5.05
+Cc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649183,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4Br)CC3C2)n1,CHEMBL3649190,5.0
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649128,6.07
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649049,5.58
+COc1ccnc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649119,5.61
+Cc1cc(C(=O)O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649217,5.0
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3649050,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4Br)CC3C2)n1,CHEMBL3652483,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cnnc4)CC3C2)n1,CHEMBL3649216,5.0
+Cc1cc(C(=O)N(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649220,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,CHEMBL3649103,5.63
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649096,5.0
+Cc1cccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652525,5.0
+CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649071,6.46
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(C)C)n1,CHEMBL3649044,5.17
+Cc1cc(C#N)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649231,5.8
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,CHEMBL3649024,5.64
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccnc45)CC3C2)n1,CHEMBL3646162,5.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3649112,6.3
+CCCOc1cccnc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652492,5.0
+Cc1ccoc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652497,5.0
+COc1ccc(C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652513,5.66
+CN(C)c1nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649072,6.82
+COc1cc(C)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649228,5.0
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649075,5.51
+CCc1c(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc1C,CHEMBL3652469,6.42
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)c1,CHEMBL3652436,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646203,5.05
+Cc1ccoc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652496,5.0
+Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)nc(C)c1C,CHEMBL3649195,6.76
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnccc4-n4ccnn4)CC3C2)n1,CHEMBL3652476,5.0
+Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)cc1,CHEMBL3649153,6.09
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1OC,CHEMBL3649225,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-n4nccn4)CC3C2)n1,CHEMBL3649194,5.0
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,CHEMBL3649025,6.16
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccc4F)CC3C2)n1,CHEMBL3652491,5.74
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4F)CC3C2)n1,CHEMBL3646204,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4I)CC3C2)n1,CHEMBL3649188,5.68
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,CHEMBL3649150,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649037,5.37
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)n1,CHEMBL3652512,5.8
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2C1,CHEMBL3649232,7.15
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1Cl,CHEMBL3652467,7.27
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc2c1CCC2,CHEMBL3652460,6.89
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(Cl)cc4-n4nccn4)CC3C2)n1,CHEMBL3649089,5.9
+Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1,CHEMBL3652495,5.51
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652445,6.8
+Cc1cnc(C)c(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649172,5.3
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646170,7.11
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652453,5.64
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3646189,6.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649038,5.03
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649144,6.06
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ccccn4)CC3C2)n1,CHEMBL3652504,6.08
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3652520,6.36
+Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-c4ccccc4)CC3C2)n1,CHEMBL3646163,5.36
+COc1ccc(C(=O)N2CC3CN(c4ncc5cc(F)ccc5n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652521,6.16
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3646188,6.86
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649074,7.05
+COc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646155,6.35
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649064,6.33
+COc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646156,7.2
+Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649060,6.56
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4C)CC3C2)n1,CHEMBL3649176,5.0
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649087,7.12
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncco4)CC3C2)n1,CHEMBL3652505,5.92
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C)c1C,CHEMBL3652452,6.11
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649117,5.3
+Cc1ccnc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652526,5.0
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649026,5.66
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649229,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C)CC3C2)n1,CHEMBL3649182,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)CC3C2)n1,CHEMBL3652475,5.2
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)c1,CHEMBL3649097,5.05
+Cc1nc(N2CC3CN(C(=O)c4ccccc4C4=NN(C)CN4)CC3C2)ncc1Cl,CHEMBL3652468,6.09
+Cc1nc(=O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]1,CHEMBL3649206,5.0
+Cc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649118,5.3
+Cc1ccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3649204,5.85
+COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,CHEMBL3649031,6.65
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649066,5.44
+Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)cc1,CHEMBL3649155,6.19
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccc(C)cc4)CC3C2)n1,CHEMBL3646205,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4OC(F)(F)F)CC3C2)n1,CHEMBL3649226,5.05
+CCOc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649051,5.05
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3cccs3)CC2C1,CHEMBL3649028,6.68
+Cc1cccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652506,5.1
+Cc1cnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)c(C)n1,CHEMBL3649027,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652519,5.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc(Cl)ncc3F)CC2C1,CHEMBL3652438,5.0
+Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3649196,6.34
+COc1ccc(C(C)(C)C)cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652477,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649218,5.05
+COc1ccnc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649111,5.3
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1,CHEMBL3652466,6.27
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,CHEMBL3649104,6.82
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4C(F)(F)F)CC3C2)n1,CHEMBL3649189,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649035,5.05
+CN(C)c1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649082,7.38
+O=C(c1ccccc1Br)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646193,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4C)CC3C2)n1,CHEMBL3649175,5.0
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646202,5.0
+Cc1nccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649170,5.0
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649126,6.12
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c1,CHEMBL3649088,7.4
+COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649211,6.03
+COc1cccc(OC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652494,5.0
+O=C(c1cccc(F)c1Br)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649203,5.36
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649115,5.05
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649164,6.77
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649099,6.64
+CN(C)c1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646160,6.16
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649121,5.27
+Cc1cc(N2CCOCC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652451,5.0
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,CHEMBL3646207,6.1
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)CC3C2)n1,CHEMBL3652462,5.55
+COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)cc1OC,CHEMBL3652488,5.0
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,CHEMBL3649065,5.64
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1Cl,CHEMBL3652463,6.51
+Cc1cc(=O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]1,CHEMBL3649233,5.0
+COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)nc(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652524,5.92
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1,CHEMBL3646190,5.0
+CN(C)c1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646157,6.81
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncnn4C)CC3C2)n1,CHEMBL3652454,5.0
+Cc1ccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3652527,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-n4cccc4)CC3C2)n1,CHEMBL3646159,5.0
+CCc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649039,5.0
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3652470,5.61
+Cc1nc(=O)cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)[nH]1,CHEMBL3649209,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646194,6.37
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1F,CHEMBL3652440,5.66
+CCCOc1ncccc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652517,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,CHEMBL3649168,5.0
+O=C(c1ccccc1-n1cccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646169,5.9
+Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3649173,5.0
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649199,6.45
+COc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649161,5.0
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,CHEMBL3649135,5.86
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4cc(C(C)C)ccc4-n4nccn4)CC3C2)n1,CHEMBL3652447,5.55
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4ccnn4)CC3C2)n1,CHEMBL3649165,5.0
+COc1cccc(OC)c1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652493,5.0
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(F)cc4s3)CC2C1,CHEMBL3649136,6.03
+O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646192,5.6
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c1,CHEMBL3649201,6.43
+COc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652443,6.63
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1,CHEMBL3652478,5.42
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C)nc(C(F)(F)F)n4)CC3C2)c1,CHEMBL3649073,6.91
+COc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646200,5.77
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,CHEMBL3649109,6.02
+COc1ccccc1S(=O)(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3652502,5.57
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4nccn4)CC3C2)n1,CHEMBL3649213,5.05
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4nc3C(F)(F)F)CC2C1,CHEMBL3649057,6.07
+COc1ccnc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,CHEMBL3649021,5.3
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1C,CHEMBL3652441,6.9
+O=C(O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649215,5.0
+COc1ccc(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652522,6.31
+Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649085,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)n1,CHEMBL3649193,5.08
+Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3652446,6.41
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(C)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649090,5.81
+Cc1cncc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649171,5.0
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,CHEMBL3649167,5.0
+Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646176,6.79
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,CHEMBL3649114,5.58
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3639479,5.02
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4F)CC3C2)n1,CHEMBL3652511,5.5
+CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649070,7.19
+CCOc1ccc(OCC)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649184,5.0
+CCc1c(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc1C,CHEMBL3652518,5.43
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3646195,5.0
+COc1ccc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c(OC)c1,CHEMBL3649127,5.55
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(Cl)c4)CC3C2)n1,CHEMBL3646206,5.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3C2)n1,CHEMBL3649052,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,CHEMBL3649093,5.15
+Cc1nc(=O)cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)[nH]1,CHEMBL3649210,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)n1,CHEMBL3652479,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,CHEMBL3649053,5.76
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)n1,CHEMBL3652455,5.76
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4OCCCO5)CC3C2)n1,CHEMBL3639513,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1,CHEMBL3646164,5.0
+O=C(c1cccc2c1OCCO2)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646172,5.96
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,CHEMBL3646199,5.0
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc(F)cn3)CC2C1,CHEMBL3652439,5.0
+Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)nc(C)c1C,CHEMBL3649205,5.83
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,CHEMBL3649036,7.16
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,CHEMBL3649079,5.73
+Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649080,5.45
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646173,6.52
+Cc1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C,CHEMBL3652442,5.96
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C#N)CC3C2)n1,CHEMBL3649162,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccc4F)CC3C2)n1,CHEMBL3652528,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)n1,CHEMBL3649179,5.0
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cccc(C(F)(F)F)n3)CC2C1,CHEMBL3649094,6.41
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4ccnn4)CC3C2)n1,CHEMBL3649219,5.0
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649124,6.14
+O=C(c1ccccc1-n1cccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646174,6.17
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,CHEMBL3646184,6.31
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)nc2ccccc12,CHEMBL3649138,6.12
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649212,6.47
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646198,5.95
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3649200,6.18
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,CHEMBL3649056,5.3
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649107,6.86
+Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)n1,CHEMBL3649208,5.0
+Cc1cc(C)nc(N2CC3CN(S(=O)(=O)c4ccccc4-c4ccccc4)CC3C2)n1,CHEMBL3652499,5.0
+COc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649116,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4nccn4)CC3C2)n1,CHEMBL3649227,5.0
+COc1ccccc1C(=O)N1CC2CN(c3nccc(C)n3)CC2C1,CHEMBL3649160,5.0
+COc1ccnc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,CHEMBL3646208,5.63
+COc1ccc(C(=O)N2CC3CN(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652515,6.69
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1nccn1,CHEMBL3649237,5.0
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3649240,5.79
+O=C(c1ccccc1-c1cccnc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649141,5.05
+COc1ccc(C(=O)N2CC3CN(c4ncc(Cl)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652514,6.29
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1C,CHEMBL3649055,5.05
+Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)CC3C2)c1,CHEMBL3649069,7.1
+CCc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652444,6.58
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)ccc5c4OCO5)CC3C2)n1,CHEMBL3652474,5.26
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649091,5.46
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ncoc4-c4ccccc4)CC3C2)n1,CHEMBL3649042,5.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4F)CC3C2)n1,CHEMBL3649223,5.0
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649102,6.38
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649100,7.08
+COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2ncccn2)c1,CHEMBL3649224,6.22
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649046,5.75
+Cc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,CHEMBL3646201,5.0
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1Cl,CHEMBL3652471,6.41
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cncn4)CC3C2)n1,CHEMBL3649166,5.0
+COc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1,CHEMBL3649023,5.58
+CN(C)c1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646154,6.9
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4ccnn4)CC3C2)n1,CHEMBL3652482,5.0
+Cc1ccnc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652489,5.54
+COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c1,CHEMBL3649197,6.01
+Cc1cc(-c2ccco2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649234,5.84
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649110,6.85
+Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C)n1,CHEMBL3649076,5.0
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3649081,5.54
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,CHEMBL3649030,5.0
+Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3646183,5.05
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4Cl)CC3C2)n1,CHEMBL3649186,5.0
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)n1,CHEMBL3652456,6.38
+CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649068,6.67
+CCOc1cccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649108,5.53
+Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1F,CHEMBL3652472,5.78
+O=C(c1ccccc1-c1cccc(F)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646180,6.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,CHEMBL3649084,5.0
+COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1ccnn1,CHEMBL3649238,5.0
+COC(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649214,5.0
+O=C(c1ccccc1-c1ccc(F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646179,5.75
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(Cl)c(C)n4)CC3C2)n1,CHEMBL3652465,7.05
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3ccccc3)CC2C1,CHEMBL3649029,6.38
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(I)ccc4-n4nccn4)CC3C2)n1,CHEMBL3649067,5.61
+COc1ccc(C(=O)N2CC3CN(c4nc5ccc(F)cc5s4)CC3C2)c(OC)c1,CHEMBL3646167,5.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC2C1,CHEMBL3649174,5.97
+COc1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652501,5.0
+Cc1ccnc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3652509,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ccccn4)CC3C2)n1,CHEMBL3652503,5.72
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ncccc3C(F)(F)F)CC2C1,CHEMBL3649101,5.81
+COc1ccccc1S(=O)(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652500,5.0
+CCc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646186,5.36
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1,CHEMBL3649192,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4F)CC3C2)n1,CHEMBL3649230,5.0
+O=C(c1cccc2cc[nH]c12)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646187,5.84
+COc1c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)ccc2ccccc12,CHEMBL3652486,5.0
+Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3nnc[nH]3)CC2C1,CHEMBL3649058,6.11
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4-c4ccccc4C5)CC3C2)n1,CHEMBL3652473,6.82
+COc1ccnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649122,5.3
+Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)n1,CHEMBL3652457,5.3
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnoc4-c4ccccc4)CC3C2)n1,CHEMBL3649043,5.05
+COc1cc(Br)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)cc1OC,CHEMBL3652480,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1,CHEMBL3652508,5.1
+CCCc1nc(C)cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649169,5.0
+Cc1ccc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,CHEMBL3649180,5.0
+COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)ncn4)CC3C2)c(-n2nccn2)c1,CHEMBL3652523,5.0
+Cc1ccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,CHEMBL3652510,5.98
+O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649158,5.7
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccnn4-c4ccccc4)CC3C2)n1,CHEMBL3646161,5.17
+COc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646158,6.86
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc4ccccc4o3)CC2C1,CHEMBL3649105,6.27
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,CHEMBL3649202,6.68
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncco4)CC3C2)n1,CHEMBL3652530,5.92
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,CHEMBL3649041,5.0
+O=C(c1ccccc1-n1cccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646175,5.81
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccn4)CC3C2)n1,CHEMBL3649187,5.79
+COc1cc2ccccc2cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3652484,5.0
+CN(C)C(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,CHEMBL3649221,5.0
+CCOc1ccccc1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,CHEMBL3649022,5.05
+COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,CHEMBL3649047,5.88
+O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3646182,6.19
+Cc1cccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,CHEMBL3652481,5.49
+Cc1cc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,CHEMBL3649222,5.0
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649106,7.15
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649059,5.61
+Cc1cc(C2CC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652449,6.76
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC3C2)n1,CHEMBL3649045,5.0
+Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1Cl,CHEMBL3652464,7.47
+COc1cccc(OC)c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649125,5.33
+O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,CHEMBL3646185,6.84
+Cc1cnc(C)c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3649063,5.37
+CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,CHEMBL3649077,7.21
+COc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(N(C)C)n1,CHEMBL3646152,7.0
+Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3649078,7.38
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)CC3C2)n1,CHEMBL3652485,5.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ccc(F)cn3)CC2C1,CHEMBL3649113,5.0
+O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3649092,6.88
+Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C)n1,CHEMBL3649083,5.0
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cncc(C)n4)CC3C2)c1,CHEMBL3649062,5.0
+O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3649048,5.93
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncc[nH]4)CC3C2)n1,CHEMBL3649142,5.0
+O=C(c1ccccc1Br)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,CHEMBL3646191,5.84
+COc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649098,6.05
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,CHEMBL3649198,6.2
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4cc[nH]n4)CC3C2)n1,CHEMBL3649236,6.23
+Cc1cc(C(C)(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,CHEMBL3652448,6.94
+Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4C)CC3C2)n1,CHEMBL3649181,5.0
+COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)cc1OC,CHEMBL3652487,5.0
+Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,CHEMBL3649095,5.57
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)ncc1F,CHEMBL3652459,5.46
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)n1,CHEMBL3646166,5.74
+CN(C)c1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,CHEMBL3646153,6.72
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cnnc5ccccc45)CC3C2)n1,CHEMBL3649163,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1,CHEMBL3649235,6.01
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C(C)C)CC3C2)n1,CHEMBL3649054,5.0
+COc1ccc(C(=O)N2CC3CN(c4ncc(C)c(C)n4)CC3C2)c(-n2nccn2)c1,CHEMBL3652516,5.69
+COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,CHEMBL3649034,5.0
+COc1cc(Cl)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649178,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ccccn4)CC3C2)n1,CHEMBL3652529,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4ccnn4)CC3C2)n1,CHEMBL3649239,5.0
+Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,CHEMBL3646165,5.56
+Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,CHEMBL3646171,6.58
+Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1C,CHEMBL3652458,6.51
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc([N+](=O)[O-])cn3)CC2C1,CHEMBL3639480,5.0
+CCOc1cccc(OCC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649185,5.0
+CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,CHEMBL3649040,6.26
+O=S(=O)(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,CHEMBL3652498,5.0
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691822,8.05
+O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691823,7.82
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691841,8.22
+COc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2nccn2)c1,CHEMBL3691816,6.96
+O=C(c1cccc(F)c1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691819,8.335
+O=C(c1c(F)cccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691821,7.78
+Cc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2ccnn2)n1,CHEMBL3691831,6.34
+COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691835,8.05
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4cnc(C(F)(F)F)cn4)C2C3)n1,CHEMBL3691807,6.47
+O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691814,8.25
+O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691840,7.96
+O=C(c1cccc2cc[nH]c12)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691837,6.76
+O=C(c1cccc(F)c1-n1ccnn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691830,7.07
+O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691817,7.89
+CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691808,6.91
+O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691833,8.1
+CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691832,6.58
+CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691811,7.82
+Cc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2nccn2)n1,CHEMBL3691826,7.33
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691810,7.94
+Cc1cccc(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,CHEMBL3691848,8.52
+O=C(c1cccc(F)c1Br)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691839,7.26
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691806,6.92
+Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,CHEMBL3691820,8.52
+Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1,CHEMBL3691829,8.4
+CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691813,7.57
+COc1cccc(-n2nccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691818,7.4
+O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691851,8.7
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691846,8.52
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)n1,CHEMBL3691843,8.05
+COc1cccc(-c2cc[nH]n2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691834,7.77
+O=C(c1ncccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691827,7.66
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)n1,CHEMBL3691825,7.752999999999999
+Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)n1,CHEMBL3691847,8.22
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,CHEMBL3691842,8.22
+COc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-c2ncccn2)c1,CHEMBL3691815,7.23
+CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691849,8.0
+O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3cnc(C(F)(F)F)cn3)C1C2,CHEMBL3691852,8.05
+O=C(c1ccc(F)cc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691838,7.38
+O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,CHEMBL3691850,8.3
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC,CHEMBL3740099,7.7
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cnc1OC,CHEMBL3741125,7.9
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)nc1OC,CHEMBL3741584,7.6
+CNc1cc(N2C(=O)N(Cc3c(F)cc(OC)cc3F)c3ncccc3S2(=O)=O)cnc1OC,CHEMBL3739451,8.9
+COc1cc(F)c(CN2C(=O)N(c3cnc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3741474,8.6
+COc1cc(F)c(CN2C(=O)N(c3cc(OC)nc(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3740971,9.0
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)ccn1,CHEMBL3742143,6.4
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cnc1OC,CHEMBL3741721,7.4
+COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc(OC)n1,CHEMBL3741648,7.8
+COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(Cl)c1,CHEMBL3741853,9.4
+COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,CHEMBL3742398,8.7
+COc1ccc(N2C(=O)N(Cc3c(F)cc(C)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741094,8.2
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3OC)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741373,7.2
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740873,7.6
+COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3741978,7.3
+COc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3742392,8.1
+COc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740284,7.2
+COc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3739510,6.5
+COc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1OC,CHEMBL3740976,5.7
+Cc1nc(C(=O)N2CCCCC2CCOc2ccc(F)cc2)c(-c2ccccc2)s1,CHEMBL3771050,8.1
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1,CHEMBL3769978,7.47
+Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1,CHEMBL3770503,9.52
diff --git a/chembl_200/CHEMBL5136.csv b/chembl_200/CHEMBL5136.csv
new file mode 100644
index 0000000000000000000000000000000000000000..b846e0a04b2fe575bb45b1b6d2a26eeab3ce1e95
--- /dev/null
+++ b/chembl_200/CHEMBL5136.csv
@@ -0,0 +1,364 @@
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64057,9.1
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccccc3)cc21,CHEMBL64621,8.44
+O=C(c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL304453,7.31
+CNC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL293259,8.62
+COc1cc2[nH]cc(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2cc1OC,CHEMBL293653,7.06
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Br)cc21,CHEMBL63100,9.22
+O=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64035,8.47
+O=C(c1c[nH]c2cc(-c3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL294589,7.85
+Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1,CHEMBL64669,7.48
+O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21,CHEMBL545684,7.52
+O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CSC(c3cccnc3)N2)c1,CHEMBL303357,8.205
+O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64285,7.58
+CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO,CHEMBL299944,7.87
+O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1,CHEMBL64449,7.5
+CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64034,8.06
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL293642,8.04
+O=C(O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL555553,7.53
+CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21,CHEMBL64691,9.0
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Oc3ccc(F)cc3)cc21,CHEMBL293457,8.66
+O=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL62830,8.8
+O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL302900,7.44
+CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL304879,8.27
+CC(C)(C)OC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12,CHEMBL62424,5.01
+O=C(c1cn(C(=O)N2CCOCC2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64464,8.82
+Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1,CHEMBL62815,8.47
+CCOC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL62942,8.36
+O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64587,7.89
+COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1,CHEMBL64125,8.02
+NC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64472,8.3
+O=C(c1c[nH]c2cc(Oc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64636,8.72
+Cc1[nH]c2ccccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64180,7.65
+Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1,CHEMBL293916,7.06
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C#Cc3ccccc3)cc21,CHEMBL305372,8.89
+O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1C(=O)C(F)(F)F,CHEMBL2115490,5.79
+COCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1,CHEMBL60359,8.52
+COC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64445,8.34
+CNC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL62308,7.9
+O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64860,8.52
+O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL293862,8.25
+CCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64428,8.92
+Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64764,7.81
+Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N1CCOCC1,CHEMBL292550,7.44
+Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C,CHEMBL64882,8.02
+CN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1,CHEMBL62530,7.52
+COC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL417563,8.7
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C(=O)c3ccccc3)cc21,CHEMBL539673,9.0
+CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL293906,8.85
+Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1,CHEMBL292860,8.59
+COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1,CHEMBL442170,8.09
+NC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL418125,8.24
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21,CHEMBL63383,8.72
+O=C(c1ccccc1)c1ccc2ccn(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1,CHEMBL292704,7.02
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21,CHEMBL291372,8.74
+O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL62497,8.8
+O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2cccc(OCc3ccccc3)c21,CHEMBL64493,6.41
+CC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64209,7.5
+CC(C)(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL60477,8.06
+O=C(C1CSC(c2cccnc2)N1)n1ccc2c(Cl)cccc21,CHEMBL539263,7.49
+O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2ccc(OCc3ccccc3)cc21,CHEMBL64198,7.29
+CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL61937,7.74
+Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N(C)C,CHEMBL292508,7.89
+c1cncc(C2N[C@H](Cc3c[nH]c4ccccc34)CS2)c1,CHEMBL64194,6.22
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21,CHEMBL64745,7.86
+O=C(Nc1cccc(Cl)c1)c1ccn2c1CSC2c1cccnc1,CHEMBL64716,6.56
+O=C(c1c[nH]c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL302696,8.47
+O=C(c1c[nH]c2cc(O)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL62284,6.65
+O=C(c1c[nH]c2cc(C#Cc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL304190,7.82
+CC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12,CHEMBL292734,4.75
+CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL64214,9.0
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21,CHEMBL61936,7.4
+Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CC(C(=O)N1CCOCC1)C3,CHEMBL325439,7.53
+CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL60996,8.11
+Cc1nnc2n1C1=C(C(c3ccccc3Cl)=NC2C)C2CCN(C(=O)C3CC3)CC2S1,CHEMBL430748,7.8
+CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl,CHEMBL29067,8.225
+O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL305145,8.0
+NC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL62983,8.24
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21,CHEMBL293662,8.85
+CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21,CHEMBL62722,8.09
+O=C(Nc1cccc(Cl)c1)[C@@H]1CSC(c2cccnc2)N1,CHEMBL64462,6.68
+O=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12,CHEMBL445097,6.66
+O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21,CHEMBL554536,7.63
+O=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21,CHEMBL552673,7.83
+Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)OC(C)(C)C,CHEMBL60676,7.11
+Cc1cccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c12,CHEMBL62219,8.19
+O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL60081,8.96
+O=C(O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21,CHEMBL62725,7.6
+COc1cc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC,CHEMBL293641,8.0
+CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Cl)cc21,CHEMBL61416,9.0
+O=C(c1cn(CC(F)(F)F)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL61384,7.69
+COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC,CHEMBL439937,8.8
+O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1,CHEMBL302683,8.21
+O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1C(=O)C(F)(F)F,CHEMBL2114467,5.15
+C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O,CHEMBL514432,6.06
+COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC,CHEMBL297624,6.99
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1,CHEMBL12337,6.95
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1,CHEMBL12119,8.18
+CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC,CHEMBL274420,8.14
+CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1,CHEMBL273639,8.92
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1,CHEMBL12382,7.25
+CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1,CHEMBL11989,6.56
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1,CHEMBL275573,6.86
+CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1,CHEMBL11713,6.96
+CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1,CHEMBL417432,7.28
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1,CHEMBL11962,7.52
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1,CHEMBL440088,8.38
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1,CHEMBL11696,7.7
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1,CHEMBL12067,6.96
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1,CHEMBL11977,6.73
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1,CHEMBL12368,8.03
+CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1,CHEMBL8529,6.22
+CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O,CHEMBL12012,7.89
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1,CHEMBL11872,7.675
+CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1,CHEMBL274110,7.02
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1,CHEMBL274843,7.55
+CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1,CHEMBL12125,7.52
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1,CHEMBL273638,6.98
+CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1,CHEMBL12836,7.83
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1,CHEMBL12556,7.47
+CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1,CHEMBL12708,7.67
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1,CHEMBL12554,8.24
+CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1,CHEMBL12773,7.59
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1,CHEMBL273445,8.01
+CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1,CHEMBL12499,7.7
+CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1,CHEMBL268965,7.0
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1,CHEMBL12438,8.37
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1,CHEMBL12439,7.93
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O,CHEMBL12558,7.46
+CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1,CHEMBL12399,8.37
+CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1,CHEMBL12183,8.01
+C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@@H]5O)[C@@]12O,CHEMBL1868593,4.9
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5O)[C@]21O,CHEMBL347597,6.22
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@@H]5O)[C@]21O,CHEMBL158006,5.78
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5Cl)[C@]21O,CHEMBL422003,6.96
+CC(=O)O[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O,CHEMBL347433,5.11
+CCN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O,CHEMBL433516,5.79
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5F)[C@]21O,CHEMBL156402,6.0
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5F)[C@]21O,CHEMBL435037,7.0
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5[N-][N+]#N)[C@]21O,CHEMBL154481,6.26
+C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O,CHEMBL3349895,5.37
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5OC(=O)OCc3ccccc3)[C@]21O,CHEMBL348623,5.62
+CN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O,CHEMBL345909,6.21
+C[C@@H]1C(=O)OC2[C@H](O)C34C5CC(C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccccc3)OC4(C(=O)O5)[C@]21O,CHEMBL345420,6.92
+C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N)[C@]21O,CHEMBL346787,5.06
+CN(C)C(=O)n1cc(/C(=N/O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL95440,9.43
+O=C(O)Cn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL98359,7.74
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(OP(=O)(O)O)cc3)cc21,CHEMBL431037,6.6
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccnc3)cc21,CHEMBL433015,8.0
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3nccs3)cc21,CHEMBL316666,7.15
+O=C(O)CNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL319603,6.89
+O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)c2ccccc2S(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL100201,6.52
+NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL328632,7.42
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(C[C@H](N)C(=O)O)cc3)cc21,CHEMBL330219,7.27
+O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(Cn2ncnn2)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL319609,7.72
+CN(C)C(=O)n1cc(/C(=N/OCCCN2CCCC2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL316463,6.35
+CS(=O)(=O)NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL100257,8.0
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL98318,8.42
+O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)NCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL99385,6.17
+CN(C)C(=O)n1cc(/C(=N/OCC(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL99773,7.13
+CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccc(S(=O)(=O)O)cc2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL318009,7.28
+O=C(O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL319346,6.8
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+]([O-])c2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL317745,8.64
+CN1C=C([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)C=CC1,CHEMBL99395,5.4
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccco3)cc21,CHEMBL319811,7.41
+NS(=O)(=O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL317735,8.48
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc21,CHEMBL317069,7.35
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+](N)c2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL327953,5.7
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccc(N)c3)cc21,CHEMBL98990,6.96
+CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccccc2S(=O)(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL317335,7.96
+CN1CCN(C(=O)n2cc(C(=O)c3ccn4c3CS[C@@H]4c3cccnc3)c3ccc(-c4ccc(F)cc4)cc32)CC1,CHEMBL320371,7.55
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(CO)cc3)cc21,CHEMBL99070,7.8
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3c[nH]c(=O)[nH]c3=O)cc21,CHEMBL100159,6.62
+O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL98818,7.0
+CN(C)CCCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL316911,6.8
+CN(C)CCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL329498,6.7
+CN(C)C(=O)O/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL99481,8.22
+Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1,CHEMBL28902,7.62
+Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3nc4cc(F)ccc4s3)c2)cc1,CHEMBL31714,7.43
+Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccccc4n3)c2)cc1,CHEMBL28595,7.54
+CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL93223,4.85
+O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL93807,6.27
+CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL314744,5.66
+O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL93677,6.0
+O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL330269,5.74
+CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL90243,5.84
+O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL92585,6.22
+CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CHEMBL94138,4.02
+O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL313414,7.62
+O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL93952,6.82
+O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL262427,5.6
+O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1,CHEMBL93374,5.92
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCC(=O)O)C1)C(C)(C)O2,CHEMBL65199,5.26
+CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL264497,6.8
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2,CHEMBL66537,6.16
+CNC(=O)CCN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL61678,5.26
+CNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL61014,5.48
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2,CHEMBL65144,6.02
+CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL63111,6.48
+CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc(C(C)CCCc3ccc(F)cc3)cc(O)c21,CHEMBL65228,5.8
+C#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL303312,5.49
+CNC(=O)CCCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL65377,4.68
+CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1,CHEMBL302863,4.8
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCCC(=O)O)C1)C(C)(C)O2,CHEMBL291432,4.6
+CNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2,CHEMBL62873,6.78
+CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1,CHEMBL62822,4.93
+CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL61680,6.03
+CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCCC(=O)O)CC1,CHEMBL64094,6.18
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCNC1)C(C)(C)O2,CHEMBL62322,4.77
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCC(=O)O)C1)C(C)(C)O2,CHEMBL62650,5.36
+CCOC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2,CHEMBL62812,6.41
+COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2,CHEMBL65556,5.38
+CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1,CHEMBL62503,4.69
+CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)C)cc1OC2(C)C,CHEMBL65089,5.05
+CNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL65132,6.85
+CC1CSC2=C1c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL61627,4.36
+CNC(=O)CN1CCC2=C(C1)c1ccc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C,CHEMBL66414,6.46
+CNC(=O)CN1CCC(C(C)(C)O)=C(c2c(O)cc(C(C)CCCc3ccc(F)cc3)cc2O)C1,CHEMBL65715,4.63
+CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1,CHEMBL304427,5.43
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C,CHEMBL107881,7.82
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CHEMBL475534,4.13
+CCSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C,CHEMBL321486,6.3
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSCC)C1C,CHEMBL108714,6.0
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C,CHEMBL100004,7.16
+CC1=C(C(=O)OCCSc2ccccc2)C(C)C(C(=O)OCC2CCCO2)=C(C)N1,CHEMBL326215,5.68
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)C1CC,CHEMBL108295,5.99
+CC1=C(C(=O)OCCSc2ccccc2)C(C)C(C(=O)OC(C)C)=C(C)N1,CHEMBL108291,6.04
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)C1C,CHEMBL108238,6.22
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)C1C,CHEMBL109083,5.36
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)C1C,CHEMBL108086,5.98
+CNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL98874,8.0
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc12,CHEMBL329508,6.74
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12,CHEMBL318044,7.05
+NC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL100251,8.22
+Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL99583,8.15
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Oc3ccc(F)cc3)cc21,CHEMBL99528,8.77
+CN(C)S(=O)(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL101760,6.03
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12,CHEMBL98831,7.12
+O=C(O)CCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL99920,6.8
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cc3ccccc3)cc21,CHEMBL317116,7.89
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3cccnc3)cc21,CHEMBL317357,7.96
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21,CHEMBL317119,7.02
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cccc(OCc3ccccc3)c21,CHEMBL100145,6.77
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cc(OCc3ccccc3)ccc21,CHEMBL99721,6.92
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(OCc3ccccc3)cc21,CHEMBL99413,7.77
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Sc3ccc(F)cc3)cc21,CHEMBL98844,7.77
+CN(C)C(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL99053,9.15
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Br)cc21,CHEMBL99754,7.82
+CC(C)(C)OC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21,CHEMBL99976,6.96
+O=C(c1ccn2c1CSC2c1cccnc1)c1cn(CCO)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL98835,8.3
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL98813,8.42
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(OCc3ccccc3)ccc12,CHEMBL99928,7.19
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cl)cc21,CHEMBL100321,7.05
+CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccccc3)cc21,CHEMBL327732,7.64
+CCNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL100150,7.72
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccccc12,CHEMBL318874,7.28
+NNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL420826,7.6
+O=C(c1ccn2c1CSC2c1cccnc1)c1cn(C(=O)N2CCOCC2)c2ccccc12,CHEMBL98853,6.65
+O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cccc(O)c12,CHEMBL98999,6.49
+NCCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21,CHEMBL319325,7.42
+CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](CC)(CC)CC)cc1OC,CHEMBL66933,6.72
+CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccccc2)cc1OC,CHEMBL66814,6.07
+CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC,CHEMBL66495,6.57
+CCCCCCOc1c(OC)cc(/C=C/CCCC[N+](C)(C)C)cc1OC,CHEMBL66826,6.99
+CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC,CHEMBL419071,8.59
+CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccsc2)cc1OC,CHEMBL66374,7.6
+CCCCCCOc1c(OC)cc(C(=O)Oc2ccc3c(ccc[n+]3C)c2)cc1OC,CHEMBL68407,7.21
+CCCCCCOc1c(OC)cc(C(=O)OCCc2scnc2C)cc1OC,CHEMBL67618,7.38
+CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC,CHEMBL66185,6.73
+CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC,CHEMBL67232,5.58
+CCCCCCOc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OC,CHEMBL303480,6.31
+COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1,CHEMBL423305,5.92
+CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC,CHEMBL67396,5.67
+CCCCCCOc1c(OC)cc(C(=O)OCCCCN(C)C)cc1OC,CHEMBL419620,5.64
+CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC,CHEMBL66344,5.8
+CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC,CHEMBL67302,6.85
+CCCCCCOc1c(OC)cc(CCCCCC[N+](C)(C)C)cc1OC,CHEMBL68653,7.48
+CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC,CHEMBL67016,5.33
+CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1,CHEMBL67031,4.88
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OCc4ccccc4)c23)cc1,CHEMBL427307,9.07
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(F)c23)cc1,CHEMBL367295,8.29
+COC(=O)c1ccc2c(c1)c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL368586,6.96
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cccnc43)cc1)cn2C(=O)N(C)C,CHEMBL174183,8.0
+COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1,CHEMBL424947,9.29
+COc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL369614,8.7
+COC(=O)c1cc(-c2ccc(F)cc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL174592,9.82
+Cc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C,CHEMBL172484,8.7
+Cc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1,CHEMBL173584,9.05
+COC(=O)c1cccc2c1c(C(=O)CCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C,CHEMBL173304,8.21
+Cc1nc2cnccc2n1CCCN(C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12,CHEMBL176678,6.85
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)cc1)cn2C(=O)N(C)C,CHEMBL367130,7.64
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(Cl)nccc43)cc1)cn2C(=O)N(C)C,CHEMBL354819,8.74
+COC(=O)c1cccc2c1c(S(=O)(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL174192,7.89
+C#Cc1cccc2c1c(C(O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C,CHEMBL173497,8.82
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(NC(=O)c4ccccc4)c23)cc1,CHEMBL174402,8.7
+CNC(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21,CHEMBL369395,8.82
+COC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL172859,9.2
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1,CHEMBL427121,8.17
+COC(=O)c1cc(-c2cc3ccccc3o2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL369854,9.11
+CCOCCn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21,CHEMBL173586,8.96
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccc(-c4ccc(F)cc4)cc23)cc1,CHEMBL367011,6.72
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N1CCCC1,CHEMBL425688,8.77
+C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)c(F)c1)cn2C(=O)N(C)C,CHEMBL368410,7.72
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Br)c23)cc1,CHEMBL170370,7.96
+C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C,CHEMBL369225,8.87
+Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1,CHEMBL353618,7.92
+COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12,CHEMBL174262,8.22
+Cc1nc2cnccc2n1Cc1csc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)n1,CHEMBL173318,7.41
+COC(=O)c1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C,CHEMBL171294,7.72
+Cc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1,CHEMBL367160,6.21
+C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)NC,CHEMBL433795,9.2
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C,CHEMBL368162,8.37
+Cc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1,CHEMBL173215,6.59
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(-c4ccc(F)cc4)cccc23)cc1,CHEMBL367964,8.89
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C#N)c23)cc1,CHEMBL369411,7.29
+C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL173122,8.89
+COC(=O)c1cc(Br)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL366508,8.85
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C,CHEMBL174198,9.04
+Cc1[nH]c2ccccc2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1,CHEMBL352872,7.32
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1,CHEMBL435115,8.21
+COC(=O)c1ccc(C(=O)OC)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12,CHEMBL368923,8.54
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1,CHEMBL368292,7.92
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)C(C)C,CHEMBL368113,9.72
+COC(=O)c1cccc2c1c(C(=O)CCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C,CHEMBL367673,7.96
+Cc1nc2cnccc2n1N1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL174989,6.92
+Cc1nc2cnccc2n1CN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL174668,8.92
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1,CHEMBL176725,8.64
+COC(=O)c1cc(C#Cc2ccccc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL367922,9.02
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C,CHEMBL172819,8.89
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)s1)cn2C(=O)N(C)C,CHEMBL367786,8.09
+Cc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12,CHEMBL176797,9.06
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)N(C)C,CHEMBL369578,8.36
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N1CCCC1,CHEMBL173571,7.96
+C#Cc1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)c(F)c3)c12,CHEMBL174859,8.66
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1,CHEMBL172949,7.96
+Cc1nc2cnccc2n1Cc1cccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)c1,CHEMBL426579,6.74
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccncc43)cc1)cn2C(=O)N(C)C,CHEMBL173471,7.8
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1,CHEMBL173742,7.85
+Cc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL133197,7.28
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL367085,9.07
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccc(F)cc4)c23)cc1,CHEMBL173191,8.54
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)C(C)(C)C,CHEMBL369233,9.17
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1F,CHEMBL174618,7.51
+Cc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL275912,7.41
+Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL367398,9.09
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1,CHEMBL172697,8.27
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1,CHEMBL174454,7.12
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(C)nc(C)cc43)cc1)cn2C(=O)N(C)C,CHEMBL368657,6.92
+Cc1nc2cnccc2n1CCCCCC(=O)c1cn(C(=O)N(C)C)c2cccc(-c3ccc(F)cc3)c12,CHEMBL367418,8.49
+CCc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL366553,9.04
+CCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C,CHEMBL174479,8.28
+COC(=O)c1cccc2c1c(C(=O)C1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C,CHEMBL368185,8.62
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OC(C)C)c23)cc1,CHEMBL173157,8.33
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(N)=O,CHEMBL366998,8.82
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C,CHEMBL367393,8.3
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1,CHEMBL174104,8.44
+COC(=O)c1cccc2c1c(C(=O)CCCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C,CHEMBL367425,8.03
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(=O)[nH]ccc43)cc1)cn2C(=O)N(C)C,CHEMBL170398,8.4
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ncccc43)cc1)cn2C(=O)N(C)C,CHEMBL369643,8.54
+Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1,CHEMBL367530,7.96
+Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL173642,8.6
+Cc1nc2cnccc2n1C1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1,CHEMBL174550,8.47
+COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(OC)c1)cn2C(=O)N(C)C,CHEMBL367941,8.0
+CCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21,CHEMBL173531,7.82
+CC(=O)OC[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1,CHEMBL317090,8.42
+CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1,CHEMBL322832,9.4
diff --git a/chembl_200/CHEMBL5261.csv b/chembl_200/CHEMBL5261.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4b66a5b6379fc4e815be137ad71afad3e540af9b
--- /dev/null
+++ b/chembl_200/CHEMBL5261.csv
@@ -0,0 +1,361 @@
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.1
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,5.9
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,6.4
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.8
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,CHEMBL941,5.4
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,6.0
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.8
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,7.1
+Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,CHEMBL249697,5.1
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.3
+CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,CHEMBL296468,6.1
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.3
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.1
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.1
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.7
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,5.5
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,6.6
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.5
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,5.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.0
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.3
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.2
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,6.3
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.6
+Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,CHEMBL2001646,5.0
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.3
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.1
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,5.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,5.9
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,5.4
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.3
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,6.0
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.8
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.6
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,5.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.7
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.0
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,7.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.4
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,6.0
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.5
+N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL2002099,5.95
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,5.0
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.7
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,7.1
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.2
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.6
+Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,CHEMBL127898,5.4
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.7
+CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1973516,7.0
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,5.7
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,5.0
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.0
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.4
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,5.0
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.5
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.3
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,5.2
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,6.65
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.1
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.9
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.1
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.1
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.2
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.2
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.7
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.2
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,6.9
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.5
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.7
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.5
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,5.2
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.9
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,5.6
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.2
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(=O)CC)c3c2)cc1,CHEMBL1972221,5.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,6.4
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,5.3
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.7
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.9
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.7
+CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1,CHEMBL1975923,5.7
+Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)[nH]n1,CHEMBL2005449,5.9
+Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,CHEMBL1990496,5.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.5
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,5.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,7.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.0
+CC(=O)n1ncc2cc(N)ccc21,CHEMBL1972454,5.2
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.3
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.6
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,6.1
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.4
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.5
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.0
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.8
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.2
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.8
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.5
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.2
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,5.1
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.2
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.8
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.5
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,5.2
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.3
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.7
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.5
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.9
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,7.2
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.7
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.4
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.1
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.6
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.4
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.3
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,5.6
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.5
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,5.7
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,6.6
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.1
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.5
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1,CHEMBL1971021,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,5.9
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,5.7
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.4
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.2
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,5.3
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.4
+Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,CHEMBL412142,5.4
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.2
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,8.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.0
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.4
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,5.6
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.3
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.2
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.1
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,5.9
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,6.1
+Nc1cc(Nc2ccc(O)c(CNC(=O)C(F)(F)F)c2)ncn1,CHEMBL2002418,5.8
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,5.3
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.1
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.8
+CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)[nH]n1,CHEMBL2007421,5.6
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,5.1
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.5
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.0
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.0
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.4
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.1
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.2
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.5
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.4
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.7
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.8
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.4
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.6
+Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,CHEMBL1984296,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.3
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.2
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.8
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.7
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,5.6
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,5.8
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,6.0
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,5.4
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.3
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.3
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.9
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.3
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.3
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.3
+COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1,CHEMBL1975927,5.3
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,5.3
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,5.7
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.6
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1,CHEMBL1969483,6.6
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,6.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.8
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.4
+CCN1CCN(CCCC(=O)Nc2[nH]nc3nnc(-c4cccc(F)c4F)cc23)CC1,CHEMBL1992740,5.4
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,5.8
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.2
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,5.2
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.6
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,6.0
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.1
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.3
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.2
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.4
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,5.8
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.7
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.8
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.4
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.2
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,6.3
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,5.6
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.7
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,4.1
+CC(C)COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1984842,5.3
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.1
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,5.2
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,5.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.8
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.4
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.0
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.5
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,5.6
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL2005792,5.5
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,5.1
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.4
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.1
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.3
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,7.8
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,5.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.8
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,6.0
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,5.9
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,5.1
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,5.7
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.4
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,6.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,6.1
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,5.6
+CCOc1ccccc1-c1cccc(-c2[nH][nH]c3nc(=O)cc(C)c2-3)c1,CHEMBL1983070,7.2
+Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,CHEMBL1230122,5.5
+CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,CHEMBL1989043,6.7
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.0
+CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C,CHEMBL1997611,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,6.9
+CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,CHEMBL2002723,5.3
+Brc1ccc2cnc(Nc3ccncn3)cc2c1,CHEMBL1984686,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.1
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,5.3
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.5
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.1
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,5.4
+CCCCOc1ccccc1CCc1cccc2nc(N)nc(N)c12,CHEMBL1983255,5.0
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,5.8
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.4
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.4
+CC(=O)OCCn1[nH]c(-c2cccc(Br)c2)c2c(C(F)(F)F)cc(=O)nc1-2,CHEMBL1984847,7.6
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,5.7
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,6.2
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1991678,5.2
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.8
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.5
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.5
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.2
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,5.4
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,6.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.1
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,5.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.8
+CN(C)CCCCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2001451,5.4
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,5.3
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.3
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,5.8
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.6
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.5
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,6.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.9
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.1
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.5
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,5.8
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,7.6
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,5.5
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.1
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,7.3
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,5.9
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.5
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,5.1
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,5.8
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,5.2
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,5.2
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,6.2
+COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,CHEMBL1997197,5.3
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,6.0
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.0
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,5.1
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.3
+CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,CHEMBL360847,5.6
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.8
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,6.5
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,6.1
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.3
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.1
+CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,CHEMBL1971245,5.1
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)N(CCN)CCO)c2)n1,CHEMBL1993634,5.6
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,5.6
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,5.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.7
+CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,CHEMBL2006674,5.6
+CCCC(=O)Nc1[nH]nc2nnc(-c3cccc(F)c3F)cc12,CHEMBL1979970,5.7
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,4.3
+CC(C)N(CCCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1994318,6.1
+O=c1[nH]c2ccccc2n2cc(-c3ccc(Cl)cc3)cc12,CHEMBL1974094,5.5
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,5.9
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,5.7
+O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1,CHEMBL1968499,6.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.5
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.1
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,5.2
+NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O,CHEMBL1980246,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,5.1
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,5.2
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,6.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,6.2
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.8
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,5.4
+CCCCOc1ccc(C(C)(C)CC)cc1S(=O)(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1,CHEMBL1985690,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.6
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.6
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,5.4
diff --git a/chembl_200/CHEMBL5330.csv b/chembl_200/CHEMBL5330.csv
new file mode 100644
index 0000000000000000000000000000000000000000..df0418ab51a6a508c5e2e552cc650ecda84e0181
--- /dev/null
+++ b/chembl_200/CHEMBL5330.csv
@@ -0,0 +1,454 @@
+O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)C1c1ccc(O)cc1,CHEMBL584052,6.47
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,6.2
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.2
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.5
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.8
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.7
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,6.2
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,7.1
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,5.6
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.3
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,6.1
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,6.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.2
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,7.2
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,5.8
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.5
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.7
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,7.8
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,5.6
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.8
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.3
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,8.5
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,7.4
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.3
+Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,CHEMBL2001646,5.4
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,5.6
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.7
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.5
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.0
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.6
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.1
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.9
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.3
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.8
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.8
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.8
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.0
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.4
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,6.8
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.0
+Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,CHEMBL1879463,7.3
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.0
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,6.6
+O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,CHEMBL1971227,5.7
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.9
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,CHEMBL1978562,5.8
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,8.3
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,5.9
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.9
+NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,CHEMBL1978195,6.6
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,6.3
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.9
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.6
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.3
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.3
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.1
+COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,CHEMBL2004025,6.1
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,6.8
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.2
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.5
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,5.7
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.7
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,6.3
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.9
+Cc1nnc(-c2ccccc2)c(C#N)n1,CHEMBL1994808,4.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.5
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,7.2
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,7.0
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.8
+Cc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL1970074,5.8
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.1
+COCCN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1986970,5.5
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.0
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,6.0
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,6.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.2
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.6
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.3
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.3
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.5
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.6
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.2
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.6
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,6.5
+O=C1CN=C(c2ccc(F)cc2)c2cn[nH]c2N1,CHEMBL1994056,4.2
+CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1,CHEMBL1979855,5.4
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,4.8
+CCNc1nc2cc(Cl)c(OC)cc2nc1NCC,CHEMBL1995927,5.2
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,7.1
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.7
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,6.2
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.4
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,6.8
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.2
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,6.4
+CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1,CHEMBL1978267,6.0
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.2
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.7
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,5.6
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,6.3
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.9
+O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21,CHEMBL117217,5.3
+O=c1[nH]n2ccccc2c1Br,CHEMBL2004033,5.6
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,5.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,6.4
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.8
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.1
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.7
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.3
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.5
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.5
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.7
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.8
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,6.9
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.5
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.2
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,7.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.6
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,6.2
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.3
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,8.5
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.4
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.9
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,5.7
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,6.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.8
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,5.9
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.5
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.8
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.6
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,5.8
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.8
+COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,CHEMBL1983309,6.2
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,5.0
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.4
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.7
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,5.7
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,5.4
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,6.0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.5
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.7
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.1
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,7.1
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.9
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,6.6
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.7
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,6.7
+Oc1ccc(Cl)cc1C1=NNC(c2ccc3c(c2)OCCO3)C1,CHEMBL1965789,5.6
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.3
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,6.0
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,5.6
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.9
+CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,CHEMBL2006631,5.3
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.5
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,7.2
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,7.3
+CCCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL1970735,5.7
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,8.7
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.4
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.0
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.1
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,6.5
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,7.3
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,7.1
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,7.3
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.8
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.3
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,6.4
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.4
+CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,CHEMBL1988141,6.4
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,5.7
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.4
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,5.9
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,4.6
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.5
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,7.4
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.5
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.5
+CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,CHEMBL1982413,6.3
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.6
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,5.4
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.8
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.8
+Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1,CHEMBL2002586,6.5
+CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1,CHEMBL1996234,6.1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,5.7
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.2
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,6.4
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.3
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,6.5
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.3
+Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,CHEMBL1993335,6.4
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.1
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.4
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.8
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.9
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,7.4
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.5
+COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1,CHEMBL1979176,5.5
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.9
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.3
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.4
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.4
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,7.1
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,6.1
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,6.7
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.7
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,6.2
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,6.3
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.6
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.8
+CC1=CN2CC(=O)NN=C2C=C1,CHEMBL1964718,4.1
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.8
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.8
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.0
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.3
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,5.8
+Cc1[nH]nc2c1C(c1ccccc1F)C(C#N)C(=N)O2,CHEMBL1985507,5.3
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,5.7
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.7
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,CHEMBL243298,7.1
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,7.1
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.3
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.3
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.7
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.7
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,6.1
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,6.0
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.4
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.3
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,8.1
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.5
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,4.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,6.0
+O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,CHEMBL1992042,5.9
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.8
+CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,CHEMBL21156,5.6
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.4
+CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL1970290,6.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,6.6
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(NC(C)=O)c3c2)cc1,CHEMBL1973893,5.2
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.3
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.4
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,6.2
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.3
+COc1cccc(NC(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)c1,CHEMBL1973363,5.8
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.5
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,5.6
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,6.3
+Oc1ccc2nc(-c3ccc(Sc4ccc(-c5nc6ccc(O)cc6[nH]5)cc4)cc3)[nH]c2c1,CHEMBL2001149,6.1
+COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,CHEMBL2005478,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,8.1
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,6.0
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,5.7
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.0
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,5.9
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,7.1
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1997909,5.6
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.5
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,5.8
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,6.5
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.5
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,8.1
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,6.6
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,5.0
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,6.2
+Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1,CHEMBL1996795,5.7
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,6.3
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,5.3
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,6.1
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,6.9
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,6.4
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.4
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,6.9
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.1
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.7
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.1
+O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,6.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.5
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,6.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.3
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,7.1
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.6
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.0
+Clc1cc2nnc(-c3ccccc3)n2cn1,CHEMBL1998228,4.9
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,5.8
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,5.9
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.2
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.3
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.4
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.6
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.6
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,5.4
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.4
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.9
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.4
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.2
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.8
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,7.7
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.6
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.1
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.2
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.3
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.4
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,6.3
+Cc1c(O)ccc2c1CCCC2=NNC(=O)Cc1cccc2ccccc12,CHEMBL1972659,5.2
+COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl,CHEMBL272453,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,5.2
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,6.5
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,8.3
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,5.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.7
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.6
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,6.9
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,5.9
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,6.9
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.2
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.4
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,7.7
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.7
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.7
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,7.0
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,5.6
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.7
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,7.0
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.4
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,5.8
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.1
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,6.1
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.9
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,6.9
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.6
+CCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL208637,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,8.3
+N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)=C1O,CHEMBL1978371,6.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,7.2
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,6.5
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.3
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,8.0
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,6.2
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.0
+CN(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1996111,6.2
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,6.9
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,5.2
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,4.2
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.7
+COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O,CHEMBL550418,5.6
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,6.5
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.5
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1996649,6.5
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.1
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.4
+Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,5.8
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,6.2
+Nc1cc2c(Oc3ccc(Cl)cc3)cncc2s1,CHEMBL2002471,5.6
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.7
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.6
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.6
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,7.3
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.3
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.7
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.1
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,7.9
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.4
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,6.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.2
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,CHEMBL1976196,6.0
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.2
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.5
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,6.3
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.2
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.4
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,5.7
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,7.0
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,5.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1977223,5.3
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,5.0
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,6.4
+CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL1984760,5.8
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.2
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.3
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.7
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.3
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.4
+COc1ccc(-c2ccc(N)cc2)c2cnoc12,CHEMBL2002450,4.2
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.7
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.6
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.4
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,5.4
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,7.6
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.8
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.5
+N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1,CHEMBL1996066,6.7
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,6.5
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,5.3
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.4
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,6.3
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,7.0
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.3
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,6.8
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.6
+CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,CHEMBL1970352,5.7
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,7.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,5.2
+CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,CHEMBL1980167,5.6
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,5.5
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,7.8
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,6.3
+CC(C)(C)OC(=O)n1cc(-c2cncn2C2CCCCC2)c2ccccc21,CHEMBL1975357,5.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,6.3
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,7.2
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,5.5
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,6.0
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.9
+CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1,CHEMBL1999484,6.1
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,8.1
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,CHEMBL1986899,5.6
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.2
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.2
+COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2,CHEMBL1980391,6.4
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.5
diff --git a/chembl_200/CHEMBL5373.csv b/chembl_200/CHEMBL5373.csv
new file mode 100644
index 0000000000000000000000000000000000000000..a72a4694155701af6fef71507d3fc3e472c2bb15
--- /dev/null
+++ b/chembl_200/CHEMBL5373.csv
@@ -0,0 +1,368 @@
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1,CHEMBL108085,9.66
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL411626,9.31
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O,CHEMBL325195,7.3
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2)cc1O,CHEMBL118646,7.0
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2(Cl)Cl)cc1O,CHEMBL122190,7.48
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl,CHEMBL120669,9.54
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,CHEMBL190461,6.64
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1,CHEMBL476325,9.28
+C=C(C)C1CCC(C)=CC1c1c(O)cc(C2(CCCCCC)CC2(Br)Br)cc1O,CHEMBL121353,7.2
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Br)Br,CHEMBL118631,9.0
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL267227,7.407999999999999
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CC)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL120644,7.67
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCC)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL262559,7.41
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL119914,8.64
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCI)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL119942,8.01
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL121118,8.47
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCI)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL116769,8.37
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL85071,8.64
+CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CO)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL120778,8.85
+CCCCC/C=C\C/C=C\CCCCCCCC1=NCCO1,CHEMBL346428,4.7
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,CHEMBL149859,4.6
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)CC,CHEMBL151496,5.66
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCCl,CHEMBL151864,6.71
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO,CHEMBL15848,5.715
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,CHEMBL280065,4.51
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO,CHEMBL120526,6.075
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCF,CHEMBL74909,6.04
+C#CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC,CHEMBL359165,6.54
+CCCCCCCC/C=C\CCCCCCCC1=NCCO1,CHEMBL151068,4.51
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CC,CHEMBL359278,5.88
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC[C@H](C)O,CHEMBL330974,6.11
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO,CHEMBL348466,5.09
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)CO,CHEMBL356213,4.68
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)CCO,CHEMBL150849,5.45
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC[C@@H](C)O,CHEMBL346659,5.75
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(O)NC(C)(C)CO,CHEMBL149691,5.43
+CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)CO,CHEMBL151084,4.59
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)C,CHEMBL150942,5.94
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC,CHEMBL151862,5.49
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCC(F)(F)F,CHEMBL151504,6.14
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl,CHEMBL151167,6.815
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(C)C,CHEMBL421967,6.08
+C=CCNC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCC,CHEMBL274016,6.65
+CCCCCC1CCc2c(cc3c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O3)C1,CHEMBL63553,6.79
+CCCCCCC1CCCc2c1cc1c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O1,CHEMBL303479,7.23
+CCCCCCC1CCCc2c1cc(O)c1c2OC(C)(C)[C@@H]2CC=C(C)C[C@@H]12,CHEMBL66161,6.34
+CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL126114,7.84
+CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL127848,8.28
+CCCCCC#Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL341511,7.21
+CCCCC/C=C\c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21,CHEMBL441284,8.02
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)Nc1ccc(O)cc1,CHEMBL39878,4.89
+CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)Nc1cccc(O)c1,CHEMBL141647,5.51
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1,CHEMBL434069,4.96
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccccc1O,CHEMBL137899,5.68
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=S)NCCO,CHEMBL342659,5.2
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3SCCS3)cc1OC2(C)C,CHEMBL111345,6.99
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCCS1,CHEMBL108392,8.44
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)Sc2ccccc2S1,CHEMBL322112,6.59
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL108868,8.72
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SC(C)C(C)S1,CHEMBL325135,7.71
+CCCCCCC(O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL19691,7.18
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O,CHEMBL418366,7.3
+CCCCCC#Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL279147,8.51
+CCCCCCC(=O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL418555,7.08
+Cc1c(C(=O)Nn2cccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL167661,5.88
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1I,CHEMBL165134,6.24
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL286188,5.84
+Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL33652,5.61
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc([N+](=O)[O-])cc1,CHEMBL349512,6.6
+Cc1c(C(=O)N(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL285473,5.9
+CCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl,CHEMBL354476,6.13
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,CHEMBL36250,6.08
+Cc1c(C(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL352460,5.34
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1N,CHEMBL424527,6.03
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1[N+](=O)[O-],CHEMBL349513,6.16
+Cc1c(C(=O)Nc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL35657,5.17
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1,CHEMBL285153,6.66
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(N)cc1,CHEMBL349955,6.02
+Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL285486,8.72
+Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,CHEMBL285932,5.64
+Cc1c(C(=O)N2CCN(C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL422034,5.63
+Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL36569,6.67
+Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,CHEMBL34201,6.0
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL434351,7.28
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL371167,7.85
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C=C3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL191324,8.05
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC3C4CC5CC(C4)CC3C5)cc1OC2(C)C,CHEMBL372866,7.12
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL480107,7.57
+CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL68641,8.72
+CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc21,CHEMBL436120,8.01
+CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21,CHEMBL370573,8.28
+Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1CC1CCCCN1C,CHEMBL197257,5.02
+Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1CC1CCCCN1C,CHEMBL196592,6.1
+CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL364266,8.54
+CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL2093080,8.66
+CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21,CHEMBL1788276,6.24
+O=C(CCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCN=C=S)NC1CC1,CHEMBL2113101,7.31
+N#[N+][N-]CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1,CHEMBL2113102,7.24
+CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC1CC1,CHEMBL418353,6.8
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O,CHEMBL383265,6.96
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCC2)cc1O,CHEMBL202653,6.98
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O,CHEMBL202652,6.65
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2ccc(C)cc2)cc1O,CHEMBL205685,6.43
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCCC3)cc1OC2(C)C,CHEMBL205888,8.41
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCC3)cc1OC2(C)C,CHEMBL206859,7.6
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cccc4ccccc34)cc1OC2(C)C,CHEMBL381492,8.03
+CCCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL205908,6.97
+CCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1,CHEMBL203131,7.29
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C,CHEMBL382684,7.14
+Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccc(F)cc3)c2n1,CHEMBL216382,8.85
+CCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL371214,7.19
+Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1,CHEMBL384595,8.0
+Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1,CHEMBL385508,7.3
+O=C(NC1CCCCC1)c1cn(CCN2CCOCC2)c2cc(Cl)ccc2c1=O,CHEMBL217094,8.48
+O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O,CHEMBL385808,8.32
+CC1CCC(NC(=O)c2cn(CCN3CCOCC3)c3nc(Cl)ccc3c2=O)CC1,CHEMBL216438,7.39
+O=C(NC1CCCCC1)c1cn(CCN2CCOCC2)c2ncccc2c1=O,CHEMBL214229,7.17
+O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ncccc2c1=O,CHEMBL214511,7.31
+O=C(NC1CCCCC1)c1cn(Cc2ccc(F)cc2)c2ncccc2c1=O,CHEMBL386489,7.89
+COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccc(C)nc32)cc1,CHEMBL216067,7.45
+Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(CCc3ccccc3)c2n1,CHEMBL218295,7.79
+O=C(NC1CCCCC1)c1cn(Cc2ccccc2F)c2nc(Cl)ccc2c1=O,CHEMBL216888,7.74
+O=C(NC1CCCCC1)c1cn(Cc2ccc(F)cc2)c2nc(Cl)ccc2c1=O,CHEMBL217583,7.67
+O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2nc(Cl)ccc2c1=O,CHEMBL386725,7.61
+Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccccc3F)c2n1,CHEMBL216057,7.87
+Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccc(F)cc3)c2n1,CHEMBL387001,9.0
+Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccccc3)c2n1,CHEMBL217266,8.29
+Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccccc3F)c2n1,CHEMBL217549,8.08
+Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216735,8.12
+Cc1ccc2c(c1)Cc1c(C(=O)Nc3ccccc3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL385268,7.48
+Cc1ccc2c(c1)Cc1c(C(=O)Nc3ccc(Cl)cc3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL218571,6.75
+Cc1ccc2c(c1)Cc1c(C(=O)Nc3ccc(F)cc3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216659,7.21
+Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2Cc2cc(C)ccc2-3)cc1,CHEMBL414366,7.13
+COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2Cc2cc(C)ccc2-3)cc1,CHEMBL216333,6.94
+Cc1ccc2c(c1)Cc1c(C(=O)NNc3ccccc3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL374889,7.2
+Cc1ccc2c(c1)Cc1c(C(=O)NNc3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216335,5.67
+COc1ccc(NNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2Cc2cc(C)ccc2-3)cc1,CHEMBL218432,5.52
+Cc1cc2c(cc1Cl)-c1c(c(C(=O)NC3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL386014,7.6
+Cc1cc2c(cc1Cl)-c1c(c(C(=O)NN3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL386644,6.7
+Cc1cc2c(cc1Cl)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216595,7.07
+Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL216276,10.43
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(Cl)ccc1-2,CHEMBL218957,9.47
+Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1,CHEMBL381689,9.55
+CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1,CHEMBL559612,8.95
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccccc1-2,CHEMBL389669,7.74
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL376700,7.68
+Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL225415,6.41
+Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL224609,9.34
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Br)ccc1-2,CHEMBL438782,7.43
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccc(Cl)cc1-2,CHEMBL224053,7.57
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1c(Cl)cccc1-2,CHEMBL541216,7.5
+COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCc2cc(Cl)ccc2-3)cc1,CHEMBL387112,7.36
+Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCc2cc(Cl)ccc2-3)cc1,CHEMBL224114,7.19
+O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL224847,7.1
+O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL225377,8.84
+O=C(NC1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL225622,9.19
+O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL223278,8.7
+O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2,CHEMBL374933,7.35
+O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)ccc1-2,CHEMBL389203,6.64
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231565,8.31
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL231466,8.74
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL389118,8.92
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL231465,8.77
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231464,6.84
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1,CHEMBL231369,7.34
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL390404,7.28
+CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1,CHEMBL231368,8.38
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1,CHEMBL231367,7.63
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL231268,7.94
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccccc1C(C)C,CHEMBL443842,8.92
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2ccccc12,CHEMBL232328,8.4
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1cccc2c1CCCC2,CHEMBL232116,9.15
+CSC(=S)N1CC2(CCCCC2)CS/C1=N\c1ccc(OC(F)(F)F)cc1,CHEMBL232129,8.15
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc12,CHEMBL113230,8.51
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(O)cc1-2,CHEMBL238359,8.32
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(OC)cc1-2,CHEMBL235585,8.23
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,CHEMBL109393,8.96
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12,CHEMBL429797,9.09
+CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12,CHEMBL266712,8.17
+CCOC(=O)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL248135,6.73
+Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,CHEMBL188,8.22
+CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C,CHEMBL232730,8.05
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1C(=O)CCCC1O,CHEMBL246627,6.39
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)cc1OC2(C)C,CHEMBL492012,8.13
+CC1=CC[C@@H]2[C@@H](C1)c1c(ccc(C[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1O)OC2(C)C,CHEMBL489375,7.31
+CC1=CC[C@@H]2[C@@H](C1)c1c(ccc(C[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1O)OC2(C)C,CHEMBL521915,7.52
+CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)cc1OC2(C)C,CHEMBL489374,8.21
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\Cc1ccccc1,CHEMBL462607,6.08
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCc1ccccc1,CHEMBL462608,6.47
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCCc1ccccc1,CHEMBL516986,6.27
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccccc1,CHEMBL460307,5.95
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccccc1,CHEMBL460306,6.62
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCc1cccc2ccccc12,CHEMBL516628,5.4
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(F)c1,CHEMBL462593,6.01
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Cl)c1,CHEMBL460485,6.22
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Br)c1,CHEMBL460486,5.98
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(I)c1,CHEMBL460487,5.81
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCc1cccc(C(F)(F)F)c1,CHEMBL474531,5.69
+Cc1cccc(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1,CHEMBL474532,6.08
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccc(Br)cc1,CHEMBL473515,6.6
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccoc1,CHEMBL462219,5.99
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccoc1,CHEMBL462572,6.06
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccco1,CHEMBL516663,6.13
+C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1,CHEMBL462573,5.49
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214374,5.92
+CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214375,4.77
+CC1(C)Oc2cc(C(=O)N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214376,5.6
+CC1(C)Oc2cc(C(=O)N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214377,5.07
+CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214434,5.06
+CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214435,5.12
+CC1(C)Oc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214436,6.3
+CC1(C)Oc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214437,5.12
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214500,5.92
+CC1(C)Oc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214501,5.43
+CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214502,6.3
+CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214503,5.3
+CC1(C)Oc2cc(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214557,5.21
+CC1(C)Oc2cc(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214558,5.12
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1214559,7.74
+CC1(C)Oc2cc(C34CC5CC(CC(C5)O3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1214560,6.27
+CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL1259227,6.58
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,CHEMBL947,8.74
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259243,8.28
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1,CHEMBL1259244,9.01
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)SCCS1,CHEMBL1259000,7.37
+CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259001,7.92
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1,CHEMBL1259018,7.86
+CC1(C)Oc2cc(C3(CCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259019,7.86
+CC1(C)Oc2cc(C3(CCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259037,8.59
+CC1(C)Oc2cc(C3(CCCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259038,8.8
+CC1(C)Oc2cc(C3(CCCCC#N)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259056,8.56
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL1259057,8.12
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)SCCS1,CHEMBL1259075,7.86
+CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)CCC1,CHEMBL1259076,8.38
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL1259091,8.56
+CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL1259092,8.78
+N#Cc1c(C(F)(F)F)ccc2c1oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c12,CHEMBL1834522,6.17
+N#Cc1c(C(F)(F)F)ccc2c1oc1ccc(OS(=O)(=O)CCCC(F)(F)F)cc12,CHEMBL1834523,5.77
+N#Cc1c(C(F)(F)F)ccc2c1oc1cc(OS(=O)(=O)CCCC(F)(F)F)ccc12,CHEMBL1834524,6.47
+N#Cc1c(C(F)(F)F)ccc2c1oc1c(OS(=O)(=O)CCCC(F)(F)F)cccc12,CHEMBL1834525,6.39
+N#Cc1c(C(F)(F)F)ccc2c1Oc1c(cccc1OS(=O)(=O)CCCC(F)(F)F)C2,CHEMBL1834526,5.95
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4s3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064059,6.82
+CC1(C)Oc2cc(C(=O)c3csc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064060,7.47
+CC1(C)Oc2cc(C(=O)c3ccccc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064052,6.61
+CC1(C)Oc2cc(C(=O)c3cc4ccccc4o3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064055,6.79
+CC1(C)Oc2cc(C(=O)c3coc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064056,6.77
+CC1(C)Oc2cc(C(=O)c3ccsc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064058,6.28
+CC1(C)Oc2cc(C(=O)c3cccc(F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064067,6.43
+CC1(C)Oc2cc(C(=O)c3cccc(C(F)(F)F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064068,7.34
+CC1(C)Oc2cc(C(=O)c3c[nH]c4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2064069,7.22
+Cn1cc(C(=O)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)c2ccccc21,CHEMBL2064070,6.39
+O=S(=O)(F)CCCCOc1ccc(OCc2ccccc2)cc1,CHEMBL2180822,6.69
+O=S(=O)(F)CCCCCc1ccc(O)cc1,CHEMBL2180821,6.24
+O=S(=O)(F)CCCCCCCc1ccc(O)cc1,CHEMBL2180818,6.16
+O=S(=O)(F)CCCCCc1ccc(OCc2ccccc2)cc1,CHEMBL2180817,6.71
+O=S(=O)(F)CCCCCCCc1cccc(OCc2ccccc2)c1,CHEMBL2180831,7.0
+Cc1c(/C(F)=C\C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2337203,5.4
+Cc1c(/C(F)=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2337204,5.71
+Cc1c(C(O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2337205,5.38
+Cc1c(C(=O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2337206,5.65
+Cc1c(/C=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL386832,5.42
+O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc21,CHEMBL2338188,5.66
+O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1,CHEMBL2338186,6.4
+O=C(N1CCc2ccc(C(F)(F)F)cc21)C12CC3CC(CC(C3)C1)C2,CHEMBL2338184,5.55
+O=C(N1CCc2cc(F)ccc21)C12CC3CC(CC(C3)C1)C2,CHEMBL2338183,5.62
+Cc1cccc2c1CCN2C(=O)C12CC3CC(CC(C3)C1)C2,CHEMBL2338182,5.89
+CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338181,5.31
+O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2,CHEMBL2338179,6.05
+CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338177,5.55
+COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338176,5.82
+COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CHEMBL2338174,5.28
+O=C(N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2,CHEMBL246952,5.37
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(O)ccc21,CHEMBL2348476,6.6
+COc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348475,6.02
+Cc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348474,7.37
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2-c2cc(CO)ccc21,CHEMBL2348473,7.49
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(CO)=CC[C@H]21,CHEMBL2348472,7.97
+CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348471,6.9
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CCO)CC[C@H]21,CHEMBL2348470,7.68
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CC=O)CC[C@H]21,CHEMBL2348469,8.09
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CO)CC[C@H]21,CHEMBL2348468,7.19
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CCO)CC[C@H]21,CHEMBL2348467,7.42
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC=O)CC[C@H]21,CHEMBL2348466,7.46
+CO/C=C\[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C,CHEMBL2348465,7.04
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CC#N)CC[C@H]21,CHEMBL2348464,7.06
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CI)CC[C@H]21,CHEMBL2348463,6.46
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21,CHEMBL2348462,7.92
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21,CHEMBL2346682,6.59
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL2348461,7.4
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](C=O)CC[C@H]21,CHEMBL2348460,7.7
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](C=O)CC[C@H]21,CHEMBL2348459,7.59
+CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(=O)CC[C@H]21,CHEMBL2348458,6.6
+COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O,CHEMBL2442645,5.38
+CCCCC/C=C\CC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442643,6.8
+CCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1,CHEMBL2442642,4.62
+CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442641,6.26
+CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL2442640,5.93
+CCCCCCC/C=C/C=C/C(=O)NCC(C)C,CHEMBL426912,6.05
+CC(C)CC(=O)OC/C=C\CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442639,4.99
+O=C(/C=C/C=C/C=C/c1cccs1)N1C=CCCC1,CHEMBL2442638,4.87
+O=C(/C=C/C=C/C=C/c1cccs1)N1CCCCC1,CHEMBL2442637,5.91
+CC(C)CNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442636,5.08
+CC(C)CCNC(=O)/C=C/C=C/C=C/c1cccs1,CHEMBL2442635,5.3
+CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104354,7.39
+CCCCOC(=O)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104358,8.21
+CCCCOC(=O)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104356,8.35
+CCCCOC(=O)C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1,CHEMBL3104362,8.52
+CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,CHEMBL3104360,8.68
+CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21,CHEMBL408430,8.47
+Cc1c2n(c(=O)c3cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c13)CCCC2,CHEMBL3234708,8.32
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCOC(=O)C[C@@H]21,CHEMBL3265175,6.1
+CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)OC[C@@H]21,CHEMBL3265176,6.1
+Cc1ccc2c(c1)oc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290442,7.89
+Cc1ccc2c(c1)oc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3286437,7.53
+Cc1ccc2c(c1)oc1c(C(=O)NN3CCOCC3)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290443,7.42
+Cc1ccc2c(c1)oc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290444,7.81
+Cc1ccc2c(c1)oc1c(C(=O)NC3C4CC5CC(C4)CC3C5)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290445,7.76
+Cc1ccc2c(c1)oc1c(C(=O)NC34CC5CC(CC(C5)C3)C4)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290446,7.55
+Cc1ccc2c(c1)oc1c(C(=O)N[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290447,8.64
+Cc1ccc2c(c1)oc1c(C(=O)N[C@@H]3CC4CC([C@H]3C)C4(C)C)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290448,8.43
+Cc1ccc2c(c1)oc1c(C(=O)N[C@H]3CC4CC[C@]3(C)C4(C)C)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290449,8.46
+Cc1ccc2c(c1)oc1c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)nn(-c3ccc(Cl)cc3Cl)c12,CHEMBL3290450,8.6
+Cc1cc2c(s1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL3331461,8.14
+Cc1cc2c(s1)Cc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL3331462,7.42
+Cc1cc2c(s1)Cc1c(C(=O)NN3CCCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL3331463,8.96
+Cc1cc2c(s1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL3331464,8.64
+Cc1cc2c(s1)Cc1c(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)nn(-c3ccc(Cl)cc3Cl)c1-2,CHEMBL3331460,8.29
+Cc1csc2c1-c1c(c(C(=O)NN3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331459,6.24
+Cc1csc2c1-c1c(c(C(=O)NN3CCCCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331458,6.49
+Cc1csc2c1-c1c(c(C(=O)NN3CCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331457,6.09
+Cc1csc2c1-c1c(c(C(=O)NC3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331456,6.3
+Cc1csc2c1-c1c(c(C(=O)NN3CCOCC3)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331455,6.13
+Cc1csc2c1-c1c(c(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331454,8.17
+Cc1csc2c1-c1c(c(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)nn1-c1ccc(Cl)cc1Cl)C2,CHEMBL3331453,8.28
+Cc1ccc(Cn2nc(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)c3c2-c2cc(C)sc2C3)cc1,CHEMBL3331452,8.32
+Cc1ccc(Cn2nc(C(=O)NN3CCCCC3)c3c2-c2c(C)csc2C3)cc1,CHEMBL3331451,6.9
+Cc1ccc(Cn2nc(C(=O)NN3CCCCCC3)c3c2-c2c(C)csc2C3)cc1,CHEMBL3331450,7.16
+Cc1ccc(Cn2nc(C(=O)NN3CCCC3)c3c2-c2c(C)csc2C3)cc1,CHEMBL3331449,6.29
+Cc1ccc(Cn2nc(C(=O)NC3CCCCC3)c3c2-c2c(C)csc2C3)cc1,CHEMBL3331448,6.72
+Cc1ccc(Cn2nc(C(=O)NN3CCOCC3)c3c2-c2c(C)csc2C3)cc1,CHEMBL3331447,5.75
+Cc1ccc(Cn2nc(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)c3c2-c2c(C)csc2C3)cc1,CHEMBL3329244,8.57
+Cc1ccc(Cn2nc(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)c3c2-c2c(C)csc2C3)cc1,CHEMBL3329245,8.62
+CC1(C)Oc2cc(C34CC5CC(CC(C(N)=O)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416120,6.02
+COC(=O)NC12CC3CC(C1)CC(c1cc(O)c4c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]41)(C3)C2,CHEMBL3416121,8.68
+CC1(C)Oc2cc(C34CC5CC(CC(C#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416122,8.55
+CC1(C)Oc2cc(C34CC5CC(CC(N=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416124,7.5
+CC1(C)Oc2cc(C34CC5CC(CC([N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416125,7.42
+CC1(C)Oc2cc(C34CC5CC(CC(CC#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416126,8.36
+CC1(C)Oc2cc(C34CC5CC(CC(CN=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416128,7.46
+CC1(C)Oc2cc(C34CC5CC(CC(C[N-][N+]#N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,CHEMBL3416129,7.58
+CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF,CHEMBL3582019,6.4
+CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC,CHEMBL3582018,6.61
+COC1CN(c2ccc(C(=O)NCC3(O)CCCCC3)nc2OCC2CC2)C1,CHEMBL3582016,5.65
+COC1CN(c2ccc(C(=O)NC(C)(C)Cc3nnc(-c4ccc(F)cc4)o3)nc2OCC2CC2)C1,CHEMBL3582015,6.3
+COC1CN(c2ccc(C(=O)OC(C)(C)c3cc(N)on3)nc2OCC2CC2)C1,CHEMBL3582014,5.64
+COC1CN(c2ccc(C(=O)NC3(CC(N)=O)COC3)nc2OCC2CC2)C1,CHEMBL3582013,5.51
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)N1CC(F)C1,CHEMBL3582012,8.16
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCCF,CHEMBL3582011,5.28
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF,CHEMBL3582010,6.38
+CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NC,CHEMBL3582009,7.22
+CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1,CHEMBL3582008,8.74
+CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1,CHEMBL3582024,7.41
+CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1,CHEMBL3582025,7.16
+COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1,CHEMBL3582026,7.9
+CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1,CHEMBL3582027,7.93
+CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1,CHEMBL3582028,6.39
+CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1,CHEMBL3582021,5.98
+CCCCCCC(C)(C)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1,CHEMBL3605054,9.22
diff --git a/chembl_200/CHEMBL5407.csv b/chembl_200/CHEMBL5407.csv
new file mode 100644
index 0000000000000000000000000000000000000000..a62f43693fc9e29eb99d91e647b841342b57badf
--- /dev/null
+++ b/chembl_200/CHEMBL5407.csv
@@ -0,0 +1,345 @@
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.9
+Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1,CHEMBL573339,5.3
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.7
+CN(C)Cc1nc(=O)c2sc3ccc(/C=C/C4CC4)cc3c2[nH]1,CHEMBL576387,9.7
+CN(C)Cc1nc2c(sc3ccc(-c4ccccc4)cc32)c(=O)[nH]1,CHEMBL583273,9.52
+CN(C)Cc1nc2c(sc3ccc(-c4cccc(Cl)c4)cc32)c(=O)[nH]1,CHEMBL582844,9.15
+CCc1ccc(-c2ccc3sc4c(=O)[nH]c(CN(C)C)nc4c3c2)cc1,CHEMBL572550,9.05
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(C#N)cc4)cc32)c(=O)[nH]1,CHEMBL573702,9.0
+CN(C)Cc1nc2c(sc3ccc(-c4ccc(O)cc4)cc32)c(=O)[nH]1,CHEMBL585182,9.3
+O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(Br)cc12,CHEMBL584161,8.4
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccccc3)cc12,CHEMBL572781,9.52
+O=c1[nH]c(CN2CC[C@H](O)C2)nc2c1sc1ccc(-c3ccc(O)cc3)cc12,CHEMBL583187,9.4
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,7.93
+O=c1[nH]c(CNCCc2ccccc2)nc2c1sc1ccc(Br)cc12,CHEMBL573929,7.37
+COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,CHEMBL475251,6.2
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,5.6
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.9
+O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)[nH][nH]c-2n1,CHEMBL1230164,5.7
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.2
+O=c1nc[nH]c2c(-c3ccccc3)c(C(F)(F)F)sc12,CHEMBL1982881,5.6
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,5.3
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.9
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.1
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.7
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.3
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.4
+CCOC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(=N)C(C#N)C1c1cccs1,CHEMBL1996893,5.2
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.7
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,CHEMBL362558,5.1
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,5.5
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.7
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.3
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,5.4
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.6
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.5
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.3
+O=C1CCCc2oc3cc(C(F)(F)F)ccc3c(=O)c21,CHEMBL2006493,5.7
+Clc1cc2n[nH]nc2cc1Cl,CHEMBL1996923,5.4
+O=c1nc[nH]c2c1oc1ccc(Cl)cc12,CHEMBL1992323,6.5
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,5.3
+c1ccc2c(c1)Cc1c[nH]nc1-2,CHEMBL1989423,4.4
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC,CHEMBL1996604,6.0
+CCCCNC1=NS(=O)N=C1Nc1ccc(F)cc1,CHEMBL1971694,5.8
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,7.4
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1C(F)(F)F,CHEMBL1981947,5.2
+O=C(O)c1cc(-c2cccs2)n2nccc2n1,CHEMBL1977619,5.9
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.7
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.9
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.9
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,5.2
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.9
+Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL1968103,5.3
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,6.1
+CC(=O)NC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2F)C1,CHEMBL1975208,5.25
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.5
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.6
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,5.4
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.3
+CN(c1ccc2n[nH]cc2c1)c1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O,CHEMBL1987899,5.1
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,5.9
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,6.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,5.2
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.4
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.6
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.2
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.4
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.3
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,8.1
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,5.1
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.5
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.4
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21,CHEMBL1977604,5.4
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,CHEMBL1981079,5.5
+CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1,CHEMBL1972276,6.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,5.8
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,6.5
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,6.4
+NC(=O)c1cccc2[nH]c(-c3cccc(NCCN4CCCC4)n3)nc12,CHEMBL1985309,6.0
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.2
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.9
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.9
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.1
+Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21,CHEMBL207400,5.2
+Cc1nsc2[nH]cc(C(=O)O)c(=O)c12,CHEMBL2002553,5.2
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.1
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,8.1
+Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1999126,5.9
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,5.2
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.8
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.3
+Cc1nn(C)c2sc(C(N)=O)cc12,CHEMBL1986588,4.3
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,6.3
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,5.9
+CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,CHEMBL422897,5.9
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,5.8
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,6.8
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.2
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,6.1
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.9
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.3
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,6.9
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.1
+NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982957,6.4
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,6.2
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,CHEMBL2002346,6.6
+Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2006836,5.8
+Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12,CHEMBL1980704,7.1
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.0
+Nc1cc2nc(-c3ccccc3)cn2cn1,CHEMBL1972365,4.2
+O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,7.2
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,5.1
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,5.4
+CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,CHEMBL220241,5.8
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,6.4
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.7
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,5.9
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.5
+CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,CHEMBL1989265,6.5
+CNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2Br)C1,CHEMBL2004647,5.8
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.5
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,6.3
+O=c1nc[nH]c2ccc(Br)cc12,CHEMBL562488,5.8
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.2
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC,CHEMBL1991434,6.8
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,6.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,7.3
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.5
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,6.0
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.5
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.8
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.3
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,5.1
+CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1,CHEMBL1968705,5.4
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.9
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,8.0
+O=C(Nc1ccccc1)Nc1ccccn1,CHEMBL143703,4.3
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,7.1
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,5.6
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,5.6
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.3
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,CHEMBL1983945,5.9
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,7.3
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.8
+CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1,CHEMBL1978448,5.6
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.4
+NC(=O)c1ccc2c(ccn2-c2cccc(Cl)c2)c1,CHEMBL1966354,5.4
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1,CHEMBL1973348,7.0
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,6.0
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,5.5
+c1cnc2nc(-c3ccc4n[nH]cc4c3)cn2c1,CHEMBL1682540,5.3
+Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,CHEMBL1978656,5.7
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.9
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,5.9
+O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,5.9
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,5.9
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,5.9
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.4
+CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccccc3)ccc2c1=O,CHEMBL1997839,5.5
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.5
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,5.4
+COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,CHEMBL1982167,6.4
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.6
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,5.5
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.5
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.9
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.0
+c1cnc2nc(-c3ccc4n[nH]cc4c3)c(NC3CCCCC3)n2c1,CHEMBL1682552,5.8
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,8.0
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,8.0
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.5
+Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,CHEMBL1967538,5.6
+Nc1nnc2ccc(-c3ccccc3)cn12,CHEMBL1987143,4.9
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.0
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,5.5
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,CHEMBL1969588,6.6
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,5.3
+COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1,CHEMBL1972937,6.4
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.3
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.3
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.7
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,6.5
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,5.6
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1991725,5.2
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,6.5
+Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,CHEMBL1974702,7.4
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.8
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,5.4
+O=c1oc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL1968646,5.8
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.3
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,5.2
+COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,CHEMBL483158,5.1
+CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21,CHEMBL468280,7.3
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,5.8
+Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL2006785,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,6.6
+Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,CHEMBL1076555,5.5
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,6.5
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.8
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,6.2
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.2
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,7.5
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,5.2
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.6
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.1
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,6.1
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.1
+O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3,CHEMBL1970806,6.1
+CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1,CHEMBL2006237,6.2
+O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1O,CHEMBL1972820,6.6
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.8
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.6
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,5.2
+N=C(N)Cc1cccc(-c2nc3ccccc3[nH]2)c1,CHEMBL2003622,5.4
+CC(C)(C)OC(=O)n1cc(-c2cncn2C2CCCCC2)c2ccccc21,CHEMBL1975357,5.8
+O=C1ON=C(c2ccc(Br)cc2)C1=Cc1ccc2c(c1)OCO2,CHEMBL1966068,5.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,7.5
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.6
+Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)[nH]c12,CHEMBL1984039,5.1
+N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1,CHEMBL2048872,9.64
+CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,CHEMBL1952329,7.62
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NC[C@H]3CCNC[C@@H]3F)nc12,CHEMBL2387465,10.72
+O=C(Nc1c[nH]c2ncc(-c3ccccc3F)cc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387463,10.66
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3(F)CCNCC3)nc12,CHEMBL2387462,10.44
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@@H]3CCNC[C@H]3F)nc12,CHEMBL2387479,10.66
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@H]3CCNC[C@@H]3F)nc12,CHEMBL2387478,10.21
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@H]3CCNC[C@H]3F)nc12,CHEMBL2387477,9.52
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NC[C@@H]3CCNC[C@@H]3F)nc12,CHEMBL2387476,9.59
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(OCC3CCNCC3)nc12,CHEMBL2387475,10.21
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(CCC3CCNCC3)nc12,CHEMBL2387474,10.6
+O=C(Nc1c[nH]c2ccc(-c3c(F)cccc3F)nc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387473,10.01
+O=C(Nc1c[nH]c2ccc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387472,9.85
+O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387471,10.66
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12,CHEMBL2387470,10.28
+O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12,CHEMBL2387469,9.72
+N#Cc1ccc(Cc2cc(=O)n3ncc(C(=O)Nc4c[nH]c5ncccc45)c3[nH]2)cc1,CHEMBL2387468,9.21
+N#Cc1ccc(Cc2cc(=O)n3ncc(C(=O)Nc4ccc(F)cc4)c3[nH]2)cc1,CHEMBL2387467,7.64
+O=C(Nc1ccc(F)cc1)c1cnn2c(=O)cc(C3CCNCC3)[nH]c12,CHEMBL2387466,8.27
+Nc1ccc(-c2ccccc2C(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103865,8.52
+Nc1nccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)n1,CHEMBL3103863,8.52
+Nc1ccc(-c2ccncc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103862,8.3
+Nc1ccc(-c2cccnc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103861,8.4
+Nc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103860,8.52
+Nc1ccc(Oc2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103859,7.82
+Nc1cccnc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103858,7.7
+Nc1nccnc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3103857,7.7
+NCC1CCCN(c2ccncc2NC(=O)c2nccnc2N)C1,CHEMBL3103880,7.3
+NCCC(=O)N1CCN(c2ccncc2NC(=O)c2nccnc2N)CC1,CHEMBL3103879,6.74
+NCC(=O)N1CCN(c2ccncc2NC(=O)c2nccnc2N)CC1,CHEMBL3103878,6.31
+Nc1nccnc1C(=O)Nc1cnccc1N1CCNCC1,CHEMBL3103877,6.0
+Nc1nccnc1C(=O)Nc1cnccc1N1CCCCC1,CHEMBL3103876,7.05
+CC(=O)Nc1nc(C(=O)Nc2cnc(N)cc2N2CCCCC2)cs1,CHEMBL3103875,5.77
+CC(=O)Nc1nc(C(=O)Nc2cnccc2N2CCCCC2)cs1,CHEMBL3103872,6.66
+CC(=O)Nc1nc(C(=O)Nc2ccncc2N2CCCCC2)cs1,CHEMBL3103871,6.85
+Nc1cccc(C(=O)Nc2ccccc2N2CCCCC2)n1,CHEMBL3103886,4.96
+Nc1cccnc1C(=O)Nc1ccccc1N1CCCCC1,CHEMBL3103884,4.92
+Nc1nccnc1C(=O)Nc1ccccc1N1CCCCC1,CHEMBL3103883,5.82
+CC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCCCC2)cs1,CHEMBL3103881,6.64
+c1cncc(-c2cc3c[nH]nc3cn2)c1,CHEMBL3634784,5.74
+O=C(Nc1cn[nH]c1)c1cccnc1,CHEMBL3634785,5.54
+Cc1[nH]nc2cnc(-c3cccnc3)cc12,CHEMBL3634786,6.52
+Cc1c[nH]c2cnc(-c3cccnc3)cc12,CHEMBL3634787,5.82
+Cc1[nH]nc2cnc(-c3cn[nH]c3)cc12,CHEMBL3634788,6.4
+Cc1[nH]nc2ccc(-c3cn[nH]c3)cc12,CHEMBL3634789,5.51
+c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)cc1,CHEMBL3634790,8.3
+Cc1[nH]nc2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12,CHEMBL3634792,5.3
+N[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1,CHEMBL3634793,8.22
+Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12,CHEMBL3634777,9.96
+Cc1[nH]nc2cnc(-c3cncc(N4CCC(N)CC4)n3)cc12,CHEMBL3634778,8.05
+NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1,CHEMBL3634779,10.0
+NCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1,CHEMBL3634780,9.7
+c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1,CHEMBL3634781,11.0
+Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1,CHEMBL3634782,10.43
+Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)n1,CHEMBL3634783,11.0
+CCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O,CHEMBL3634769,10.15
+Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634770,10.77
+N#CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634771,10.89
+c1cc(-c2n[nH]c3cnc(-c4cnn(CC5CC5)c4)cc23)nc(N2CCNCC2)c1,CHEMBL3634772,10.8
+c1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1,CHEMBL3634773,9.19
+NC(=O)Cc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1,CHEMBL3634774,6.94
+NC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)nnc-2c[nH]1,CHEMBL3634775,9.17
+CN1C(=O)CN(c2cc3c(-c4cccc(N5CCNCC5)n4)nnc-3c[nH]2)C1=O,CHEMBL3634776,8.48
+c1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1,CHEMBL3634763,9.0
+O=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1,CHEMBL3634764,8.85
+c1cc(-c2n[nH]c3cnc(N4CCOCC4)cc23)nc(N2CCNCC2)c1,CHEMBL3634765,8.36
+Cn1cc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)cn1,CHEMBL3634766,8.43
+Cn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634767,10.89
+Cn1cc(-c2cc3c(-c4cccc(C5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634768,9.92
+Cn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1,CHEMBL3634755,9.8
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634756,10.68
+Cn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634757,10.82
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1,CHEMBL3634758,10.82
+Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)[nH]nc3cn2)cn1,CHEMBL3634759,9.54
+CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1,CHEMBL3634761,10.39
+N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1,CHEMBL3676290,8.4
+C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1,CHEMBL3676300,8.4
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652630,9.52
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1NCC1CCNCC1,CHEMBL3652622,8.24
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3652638,11.0
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](N)CC1,CHEMBL3652640,9.61
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OCC1CCNCC1,CHEMBL3652628,8.97
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1OC1CCNCC1,CHEMBL3652629,8.3
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1,CHEMBL3652621,8.31
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3652639,9.53
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1,CHEMBL3652636,8.88
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1,CHEMBL3652627,9.8
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1,CHEMBL3652623,9.24
+CN[C@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3652645,9.75
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)CC1,CHEMBL3652633,9.02
+CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@@H](N)CC1,CHEMBL3652647,7.62
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1,CHEMBL3652648,9.13
+Cn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652634,6.67
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OC1CCNCC1,CHEMBL3652631,8.96
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1,CHEMBL3652625,9.47
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1,CHEMBL3652644,8.21
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](CN)C1,CHEMBL3652637,9.46
+Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)CC1,CHEMBL3652626,10.66
+Cn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1,CHEMBL3652624,8.58
+Cn1ncc(NC(=O)c2cncc(-c3ccccc3F)n2)c1N1CCC[C@H](N)CC1,CHEMBL3652641,7.47
+Cn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC[C@H](N)C1,CHEMBL3652632,7.17
+Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1,CHEMBL3652635,8.42
+Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1,CHEMBL3652646,7.72
+Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1N1CCC[C@@H](N)CC1,CHEMBL3652643,8.61
+Cn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1,CHEMBL3652620,8.06
+CN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1,CHEMBL3652642,8.28
+Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1,CHEMBL3652000,7.85
+Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1,CHEMBL3747207,8.52
+Nc1ccc(-c2ccccc2F)nc1C(=O)Nc1cnccc1-c1ccncc1,CHEMBL3793440,7.68
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)ccn1,CHEMBL3792428,8.52
+Nc1ccc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)cn1,CHEMBL3793600,7.92
+Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1-c1cccnc1N,CHEMBL3792552,7.44
+Nc1cncc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)n1,CHEMBL3792474,8.22
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)ncn1,CHEMBL3793221,8.3
+Nc1nccc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)n1,CHEMBL3793267,8.3
+Nc1cc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)nc(N)n1,CHEMBL3792905,7.82
diff --git a/chembl_200/CHEMBL5518.csv b/chembl_200/CHEMBL5518.csv
new file mode 100644
index 0000000000000000000000000000000000000000..1479e01705deb310ce67dc35d10344d38c609d98
--- /dev/null
+++ b/chembl_200/CHEMBL5518.csv
@@ -0,0 +1,342 @@
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.4
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,CHEMBL1336,5.8
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.8
+Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,CHEMBL1421,6.1
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.0
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,CHEMBL553,5.3
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,CHEMBL572878,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL223360,5.4
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,5.3
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,5.6
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,8.0
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.1
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.5
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.4
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,6.5
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.6
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,5.7
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,6.6
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,5.5
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,5.3
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,6.6
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,6.9
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,6.9
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.5
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1986943,8.5
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,5.6
+Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,CHEMBL2001646,5.8
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.0
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,6.5
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,5.3
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.8
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,5.3
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,5.6
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,5.9
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.6
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,5.7
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,6.3
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,5.2
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,6.0
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.9
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.9
+Brc1ccc2c(c1)-c1n[nH]cc1C2,CHEMBL1995172,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,5.8
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,7.2
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.3
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,5.8
+CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2001547,5.1
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.1
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.3
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,5.2
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,5.1
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,6.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.4
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.8
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1C(F)(F)F,CHEMBL1981947,5.6
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.0
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,7.2
+COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,CHEMBL461876,5.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,7.0
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.2
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,5.6
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,7.2
+Cc1[nH]nc2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,CHEMBL1998159,8.4
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.5
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.0
+N#Cc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1977128,5.8
+CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1)c1ccccc1,CHEMBL1990288,6.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,6.5
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,CHEMBL1974803,5.8
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.2
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,5.9
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,5.8
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.3
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,CHEMBL2002992,5.5
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,5.2
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.3
+CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1,CHEMBL1990635,5.1
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,5.4
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.0
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.5
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.4
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.5
+O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,5.6
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1Cl)c1ccccc1F,CHEMBL2001228,5.4
+Cc1ccc(Nc2c(C(=O)O)n(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C)c23)cc1,CHEMBL1978645,5.2
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,5.5
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.2
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,5.7
+Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,CHEMBL1971943,6.3
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,6.7
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,6.8
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,5.9
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,7.0
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,7.1
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,7.6
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,6.4
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.2
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.5
+Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,CHEMBL1990496,6.2
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.4
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.2
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.6
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,5.8
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,6.7
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,6.2
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,5.9
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,6.4
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.5
+CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1,CHEMBL1994040,5.3
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,7.5
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,5.5
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,7.0
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.4
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,5.3
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.0
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,5.9
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1Cl,CHEMBL1997503,6.3
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.8
+Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1,CHEMBL1990821,6.1
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,5.4
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,5.8
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,5.5
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.3
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.2
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.5
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.8
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,6.3
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,5.6
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.2
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,7.0
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.3
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.8
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,5.3
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,5.8
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,5.6
+CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CHEMBL458997,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,7.2
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,5.8
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.7
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.9
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,5.7
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,7.5
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,5.7
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,6.8
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,6.0
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.4
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.0
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.6
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,8.1
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,6.7
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,5.6
+Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1,CHEMBL1971430,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,5.6
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.1
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,5.8
+CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL1981410,5.9
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,5.6
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.5
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,5.6
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,5.5
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,6.5
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,5.9
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL592030,7.0
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,6.5
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.6
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.1
+Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,CHEMBL1964444,6.7
+OCCNc1cc2cc(-c3ccccc3)ccc2cn1,CHEMBL1989957,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.1
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.6
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.7
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,5.6
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.2
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,5.1
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,5.3
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,6.5
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,5.7
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.2
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.0
+Cc1[nH]nc2c1C(c1ccccc1F)C(C#N)C(=N)O2,CHEMBL1985507,5.3
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.8
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,6.6
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,5.7
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.1
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,6.2
+CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)O)[nH]c12,CHEMBL1982980,5.8
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,6.7
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,5.9
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,6.1
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.9
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,6.6
+Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1996500,5.3
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,6.3
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1977374,6.5
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.3
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,6.0
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,5.6
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.2
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.2
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.8
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,8.1
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,6.0
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.7
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.3
+OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1991674,8.4
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,7.0
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,5.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,5.8
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.1
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,5.6
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.4
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.6
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.2
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,8.2
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.2
+O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1,CHEMBL1614705,5.4
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,6.1
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,5.6
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,5.4
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.0
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,6.3
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.1
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.1
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,5.5
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,6.9
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.9
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.4
+CC(C)Oc1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1Cl,CHEMBL1995635,5.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,CHEMBL1974870,7.6
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.7
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.7
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1988995,5.7
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,5.4
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.7
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,7.4
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,6.0
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,5.7
+CC(C)Oc1ccc(-c2noc(-c3ccc(OCC(O)CO)cc3)n2)cc1Cl,CHEMBL2006113,5.2
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,6.4
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.1
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,6.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.6
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.3
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,7.4
+N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,CHEMBL1974157,5.5
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.5
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1991678,5.9
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,5.1
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,6.5
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,7.1
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.6
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,5.8
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,6.7
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,8.0
+CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL2007296,6.6
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,7.0
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,6.6
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.2
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,5.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,6.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.4
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,6.6
+O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,CHEMBL379975,8.9
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,5.6
+N#Cc1ccc2c(c1)C(c1ccc(CN3CCOCC3)cn1)C(=O)N2,CHEMBL1969664,5.2
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.4
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,5.9
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.5
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,6.4
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.1
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,6.4
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.3
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.8
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,6.1
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.2
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,5.9
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,5.8
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,6.5
+Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,CHEMBL1076555,5.6
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,5.4
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,CHEMBL1991063,7.7
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.1
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.9
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.7
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,7.3
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,5.5
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.5
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,6.8
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.2
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,CHEMBL1997846,8.2
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.2
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,5.8
+Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,CHEMBL1992937,5.9
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,6.9
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL95692,5.4
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.4
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.7
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.4
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,6.1
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.0
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.3
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.1
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,5.3
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,5.8
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.3
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,8.2
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.5
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,5.9
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,6.7
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1972849,7.0
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,CHEMBL377408,5.3
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,8.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.5
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,5.2
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,5.6
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,5.3
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,5.4
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,5.5
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.3
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.1
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.1
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,7.2
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,5.8
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.1
diff --git a/chembl_200/CHEMBL5888.csv b/chembl_200/CHEMBL5888.csv
new file mode 100644
index 0000000000000000000000000000000000000000..3ee201dee2318836b3cba195f03606e10116cb51
--- /dev/null
+++ b/chembl_200/CHEMBL5888.csv
@@ -0,0 +1,457 @@
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(F)(F)F,CHEMBL3700331,5.7
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1OCC2,CHEMBL3692358,7.28
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2,CHEMBL3692359,6.5
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1CCO2,CHEMBL3692360,7.48
+NC(=O)c1nc2c(s1)CCOc1ccc(C#CC3(O)CCCC3)cc1-2,CHEMBL3692361,8.4
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2,CHEMBL3692362,7.47
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1,CHEMBL3692363,9.52
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)no1,CHEMBL3692364,9.7
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(=O)CO2,CHEMBL3692366,6.67
+CN(C)C1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21,CHEMBL3692367,7.02
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(N1CCOCC1)CO2,CHEMBL3692368,6.38
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(O)CO2,CHEMBL3692369,7.03
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccc1F,CHEMBL3692370,6.07
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnccn1,CHEMBL3692372,7.44
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccn1,CHEMBL3692373,7.6
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)c(F)cc1OCC2,CHEMBL3692374,8.0
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)CO,CHEMBL3692376,6.11
+CC(C)(O)C#CC1CCC2OCC(C)(O)c3sc(C(N)=O)nc3C2C1,CHEMBL3692377,7.03
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(NC1CCC1)CO2,CHEMBL3639912,6.01
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1Cc1ccccc1,CHEMBL3692379,7.96
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1Cc1ccccc1F,CHEMBL3692380,7.92
+CC(=O)NC1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21,CHEMBL3692381,6.68
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2,CHEMBL3692382,7.24
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CO)on1,CHEMBL3692387,8.7
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C#N,CHEMBL3692388,6.76
+Cc1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692389,7.6
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cc[nH]n1,CHEMBL3692390,8.52
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1,CHEMBL3692391,7.43
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1C1CC2C1,CHEMBL3692392,8.52
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2C)OCCn2cc(C(N)=O)nc2-3)no1,CHEMBL3692393,7.21
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1,CHEMBL3692394,9.22
+NC(=O)c1nc2c(s1)CCOc1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3692395,9.7
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692396,8.52
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(CC(=O)O)CO2,CHEMBL3692397,7.49
+CN(C)C(=O)CC1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21,CHEMBL3692398,6.39
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cnn(CC(C)(C)O)c1,CHEMBL3692399,8.0
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cn[nH]c1,CHEMBL3692400,8.27
+Cn1ccnc1C(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2,CHEMBL3692401,6.62
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCOC3)c(F)cc1OCC2,CHEMBL3692402,6.67
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1CO,CHEMBL3692403,7.74
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(CC(N)=O)CO2,CHEMBL3692404,7.64
+CN(C)C(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692405,5.7
+CN(C)C(=O)C(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2,CHEMBL3692406,6.14
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(N)=O,CHEMBL3692407,5.44
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CCC1,CHEMBL3692408,6.98
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccn1,CHEMBL3692409,7.62
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nnc[nH]1,CHEMBL3692410,7.74
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CO,CHEMBL3692411,7.31
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)COC3)c(F)cc1OCC2,CHEMBL3692412,5.44
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC1COC1,CHEMBL3692413,8.22
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC1(C)COC1,CHEMBL3692414,7.6
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC(C)(C)C#N,CHEMBL3692415,6.98
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1,CHEMBL3692419,9.0
+CN(C)CCNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692420,7.06
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCCN1CCCC1,CHEMBL3692421,7.32
+CN1CCC(CNC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)C1,CHEMBL3692422,6.06
+COCC1(CNC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3692423,7.39
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCCN1CCOCC1,CHEMBL3692424,7.85
+CN1CCN(CCNC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3692425,8.3
+CN1CCC(NC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3692426,6.45
+CN1CCCC1CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692427,5.96
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1,CHEMBL3692428,8.0
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CF,CHEMBL3692429,8.1
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CC(CO)C3)c(F)cc1OCC2,CHEMBL3692430,5.64
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nc(CC#N)cs1,CHEMBL3692431,5.92
+CN1CCCC(NC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)C1,CHEMBL3692432,7.22
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC1CN2CCC1CC2,CHEMBL3692433,6.34
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC1CCOCC1,CHEMBL3692434,8.3
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC1CCOC1,CHEMBL3692435,8.1
+CN1CCC(NC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)C1,CHEMBL3692436,6.8
+CN1CC(NC(=O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)C1,CHEMBL3692437,6.96
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC1CCOCC1,CHEMBL3692438,8.22
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC#N,CHEMBL3692439,9.4
+COC(C)(C)CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692440,6.85
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC1CCOC1,CHEMBL3692441,7.43
+COCC(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2,CHEMBL3692442,7.17
+CC(O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CO,CHEMBL3692443,8.52
+CC(C)(O)C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2,CHEMBL3692444,8.3
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC1COC1,CHEMBL3692445,8.4
+CNC(=O)C(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2,CHEMBL3692446,5.85
+CC(O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1ccccn1,CHEMBL3692447,8.15
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NC1CC1,CHEMBL3692448,6.07
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CC(C#N)C1,CHEMBL3692449,6.52
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3692450,9.52
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3noc(C)n3)cc1-2,CHEMBL3692451,8.15
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3noc(C)n3)cc1-2,CHEMBL3692452,8.7
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3692453,9.0
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cn[nH]c1,CHEMBL3692454,6.83
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccc(F)cn1,CHEMBL3692455,5.46
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCOCC4)n2CCO3)no1,CHEMBL3692457,8.7
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3cn[nH]c3)n1CCO2,CHEMBL3692458,7.66
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(C#CC(C)(C)O)n1CCO2,CHEMBL3692459,6.54
+Cn1cc(-c2c(C(N)=O)nc3n2CCOc2ccc(C#CC(C)(C)O)cc2-3)cn1,CHEMBL3692460,8.0
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C(=O)NCC#N)no1,CHEMBL3692461,9.0
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(O)COC)cc1-2,CHEMBL3692462,8.4
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(O)CF)cc1-2,CHEMBL3692463,8.7
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3cc[nH]n3)n1CCO2,CHEMBL3692464,7.64
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(O)COC)cc1-2,CHEMBL3692465,8.15
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(O)CF)cc1-2,CHEMBL3692466,8.52
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCOCC3)n1CCO2)CF,CHEMBL3692467,7.7
+COCC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCOCC3)n1CCO2,CHEMBL3692468,7.14
+NC(=O)c1cn2c(n1)-c1cc(C#CC(O)(CF)CF)c(F)cc1OCC2,CHEMBL3692469,7.66
+NC(=O)c1nc2c(s1)CCOc1cc(F)c(C#CC(O)(CF)CF)cc1-2,CHEMBL3692470,8.52
+CC(O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CF,CHEMBL3692471,8.3
+Cc1ccnc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)c1,CHEMBL3692472,7.46
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1,CHEMBL3692474,9.0
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(O)CO)cc1-2,CHEMBL3692475,8.7
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(O)CO)cc1-2,CHEMBL3692476,8.52
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C(F)(F)F)no1,CHEMBL3639913,8.15
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(=O)O)nc1-2,CHEMBL3692477,8.52
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1,CHEMBL3692478,8.7
+Cn1nc(-c2ccncc2)nc1-c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692479,6.2
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1,CHEMBL3692480,8.52
+Cc1nc(-c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)n(CC(F)(F)F)n1,CHEMBL3692482,6.3
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc[nH]1,CHEMBL3692483,7.08
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)cn1C,CHEMBL3692484,5.64
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cccnn1,CHEMBL3692485,8.4
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc(F)cn1,CHEMBL3692486,5.4
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NCC(F)F,CHEMBL3692487,6.42
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3692489,8.1
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3noc(C)n3)cc1-2,CHEMBL3692490,7.29
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(O)CO)cc1-2,CHEMBL3692491,8.0
+CN1CCCC(O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O,CHEMBL3692492,8.7
+CN1CCCC(O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O,CHEMBL3692493,8.3
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(F)ccn1,CHEMBL3692495,7.8
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nccs1,CHEMBL3692496,8.7
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CC#N,CHEMBL3692497,5.89
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(O)c1cccc(C(F)(F)F)c1,CHEMBL3692498,7.72
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)no1,CHEMBL3692499,8.52
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CO,CHEMBL3692500,7.85
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)no1,CHEMBL3692501,9.52
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CF,CHEMBL3692502,8.51
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCc4cccnc43)ccc1OCC2,CHEMBL3692503,8.29
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CCOCC1,CHEMBL3692504,7.68
+Cc1nnc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)[nH]1,CHEMBL3692505,5.41
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CC(F)(F)C1,CHEMBL3692507,6.81
+CN1CCCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O,CHEMBL3692508,8.54
+CN1CCCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O,CHEMBL3692509,8.23
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ccccn1,CHEMBL3692511,8.17
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(O)c1cc(F)cc(F)c1,CHEMBL3692512,8.14
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1nnc[nH]1,CHEMBL3692513,7.57
+Cn1cc(C(O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)cn1,CHEMBL3692515,7.09
+Cn1cc([C@@H](O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)cn1,CHEMBL3692516,7.48
+Cn1cc([C@H](O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)cn1,CHEMBL3692517,7.48
+Cc1nn(C)cc1C(O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692519,7.64
+Cc1ncsc1C(O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692520,7.92
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nnc(-c2cccnc2)[nH]1,CHEMBL3692522,9.4
+CC(O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)CO,CHEMBL3692523,7.01
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ccccn1,CHEMBL3692524,8.15
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)CF,CHEMBL3692525,8.82
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(O)c3ccccn3)cc1-2,CHEMBL3692526,8.37
+COCC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1,CHEMBL3692527,8.01
+CC(O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)c1ccccn1,CHEMBL3692528,7.43
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1,CHEMBL3692529,7.66
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(O)c3ccccn3)cc1-2,CHEMBL3692530,8.92
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)CO,CHEMBL3692531,7.44
+CC(O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1nnc[nH]1,CHEMBL3692532,8.68
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1,CHEMBL3692533,8.48
+Cn1nccc1C(O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692534,8.82
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCc4cccnc43)c(F)cc1OCC2,CHEMBL3692537,9.05
+CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nc(C2CC2)no1,CHEMBL3692538,6.72
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3nnc(C4CC4)[nH]3)n1CCO2,CHEMBL3692539,8.62
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nc(C2CC2)no1,CHEMBL3692541,7.72
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCNC3=O)c(F)cc1OCC2,CHEMBL3692542,8.49
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CN(C(=O)OC(C)(C)C)C1,CHEMBL3692543,8.11
+COCC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CC1,CHEMBL3692544,7.85
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CC1,CHEMBL3692545,8.43
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1)CO,CHEMBL3692546,8.19
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C(F)(F)F,CHEMBL3692547,8.02
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(C(F)(F)F)n1CCO2,CHEMBL3692548,6.27
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1,CHEMBL3692549,9.3
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1,CHEMBL3692550,8.89
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)no1,CHEMBL3692551,8.31
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ncccn1,CHEMBL3692552,8.08
+CC(O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ncccn1,CHEMBL3692553,8.16
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1,CHEMBL3692554,8.77
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1,CHEMBL3692555,8.14
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(C(F)(F)F)n1C1CC2C1,CHEMBL3692556,7.59
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nnc(-c2cccnc2)[nH]1,CHEMBL3692557,9.11
+CC(O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1)CO,CHEMBL3692558,8.59
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3692559,9.21
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1nnc[nH]1,CHEMBL3692560,7.74
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3noc(C)n3)cc1-2,CHEMBL3692561,8.68
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)N(C)C)n2C2CC3C2)no1,CHEMBL3692562,7.52
+COCC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1,CHEMBL3692563,8.05
+CN(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3692564,6.22
+CN1CCN(Cc2c(C(N)=O)nc3n2C2CC(C2)c2cc(F)c(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3692565,6.92
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCOCC4)n2C2CC3C2)no1,CHEMBL3696523,8.96
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1[nH]c(C(N)=O)nc1-2,CHEMBL3696524,9.17
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)no1,CHEMBL3696525,9.51
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CC4(C)COC4)n2C2CC3C2)no1,CHEMBL3696526,8.92
+Cn1nccc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696527,8.14
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2-c2cnn(CC(C)(C)O)c2)no1,CHEMBL3696528,8.9
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CCCC1,CHEMBL3696529,7.57
+CC(C)N(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696530,6.8
+CC(C)NCc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696531,7.38
+CC(=O)N1CCN(Cc2c(C(N)=O)nc3n2C2CC(C2)c2cc(F)c(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3696532,7.59
+CN1CCC(O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O,CHEMBL3696533,9.28
+CN1CCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O,CHEMBL3696534,10.4
+CN1CCC(O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O,CHEMBL3696535,9.0
+Cc1ncc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)[nH]1,CHEMBL3639954,5.6
+CN(C)[C@@H]1COc2cc(F)c(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21,CHEMBL3696536,7.35
+CN(C)[C@H]1COc2cc(F)c(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21,CHEMBL3696538,7.35
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2CCO3)no1,CHEMBL3696539,8.66
+C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ccccn1,CHEMBL3696540,8.72
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC3(O)CCCCC3)cc1-2,CHEMBL3696541,8.24
+COCCNCc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696542,7.25
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2-c2cnn(CC(C)(C)O)c2)no1,CHEMBL3696543,9.15
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1CC1,CHEMBL3696544,8.68
+COCCN(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696545,6.64
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CCC(O)C1,CHEMBL3696546,7.37
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@](C)(O)c3ccccn3)cc1-2,CHEMBL3696547,6.01
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3ccccn3)cc1-2,CHEMBL3696548,9.08
+C[C@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC(C)(C)O)ccc2O1,CHEMBL3696549,6.105
+C[C@@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC(C)(C)O)ccc2O1,CHEMBL3696550,6.105
+Cn1nccc1Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696551,8.62
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1,CHEMBL3696552,8.89
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C(C)(C)O,CHEMBL3696553,9.3
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1Cc1ccccc1Cl,CHEMBL3696554,8.68
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696555,9.92
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC3(O)CCCC3)cc1-2,CHEMBL3696556,8.97
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccc1F,CHEMBL3696557,7.6
+Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@@H](N(C)C)c2sc(C(N)=O)nc2-3)no1,CHEMBL3696559,8.555
+Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@H](N(C)C)c2sc(C(N)=O)nc2-3)no1,CHEMBL3696561,8.555
+Cn1nccc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696562,8.18
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccnn4C)n2C2CC3C2)no1,CHEMBL3696563,8.92
+Cn1nccc1Cc1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696564,7.62
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696565,8.66
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O,CHEMBL3696566,9.62
+CN1CC[C@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O,CHEMBL3696567,6.68
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(-c4cnn(CC(C)(C)O)c4)n2C2CC3C2)no1,CHEMBL3696568,9.23
+CN1CCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O,CHEMBL3696569,8.4
+Cc1nnc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)o1,CHEMBL3696570,7.55
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2[nH]c(C(N)=O)nc2-3)no1,CHEMBL3696572,9.7
+Cn1nccc1Cc1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696573,8.11
+C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)c1[nH]c(C(N)=O)nc1-2)c1ncccn1,CHEMBL3696574,8.59
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1,CHEMBL3696575,9.15
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696576,9.92
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1,CHEMBL3696577,8.89
+CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O,CHEMBL3696578,7.17
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O,CHEMBL3696579,10.26
+C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nnc(C2CC2)[nH]1)c1ncccn1,CHEMBL3696580,8.33
+Cn1cncc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696581,7.735
+C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3nnc(C4CC4)[nH]3)n1CCO2)c1ncccn1,CHEMBL3696582,8.14
+Cn1cncc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696583,7.955
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)no1,CHEMBL3696584,9.3
+Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696585,8.11
+Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3ncccn3)cc1-2,CHEMBL3696586,9.8
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3ccccn3)cc1-2,CHEMBL3696588,8.68
+Cc1cc(-c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#C[C@@](C)(O)c4noc(C)n4)cc2-3)n[nH]1,CHEMBL3696590,8.06
+CC(C)(O)Cn1cc(-c2c(C(N)=O)nc3n2C2CC(C2)c2ccc(C#CC4(O)CCCC4)cc2-3)cn1,CHEMBL3696591,8.34
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnc[nH]1,CHEMBL3696592,9.0
+C#Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1,CHEMBL3696593,8.89
+CC(=O)N1CCN(Cc2c(C(N)=O)nc3n2CCOc2ccc(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3696594,6.68
+CN1CCN(Cc2c(C(N)=O)nc3n2CCOc2ccc(C#CC(C)(C)O)cc2-3)CC1,CHEMBL3696595,6.02
+CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccccc4Cl)n2C2CC3C2)C1=O,CHEMBL3696596,6.0
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)C1=O,CHEMBL3696599,8.92
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)C1=O,CHEMBL3696600,8.6
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C=O)on1,CHEMBL3696601,6.57
+CC(=O)N1CC(c2c(C(N)=O)nc3n2C2CC(C2)c2ccc(C#CC4(O)CCCC4)cc2-3)C1,CHEMBL3696602,8.22
+CN1CCC(O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2Cc2ccnn2C)C1=O,CHEMBL3696603,8.21
+Cn1nccc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696604,8.35
+CN1CCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C#CC4(O)CCN(C)C4=O)n2C2CC3C2)C1=O,CHEMBL3696606,7.77
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CN(C(=O)C5CC5)C4)n2C2CC3C2)C1=O,CHEMBL3696607,7.92
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccccc4Cl)n2C2CC3C2)C1=O,CHEMBL3696608,8.89
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C(O)c1ccn[nH]1,CHEMBL3696609,7.66
+NC(=O)c1nc2n(c1C(O)c1ccn[nH]1)C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696610,7.89
+C=Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1,CHEMBL3696611,7.8
+NC(=O)c1nc2n(c1C1CC1)C1CC(C1)c1cc(F)c(C#CC3(O)CCNC3=O)cc1-2,CHEMBL3696614,8.17
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC=O,CHEMBL3696618,8.31
+Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3ncccn3)cc1-2,CHEMBL3696619,7.92
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1(O)CCC1,CHEMBL3696621,7.56
+CC(C)(O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)ccc1-2,CHEMBL3696622,8.05
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(C)(C)O)no1,CHEMBL3696624,8.24
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(C)(C)O)C1=O,CHEMBL3696625,8.16
+Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3696629,8.54
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)C1=O,CHEMBL3696631,8.25
+NC(=O)c1nc2n(c1C1CC1)C1CC(C1)c1cc(F)c(C#C[C@@]3(O)CCNC3=O)cc1-2,CHEMBL3696634,6.57
+NC(=O)c1nc2n(c1C1CC1)C1CC(C1)c1cc(F)c(C#C[C@]3(O)CCNC3=O)cc1-2,CHEMBL3639955,8.82
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1(O)COC1,CHEMBL3696635,8.15
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1(O)CN(C(=O)C2CC2)C1,CHEMBL3696636,8.28
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCCC3)n1CCO2,CHEMBL3696637,6.0
+COCCN(C)Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696638,5.85
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCCC3=O)n1CCO2,CHEMBL3696639,7.06
+COc1ncc(F)cc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696640,7.785
+COc1ncc(F)cc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696641,7.87
+COc1ncc(F)cc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696642,8.26
+COc1ncc(F)cc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2,CHEMBL3696643,8.26
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3cccn3)n1CCO2,CHEMBL3696644,6.92
+Cn1nccc1C(O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(O)c3ncccn3)cc1-2,CHEMBL3696647,8.21
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(O)c4ccnn4C)n2C2CC3C2)no1,CHEMBL3696648,8.54
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1CCC1,CHEMBL3696651,8.08
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC3(O)CCC3)cc1-2,CHEMBL3696652,9.7
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC3(O)CCC3)cc1-2,CHEMBL3696653,9.15
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2CNC(=O)C2CC2)no1,CHEMBL3696654,8.48
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)c(F)cc1C1CC2C1,CHEMBL3696655,9.28
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C(C)(C)C,CHEMBL3696656,7.77
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1(O)CC1,CHEMBL3696657,8.34
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1CC1(F)F,CHEMBL3696658,8.51
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCC3)cc1-2,CHEMBL3696659,9.4
+NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)ccc1C1CC2C1,CHEMBL3696660,8.43
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC3(O)CCC3)cc1-2,CHEMBL3696661,8.66
+CC(=O)N(Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2)C(C)C,CHEMBL3696662,8.6
+COCCNCc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696664,6.33
+Cc1nccn1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696665,7.03
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccc3F)n1CCO2,CHEMBL3696666,7.09
+Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696667,7.7
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3ncc4ccccc43)n1CCO2,CHEMBL3696668,6.85
+Cn1nccc1Cc1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(O)c3ncccn3)cc1-2,CHEMBL3696669,8.89
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccnn4C)n2C2CC3C2)no1,CHEMBL3696670,9.7
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1sc(C(N)=O)cc1-2,CHEMBL3696673,6.96
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccc3Cl)n1CCO2,CHEMBL3696674,7.89
+Cc1cc(C(C)(O)C#Cc2ccc3c(n2)-n2cc(C(N)=O)nc2CCO3)no1,CHEMBL3696675,6.68
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C#N)on1,CHEMBL3696676,7.19
+CC(O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CC#N)on1,CHEMBL3696677,8.52
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CC[C@@H](O)C3)n1CCO2,CHEMBL3696678,6.64
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3ncc4cccnc43)n1CCO2,CHEMBL3696679,6.7
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3nnc(C4CC4)s3)n1C1CC2C1,CHEMBL3696680,8.52
+Cn1nccc1Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2,CHEMBL3696681,8.7
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1c-2nc(C(N)=O)n1Cc1ccccc1Cl,CHEMBL3696682,8.44
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3ncc4ccc(C#N)cc43)n1CCO2,CHEMBL3696684,6.74
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3cc4ccc(C#N)cc4n3)n1CCO2,CHEMBL3696685,6.77
+Cc1nc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2CN2CCCC2)no1,CHEMBL3696686,7.59
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2CN2CCCC2)no1,CHEMBL3696687,8.35
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2CN2CCCC2)C1=O,CHEMBL3696688,8.21
+Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3696689,9.06
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nnco1,CHEMBL3696690,8.0
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CC(CO)O3)no1,CHEMBL3696692,8.52
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCCC4)n2C2CC3C2)C1=O,CHEMBL3696694,8.05
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3cnc4ccccc43)n1CCO2,CHEMBL3696696,7.77
+CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1c-2nc(C(N)=O)n1C(F)F,CHEMBL3696699,9.52
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nncs1,CHEMBL3696701,8.12
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cn4c(C)nc5ccccc54)n2CCO3)no1,CHEMBL3696702,8.96
+Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3696703,9.15
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)C1=O,CHEMBL3696704,8.72
+CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3696705,9.3
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)C1=O,CHEMBL3696706,9.14
+CC(C)NC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3696707,8.92
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCOCC4)n2CCO3)C1=O,CHEMBL3696708,9.14
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(COc4ccccc4Cl)n2C2CC3C2)C1=O,CHEMBL3696709,8.96
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCCC4)n2C2CC3C2)no1,CHEMBL3696710,7.92
+Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3696711,8.16
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)no1,CHEMBL3696712,8.74
+Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3ncccn3)cc1-2,CHEMBL3696713,8.62
+Cc1cc(C(C)(O)C#Cc2cc3c(cc2F)OCCc2cc(C(N)=O)sc2-3)no1,CHEMBL3696715,7.38
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCc2cc(C(N)=O)sc2-3)C1=O,CHEMBL3696716,8.16
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3696717,8.85
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@H](F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3696719,8.85
+C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21,CHEMBL3696721,9.335
+C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21,CHEMBL3696722,9.335
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1,CHEMBL3696726,8.34
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CC2)CO3)C1=O,CHEMBL3696731,9.08
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](O)(CF)CO3)C1=O,CHEMBL3696732,9.07
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](O)(CF)CO3)C1=O,CHEMBL3639388,9.07
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](F)CO3)C1=O,CHEMBL3700167,8.67
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](O)CO3)C1=O,CHEMBL3700168,8.25
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](F)CO3)C1=O,CHEMBL3700174,8.72
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](O)CO3)C1=O,CHEMBL3700175,8.245
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](F)CO3)no1,CHEMBL3700176,7.51
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](F)(CO)CO3)C1=O,CHEMBL3700178,8.68
+C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)cc21,CHEMBL3700180,8.83
+Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(C)CO3)o1,CHEMBL3700181,7.41
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2CCO3)C1=O,CHEMBL3700183,8.68
+C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)cc21,CHEMBL3700185,8.92
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](O)(CC#N)CO3)C1=O,CHEMBL3700188,8.545
+CN1CCC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)C1=O,CHEMBL3700190,8.77
+Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](C)CO3)no1,CHEMBL3700191,8.28
+CNC(=O)c1c(C(N)=O)nn2c1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700193,8.92
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](O)(CC#N)CO3)C1=O,CHEMBL3700194,8.545
+Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](C)CO3)no1,CHEMBL3700196,8.28
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700201,9.1
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@](C)(O)CO3)no1,CHEMBL3700203,7.575
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2[C@@H](F)CO3)C1=O,CHEMBL3700204,8.575
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CO)CO3)C1=O,CHEMBL3700205,8.82
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@](C)(O)CO3)no1,CHEMBL3700209,7.575
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2[C@H](F)CO3)C1=O,CHEMBL3700210,8.575
+C[C@]1(F)COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-c2nc(C(N)=O)sc21,CHEMBL3700211,7.84
+CNC(=O)c1c(C(N)=O)nn2c1[C@H](F)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700213,9.065
+CNC(=O)c1c(C(N)=O)nn2c1[C@@H](F)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3700214,8.79
+CNC(=O)c1c(C(N)=O)nn2c1CCOc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3700215,8.85
+CNC(=O)c1c(C(N)=O)nn2c1[C@@H](F)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700216,9.065
+CNC(=O)c1c(C(N)=O)nn2c1[C@H](F)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3700217,8.79
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(C)(O)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700219,8.92
+CNC(=O)c1c(C(N)=O)nn2c1[C@H](C)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3700220,8.78
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2[C@@](C)(O)CO3)C1=O,CHEMBL3700222,7.615
+C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@](C)(F)CO2)c1ncccn1,CHEMBL3700223,7.84
+CNC(=O)c1c(C(N)=O)nn2c1[C@@H](C)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2,CHEMBL3700226,8.78
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2[C@](C)(O)CO3)C1=O,CHEMBL3700228,7.615
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2(CO3)CC2(F)F)C1=O,CHEMBL3700229,8.945
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2(CO3)OCCO2)C1=O,CHEMBL3700230,8.59
+CNC(=O)c1c(C(N)=O)nn2c1[C@@H](C)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700231,8.875
+CNC(=O)c1c(C(N)=O)nn2c1[C@H](C)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700233,8.875
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NCC4COC4)n2CCO3)no1,CHEMBL3700234,8.59
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NCc4cccnc4)n2CCO3)no1,CHEMBL3700235,9.0
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NCC4CCOCC4)n2CCO3)no1,CHEMBL3700236,8.48
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCC(F)(F)CC4)n2CCO3)no1,CHEMBL3700237,7.59
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)N[C@H]4CCOC4)n2CCO3)no1,CHEMBL3700238,7.825
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)N[C@@H]4CCOC4)n2CCO3)no1,CHEMBL3700239,7.825
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC[C@H]4CCOC4)n2CCO3)no1,CHEMBL3700240,8.345
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC[C@@H]4CCOC4)n2CCO3)no1,CHEMBL3700241,8.345
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC(C)(C)CN4CCOCC4)n2CCO3)no1,CHEMBL3700242,7.62
+CN(C)C(=O)[C@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1,CHEMBL3700243,6.13
+CN(C)C(=O)C1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1,CHEMBL3700244,6.13
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CC(CN2CCOCC2)O3)no1,CHEMBL3700247,6.55
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)C1=O,CHEMBL3700254,9.03
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1,CHEMBL3700255,8.74
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](CO)CO3)C1=O,CHEMBL3700260,9.005
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](CO)CO3)C1=O,CHEMBL3700261,9.005
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)no1,CHEMBL3700264,8.17
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(O)CO3)no1,CHEMBL3700265,7.62
+C[C@@]1(O)COc2ccc(C#CC3(O)CCCC3)cc2-c2nc(C(N)=O)sc21,CHEMBL3700268,7.175
+C[C@]1(O)COc2ccc(C#CC3(O)CCCC3)cc2-c2nc(C(N)=O)sc21,CHEMBL3700269,7.175
+C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2)c1ncccn1,CHEMBL3700270,8.15
+CN1CCC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCOCC4)n2CCO3)C1=O,CHEMBL3700271,8.4
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)(F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700272,9.7
+NC(=O)c1nc2c(s1)C(F)(F)COc1ccc(C#C[C@]3(O)CCNC3=O)cc1-2,CHEMBL3700273,9.01
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)C1=O,CHEMBL3700276,9.31
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)C1=O,CHEMBL3700277,9.31
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@](C)(F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700278,8.87
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@](C)(F)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700279,8.87
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CC4)n2C2CC3C2)C1=O,CHEMBL3700280,7.8
+CC(C)NC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700281,7.57
+CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,CHEMBL3700282,7.82
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](O)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700283,9.12
+CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@H](O)c2sc(C(N)=O)nc2-3)C1=O,CHEMBL3700284,9.12
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)F)n2C2CC3C2)C1=O,CHEMBL3700288,9.11
+CC(C)(O)C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2,CHEMBL3700293,6.1
+Cc1nc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1,CHEMBL3700294,7.35
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)no1,CHEMBL3700295,8.96
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1,CHEMBL3700296,8.18
+C[C@@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1C(F)(F)CO2)c1cccnn1,CHEMBL3700301,5.8
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2CCO3)C1=O,CHEMBL3700302,9.09
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](F)(CF)CO3)C1=O,CHEMBL3700303,9.135
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CF)CO3)C1=O,CHEMBL3700304,9.135
+C[C@@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-n2nc(C(N)=O)cc21,CHEMBL3700305,7.4
+C[C@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-n2nc(C(N)=O)cc21,CHEMBL3700306,7.4
+NC(=O)c1cc2n(n1)-c1cc(C#CC3(O)CCCC3F)ccc1OCC2,CHEMBL3700307,5.85
+NC(=O)c1cc2n(n1)-c1cc(C#CC3(O)CCCC3O)ccc1OCC2,CHEMBL3700308,5.85
+CC(O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2)C1CCCO1,CHEMBL3700309,6.0
+CC(O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1ncns1,CHEMBL3700311,5.68
+C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1ncns1,CHEMBL3700312,7.19
+C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1ncns1,CHEMBL3700313,8.92
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CNC3COC3)n1CCO2,CHEMBL3700314,9.27
+CC(C)NCc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2,CHEMBL3700315,8.38
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccn3)n1CCO2,CHEMBL3700316,6.435
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(COc4ccccc4Cl)n2CCO3)no1,CHEMBL3700317,6.435
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCC(C#N)C3)n1CCO2,CHEMBL3700319,8.72
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CC[C@@H](C#N)C3)n1CCO2,CHEMBL3700320,5.85
+CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCC(=O)C3)n1CCO2,CHEMBL3700321,5.85
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCOCC4)n2CCO3)no1,CHEMBL3700322,6.0
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(COC2)CO3)C1=O,CHEMBL3700324,8.48
+NC(=O)c1cc2n(n1)-c1cc(C#CC3(O)CCCC3)ccc1OCC21COC1,CHEMBL3700325,7.0
+Cc1cc(C(C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)no1,CHEMBL3700326,8.1
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)C1=O,CHEMBL3700327,9.3
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)F)c2CCO3)C1=O,CHEMBL3700328,9.52
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2C(F)(F)CO3)C1=O,CHEMBL3700329,9.4
+CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(CO)c2CCO3)C1=O,CHEMBL3700330,9.0
diff --git a/chembl_200/CHEMBL6166.csv b/chembl_200/CHEMBL6166.csv
new file mode 100644
index 0000000000000000000000000000000000000000..4f4c186d6a6e069703269fb4d9fd13c7db3bc91b
--- /dev/null
+++ b/chembl_200/CHEMBL6166.csv
@@ -0,0 +1,642 @@
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,CHEMBL574738,6.8
+CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1,CHEMBL215152,5.5
+Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,CHEMBL103667,6.8
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,CHEMBL522892,7.6
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,CHEMBL939,6.0
+Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,CHEMBL477772,6.5
+Oc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL278041,6.0
+CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL10,6.4
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,CHEMBL24828,6.8
+O=c1nc[nH]c2c1sc1c(Cl)ccc(Cl)c12,CHEMBL583144,6.095
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1,CHEMBL1164180,5.7
+CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1,CHEMBL1164265,6.7
+Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,6.2
+COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,CHEMBL491473,5.9
+COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,CHEMBL509032,6.5
+Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,CHEMBL1516890,6.5
+COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,CHEMBL514499,6.6
+Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,CHEMBL1964290,5.9
+O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)[nH][nH]c-2n1,CHEMBL1230164,5.3
+Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,5.9
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,CHEMBL1987034,7.2
+CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1993941,6.7
+COc1cccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,CHEMBL1980435,6.0
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,CHEMBL1989293,6.1
+Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL2005886,7.3
+NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F,CHEMBL481491,5.1
+CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,CHEMBL1973142,6.1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,CHEMBL1980407,8.3
+COc1cccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)c1,CHEMBL2007009,5.2
+COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,CHEMBL1982924,6.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL2005936,6.2
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1966628,7.2
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1995813,7.5
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,CHEMBL1993781,5.3
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(Cc6ccccc6)nn5)c4c3)nn2)cc1,CHEMBL1964288,7.0
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL244378,7.2
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1,CHEMBL2001957,5.1
+COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1969372,5.9
+O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1,CHEMBL1993413,5.6
+c1ccc(Nc2ncnc3ccccc23)cc1,CHEMBL289959,4.4
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,CHEMBL2006263,6.6
+CN(C)CCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1988662,6.1
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1993584,6.5
+CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,CHEMBL1986263,7.4
+CSc1c[nH]c2ncnc(NCCCO)c12,CHEMBL2000114,6.0
+CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,CHEMBL1971172,6.8
+O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,6.3
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,CHEMBL1968380,6.2
+COc1ccccc1C(=O)Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1997643,7.1
+CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,CHEMBL1991734,6.3
+CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,CHEMBL1977681,6.7
+CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,CHEMBL1970142,7.5
+OCCNc1cc2cc(-c3cccnc3)ccc2cn1,CHEMBL1990912,6.5
+Nc1[nH]nc2ncc(Br)cc12,CHEMBL2002105,4.1
+CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1983348,5.8
+C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,CHEMBL1976040,5.8
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,7.4
+Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,4.8
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,CHEMBL1969735,5.3
+COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2,CHEMBL2002649,7.3
+NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1983589,7.9
+Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,CHEMBL1985367,6.3
+O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12,CHEMBL1996510,6.7
+CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL2005718,7.6
+CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1967998,6.2
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,CHEMBL1994321,6.3
+NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1984788,6.4
+O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,4.5
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC,CHEMBL1996604,5.4
+Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,CHEMBL1989471,5.5
+Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,CHEMBL2000508,6.7
+CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2001547,5.6
+Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1,CHEMBL1986603,6.9
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,CHEMBL1977148,5.7
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,CHEMBL1966842,5.5
+COc1cc(C=C2SC(=O)NC2=O)ccc1O,CHEMBL2003286,5.6
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1,CHEMBL1992306,5.0
+CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL2002165,7.0
+NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,5.5
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,6.1
+CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,CHEMBL519697,5.7
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,CHEMBL2004934,5.2
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,CHEMBL1987261,6.8
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1C(F)(F)F,CHEMBL1981947,5.1
+CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1968459,7.8
+N#Cc1ccc2nc(N)n(-c3nc4c(s3)CCCC4)c2c1,CHEMBL1996345,7.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,6.3
+Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1,CHEMBL1996048,7.4
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,CHEMBL2001485,6.9
+Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,4.7
+COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC,CHEMBL1997335,6.4
+CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1966425,5.2
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4n[nH]c(N)c34)cc2)ccc1F,CHEMBL1984363,5.2
+CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,CHEMBL1978099,5.9
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4n[nH]cc4c3)c(=O)c2=O)c1,CHEMBL1988608,5.3
+Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,CHEMBL184847,5.5
+CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,CHEMBL1984367,6.0
+CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985723,6.8
+O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,CHEMBL178737,5.5
+COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,CHEMBL1982563,5.6
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,CHEMBL539474,6.4
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1987679,6.0
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,CHEMBL1988387,7.5
+Oc1cnc2ccc(-c3ccncc3)cc2c1,CHEMBL1973868,6.0
+CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1)c1ccccc1,CHEMBL1990288,6.45
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1,CHEMBL1989708,6.95
+CN(C)C1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1965702,6.6
+CC(C)(C)Oc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2002456,6.6
+Cc1[nH]n(-c2cccc(Br)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL2005112,5.1
+O=c1cc(-c2ccncc2)[nH]c(NC2CCCCC2)n1,CHEMBL1958401,6.3
+CCN(CC)CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,CHEMBL1984044,6.0
+O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,CHEMBL2003456,5.7
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,7.7
+CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1972584,5.4
+N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,CHEMBL560813,6.3
+CCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21,CHEMBL207253,5.8
+Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1,CHEMBL1968791,5.3
+Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)NCCOCCOCCN)[nH]c12,CHEMBL2002682,5.5
+Cc1cc(=O)nc2[nH][nH]c(-c3cccc(-c4cccc(C#N)c4)c3)c1-2,CHEMBL1985129,5.3
+Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,CHEMBL1971186,5.7
+CC(=O)Nc1cc2ccccn2n1,CHEMBL1976872,4.2
+CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2006456,6.9
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,CHEMBL1973211,6.1
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1984700,5.6
+CN(c1ccc2n[nH]cc2c1)c1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O,CHEMBL1987899,5.1
+O=C(Nc1ccc2n[nH]cc2c1)c1cccc(F)c1,CHEMBL1461728,5.2
+CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12,CHEMBL1999120,4.0
+c1cc2cc(-c3ccc4c[nH]nc4c3)cnc2[nH]1,CHEMBL1976134,6.8
+Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,CHEMBL1965131,5.9
+CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,CHEMBL1999279,7.8
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,6.3
+Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,CHEMBL2006580,5.7
+CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1999414,5.5
+Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,4.7
+NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,5.5
+NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,CHEMBL1993424,6.6
+Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,CHEMBL243518,6.7
+CC(C)N(C)C(=O)c1c(-c2ccc3n[nH]cc3c2)nnn1Cc1ccccc1,CHEMBL1969561,5.2
+CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,CHEMBL1994555,5.5
+NC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1C(F)(F)F,CHEMBL1997554,7.6
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1983640,5.8
+CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,CHEMBL1997023,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1964687,5.4
+CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1974254,7.2
+c1ccc(CNc2nc(Nc3cc(C4CC4)n[nH]3)c3sccc3n2)cc1,CHEMBL1997924,7.1
+COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,CHEMBL1988537,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,CHEMBL2005828,6.4
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,CHEMBL2002240,5.1
+CN(C)c1c(NC(=O)Cc2ccccc2)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1971485,5.8
+CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,CHEMBL363648,7.6
+CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1980178,6.8
+NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,CHEMBL1998611,6.5
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,CHEMBL1975900,5.3
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,CHEMBL1973098,5.7
+CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12,CHEMBL2006778,8.5
+Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,CHEMBL1981511,6.1
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,7.3
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12,CHEMBL1997025,6.2
+CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1968406,5.5
+O=c1[nH]c2cc(Br)cnc2[nH]1,CHEMBL1975921,4.3
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,5.9
+Fc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3n[nH]cc3c2)cc1,CHEMBL1682558,6.4
+NC(=O)c1cc2ccncc2s1,CHEMBL1971534,4.6
+Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,CHEMBL1990496,6.7
+COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998068,8.0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,5.6
+Nc1nc2ncc(-c3ccccc3)cn2n1,CHEMBL2002480,4.3
+O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,5.9
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,5.4
+Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,CHEMBL1982992,5.7
+Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,CHEMBL1999590,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,CHEMBL1978166,6.1
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,CHEMBL1980489,5.2
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,CHEMBL2000832,6.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1,CHEMBL1967116,7.0
+Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,CHEMBL513846,5.4
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,CHEMBL1996176,6.6
+OCc1cc(-c2ccc3n[nH]cc3c2)on1,CHEMBL1974617,4.7
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,CHEMBL1965660,5.8
+COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,CHEMBL1992125,5.9
+COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC,CHEMBL1998112,5.4
+NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,7.4
+CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,CHEMBL1969126,7.2
+Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,5.0
+CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,CHEMBL1970104,6.5
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,7.3
+O=C1NS(=O)(=O)c2ccc(Cl)cc21,CHEMBL1967612,4.2
+NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,CHEMBL1964777,5.9
+CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1,CHEMBL1994040,5.8
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,CHEMBL1980995,8.8
+Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1984548,7.4
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL1967302,6.2
+COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,CHEMBL1982506,5.4
+CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2004716,6.5
+CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1,CHEMBL1968127,5.4
+COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,CHEMBL1975233,5.8
+CCCC(=O)Nc1[nH]nc2ccc(-c3cccc(F)c3F)cc12,CHEMBL1985406,5.8
+Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL2000894,5.7
+Nc1nnc2cncc(Cl)n12,CHEMBL1968130,4.3
+Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,CHEMBL1982135,5.7
+Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,6.1
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12,CHEMBL1993243,7.4
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,6.7
+OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1992922,6.4
+CCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1997597,5.1
+S=c1[nH]nc2n1-c1n[nH]c(=S)n1-c1sc3c(c1-2)CCC3,CHEMBL1969537,6.1
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,5.6
+CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1,CHEMBL210032,5.4
+Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1,CHEMBL508928,6.6
+COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1,CHEMBL1991356,6.8
+CS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL2004892,5.3
+O=c1nc[nH]c2c(Cl)cccc12,CHEMBL1949855,4.9
+CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)n2)cc1Cl,CHEMBL1997503,6.6
+Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1972339,6.6
+NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,CHEMBL116070,5.9
+CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1968340,5.5
+NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12,CHEMBL1970314,5.9
+OCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1,CHEMBL2004871,5.4
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,5.6
+O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,CHEMBL1967704,7.1
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,CHEMBL1993548,6.1
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,CHEMBL262433,5.2
+Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CHEMBL306380,5.8
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,5.4
+Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,CHEMBL1988581,6.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,CHEMBL1975500,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1,CHEMBL394619,5.6
+CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3[nH]cnc3n2)cc1,CHEMBL2006564,5.8
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,5.4
+Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,6.9
+Nc1[nH]nc2c(-c3ccccc3)cccc12,CHEMBL1991008,4.6
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,CHEMBL1980253,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,CHEMBL1965988,6.1
+CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1,CHEMBL1969221,7.1
+Cc1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL1989646,6.0
+Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1978200,6.2
+CC(=O)c1cccc(-c2ccc3nccn3n2)c1,CHEMBL1994159,4.1
+COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O,CHEMBL1970522,6.0
+O=C(Nc1[nH]nc2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,5.6
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,CHEMBL1966087,5.2
+Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,CHEMBL1986767,5.9
+Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,CHEMBL1964692,6.1
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,5.5
+CCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1998470,6.1
+CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1996980,8.2
+CCCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL1970735,5.2
+COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,CHEMBL1975903,6.1
+Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,CHEMBL1994669,7.4
+CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,CHEMBL2004365,6.0
+COc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL117697,4.6
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,CHEMBL482967,6.6
+Cn1cc(-c2ccncn2)c(-c2ccc(F)cc2)n1,CHEMBL1989474,5.4
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,7.3
+O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,CHEMBL226232,7.0
+O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,6.7
+N#Cc1ccc2nc(N)n(-c3nccs3)c2c1,CHEMBL1988805,5.9
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,CHEMBL1965836,8.2
+NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,CHEMBL1974310,5.9
+O=C(Nc1ccc(-c2ccc3c[nH]nc3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,5.9
+COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,CHEMBL1982660,7.2
+Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,5.9
+O=C1c2ccccc2-c2n[nH]c3cccc1c23,CHEMBL1725279,6.5
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,5.4
+Clc1ccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)cc1,CHEMBL2005767,5.9
+NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,CHEMBL2003271,6.1
+CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,CHEMBL49120,7.1
+CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,CHEMBL1983111,7.0
+OCCNc1cc2cc(-c3ccsc3)ccc2cn1,CHEMBL1973860,6.4
+O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,CHEMBL2004544,5.7
+CCCCNc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1983157,6.5
+O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,CHEMBL1982610,5.1
+CN(C)CCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,CHEMBL1989569,5.7
+FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,CHEMBL1966040,7.5
+c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1,CHEMBL375293,5.2
+Nc1ccc(-c2csc3c(C=Cc4nc5ccccc5[nH]4)cnc(N)c23)cc1,CHEMBL1988300,6.5
+COc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,CHEMBL1991078,6.3
+C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12,CHEMBL1977749,6.2
+Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,5.0
+O=c1[nH][nH]c2ccc(Br)cc12,CHEMBL2001613,4.7
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,CHEMBL565612,6.8
+NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,CHEMBL1993904,5.6
+NC1CCCCC1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1994438,7.1
+Cc1cccc(-c2cccc3onc(N)c23)c1,CHEMBL1980376,5.0
+O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)C1CC1c1ccccc1,CHEMBL1969502,6.5
+CCCCOc1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL1996447,6.6
+CC(C)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682553,5.5
+Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1,CHEMBL1971430,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1,CHEMBL1983963,6.4
+COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,CHEMBL1997764,6.7
+O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,6.1
+Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,CHEMBL1985092,6.0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,CHEMBL1981133,5.3
+COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC,CHEMBL1991434,5.8
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,CHEMBL1967544,5.2
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,CHEMBL223367,6.3
+O=c1nc2ccc(Cl)cc2c2nc[nH]n12,CHEMBL1992673,4.3
+CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,CHEMBL1983268,5.7
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,CHEMBL340384,6.1
+CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1969151,7.4
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1996587,7.1
+COC(=O)c1c(N)nc2ccccn12,CHEMBL1981492,4.9
+CC(C)NC1=NNC(=O)C1=Cc1cc2ccccc2[nH]1,CHEMBL1988692,6.2
+Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,6.4
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,CHEMBL1964804,5.9
+COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,CHEMBL443962,6.3
+COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,CHEMBL2000354,6.3
+Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1965507,7.6
+Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL274064,6.1
+CCCC(=O)Nc1[nH]nc2nc3ccccc3cc12,CHEMBL1967564,5.1
+OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL2000071,7.2
+Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1970317,6.2
+Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,CHEMBL2000408,5.8
+N#Cc1ncc2nc1OCCCCOc1cc(NCc3cncs3)c(Cl)cc1NC(=O)N2,CHEMBL248757,7.2
+O=C(NCc1ccccc1)c1cnn2c(=O)cc(-c3ccncc3)[nH]c12,CHEMBL1974250,7.0
+CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1,CHEMBL1997007,5.5
+O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,5.4
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1983195,5.6
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,5.1
+OCCNc1cc2cc(-c3ccccc3)ccc2cn1,CHEMBL1989957,6.1
+Clc1csc2ncnc(Nc3ccccc3)c12,CHEMBL1986139,5.2
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12,CHEMBL1980540,7.2
+CN(C)c1cc(-c2ccncc2)cc2n[nH]c(N)c12,CHEMBL2003229,7.0
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,CHEMBL1979883,6.2
+COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,CHEMBL1984162,5.4
+Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,CHEMBL1988331,8.4
+COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1,CHEMBL1997051,5.5
+NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1998432,7.6
+Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,CHEMBL491758,6.1
+O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,5.6
+Cc1[nH]nc2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,CHEMBL1998826,6.9
+Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,CHEMBL1996791,5.1
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,CHEMBL371206,5.0
+COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,CHEMBL1974664,6.3
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,5.7
+c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL482538,5.4
+c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,CHEMBL213207,7.7
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,CHEMBL196363,6.1
+Cc1nn(C)c2sc(C(N)=O)c(N)c12,CHEMBL1996837,4.0
+COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,CHEMBL1190711,7.0
+CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL1964441,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL404367,6.0
+CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1,CHEMBL1966343,5.5
+Cc1[nH]nc2ccc(-c3cncc(OCCN)c3)cc12,CHEMBL1967887,7.7
+CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL2000568,6.3
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,CHEMBL2000335,6.0
+Fc1cccc(-c2c[nH]c3ncccc23)c1,CHEMBL1993648,8.5
+CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,CHEMBL1084546,6.2
+Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1,CHEMBL1988717,5.4
+Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1,CHEMBL1974328,7.3
+NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,CHEMBL1971951,5.9
+O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Cl)cc1,CHEMBL1973808,6.0
+CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL2000429,5.7
+Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1,CHEMBL1972576,7.3
+CCCS(=O)(=O)Nc1ccc(-c2ccc3n[nH]c(N)c3c2)cc1,CHEMBL1992342,5.1
+O=c1cc(-c2ccncc2)[nH]c(NCc2cc(F)cc(F)c2)n1,CHEMBL2003682,7.2
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CHEMBL1988173,6.2
+Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,CHEMBL1973013,5.6
+C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12,CHEMBL535331,5.6
+N#CC1C(=N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,CHEMBL1989805,6.5
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,5.9
+CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL1965423,7.5
+CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,CHEMBL1983025,5.6
+FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,CHEMBL1999153,7.7
+c1ccc(Cn2nnc(-c3ccc4n[nH]cc4c3)c2-c2ccccc2)cc1,CHEMBL1969473,6.1
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,5.3
+O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,6.2
+COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1985654,7.7
+Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,4.2
+CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,CHEMBL1977138,6.2
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,CHEMBL1241473,7.8
+NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,5.6
+CNCCOc1cncc(-c2ccc3n[nH]c(C)c3c2)c1,CHEMBL1983855,7.1
+O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,CHEMBL1980329,7.7
+c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,CHEMBL2004515,5.4
+CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12,CHEMBL2001257,5.9
+Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,CHEMBL1987793,5.2
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,CHEMBL1994724,5.3
+COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,CHEMBL1989267,6.6
+OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,CHEMBL2002373,5.7
+Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,5.8
+CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,CHEMBL1970913,5.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,CHEMBL2004631,6.0
+CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CCC(N)C4)cc3)nc12,CHEMBL1995736,5.2
+COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4n[nH]c(C)c4c3)s2)c1,CHEMBL1997534,7.2
+C#Cc1cn(C2CCCC2)c2ncnc(N)c12,CHEMBL1993877,5.6
+NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3n[nH]cc3c2)c2nc(N)ncc21,CHEMBL1985095,7.1
+Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1996500,5.6
+CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1998551,6.3
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12,CHEMBL1977374,6.5
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,CHEMBL1983315,6.8
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,CHEMBL1976420,6.4
+CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOCC3CC3)c2)CC1,CHEMBL2002446,6.1
+O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,CHEMBL497151,6.4
+Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1,CHEMBL2000029,5.4
+NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,CHEMBL246970,6.0
+Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,CHEMBL340921,5.5
+COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,CHEMBL1996646,5.9
+CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1995712,6.5
+O=C1Nc2ccccc2Nc2nnc(I)cc21,CHEMBL1977346,5.2
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1,CHEMBL1971649,5.5
+c1ccc(-c2cccc3nccn23)cc1,CHEMBL1992723,4.5
+O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl,CHEMBL2005482,6.8
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O,CHEMBL1996702,5.8
+NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,CHEMBL1975440,7.4
+OCCNc1cc2cc(-c3ccncc3)ccc2cn1,CHEMBL1998435,5.9
+Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1,CHEMBL2006439,6.9
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,CHEMBL2006156,5.4
+N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,CHEMBL1985681,6.5
+COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12,CHEMBL1969190,5.5
+Cc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)[nH]nc12,CHEMBL1973937,5.8
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,CHEMBL1982711,7.3
+Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,6.1
+CC(C)COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL1984842,5.4
+CCc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL2004118,5.7
+COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,CHEMBL1994241,7.4
+CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2,CHEMBL2007044,6.3
+CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,CHEMBL223460,6.8
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,6.7
+O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,7.4
+CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1995211,5.5
+Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,CHEMBL1988838,6.2
+CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1,CHEMBL1981725,7.0
+NC(=O)c1ccc(NC2CCCCC2N)nc1Nc1cccc(Cl)c1,CHEMBL1982753,6.5
+Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CHEMBL1972346,6.3
+CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1980562,7.3
+CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1,CHEMBL1991818,5.5
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,CHEMBL1965170,6.1
+COCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1,CHEMBL1982866,5.6
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12,CHEMBL2005792,5.9
+c1ccc(CSc2nnc(-c3ccncc3)[nH]2)cc1,CHEMBL1968926,5.5
+Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CHEMBL462120,5.3
+Nc1[nH]nc2nc(Cl)sc12,CHEMBL1991867,4.3
+O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3,CHEMBL2007592,5.2
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,6.6
+COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,CHEMBL1972355,5.3
+CC(C)(O)c1cn(-c2ccc3n[nH]cc3c2)nn1,CHEMBL2001641,4.4
+OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1976936,8.0
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,CHEMBL1082440,5.9
+O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1,CHEMBL1614705,6.0
+c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,CHEMBL1982400,7.4
+Clc1cc(-c2c[nH]c3ncccc23)ncn1,CHEMBL1972988,6.1
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,CHEMBL1965845,7.3
+CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,CHEMBL1983715,6.5
+O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,7.0
+NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,CHEMBL1986597,6.2
+NC(=O)c1cccc2nc(-c3ccncc3)[nH]c12,CHEMBL1990482,6.0
+Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,CHEMBL1990904,6.6
+O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,5.4
+Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,7.0
+Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,CHEMBL402846,5.7
+Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O,CHEMBL1997349,5.9
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)c1,CHEMBL220057,5.8
+c1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cs2)cc1,CHEMBL1682545,6.3
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,CHEMBL1974935,6.4
+CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1976732,6.2
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,CHEMBL1982982,5.7
+CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005216,7.8
+CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,CHEMBL1969506,5.8
+CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12,CHEMBL1980763,5.4
+O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,6.8
+CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,CHEMBL1977931,4.3
+COc1cncc(C=Cc2ccncc2)c1,CHEMBL1972568,5.7
+CC(C)Oc1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1Cl,CHEMBL1995635,5.3
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,CHEMBL1987745,6.1
+Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,CHEMBL2002702,6.7
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,7.6
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,CHEMBL1970903,7.3
+Fc1cccc(CNc2ncnc3nc[nH]c23)c1,CHEMBL2003785,4.1
+NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1973720,7.7
+Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,CHEMBL1969523,6.6
+CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1988995,6.4
+CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,CHEMBL1986781,5.8
+O=c1nc(-c2ccccc2)cc(-c2ccc3n[nH]cc3c2)[nH]1,CHEMBL526133,6.2
+Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,CHEMBL1230122,5.6
+O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,6.1
+COCCOCC#Cc1cc(-c2[nH]nc3c2C(=O)c2cc(CN4CCN(C)CC4)ccc2-3)cs1,CHEMBL387971,5.7
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1999428,5.8
+Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,CHEMBL211378,5.9
+Nc1[nH]nc2ccc(-c3cc(Cc4ccccc4)no3)cc12,CHEMBL1682358,6.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,CHEMBL1982465,6.0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,8.4
+Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1,CHEMBL1984586,5.5
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,CHEMBL1970217,5.6
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,CHEMBL2005528,6.2
+CC(C)Oc1ccc(-c2noc(-c3ccc(OCC(O)CO)cc3)n2)cc1Cl,CHEMBL2006113,5.7
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1,CHEMBL185569,6.4
+COc1cc(-c2ccc3n[nH]c(C(=O)Nc4ccccc4)c3c2)ccc1O,CHEMBL2007002,7.9
+CN1CCC(NC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)CC1,CHEMBL1987007,5.6
+O=S(=O)(Nc1ccc2c(c1)C(=NO)c1ccccc1-2)c1cccc(Br)c1,CHEMBL1973793,5.4
+COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,CHEMBL1984711,5.3
+Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,CHEMBL1967878,7.3
+CCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL484390,5.4
+Nc1ncnc2sccc12,CHEMBL1972934,4.6
+O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,6.0
+COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,CHEMBL2004290,7.0
+Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,6.1
+O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,5.6
+NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12,CHEMBL1089101,5.7
+NC(=O)c1ccc(-c2ccncc2)cc1NCc1ccccc1,CHEMBL2001477,5.4
+Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1,CHEMBL2004311,5.1
+Brc1cnc2[nH]cc(-c3ccccc3)c2c1,CHEMBL1992634,8.1
+Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,CHEMBL1242373,5.6
+Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL316264,6.2
+Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1988075,6.6
+Cc1ccccc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4ccccc4)c3)nc3sccn23)n1,CHEMBL1988076,5.8
+Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1991678,5.7
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,6.3
+Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,7.1
+CN(C)c1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1992363,6.8
+NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,CHEMBL253969,6.8
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,6.0
+CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,CHEMBL1985074,5.1
+NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,6.1
+Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,7.1
+CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1982271,7.9
+CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,CHEMBL189963,5.9
+CCOc1nc(NC(C)=O)cc(N)c1C#N,CHEMBL208637,5.3
+O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3n[nH]cc3c2)n1,CHEMBL396523,6.9
+Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1,CHEMBL1970203,7.2
+O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,6.3
+CC(=O)c1cccc(-c2cnc3ccccc3c2)c1,CHEMBL2007336,5.9
+CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12,CHEMBL1968590,6.5
+c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,CHEMBL385478,8.4
+CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1,CHEMBL2005375,5.6
+Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,CHEMBL1984191,6.2
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,CHEMBL1971029,7.8
+Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,CHEMBL1980592,5.3
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,5.5
+O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,CHEMBL226471,7.6
+Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1965589,5.7
+c1cc2c(s1)CCc1c[nH]nc1-2,CHEMBL2001539,4.4
+Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,CHEMBL1997041,5.1
+Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,CHEMBL1988153,6.2
+O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,CHEMBL2003637,6.2
+O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3c[nH]nc3c2)n1,CHEMBL1986666,5.7
+CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)[nH]nc2c1,CHEMBL1988437,6.8
+O=c1oc2ccccc2c2nc(-c3ccccc3)[nH]c12,CHEMBL1968646,5.3
+Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,CHEMBL1979577,6.3
+NCCC(C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,5.2
+Nc1ncnc2c1C(=O)NCCN2,CHEMBL1992607,4.5
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1,CHEMBL1991800,5.4
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,CHEMBL1979357,5.2
+OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1989006,8.4
+CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,CHEMBL1996817,7.5
+Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1,CHEMBL1990884,5.1
+CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C,CHEMBL1990885,7.5
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL256835,7.4
+COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2,CHEMBL2006276,5.9
+COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12,CHEMBL271381,5.9
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1,CHEMBL1982466,7.3
+NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,CHEMBL1973359,6.4
+COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,CHEMBL1995740,5.5
+N#Cc1ccc(C(=O)Nc2[nH]nc3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1,CHEMBL1990162,5.3
+CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL1992220,8.2
+CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1,CHEMBL1979690,6.4
+Cc1n[nH]c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12,CHEMBL1998414,5.1
+COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,CHEMBL1995832,6.1
+Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,CHEMBL1969042,6.6
+COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O,CHEMBL2000345,7.4
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,CHEMBL1999931,7.7
+Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,CHEMBL1076555,6.0
+C(=Cc1ccc2nccn2n1)c1ccccc1,CHEMBL1988622,5.1
+O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,6.2
+Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,CHEMBL1375418,5.1
+Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,CHEMBL2007064,6.8
+COC(C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,CHEMBL1981047,5.7
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,CHEMBL1976240,5.7
+CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,CHEMBL1987948,6.7
+O=C1Cc2cc(-c3ccccc3)cnc2N1,CHEMBL1983630,4.1
+O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,5.2
+COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,CHEMBL1979093,5.5
+COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,CHEMBL1987009,6.2
+Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,CHEMBL2002726,8.2
+O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,5.7
+Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,6.6
+O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,CHEMBL226403,6.8
+CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12,CHEMBL2005631,6.6
+Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,7.6
+Nc1cc(=O)[nH]n1-c1ccccn1,CHEMBL1995765,4.2
+NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,5.8
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO,CHEMBL1236126,5.3
+CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21,CHEMBL2004419,5.6
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,5.7
+O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1,CHEMBL1972489,5.2
+Brc1ccc2n[nH]c(-c3ccccc3)c2c1,CHEMBL1994074,7.0
+NC(=O)c1cccc2c[nH]nc12,CHEMBL451401,4.3
+CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL1968930,7.3
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1986328,5.7
+COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL95692,6.1
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,5.6
+O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,5.2
+Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1,CHEMBL1983923,5.4
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,6.1
+O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1,CHEMBL1970950,6.2
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,CHEMBL1982361,5.1
+CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,CHEMBL1999112,5.8
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,CHEMBL1982122,6.1
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,CHEMBL1991395,5.7
+O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,7.0
+Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,6.3
+O=C(Nc1[nH]nc2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,6.3
+O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3c[nH]nc3c2)c1,CHEMBL1983393,6.2
+Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,5.8
+CN(C)c1ccc(Nc2cc(-c3csc(Br)c3)n[nH]2)cc1,CHEMBL1984236,5.9
+O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,5.3
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,CHEMBL1375640,5.8
+N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1,CHEMBL249282,6.8
+Cc1[nH]nc2ccc(-c3cccnc3)cc12,CHEMBL1967252,5.6
+CN(C)c1c(NC(=O)c2c(F)cccc2F)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1,CHEMBL1992473,5.9
+OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1970821,8.5
+CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,CHEMBL2004637,5.3
+O=c1[nH]c2ccccc2n2cc(-c3ccc(Cl)cc3)cc12,CHEMBL1974094,5.8
+CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,CHEMBL1967720,6.7
+CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,CHEMBL2005509,7.9
+CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12,CHEMBL1979516,6.4
+CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,CHEMBL1989029,5.8
+CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,CHEMBL392642,6.5
+Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,CHEMBL1980144,7.0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,CHEMBL1991188,5.1
+CCCCNc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12,CHEMBL1682554,5.8
+CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,CHEMBL1972849,6.7
+COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,CHEMBL1986855,8.1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,5.7
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,5.7
+O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,CHEMBL1989136,5.9
+CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1,CHEMBL2006765,6.2
+CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,CHEMBL1997617,6.6
+CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,CHEMBL1969301,6.4
+CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1,CHEMBL1982383,5.9
+CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1,CHEMBL17370,6.2
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,5.3
+COc1ccc2c(NC(=O)Nc3cccc(Br)n3)ccnc2c1,CHEMBL1983932,8.0
+O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,5.3
+Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,7.3
+Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,CHEMBL1991285,5.6
+Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1,CHEMBL1997822,7.4
+O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,6.7
+O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,6.8
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,CHEMBL1993661,6.4
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,CHEMBL2004615,5.1
+O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,6.8